diff --git a/projects/.dockerignore b/projects/.dockerignore
index 16fa8f992102d0f97e3109cd038748ba7b03bed5..feb008a38d86d4f864ae2262c26154424c3384b8 100644
--- a/projects/.dockerignore
+++ b/projects/.dockerignore
@@ -9,5 +9,8 @@
# Test data is not part of the Docker image. If needed, mount at run time.
**/test*
+# Exclude example data.
+**/example*
+
# Exclude history files from interactive Docker container sessions
\.history
\ No newline at end of file
diff --git a/projects/README.template b/projects/README.template
index 300b8b378e356a9d18c6637e20f8c08557b13ff7..d648de995c3bed69dfee51943d6cd39fcd21ea81 100644
--- a/projects/README.template
+++ b/projects/README.template
@@ -2,10 +2,16 @@
<link to project in MA>
+<link to project publication>
+
<hint if this is part of a multi-model-type project>
<very concise project description>
<how are the ModelCIF files created using this software>
-These models qualify as "<model type>".
\ No newline at end of file
+These models qualify as "<model type>".
+
+## Tips & Tricks for writing a protject's README.md
+
+- when mentioning taxa, put them italic using '\*' like \*Taxon\*
diff --git a/projects/human-heterodimers-w-crosslinks/README.md b/projects/human-heterodimers-w-crosslinks/README.md
new file mode 100644
index 0000000000000000000000000000000000000000..73a40bdc99f0a75ae26e03116423f825c85908ce
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/README.md
@@ -0,0 +1,66 @@
+# Modelling protein-interactions of human proteins with experimental crosslinking information
+
+[Link to project in ModelArchive](https://www.modelarchive.org/doi/10.5452/ma-low-csi) (incl. background on project itself)
+
+**I.O.U. the link to the publication**
+
+This project consists of around 800 dimer models (vast majority heteros) for the human reference proteome. Modelling was done with [ColabFold](https://colabfold.mmseqs.com)/ [LocalColabFold](https://github.com/YoshitakaMo/localcolabfold). Model selection is special in a sense that for some heterodimers experimental crosslinking data is available guiding the choice, otherwise top-ranking models are used.
+
+These models qualify as "de novo modelling".
+
+
+### Project setup
+
+- Used [ColabFold](https://colabfold.mmseqs.com)/ [LocalColabFold](https://github.com/YoshitakaMo/localcolabfold)
+- Produce dimers
+
+
+### Input
+
+- One directory per modelling targets
+- PDB files of models
+- ColabFold configuration
+- ColabFold scores as JSON
+
+
+### Output
+
+- Without `--selected_rank`, each PDB file in a directory will be turned into ModelCIF
+- An accompanying Zip archive per model with pairwise alignment errors (PAE)
+- With `--selected_rank`, each PDB file in a directory will be turned into ModelCIF
+- All ModelCIF files but the selected one will be stored in the accompanying Zip archive of the selected model
+- PAE files will also go into the Zip archive of the selected model
+
+
+### Special features
+
+- For changed sequences of UniProtKB entries by an UniProtKB update
+ - Search history of an UniProtKB entry for a matching sequence
+ - Version in ModelCIF will be with the latest matching sequence
+ - Please note: this mechanism is only and solely meant for different versions of UniProtKB sequences, it is not usable with user modified sequences, user modified sequences will make the conversion script crash
+- Converter script is able to deal with selenocysteine (missing residue in models/ not modelled by ColabFold)
+- Uses UniProtKB AC if gene name is missing for a UniProtKB entry
+
+
+### Usage
+
+- The [conversion script](./translate2modelcif.py) runs on a single target (modelling project) directory, if you have multiple targets, like in a whole proteome, you need to loop over the directory and call the script for each separately
+- Output can be written either to the model directory or a separated directory (`--out-dir`)
+- In this project, for each dimer only one model is stored at [ModelArchive](https://modelarchive.org/) (MA) but the other models for the same dimer are stored in a Zip archive that goes into MA with the model (`--selected-rank`)
+- Following our [Docker README](../docker/README.md), the conversion can be called like this:
+ ```terminal
+ $ docker run --rm -v /home/user/models:/data -t converter:latest convert2modelcif --selected_rank 1 Q9Y5J9-Q9Y5L4/
+ ```
+ for a target directory `Q9Y5J9-Q9Y5L4`
+
+### Content
+
+|Path |Content |
+|-----------|----------------------------------------------------------------|
+|[example](./example/)|An example dimer for UniProtKB entries `Q9Y5J9` and `Q9Y5L4`. Data is made up and does not make sense, it was just created to work with the conversion script.|
+|[README.md](./README.md)|This README|
+|[translate2modelcif.py](./translate2modelcif.py)|The conversion script|
+
+<!-- LocalWords: crosslinking ModelArchive heterodimer ColabFold de novo PAE
+ LocalWords: LocalColabFold heterodimers README
+ -->
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_1_model_5.pdb b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_1_model_5.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..3555558955a721f27b1469e9b6c1e49a18ae18b5
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_1_model_5.pdb
@@ -0,0 +1,1382 @@
+MODEL 1
+ATOM 1 N MET B 1 8.317 39.011 19.688 1.00 42.34 N
+ATOM 2 CA MET B 1 8.849 37.725 19.245 1.00 42.34 C
+ATOM 3 C MET B 1 7.739 36.684 19.142 1.00 42.34 C
+ATOM 4 CB MET B 1 9.938 37.236 20.200 1.00 42.34 C
+ATOM 5 O MET B 1 7.973 35.565 18.682 1.00 42.34 O
+ATOM 6 CG MET B 1 11.341 37.665 19.802 1.00 42.34 C
+ATOM 7 SD MET B 1 12.633 36.531 20.445 1.00 42.34 S
+ATOM 8 CE MET B 1 13.720 37.723 21.276 1.00 42.34 C
+ATOM 9 N ALA B 2 6.663 36.923 19.908 1.00 50.21 N
+ATOM 10 CA ALA B 2 5.472 36.082 19.989 1.00 50.21 C
+ATOM 11 C ALA B 2 4.632 36.197 18.719 1.00 50.21 C
+ATOM 12 CB ALA B 2 4.637 36.457 21.211 1.00 50.21 C
+ATOM 13 O ALA B 2 3.979 35.234 18.311 1.00 50.21 O
+ATOM 14 N GLU B 3 4.548 37.401 18.095 1.00 53.12 N
+ATOM 15 CA GLU B 3 3.660 37.590 16.952 1.00 53.12 C
+ATOM 16 C GLU B 3 4.168 36.832 15.728 1.00 53.12 C
+ATOM 17 CB GLU B 3 3.513 39.078 16.625 1.00 53.12 C
+ATOM 18 O GLU B 3 3.379 36.423 14.874 1.00 53.12 O
+ATOM 19 CG GLU B 3 2.318 39.739 17.296 1.00 53.12 C
+ATOM 20 CD GLU B 3 2.060 41.155 16.803 1.00 53.12 C
+ATOM 21 OE1 GLU B 3 1.079 41.369 16.056 1.00 53.12 O
+ATOM 22 OE2 GLU B 3 2.848 42.057 17.167 1.00 53.12 O
+ATOM 23 N LEU B 4 5.540 36.761 15.527 1.00 57.34 N
+ATOM 24 CA LEU B 4 6.082 35.929 14.459 1.00 57.34 C
+ATOM 25 C LEU B 4 5.613 34.485 14.603 1.00 57.34 C
+ATOM 26 CB LEU B 4 7.612 35.983 14.461 1.00 57.34 C
+ATOM 27 O LEU B 4 5.489 33.766 13.608 1.00 57.34 O
+ATOM 28 CG LEU B 4 8.245 37.280 13.954 1.00 57.34 C
+ATOM 29 CD1 LEU B 4 9.734 37.308 14.286 1.00 57.34 C
+ATOM 30 CD2 LEU B 4 8.023 37.433 12.454 1.00 57.34 C
+ATOM 31 N GLY B 5 5.333 34.157 15.910 1.00 60.84 N
+ATOM 32 CA GLY B 5 5.141 32.745 16.201 1.00 60.84 C
+ATOM 33 C GLY B 5 3.789 32.222 15.755 1.00 60.84 C
+ATOM 34 O GLY B 5 3.584 31.010 15.669 1.00 60.84 O
+ATOM 35 N GLU B 6 2.836 33.215 15.639 1.00 68.86 N
+ATOM 36 CA GLU B 6 1.532 32.680 15.260 1.00 68.86 C
+ATOM 37 C GLU B 6 1.510 32.265 13.792 1.00 68.86 C
+ATOM 38 CB GLU B 6 0.430 33.706 15.533 1.00 68.86 C
+ATOM 39 O GLU B 6 0.965 31.215 13.446 1.00 68.86 O
+ATOM 40 CG GLU B 6 -0.724 33.164 16.364 1.00 68.86 C
+ATOM 41 CD GLU B 6 -1.623 34.253 16.926 1.00 68.86 C
+ATOM 42 OE1 GLU B 6 -2.822 34.295 16.569 1.00 68.86 O
+ATOM 43 OE2 GLU B 6 -1.124 35.072 17.730 1.00 68.86 O
+ATOM 44 N ALA B 7 2.015 33.173 12.858 1.00 68.56 N
+ATOM 45 CA ALA B 7 2.106 32.831 11.441 1.00 68.56 C
+ATOM 46 C ALA B 7 3.004 31.616 11.226 1.00 68.56 C
+ATOM 47 CB ALA B 7 2.625 34.021 10.638 1.00 68.56 C
+ATOM 48 O ALA B 7 2.687 30.736 10.422 1.00 68.56 O
+ATOM 49 N ASP B 8 4.091 31.670 11.883 1.00 74.65 N
+ATOM 50 CA ASP B 8 4.995 30.526 11.812 1.00 74.65 C
+ATOM 51 C ASP B 8 4.330 29.266 12.361 1.00 74.65 C
+ATOM 52 CB ASP B 8 6.287 30.816 12.579 1.00 74.65 C
+ATOM 53 O ASP B 8 4.495 28.178 11.804 1.00 74.65 O
+ATOM 54 CG ASP B 8 7.184 31.818 11.873 1.00 74.65 C
+ATOM 55 OD1 ASP B 8 6.999 32.052 10.659 1.00 74.65 O
+ATOM 56 OD2 ASP B 8 8.085 32.376 12.536 1.00 74.65 O
+ATOM 57 N GLU B 9 3.564 29.541 13.385 1.00 80.97 N
+ATOM 58 CA GLU B 9 2.839 28.415 13.966 1.00 80.97 C
+ATOM 59 C GLU B 9 1.776 27.888 13.006 1.00 80.97 C
+ATOM 60 CB GLU B 9 2.193 28.819 15.294 1.00 80.97 C
+ATOM 61 O GLU B 9 1.599 26.675 12.873 1.00 80.97 O
+ATOM 62 CG GLU B 9 1.641 27.646 16.091 1.00 80.97 C
+ATOM 63 CD GLU B 9 1.090 28.050 17.450 1.00 80.97 C
+ATOM 64 OE1 GLU B 9 0.470 27.201 18.130 1.00 80.97 O
+ATOM 65 OE2 GLU B 9 1.280 29.225 17.836 1.00 80.97 O
+ATOM 66 N ALA B 10 1.045 28.849 12.370 1.00 83.48 N
+ATOM 67 CA ALA B 10 0.026 28.463 11.397 1.00 83.48 C
+ATOM 68 C ALA B 10 0.649 27.733 10.211 1.00 83.48 C
+ATOM 69 CB ALA B 10 -0.744 29.690 10.918 1.00 83.48 C
+ATOM 70 O ALA B 10 0.097 26.744 9.723 1.00 83.48 O
+ATOM 71 N GLU B 11 1.718 28.214 9.766 1.00 83.22 N
+ATOM 72 CA GLU B 11 2.421 27.569 8.661 1.00 83.22 C
+ATOM 73 C GLU B 11 2.900 26.174 9.052 1.00 83.22 C
+ATOM 74 CB GLU B 11 3.606 28.423 8.205 1.00 83.22 C
+ATOM 75 O GLU B 11 2.785 25.230 8.268 1.00 83.22 O
+ATOM 76 CG GLU B 11 4.377 27.831 7.034 1.00 83.22 C
+ATOM 77 CD GLU B 11 3.551 27.733 5.761 1.00 83.22 C
+ATOM 78 OE1 GLU B 11 4.034 27.142 4.768 1.00 83.22 O
+ATOM 79 OE2 GLU B 11 2.412 28.251 5.756 1.00 83.22 O
+ATOM 80 N LEU B 12 3.484 26.079 10.153 1.00 83.92 N
+ATOM 81 CA LEU B 12 3.928 24.784 10.655 1.00 83.92 C
+ATOM 82 C LEU B 12 2.758 23.810 10.756 1.00 83.92 C
+ATOM 83 CB LEU B 12 4.598 24.939 12.022 1.00 83.92 C
+ATOM 84 O LEU B 12 2.878 22.646 10.367 1.00 83.92 O
+ATOM 85 CG LEU B 12 5.146 23.660 12.658 1.00 83.92 C
+ATOM 86 CD1 LEU B 12 6.267 23.082 11.802 1.00 83.92 C
+ATOM 87 CD2 LEU B 12 5.636 23.935 14.076 1.00 83.92 C
+ATOM 88 N GLN B 13 1.642 24.295 11.275 1.00 86.52 N
+ATOM 89 CA GLN B 13 0.453 23.458 11.394 1.00 86.52 C
+ATOM 90 C GLN B 13 -0.012 22.966 10.026 1.00 86.52 C
+ATOM 91 CB GLN B 13 -0.676 24.222 12.088 1.00 86.52 C
+ATOM 92 O GLN B 13 -0.416 21.810 9.881 1.00 86.52 O
+ATOM 93 CG GLN B 13 -0.471 24.394 13.587 1.00 86.52 C
+ATOM 94 CD GLN B 13 -1.564 25.221 14.238 1.00 86.52 C
+ATOM 95 NE2 GLN B 13 -1.522 25.322 15.562 1.00 86.52 N
+ATOM 96 OE1 GLN B 13 -2.438 25.765 13.556 1.00 86.52 O
+ATOM 97 N ARG B 14 0.058 23.844 9.057 1.00 88.24 N
+ATOM 98 CA ARG B 14 -0.332 23.469 7.701 1.00 88.24 C
+ATOM 99 C ARG B 14 0.605 22.406 7.136 1.00 88.24 C
+ATOM 100 CB ARG B 14 -0.345 24.695 6.786 1.00 88.24 C
+ATOM 101 O ARG B 14 0.156 21.456 6.491 1.00 88.24 O
+ATOM 102 CG ARG B 14 -1.566 25.583 6.964 1.00 88.24 C
+ATOM 103 CD ARG B 14 -1.627 26.677 5.907 1.00 88.24 C
+ATOM 104 NE ARG B 14 -2.673 27.653 6.200 1.00 88.24 N
+ATOM 105 NH1 ARG B 14 -2.120 29.075 4.466 1.00 88.24 N
+ATOM 106 NH2 ARG B 14 -3.863 29.588 5.863 1.00 88.24 N
+ATOM 107 CZ ARG B 14 -2.883 28.770 5.509 1.00 88.24 C
+ATOM 108 N LEU B 15 1.829 22.548 7.388 1.00 85.41 N
+ATOM 109 CA LEU B 15 2.812 21.587 6.899 1.00 85.41 C
+ATOM 110 C LEU B 15 2.621 20.228 7.563 1.00 85.41 C
+ATOM 111 CB LEU B 15 4.233 22.098 7.153 1.00 85.41 C
+ATOM 112 O LEU B 15 2.716 19.191 6.903 1.00 85.41 O
+ATOM 113 CG LEU B 15 4.698 23.269 6.287 1.00 85.41 C
+ATOM 114 CD1 LEU B 15 6.064 23.762 6.751 1.00 85.41 C
+ATOM 115 CD2 LEU B 15 4.740 22.864 4.817 1.00 85.41 C
+ATOM 116 N VAL B 16 2.354 20.300 8.805 1.00 87.28 N
+ATOM 117 CA VAL B 16 2.134 19.059 9.541 1.00 87.28 C
+ATOM 118 C VAL B 16 0.891 18.353 9.003 1.00 87.28 C
+ATOM 119 CB VAL B 16 1.987 19.317 11.057 1.00 87.28 C
+ATOM 120 O VAL B 16 0.897 17.135 8.809 1.00 87.28 O
+ATOM 121 CG1 VAL B 16 1.502 18.058 11.774 1.00 87.28 C
+ATOM 122 CG2 VAL B 16 3.312 19.795 11.648 1.00 87.28 C
+ATOM 123 N ALA B 17 -0.151 19.083 8.744 1.00 91.95 N
+ATOM 124 CA ALA B 17 -1.385 18.509 8.214 1.00 91.95 C
+ATOM 125 C ALA B 17 -1.157 17.896 6.835 1.00 91.95 C
+ATOM 126 CB ALA B 17 -2.480 19.570 8.147 1.00 91.95 C
+ATOM 127 O ALA B 17 -1.675 16.818 6.534 1.00 91.95 O
+ATOM 128 N ALA B 18 -0.447 18.537 6.044 1.00 90.18 N
+ATOM 129 CA ALA B 18 -0.139 18.037 4.706 1.00 90.18 C
+ATOM 130 C ALA B 18 0.662 16.741 4.776 1.00 90.18 C
+ATOM 131 CB ALA B 18 0.625 19.090 3.908 1.00 90.18 C
+ATOM 132 O ALA B 18 0.387 15.793 4.037 1.00 90.18 O
+ATOM 133 N GLU B 19 1.599 16.720 5.725 1.00 90.00 N
+ATOM 134 CA GLU B 19 2.421 15.524 5.884 1.00 90.00 C
+ATOM 135 C GLU B 19 1.595 14.352 6.406 1.00 90.00 C
+ATOM 136 CB GLU B 19 3.596 15.800 6.826 1.00 90.00 C
+ATOM 137 O GLU B 19 1.827 13.203 6.024 1.00 90.00 O
+ATOM 138 CG GLU B 19 4.634 14.688 6.857 1.00 90.00 C
+ATOM 139 CD GLU B 19 5.268 14.421 5.501 1.00 90.00 C
+ATOM 140 OE1 GLU B 19 5.732 13.283 5.261 1.00 90.00 O
+ATOM 141 OE2 GLU B 19 5.301 15.358 4.672 1.00 90.00 O
+ATOM 142 N GLN B 20 0.669 14.647 7.216 1.00 91.23 N
+ATOM 143 CA GLN B 20 -0.207 13.614 7.760 1.00 91.23 C
+ATOM 144 C GLN B 20 -1.079 13.002 6.667 1.00 91.23 C
+ATOM 145 CB GLN B 20 -1.085 14.186 8.874 1.00 91.23 C
+ATOM 146 O GLN B 20 -1.286 11.787 6.639 1.00 91.23 O
+ATOM 147 CG GLN B 20 -0.355 14.376 10.196 1.00 91.23 C
+ATOM 148 CD GLN B 20 -1.245 14.953 11.281 1.00 91.23 C
+ATOM 149 NE2 GLN B 20 -0.760 14.934 12.518 1.00 91.23 N
+ATOM 150 OE1 GLN B 20 -2.358 15.413 11.009 1.00 91.23 O
+ATOM 151 N GLN B 21 -1.579 13.771 5.764 1.00 93.77 N
+ATOM 152 CA GLN B 21 -2.386 13.287 4.649 1.00 93.77 C
+ATOM 153 C GLN B 21 -1.567 12.388 3.727 1.00 93.77 C
+ATOM 154 CB GLN B 21 -2.969 14.459 3.858 1.00 93.77 C
+ATOM 155 O GLN B 21 -2.046 11.342 3.285 1.00 93.77 O
+ATOM 156 CG GLN B 21 -4.085 15.196 4.585 1.00 93.77 C
+ATOM 157 CD GLN B 21 -4.669 16.332 3.766 1.00 93.77 C
+ATOM 158 NE2 GLN B 21 -5.994 16.433 3.751 1.00 93.77 N
+ATOM 159 OE1 GLN B 21 -3.935 17.113 3.152 1.00 93.77 O
+ATOM 160 N LYS B 22 -0.394 12.839 3.532 1.00 93.00 N
+ATOM 161 CA LYS B 22 0.493 12.033 2.697 1.00 93.00 C
+ATOM 162 C LYS B 22 0.773 10.678 3.341 1.00 93.00 C
+ATOM 163 CB LYS B 22 1.806 12.773 2.438 1.00 93.00 C
+ATOM 164 O LYS B 22 0.773 9.650 2.661 1.00 93.00 O
+ATOM 165 CG LYS B 22 2.724 12.076 1.445 1.00 93.00 C
+ATOM 166 CD LYS B 22 3.986 12.888 1.184 1.00 93.00 C
+ATOM 167 CE LYS B 22 4.951 12.145 0.270 1.00 93.00 C
+ATOM 168 NZ LYS B 22 6.208 12.920 0.046 1.00 93.00 N
+ATOM 169 N ALA B 23 1.045 10.698 4.626 1.00 92.95 N
+ATOM 170 CA ALA B 23 1.327 9.467 5.360 1.00 92.95 C
+ATOM 171 C ALA B 23 0.129 8.523 5.328 1.00 92.95 C
+ATOM 172 CB ALA B 23 1.713 9.784 6.803 1.00 92.95 C
+ATOM 173 O ALA B 23 0.291 7.307 5.196 1.00 92.95 O
+ATOM 174 N GLN B 24 -1.068 9.056 5.420 1.00 95.14 N
+ATOM 175 CA GLN B 24 -2.276 8.240 5.375 1.00 95.14 C
+ATOM 176 C GLN B 24 -2.455 7.598 4.002 1.00 95.14 C
+ATOM 177 CB GLN B 24 -3.505 9.080 5.726 1.00 95.14 C
+ATOM 178 O GLN B 24 -2.839 6.430 3.903 1.00 95.14 O
+ATOM 179 CG GLN B 24 -3.626 9.404 7.208 1.00 95.14 C
+ATOM 180 CD GLN B 24 -4.808 10.303 7.519 1.00 95.14 C
+ATOM 181 NE2 GLN B 24 -4.969 10.654 8.790 1.00 95.14 N
+ATOM 182 OE1 GLN B 24 -5.570 10.680 6.623 1.00 95.14 O
+ATOM 183 N PHE B 25 -2.205 8.409 3.000 1.00 96.07 N
+ATOM 184 CA PHE B 25 -2.278 7.881 1.642 1.00 96.07 C
+ATOM 185 C PHE B 25 -1.309 6.719 1.461 1.00 96.07 C
+ATOM 186 CB PHE B 25 -1.976 8.981 0.619 1.00 96.07 C
+ATOM 187 O PHE B 25 -1.691 5.657 0.963 1.00 96.07 O
+ATOM 188 CG PHE B 25 -2.043 8.515 -0.810 1.00 96.07 C
+ATOM 189 CD1 PHE B 25 -0.922 7.985 -1.436 1.00 96.07 C
+ATOM 190 CD2 PHE B 25 -3.228 8.608 -1.528 1.00 96.07 C
+ATOM 191 CE1 PHE B 25 -0.981 7.553 -2.759 1.00 96.07 C
+ATOM 192 CE2 PHE B 25 -3.295 8.178 -2.850 1.00 96.07 C
+ATOM 193 CZ PHE B 25 -2.170 7.652 -3.464 1.00 96.07 C
+ATOM 194 N THR B 26 -0.047 6.896 1.854 1.00 95.71 N
+ATOM 195 CA THR B 26 0.990 5.878 1.727 1.00 95.71 C
+ATOM 196 C THR B 26 0.615 4.623 2.509 1.00 95.71 C
+ATOM 197 CB THR B 26 2.352 6.404 2.217 1.00 95.71 C
+ATOM 198 O THR B 26 0.799 3.504 2.023 1.00 95.71 O
+ATOM 199 CG2 THR B 26 3.434 5.338 2.080 1.00 95.71 C
+ATOM 200 OG1 THR B 26 2.724 7.548 1.439 1.00 95.71 O
+ATOM 201 N ALA B 27 0.092 4.810 3.679 1.00 96.22 N
+ATOM 202 CA ALA B 27 -0.321 3.674 4.500 1.00 96.22 C
+ATOM 203 C ALA B 27 -1.422 2.872 3.812 1.00 96.22 C
+ATOM 204 CB ALA B 27 -0.792 4.152 5.871 1.00 96.22 C
+ATOM 205 O ALA B 27 -1.417 1.639 3.851 1.00 96.22 O
+ATOM 206 N GLN B 28 -2.309 3.560 3.209 1.00 97.50 N
+ATOM 207 CA GLN B 28 -3.396 2.877 2.515 1.00 97.50 C
+ATOM 208 C GLN B 28 -2.879 2.125 1.292 1.00 97.50 C
+ATOM 209 CB GLN B 28 -4.478 3.874 2.099 1.00 97.50 C
+ATOM 210 O GLN B 28 -3.344 1.022 0.994 1.00 97.50 O
+ATOM 211 CG GLN B 28 -5.802 3.223 1.722 1.00 97.50 C
+ATOM 212 CD GLN B 28 -6.418 2.439 2.865 1.00 97.50 C
+ATOM 213 NE2 GLN B 28 -6.913 1.243 2.565 1.00 97.50 N
+ATOM 214 OE1 GLN B 28 -6.447 2.903 4.009 1.00 97.50 O
+ATOM 215 N VAL B 29 -1.958 2.745 0.665 1.00 98.16 N
+ATOM 216 CA VAL B 29 -1.369 2.068 -0.486 1.00 98.16 C
+ATOM 217 C VAL B 29 -0.673 0.787 -0.032 1.00 98.16 C
+ATOM 218 CB VAL B 29 -0.371 2.982 -1.232 1.00 98.16 C
+ATOM 219 O VAL B 29 -0.780 -0.251 -0.689 1.00 98.16 O
+ATOM 220 CG1 VAL B 29 0.346 2.209 -2.337 1.00 98.16 C
+ATOM 221 CG2 VAL B 29 -1.092 4.199 -1.809 1.00 98.16 C
+ATOM 222 N HIS B 30 0.087 0.804 1.078 1.00 97.43 N
+ATOM 223 CA HIS B 30 0.697 -0.399 1.632 1.00 97.43 C
+ATOM 224 C HIS B 30 -0.351 -1.473 1.904 1.00 97.43 C
+ATOM 225 CB HIS B 30 1.458 -0.071 2.918 1.00 97.43 C
+ATOM 226 O HIS B 30 -0.123 -2.653 1.630 1.00 97.43 O
+ATOM 227 CG HIS B 30 2.800 0.544 2.681 1.00 97.43 C
+ATOM 228 CD2 HIS B 30 3.320 1.728 3.084 1.00 97.43 C
+ATOM 229 ND1 HIS B 30 3.783 -0.076 1.940 1.00 97.43 N
+ATOM 230 CE1 HIS B 30 4.852 0.701 1.900 1.00 97.43 C
+ATOM 231 NE2 HIS B 30 4.597 1.801 2.586 1.00 97.43 N
+ATOM 232 N HIS B 31 -1.432 -1.041 2.395 1.00 97.81 N
+ATOM 233 CA HIS B 31 -2.499 -1.992 2.687 1.00 97.81 C
+ATOM 234 C HIS B 31 -3.031 -2.632 1.409 1.00 97.81 C
+ATOM 235 CB HIS B 31 -3.638 -1.304 3.443 1.00 97.81 C
+ATOM 236 O HIS B 31 -3.223 -3.849 1.352 1.00 97.81 O
+ATOM 237 CG HIS B 31 -4.754 -2.227 3.815 1.00 97.81 C
+ATOM 238 CD2 HIS B 31 -6.050 -2.258 3.423 1.00 97.81 C
+ATOM 239 ND1 HIS B 31 -4.593 -3.272 4.698 1.00 97.81 N
+ATOM 240 CE1 HIS B 31 -5.744 -3.908 4.834 1.00 97.81 C
+ATOM 241 NE2 HIS B 31 -6.645 -3.313 4.070 1.00 97.81 N
+ATOM 242 N PHE B 32 -3.264 -1.821 0.435 1.00 98.67 N
+ATOM 243 CA PHE B 32 -3.705 -2.355 -0.848 1.00 98.67 C
+ATOM 244 C PHE B 32 -2.676 -3.327 -1.413 1.00 98.67 C
+ATOM 245 CB PHE B 32 -3.960 -1.221 -1.845 1.00 98.67 C
+ATOM 246 O PHE B 32 -3.035 -4.381 -1.942 1.00 98.67 O
+ATOM 247 CG PHE B 32 -5.127 -0.343 -1.481 1.00 98.67 C
+ATOM 248 CD1 PHE B 32 -6.216 -0.861 -0.791 1.00 98.67 C
+ATOM 249 CD2 PHE B 32 -5.135 1.001 -1.830 1.00 98.67 C
+ATOM 250 CE1 PHE B 32 -7.297 -0.051 -0.452 1.00 98.67 C
+ATOM 251 CE2 PHE B 32 -6.212 1.817 -1.495 1.00 98.67 C
+ATOM 252 CZ PHE B 32 -7.292 1.289 -0.807 1.00 98.67 C
+ATOM 253 N MET B 33 -1.433 -2.960 -1.285 1.00 98.55 N
+ATOM 254 CA MET B 33 -0.363 -3.819 -1.786 1.00 98.55 C
+ATOM 255 C MET B 33 -0.393 -5.180 -1.099 1.00 98.55 C
+ATOM 256 CB MET B 33 1.000 -3.157 -1.578 1.00 98.55 C
+ATOM 257 O MET B 33 -0.173 -6.209 -1.741 1.00 98.55 O
+ATOM 258 CG MET B 33 1.329 -2.093 -2.611 1.00 98.55 C
+ATOM 259 SD MET B 33 1.381 -2.763 -4.319 1.00 98.55 S
+ATOM 260 CE MET B 33 2.845 -3.828 -4.200 1.00 98.55 C
+ATOM 261 N GLU B 34 -0.637 -5.218 0.149 1.00 97.31 N
+ATOM 262 CA GLU B 34 -0.710 -6.466 0.903 1.00 97.31 C
+ATOM 263 C GLU B 34 -1.802 -7.380 0.353 1.00 97.31 C
+ATOM 264 CB GLU B 34 -0.957 -6.185 2.387 1.00 97.31 C
+ATOM 265 O GLU B 34 -1.599 -8.589 0.222 1.00 97.31 O
+ATOM 266 CG GLU B 34 0.272 -5.684 3.131 1.00 97.31 C
+ATOM 267 CD GLU B 34 0.049 -5.537 4.628 1.00 97.31 C
+ATOM 268 OE1 GLU B 34 1.000 -5.158 5.349 1.00 97.31 O
+ATOM 269 OE2 GLU B 34 -1.085 -5.803 5.083 1.00 97.31 O
+ATOM 270 N LEU B 35 -2.847 -6.789 -0.045 1.00 98.31 N
+ATOM 271 CA LEU B 35 -3.994 -7.564 -0.506 1.00 98.31 C
+ATOM 272 C LEU B 35 -3.877 -7.875 -1.994 1.00 98.31 C
+ATOM 273 CB LEU B 35 -5.297 -6.807 -0.232 1.00 98.31 C
+ATOM 274 O LEU B 35 -3.984 -9.035 -2.400 1.00 98.31 O
+ATOM 275 CG LEU B 35 -5.648 -6.573 1.238 1.00 98.31 C
+ATOM 276 CD1 LEU B 35 -6.800 -5.580 1.356 1.00 98.31 C
+ATOM 277 CD2 LEU B 35 -6.000 -7.890 1.921 1.00 98.31 C
+ATOM 278 N CYS B 36 -3.599 -6.907 -2.733 1.00 98.78 N
+ATOM 279 CA CYS B 36 -3.684 -7.016 -4.185 1.00 98.78 C
+ATOM 280 C CYS B 36 -2.482 -7.766 -4.747 1.00 98.78 C
+ATOM 281 CB CYS B 36 -3.776 -5.630 -4.823 1.00 98.78 C
+ATOM 282 O CYS B 36 -2.603 -8.485 -5.741 1.00 98.78 O
+ATOM 283 SG CYS B 36 -5.266 -4.717 -4.368 1.00 98.78 S
+ATOM 284 N TRP B 37 -1.318 -7.660 -4.124 1.00 98.39 N
+ATOM 285 CA TRP B 37 -0.132 -8.388 -4.563 1.00 98.39 C
+ATOM 286 C TRP B 37 -0.393 -9.890 -4.586 1.00 98.39 C
+ATOM 287 CB TRP B 37 1.059 -8.077 -3.652 1.00 98.39 C
+ATOM 288 O TRP B 37 -0.144 -10.555 -5.595 1.00 98.39 O
+ATOM 289 CG TRP B 37 2.295 -8.860 -3.977 1.00 98.39 C
+ATOM 290 CD1 TRP B 37 2.684 -10.051 -3.429 1.00 98.39 C
+ATOM 291 CD2 TRP B 37 3.308 -8.504 -4.923 1.00 98.39 C
+ATOM 292 CE2 TRP B 37 4.282 -9.527 -4.897 1.00 98.39 C
+ATOM 293 CE3 TRP B 37 3.486 -7.419 -5.791 1.00 98.39 C
+ATOM 294 NE1 TRP B 37 3.878 -10.457 -3.978 1.00 98.39 N
+ATOM 295 CH2 TRP B 37 5.569 -8.422 -6.548 1.00 98.39 C
+ATOM 296 CZ2 TRP B 37 5.419 -9.495 -5.708 1.00 98.39 C
+ATOM 297 CZ3 TRP B 37 4.618 -7.390 -6.597 1.00 98.39 C
+ATOM 298 N ASP B 38 -0.931 -10.403 -3.573 1.00 96.19 N
+ATOM 299 CA ASP B 38 -1.173 -11.836 -3.445 1.00 96.19 C
+ATOM 300 C ASP B 38 -2.265 -12.296 -4.408 1.00 96.19 C
+ATOM 301 CB ASP B 38 -1.558 -12.189 -2.006 1.00 96.19 C
+ATOM 302 O ASP B 38 -2.207 -13.409 -4.935 1.00 96.19 O
+ATOM 303 CG ASP B 38 -0.385 -12.117 -1.045 1.00 96.19 C
+ATOM 304 OD1 ASP B 38 0.779 -12.118 -1.501 1.00 96.19 O
+ATOM 305 OD2 ASP B 38 -0.626 -12.062 0.181 1.00 96.19 O
+ATOM 306 N LYS B 39 -3.116 -11.478 -4.692 1.00 97.86 N
+ATOM 307 CA LYS B 39 -4.246 -11.841 -5.542 1.00 97.86 C
+ATOM 308 C LYS B 39 -3.873 -11.756 -7.019 1.00 97.86 C
+ATOM 309 CB LYS B 39 -5.447 -10.940 -5.253 1.00 97.86 C
+ATOM 310 O LYS B 39 -4.381 -12.524 -7.839 1.00 97.86 O
+ATOM 311 CG LYS B 39 -6.323 -11.424 -4.106 1.00 97.86 C
+ATOM 312 CD LYS B 39 -7.543 -10.531 -3.919 1.00 97.86 C
+ATOM 313 CE LYS B 39 -8.305 -10.884 -2.649 1.00 97.86 C
+ATOM 314 NZ LYS B 39 -9.183 -12.076 -2.843 1.00 97.86 N
+ATOM 315 N CYS B 40 -3.018 -10.893 -7.305 1.00 98.46 N
+ATOM 316 CA CYS B 40 -2.875 -10.564 -8.719 1.00 98.46 C
+ATOM 317 C CYS B 40 -1.506 -10.984 -9.241 1.00 98.46 C
+ATOM 318 CB CYS B 40 -3.079 -9.066 -8.944 1.00 98.46 C
+ATOM 319 O CYS B 40 -1.329 -11.180 -10.444 1.00 98.46 O
+ATOM 320 SG CYS B 40 -4.741 -8.489 -8.536 1.00 98.46 S
+ATOM 321 N VAL B 41 -0.455 -11.037 -8.365 1.00 97.38 N
+ATOM 322 CA VAL B 41 0.897 -11.321 -8.833 1.00 97.38 C
+ATOM 323 C VAL B 41 1.272 -12.761 -8.489 1.00 97.38 C
+ATOM 324 CB VAL B 41 1.926 -10.343 -8.221 1.00 97.38 C
+ATOM 325 O VAL B 41 1.556 -13.076 -7.331 1.00 97.38 O
+ATOM 326 CG1 VAL B 41 3.325 -10.621 -8.767 1.00 97.38 C
+ATOM 327 CG2 VAL B 41 1.517 -8.898 -8.500 1.00 97.38 C
+ATOM 328 N GLU B 42 1.386 -13.588 -9.521 1.00 93.06 N
+ATOM 329 CA GLU B 42 1.711 -14.994 -9.304 1.00 93.06 C
+ATOM 330 C GLU B 42 3.221 -15.210 -9.261 1.00 93.06 C
+ATOM 331 CB GLU B 42 1.086 -15.866 -10.397 1.00 93.06 C
+ATOM 332 O GLU B 42 3.739 -15.822 -8.324 1.00 93.06 O
+ATOM 333 CG GLU B 42 1.159 -17.358 -10.110 1.00 93.06 C
+ATOM 334 CD GLU B 42 0.412 -18.203 -11.129 1.00 93.06 C
+ATOM 335 OE1 GLU B 42 0.426 -19.449 -11.012 1.00 93.06 O
+ATOM 336 OE2 GLU B 42 -0.191 -17.613 -12.054 1.00 93.06 O
+ATOM 337 N LYS B 43 3.946 -14.840 -10.170 1.00 91.46 N
+ATOM 338 CA LYS B 43 5.399 -14.940 -10.267 1.00 91.46 C
+ATOM 339 C LYS B 43 5.998 -13.673 -10.870 1.00 91.46 C
+ATOM 340 CB LYS B 43 5.799 -16.157 -11.103 1.00 91.46 C
+ATOM 341 O LYS B 43 5.490 -13.152 -11.865 1.00 91.46 O
+ATOM 342 CG LYS B 43 5.593 -17.489 -10.395 1.00 91.46 C
+ATOM 343 CD LYS B 43 6.118 -18.651 -11.228 1.00 91.46 C
+ATOM 344 CE LYS B 43 5.990 -19.974 -10.485 1.00 91.46 C
+ATOM 345 NZ LYS B 43 5.510 -21.069 -11.382 1.00 91.46 N
+ATOM 346 N PRO B 44 7.094 -13.337 -10.202 1.00 91.39 N
+ATOM 347 CA PRO B 44 7.736 -12.146 -10.763 1.00 91.39 C
+ATOM 348 C PRO B 44 8.408 -12.416 -12.108 1.00 91.39 C
+ATOM 349 CB PRO B 44 8.773 -11.771 -9.701 1.00 91.39 C
+ATOM 350 O PRO B 44 9.214 -13.342 -12.224 1.00 91.39 O
+ATOM 351 CG PRO B 44 8.973 -13.020 -8.905 1.00 91.39 C
+ATOM 352 CD PRO B 44 7.768 -13.898 -9.083 1.00 91.39 C
+ATOM 353 N GLY B 45 7.935 -11.667 -13.203 1.00 91.10 N
+ATOM 354 CA GLY B 45 8.499 -11.821 -14.535 1.00 91.10 C
+ATOM 355 C GLY B 45 9.357 -10.645 -14.959 1.00 91.10 C
+ATOM 356 O GLY B 45 9.815 -9.869 -14.119 1.00 91.10 O
+ATOM 357 N ASN B 46 9.684 -10.639 -16.193 1.00 93.15 N
+ATOM 358 CA ASN B 46 10.572 -9.621 -16.743 1.00 93.15 C
+ATOM 359 C ASN B 46 9.893 -8.255 -16.799 1.00 93.15 C
+ATOM 360 CB ASN B 46 11.058 -10.029 -18.135 1.00 93.15 C
+ATOM 361 O ASN B 46 10.565 -7.222 -16.780 1.00 93.15 O
+ATOM 362 CG ASN B 46 12.259 -9.224 -18.594 1.00 93.15 C
+ATOM 363 ND2 ASN B 46 12.158 -8.630 -19.777 1.00 93.15 N
+ATOM 364 OD1 ASN B 46 13.269 -9.139 -17.891 1.00 93.15 O
+ATOM 365 N ARG B 47 8.561 -8.366 -16.863 1.00 94.72 N
+ATOM 366 CA ARG B 47 7.775 -7.136 -16.867 1.00 94.72 C
+ATOM 367 C ARG B 47 6.407 -7.358 -16.230 1.00 94.72 C
+ATOM 368 CB ARG B 47 7.610 -6.608 -18.293 1.00 94.72 C
+ATOM 369 O ARG B 47 5.961 -8.498 -16.087 1.00 94.72 O
+ATOM 370 CG ARG B 47 6.898 -7.572 -19.229 1.00 94.72 C
+ATOM 371 CD ARG B 47 6.821 -7.028 -20.648 1.00 94.72 C
+ATOM 372 NE ARG B 47 6.094 -7.933 -21.534 1.00 94.72 N
+ATOM 373 NH1 ARG B 47 4.450 -6.406 -22.084 1.00 94.72 N
+ATOM 374 NH2 ARG B 47 4.404 -8.518 -22.975 1.00 94.72 N
+ATOM 375 CZ ARG B 47 4.984 -7.617 -22.195 1.00 94.72 C
+ATOM 376 N LEU B 48 5.890 -6.273 -15.775 1.00 96.15 N
+ATOM 377 CA LEU B 48 4.498 -6.327 -15.341 1.00 96.15 C
+ATOM 378 C LEU B 48 3.554 -6.322 -16.538 1.00 96.15 C
+ATOM 379 CB LEU B 48 4.178 -5.148 -14.418 1.00 96.15 C
+ATOM 380 O LEU B 48 3.301 -5.270 -17.130 1.00 96.15 O
+ATOM 381 CG LEU B 48 2.881 -5.250 -13.613 1.00 96.15 C
+ATOM 382 CD1 LEU B 48 2.997 -6.345 -12.558 1.00 96.15 C
+ATOM 383 CD2 LEU B 48 2.546 -3.910 -12.967 1.00 96.15 C
+ATOM 384 N ASP B 49 2.930 -7.506 -16.794 1.00 95.29 N
+ATOM 385 CA ASP B 49 2.102 -7.610 -17.991 1.00 95.29 C
+ATOM 386 C ASP B 49 0.766 -6.896 -17.799 1.00 95.29 C
+ATOM 387 CB ASP B 49 1.867 -9.078 -18.355 1.00 95.29 C
+ATOM 388 O ASP B 49 0.370 -6.602 -16.669 1.00 95.29 O
+ATOM 389 CG ASP B 49 1.089 -9.835 -17.293 1.00 95.29 C
+ATOM 390 OD1 ASP B 49 -0.160 -9.830 -17.332 1.00 95.29 O
+ATOM 391 OD2 ASP B 49 1.732 -10.440 -16.408 1.00 95.29 O
+ATOM 392 N SER B 50 0.112 -6.625 -18.900 1.00 96.67 N
+ATOM 393 CA SER B 50 -1.110 -5.827 -18.916 1.00 96.67 C
+ATOM 394 C SER B 50 -2.213 -6.491 -18.099 1.00 96.67 C
+ATOM 395 CB SER B 50 -1.588 -5.607 -20.351 1.00 96.67 C
+ATOM 396 O SER B 50 -2.973 -5.812 -17.405 1.00 96.67 O
+ATOM 397 OG SER B 50 -2.710 -4.741 -20.380 1.00 96.67 O
+ATOM 398 N ARG B 51 -2.271 -7.817 -18.142 1.00 97.35 N
+ATOM 399 CA ARG B 51 -3.290 -8.556 -17.403 1.00 97.35 C
+ATOM 400 C ARG B 51 -3.133 -8.351 -15.900 1.00 97.35 C
+ATOM 401 CB ARG B 51 -3.223 -10.047 -17.738 1.00 97.35 C
+ATOM 402 O ARG B 51 -4.116 -8.116 -15.194 1.00 97.35 O
+ATOM 403 CG ARG B 51 -4.269 -10.887 -17.023 1.00 97.35 C
+ATOM 404 CD ARG B 51 -4.200 -12.350 -17.440 1.00 97.35 C
+ATOM 405 NE ARG B 51 -5.301 -13.125 -16.875 1.00 97.35 N
+ATOM 406 NH1 ARG B 51 -5.361 -14.676 -18.586 1.00 97.35 N
+ATOM 407 NH2 ARG B 51 -6.827 -14.840 -16.831 1.00 97.35 N
+ATOM 408 CZ ARG B 51 -5.827 -14.212 -17.432 1.00 97.35 C
+ATOM 409 N THR B 52 -1.889 -8.478 -15.422 1.00 98.10 N
+ATOM 410 CA THR B 52 -1.598 -8.291 -14.005 1.00 98.10 C
+ATOM 411 C THR B 52 -1.863 -6.848 -13.584 1.00 98.10 C
+ATOM 412 CB THR B 52 -0.139 -8.663 -13.680 1.00 98.10 C
+ATOM 413 O THR B 52 -2.419 -6.601 -12.512 1.00 98.10 O
+ATOM 414 CG2 THR B 52 0.140 -8.537 -12.186 1.00 98.10 C
+ATOM 415 OG1 THR B 52 0.105 -10.015 -14.089 1.00 98.10 O
+ATOM 416 N GLU B 53 -1.482 -5.882 -14.390 1.00 98.10 N
+ATOM 417 CA GLU B 53 -1.734 -4.472 -14.108 1.00 98.10 C
+ATOM 418 C GLU B 53 -3.228 -4.197 -13.965 1.00 98.10 C
+ATOM 419 CB GLU B 53 -1.139 -3.589 -15.207 1.00 98.10 C
+ATOM 420 O GLU B 53 -3.648 -3.481 -13.053 1.00 98.10 O
+ATOM 421 CG GLU B 53 -1.161 -2.102 -14.881 1.00 98.10 C
+ATOM 422 CD GLU B 53 -0.435 -1.251 -15.910 1.00 98.10 C
+ATOM 423 OE1 GLU B 53 -0.399 -0.009 -15.754 1.00 98.10 O
+ATOM 424 OE2 GLU B 53 0.101 -1.830 -16.881 1.00 98.10 O
+ATOM 425 N ASN B 54 -3.978 -4.769 -14.887 1.00 98.58 N
+ATOM 426 CA ASN B 54 -5.425 -4.595 -14.809 1.00 98.58 C
+ATOM 427 C ASN B 54 -6.000 -5.239 -13.551 1.00 98.58 C
+ATOM 428 CB ASN B 54 -6.102 -5.168 -16.056 1.00 98.58 C
+ATOM 429 O ASN B 54 -6.905 -4.686 -12.924 1.00 98.58 O
+ATOM 430 CG ASN B 54 -5.831 -4.344 -17.299 1.00 98.58 C
+ATOM 431 ND2 ASN B 54 -5.875 -4.988 -18.459 1.00 98.58 N
+ATOM 432 OD1 ASN B 54 -5.583 -3.138 -17.217 1.00 98.58 O
+ATOM 433 N CYS B 55 -5.508 -6.415 -13.256 1.00 98.83 N
+ATOM 434 CA CYS B 55 -5.935 -7.089 -12.035 1.00 98.83 C
+ATOM 435 C CYS B 55 -5.663 -6.223 -10.810 1.00 98.83 C
+ATOM 436 CB CYS B 55 -5.224 -8.434 -11.887 1.00 98.83 C
+ATOM 437 O CYS B 55 -6.533 -6.062 -9.953 1.00 98.83 O
+ATOM 438 SG CYS B 55 -5.645 -9.317 -10.369 1.00 98.83 S
+ATOM 439 N LEU B 56 -4.487 -5.615 -10.730 1.00 98.87 N
+ATOM 440 CA LEU B 56 -4.102 -4.772 -9.603 1.00 98.87 C
+ATOM 441 C LEU B 56 -5.022 -3.561 -9.490 1.00 98.87 C
+ATOM 442 CB LEU B 56 -2.649 -4.312 -9.750 1.00 98.87 C
+ATOM 443 O LEU B 56 -5.494 -3.234 -8.399 1.00 98.87 O
+ATOM 444 CG LEU B 56 -1.575 -5.379 -9.535 1.00 98.87 C
+ATOM 445 CD1 LEU B 56 -0.225 -4.882 -10.040 1.00 98.87 C
+ATOM 446 CD2 LEU B 56 -1.491 -5.765 -8.061 1.00 98.87 C
+ATOM 447 N SER B 57 -5.262 -2.912 -10.587 1.00 98.80 N
+ATOM 448 CA SER B 57 -6.150 -1.754 -10.587 1.00 98.80 C
+ATOM 449 C SER B 57 -7.558 -2.137 -10.145 1.00 98.80 C
+ATOM 450 CB SER B 57 -6.198 -1.116 -11.976 1.00 98.80 C
+ATOM 451 O SER B 57 -8.165 -1.450 -9.321 1.00 98.80 O
+ATOM 452 OG SER B 57 -4.920 -0.632 -12.352 1.00 98.80 O
+ATOM 453 N SER B 58 -8.039 -3.245 -10.689 1.00 98.84 N
+ATOM 454 CA SER B 58 -9.374 -3.707 -10.319 1.00 98.84 C
+ATOM 455 C SER B 58 -9.432 -4.110 -8.850 1.00 98.84 C
+ATOM 456 CB SER B 58 -9.796 -4.885 -11.197 1.00 98.84 C
+ATOM 457 O SER B 58 -10.452 -3.912 -8.186 1.00 98.84 O
+ATOM 458 OG SER B 58 -9.945 -4.480 -12.547 1.00 98.84 O
+ATOM 459 N CYS B 59 -8.406 -4.734 -8.381 1.00 98.87 N
+ATOM 460 CA CYS B 59 -8.315 -5.152 -6.987 1.00 98.87 C
+ATOM 461 C CYS B 59 -8.520 -3.969 -6.048 1.00 98.87 C
+ATOM 462 CB CYS B 59 -6.961 -5.805 -6.710 1.00 98.87 C
+ATOM 463 O CYS B 59 -9.296 -4.055 -5.095 1.00 98.87 O
+ATOM 464 SG CYS B 59 -6.753 -6.354 -5.002 1.00 98.87 S
+ATOM 465 N VAL B 60 -7.924 -2.864 -6.335 1.00 98.82 N
+ATOM 466 CA VAL B 60 -8.066 -1.659 -5.524 1.00 98.82 C
+ATOM 467 C VAL B 60 -9.525 -1.209 -5.518 1.00 98.82 C
+ATOM 468 CB VAL B 60 -7.158 -0.519 -6.038 1.00 98.82 C
+ATOM 469 O VAL B 60 -10.115 -1.008 -4.454 1.00 98.82 O
+ATOM 470 CG1 VAL B 60 -7.441 0.778 -5.283 1.00 98.82 C
+ATOM 471 CG2 VAL B 60 -5.687 -0.908 -5.906 1.00 98.82 C
+ATOM 472 N ASP B 61 -10.125 -1.124 -6.687 1.00 98.64 N
+ATOM 473 CA ASP B 61 -11.502 -0.658 -6.824 1.00 98.64 C
+ATOM 474 C ASP B 61 -12.467 -1.568 -6.067 1.00 98.64 C
+ATOM 475 CB ASP B 61 -11.899 -0.582 -8.299 1.00 98.64 C
+ATOM 476 O ASP B 61 -13.333 -1.089 -5.332 1.00 98.64 O
+ATOM 477 CG ASP B 61 -11.285 0.606 -9.018 1.00 98.64 C
+ATOM 478 OD1 ASP B 61 -11.027 1.644 -8.371 1.00 98.64 O
+ATOM 479 OD2 ASP B 61 -11.060 0.505 -10.244 1.00 98.64 O
+ATOM 480 N ARG B 62 -12.213 -2.790 -6.218 1.00 98.70 N
+ATOM 481 CA ARG B 62 -13.148 -3.739 -5.622 1.00 98.70 C
+ATOM 482 C ARG B 62 -13.010 -3.763 -4.104 1.00 98.70 C
+ATOM 483 CB ARG B 62 -12.927 -5.142 -6.191 1.00 98.70 C
+ATOM 484 O ARG B 62 -13.990 -3.986 -3.390 1.00 98.70 O
+ATOM 485 CG ARG B 62 -13.387 -5.302 -7.631 1.00 98.70 C
+ATOM 486 CD ARG B 62 -14.890 -5.104 -7.769 1.00 98.70 C
+ATOM 487 NE ARG B 62 -15.231 -3.701 -7.985 1.00 98.70 N
+ATOM 488 NH1 ARG B 62 -15.690 -3.946 -10.236 1.00 98.70 N
+ATOM 489 NH2 ARG B 62 -15.892 -1.893 -9.237 1.00 98.70 N
+ATOM 490 CZ ARG B 62 -15.603 -3.183 -9.153 1.00 98.70 C
+ATOM 491 N PHE B 63 -11.797 -3.535 -3.628 1.00 98.67 N
+ATOM 492 CA PHE B 63 -11.644 -3.458 -2.180 1.00 98.67 C
+ATOM 493 C PHE B 63 -12.423 -2.276 -1.615 1.00 98.67 C
+ATOM 494 CB PHE B 63 -10.165 -3.342 -1.799 1.00 98.67 C
+ATOM 495 O PHE B 63 -13.093 -2.401 -0.589 1.00 98.67 O
+ATOM 496 CG PHE B 63 -9.917 -3.361 -0.315 1.00 98.67 C
+ATOM 497 CD1 PHE B 63 -9.741 -2.176 0.389 1.00 98.67 C
+ATOM 498 CD2 PHE B 63 -9.859 -4.564 0.376 1.00 98.67 C
+ATOM 499 CE1 PHE B 63 -9.511 -2.189 1.763 1.00 98.67 C
+ATOM 500 CE2 PHE B 63 -9.629 -4.585 1.749 1.00 98.67 C
+ATOM 501 CZ PHE B 63 -9.455 -3.397 2.440 1.00 98.67 C
+ATOM 502 N ILE B 64 -12.306 -1.184 -2.256 1.00 98.17 N
+ATOM 503 CA ILE B 64 -13.021 0.002 -1.798 1.00 98.17 C
+ATOM 504 C ILE B 64 -14.527 -0.239 -1.880 1.00 98.17 C
+ATOM 505 CB ILE B 64 -12.633 1.250 -2.622 1.00 98.17 C
+ATOM 506 O ILE B 64 -15.264 0.077 -0.943 1.00 98.17 O
+ATOM 507 CG1 ILE B 64 -11.152 1.587 -2.414 1.00 98.17 C
+ATOM 508 CG2 ILE B 64 -13.523 2.440 -2.253 1.00 98.17 C
+ATOM 509 CD1 ILE B 64 -10.635 2.693 -3.324 1.00 98.17 C
+ATOM 510 N ASP B 65 -14.964 -0.866 -2.960 1.00 98.31 N
+ATOM 511 CA ASP B 65 -16.378 -1.203 -3.096 1.00 98.31 C
+ATOM 512 C ASP B 65 -16.835 -2.123 -1.967 1.00 98.31 C
+ATOM 513 CB ASP B 65 -16.644 -1.861 -4.452 1.00 98.31 C
+ATOM 514 O ASP B 65 -17.928 -1.951 -1.423 1.00 98.31 O
+ATOM 515 CG ASP B 65 -16.512 -0.895 -5.616 1.00 98.31 C
+ATOM 516 OD1 ASP B 65 -16.508 0.334 -5.392 1.00 98.31 O
+ATOM 517 OD2 ASP B 65 -16.414 -1.368 -6.769 1.00 98.31 O
+ATOM 518 N THR B 66 -16.035 -3.042 -1.716 1.00 98.60 N
+ATOM 519 CA THR B 66 -16.358 -3.994 -0.659 1.00 98.60 C
+ATOM 520 C THR B 66 -16.478 -3.288 0.688 1.00 98.60 C
+ATOM 521 CB THR B 66 -15.298 -5.107 -0.566 1.00 98.60 C
+ATOM 522 O THR B 66 -17.425 -3.528 1.439 1.00 98.60 O
+ATOM 523 CG2 THR B 66 -15.616 -6.077 0.567 1.00 98.60 C
+ATOM 524 OG1 THR B 66 -15.263 -5.830 -1.803 1.00 98.60 O
+ATOM 525 N THR B 67 -15.533 -2.373 0.983 1.00 97.83 N
+ATOM 526 CA THR B 67 -15.560 -1.625 2.234 1.00 97.83 C
+ATOM 527 C THR B 67 -16.838 -0.797 2.342 1.00 97.83 C
+ATOM 528 CB THR B 67 -14.335 -0.701 2.360 1.00 97.83 C
+ATOM 529 O THR B 67 -17.486 -0.779 3.390 1.00 97.83 O
+ATOM 530 CG2 THR B 67 -14.378 0.096 3.660 1.00 97.83 C
+ATOM 531 OG1 THR B 67 -13.141 -1.494 2.339 1.00 97.83 O
+ATOM 532 N LEU B 68 -17.265 -0.144 1.298 1.00 97.24 N
+ATOM 533 CA LEU B 68 -18.465 0.685 1.290 1.00 97.24 C
+ATOM 534 C LEU B 68 -19.717 -0.168 1.462 1.00 97.24 C
+ATOM 535 CB LEU B 68 -18.554 1.487 -0.011 1.00 97.24 C
+ATOM 536 O LEU B 68 -20.644 0.219 2.178 1.00 97.24 O
+ATOM 537 CG LEU B 68 -17.528 2.607 -0.189 1.00 97.24 C
+ATOM 538 CD1 LEU B 68 -17.655 3.226 -1.577 1.00 97.24 C
+ATOM 539 CD2 LEU B 68 -17.700 3.667 0.893 1.00 97.24 C
+ATOM 540 N ALA B 69 -19.696 -1.347 0.813 1.00 98.28 N
+ATOM 541 CA ALA B 69 -20.843 -2.244 0.924 1.00 98.28 C
+ATOM 542 C ALA B 69 -21.021 -2.733 2.358 1.00 98.28 C
+ATOM 543 CB ALA B 69 -20.684 -3.431 -0.024 1.00 98.28 C
+ATOM 544 O ALA B 69 -22.139 -2.759 2.878 1.00 98.28 O
+ATOM 545 N ILE B 70 -20.002 -3.063 2.967 1.00 98.29 N
+ATOM 546 CA ILE B 70 -20.047 -3.571 4.334 1.00 98.29 C
+ATOM 547 C ILE B 70 -20.454 -2.450 5.288 1.00 98.29 C
+ATOM 548 CB ILE B 70 -18.688 -4.170 4.759 1.00 98.29 C
+ATOM 549 O ILE B 70 -21.285 -2.654 6.176 1.00 98.29 O
+ATOM 550 CG1 ILE B 70 -18.424 -5.481 4.010 1.00 98.29 C
+ATOM 551 CG2 ILE B 70 -18.644 -4.387 6.275 1.00 98.29 C
+ATOM 552 CD1 ILE B 70 -17.040 -6.067 4.256 1.00 98.29 C
+ATOM 553 N THR B 71 -19.823 -1.302 5.111 1.00 97.33 N
+ATOM 554 CA THR B 71 -20.157 -0.162 5.957 1.00 97.33 C
+ATOM 555 C THR B 71 -21.638 0.184 5.838 1.00 97.33 C
+ATOM 556 CB THR B 71 -19.308 1.071 5.592 1.00 97.33 C
+ATOM 557 O THR B 71 -22.301 0.450 6.843 1.00 97.33 O
+ATOM 558 CG2 THR B 71 -19.660 2.262 6.478 1.00 97.33 C
+ATOM 559 OG1 THR B 71 -17.921 0.756 5.763 1.00 97.33 O
+ATOM 560 N SER B 72 -22.186 0.166 4.681 1.00 96.65 N
+ATOM 561 CA SER B 72 -23.599 0.447 4.448 1.00 96.65 C
+ATOM 562 C SER B 72 -24.488 -0.596 5.118 1.00 96.65 C
+ATOM 563 CB SER B 72 -23.897 0.496 2.949 1.00 96.65 C
+ATOM 564 O SER B 72 -25.495 -0.254 5.741 1.00 96.65 O
+ATOM 565 OG SER B 72 -25.280 0.704 2.717 1.00 96.65 O
+ATOM 566 N ARG B 73 -24.110 -1.788 4.967 1.00 97.25 N
+ATOM 567 CA ARG B 73 -24.883 -2.853 5.599 1.00 97.25 C
+ATOM 568 C ARG B 73 -24.854 -2.723 7.118 1.00 97.25 C
+ATOM 569 CB ARG B 73 -24.352 -4.225 5.180 1.00 97.25 C
+ATOM 570 O ARG B 73 -25.879 -2.896 7.781 1.00 97.25 O
+ATOM 571 CG ARG B 73 -25.140 -5.392 5.753 1.00 97.25 C
+ATOM 572 CD ARG B 73 -24.679 -6.723 5.174 1.00 97.25 C
+ATOM 573 NE ARG B 73 -25.490 -7.833 5.664 1.00 97.25 N
+ATOM 574 NH1 ARG B 73 -24.007 -8.455 7.322 1.00 97.25 N
+ATOM 575 NH2 ARG B 73 -25.965 -9.612 7.036 1.00 97.25 N
+ATOM 576 CZ ARG B 73 -25.152 -8.631 6.673 1.00 97.25 C
+ATOM 577 N PHE B 74 -23.709 -2.429 7.643 1.00 96.81 N
+ATOM 578 CA PHE B 74 -23.574 -2.245 9.083 1.00 96.81 C
+ATOM 579 C PHE B 74 -24.478 -1.121 9.572 1.00 96.81 C
+ATOM 580 CB PHE B 74 -22.117 -1.947 9.453 1.00 96.81 C
+ATOM 581 O PHE B 74 -25.144 -1.256 10.601 1.00 96.81 O
+ATOM 582 CG PHE B 74 -21.883 -1.811 10.933 1.00 96.81 C
+ATOM 583 CD1 PHE B 74 -21.668 -0.563 11.505 1.00 96.81 C
+ATOM 584 CD2 PHE B 74 -21.878 -2.932 11.753 1.00 96.81 C
+ATOM 585 CE1 PHE B 74 -21.451 -0.434 12.875 1.00 96.81 C
+ATOM 586 CE2 PHE B 74 -21.662 -2.811 13.123 1.00 96.81 C
+ATOM 587 CZ PHE B 74 -21.447 -1.562 13.682 1.00 96.81 C
+ATOM 588 N ALA B 75 -24.547 -0.072 8.877 1.00 96.09 N
+ATOM 589 CA ALA B 75 -25.405 1.055 9.231 1.00 96.09 C
+ATOM 590 C ALA B 75 -26.876 0.650 9.220 1.00 96.09 C
+ATOM 591 CB ALA B 75 -25.170 2.223 8.276 1.00 96.09 C
+ATOM 592 O ALA B 75 -27.652 1.084 10.074 1.00 96.09 O
+ATOM 593 N GLN B 76 -27.307 -0.209 8.311 1.00 95.32 N
+ATOM 594 CA GLN B 76 -28.683 -0.685 8.209 1.00 95.32 C
+ATOM 595 C GLN B 76 -29.056 -1.550 9.409 1.00 95.32 C
+ATOM 596 CB GLN B 76 -28.885 -1.469 6.912 1.00 95.32 C
+ATOM 597 O GLN B 76 -30.159 -1.433 9.946 1.00 95.32 O
+ATOM 598 CG GLN B 76 -28.868 -0.603 5.660 1.00 95.32 C
+ATOM 599 CD GLN B 76 -28.869 -1.419 4.381 1.00 95.32 C
+ATOM 600 NE2 GLN B 76 -28.796 -0.738 3.243 1.00 95.32 N
+ATOM 601 OE1 GLN B 76 -28.933 -2.652 4.416 1.00 95.32 O
+ATOM 602 N ILE B 77 -28.156 -2.286 9.863 1.00 95.48 N
+ATOM 603 CA ILE B 77 -28.395 -3.190 10.982 1.00 95.48 C
+ATOM 604 C ILE B 77 -28.522 -2.388 12.275 1.00 95.48 C
+ATOM 605 CB ILE B 77 -27.270 -4.241 11.112 1.00 95.48 C
+ATOM 606 O ILE B 77 -29.372 -2.687 13.118 1.00 95.48 O
+ATOM 607 CG1 ILE B 77 -27.339 -5.243 9.954 1.00 95.48 C
+ATOM 608 CG2 ILE B 77 -27.353 -4.957 12.463 1.00 95.48 C
+ATOM 609 CD1 ILE B 77 -26.137 -6.173 9.868 1.00 95.48 C
+ATOM 610 N VAL B 78 -27.743 -1.462 12.412 1.00 94.86 N
+ATOM 611 CA VAL B 78 -27.761 -0.642 13.619 1.00 94.86 C
+ATOM 612 C VAL B 78 -29.038 0.194 13.657 1.00 94.86 C
+ATOM 613 CB VAL B 78 -26.521 0.276 13.699 1.00 94.86 C
+ATOM 614 O VAL B 78 -29.632 0.384 14.721 1.00 94.86 O
+ATOM 615 CG1 VAL B 78 -26.690 1.316 14.805 1.00 94.86 C
+ATOM 616 CG2 VAL B 78 -25.259 -0.553 13.930 1.00 94.86 C
+ATOM 617 N GLN B 79 -29.521 0.579 12.549 1.00 92.95 N
+ATOM 618 CA GLN B 79 -30.739 1.377 12.460 1.00 92.95 C
+ATOM 619 C GLN B 79 -31.977 0.523 12.720 1.00 92.95 C
+ATOM 620 CB GLN B 79 -30.843 2.047 11.089 1.00 92.95 C
+ATOM 621 O GLN B 79 -32.928 0.978 13.359 1.00 92.95 O
+ATOM 622 CG GLN B 79 -29.879 3.210 10.898 1.00 92.95 C
+ATOM 623 CD GLN B 79 -29.997 3.852 9.529 1.00 92.95 C
+ATOM 624 NE2 GLN B 79 -29.304 4.970 9.336 1.00 92.95 N
+ATOM 625 OE1 GLN B 79 -30.704 3.347 8.651 1.00 92.95 O
+ATOM 626 N LYS B 80 -31.870 -0.718 12.295 1.00 92.43 N
+ATOM 627 CA LYS B 80 -32.994 -1.629 12.493 1.00 92.43 C
+ATOM 628 C LYS B 80 -33.032 -2.152 13.926 1.00 92.43 C
+ATOM 629 CB LYS B 80 -32.916 -2.799 11.511 1.00 92.43 C
+ATOM 630 O LYS B 80 -34.105 -2.443 14.458 1.00 92.43 O
+ATOM 631 CG LYS B 80 -33.272 -2.429 10.078 1.00 92.43 C
+ATOM 632 CD LYS B 80 -33.295 -3.655 9.174 1.00 92.43 C
+ATOM 633 CE LYS B 80 -33.684 -3.291 7.747 1.00 92.43 C
+ATOM 634 NZ LYS B 80 -33.672 -4.483 6.848 1.00 92.43 N
+ATOM 635 N GLY B 81 -31.917 -2.452 14.482 1.00 81.84 N
+ATOM 636 CA GLY B 81 -31.835 -2.932 15.852 1.00 81.84 C
+ATOM 637 C GLY B 81 -32.159 -1.864 16.880 1.00 81.84 C
+ATOM 638 O GLY B 81 -32.549 -2.176 18.006 1.00 81.84 O
+ATOM 639 N GLY B 82 -32.065 -0.672 16.674 1.00 76.22 N
+ATOM 640 CA GLY B 82 -32.418 0.444 17.536 1.00 76.22 C
+ATOM 641 C GLY B 82 -33.880 0.838 17.435 1.00 76.22 C
+ATOM 642 O GLY B 82 -34.371 1.633 18.238 1.00 76.22 O
+ATOM 643 N GLN B 83 -34.662 0.199 16.583 1.00 60.35 N
+ATOM 644 CA GLN B 83 -36.117 0.302 16.553 1.00 60.35 C
+ATOM 645 C GLN B 83 -36.769 -0.906 17.219 1.00 60.35 C
+ATOM 646 CB GLN B 83 -36.616 0.440 15.114 1.00 60.35 C
+ATOM 647 O GLN B 83 -37.805 -0.777 17.874 1.00 60.35 O
+ATOM 648 CG GLN B 83 -36.419 1.831 14.526 1.00 60.35 C
+ATOM 649 CD GLN B 83 -36.958 1.952 13.112 1.00 60.35 C
+ATOM 650 NE2 GLN B 83 -36.346 2.824 12.318 1.00 60.35 N
+ATOM 651 OE1 GLN B 83 -37.915 1.267 12.738 1.00 60.35 O
+TER 652 GLN B 83
+ATOM 653 N MET C 1 50.040 32.393 35.390 1.00 28.57 N
+ATOM 654 CA MET C 1 49.521 31.790 36.614 1.00 28.57 C
+ATOM 655 C MET C 1 48.376 32.619 37.186 1.00 28.57 C
+ATOM 656 CB MET C 1 50.632 31.645 37.655 1.00 28.57 C
+ATOM 657 O MET C 1 47.433 32.071 37.759 1.00 28.57 O
+ATOM 658 CG MET C 1 50.733 30.251 38.253 1.00 28.57 C
+ATOM 659 SD MET C 1 52.198 30.058 39.341 1.00 28.57 S
+ATOM 660 CE MET C 1 51.684 28.617 40.317 1.00 28.57 C
+ATOM 661 N GLU C 2 48.540 33.870 37.053 1.00 35.42 N
+ATOM 662 CA GLU C 2 47.501 34.894 37.106 1.00 35.42 C
+ATOM 663 C GLU C 2 46.554 34.783 35.915 1.00 35.42 C
+ATOM 664 CB GLU C 2 48.124 36.291 37.154 1.00 35.42 C
+ATOM 665 O GLU C 2 45.932 35.769 35.515 1.00 35.42 O
+ATOM 666 CG GLU C 2 47.783 37.074 38.414 1.00 35.42 C
+ATOM 667 CD GLU C 2 48.552 38.380 38.535 1.00 35.42 C
+ATOM 668 OE1 GLU C 2 47.992 39.448 38.199 1.00 35.42 O
+ATOM 669 OE2 GLU C 2 49.725 38.335 38.969 1.00 35.42 O
+ATOM 670 N GLY C 3 46.387 33.521 35.322 1.00 37.54 N
+ATOM 671 CA GLY C 3 45.732 33.310 34.041 1.00 37.54 C
+ATOM 672 C GLY C 3 44.283 33.761 34.030 1.00 37.54 C
+ATOM 673 O GLY C 3 43.519 33.433 34.939 1.00 37.54 O
+ATOM 674 N GLY C 4 44.029 34.997 33.563 1.00 40.33 N
+ATOM 675 CA GLY C 4 42.765 35.682 33.349 1.00 40.33 C
+ATOM 676 C GLY C 4 41.770 34.863 32.548 1.00 40.33 C
+ATOM 677 O GLY C 4 41.979 34.613 31.359 1.00 40.33 O
+ATOM 678 N PHE C 5 41.158 33.722 33.132 1.00 44.33 N
+ATOM 679 CA PHE C 5 40.188 32.898 32.420 1.00 44.33 C
+ATOM 680 C PHE C 5 38.948 33.709 32.063 1.00 44.33 C
+ATOM 681 CB PHE C 5 39.794 31.681 33.262 1.00 44.33 C
+ATOM 682 O PHE C 5 38.163 34.073 32.941 1.00 44.33 O
+ATOM 683 CG PHE C 5 40.771 30.539 33.173 1.00 44.33 C
+ATOM 684 CD1 PHE C 5 40.695 29.622 32.132 1.00 44.33 C
+ATOM 685 CD2 PHE C 5 41.764 30.384 34.130 1.00 44.33 C
+ATOM 686 CE1 PHE C 5 41.598 28.564 32.047 1.00 44.33 C
+ATOM 687 CE2 PHE C 5 42.670 29.329 34.052 1.00 44.33 C
+ATOM 688 CZ PHE C 5 42.584 28.420 33.010 1.00 44.33 C
+ATOM 689 N GLY C 6 39.115 34.885 31.302 1.00 39.78 N
+ATOM 690 CA GLY C 6 37.972 35.638 30.811 1.00 39.78 C
+ATOM 691 C GLY C 6 36.925 34.766 30.144 1.00 39.78 C
+ATOM 692 O GLY C 6 37.233 34.022 29.210 1.00 39.78 O
+ATOM 693 N SER C 7 36.008 34.157 30.944 1.00 40.86 N
+ATOM 694 CA SER C 7 34.895 33.296 30.557 1.00 40.86 C
+ATOM 695 C SER C 7 33.972 33.998 29.566 1.00 40.86 C
+ATOM 696 CB SER C 7 34.099 32.863 31.788 1.00 40.86 C
+ATOM 697 O SER C 7 33.419 35.058 29.868 1.00 40.86 O
+ATOM 698 OG SER C 7 33.841 33.969 32.636 1.00 40.86 O
+ATOM 699 N ASP C 8 34.459 34.293 28.316 1.00 41.26 N
+ATOM 700 CA ASP C 8 33.621 34.839 27.254 1.00 41.26 C
+ATOM 701 C ASP C 8 32.408 33.948 26.998 1.00 41.26 C
+ATOM 702 CB ASP C 8 34.429 35.010 25.966 1.00 41.26 C
+ATOM 703 O ASP C 8 32.456 33.053 26.151 1.00 41.26 O
+ATOM 704 CG ASP C 8 34.901 36.437 25.746 1.00 41.26 C
+ATOM 705 OD1 ASP C 8 34.121 37.382 25.995 1.00 41.26 O
+ATOM 706 OD2 ASP C 8 36.062 36.618 25.319 1.00 41.26 O
+ATOM 707 N PHE C 9 31.814 33.359 28.090 1.00 41.45 N
+ATOM 708 CA PHE C 9 30.687 32.472 27.827 1.00 41.45 C
+ATOM 709 C PHE C 9 29.551 33.228 27.147 1.00 41.45 C
+ATOM 710 CB PHE C 9 30.188 31.833 29.127 1.00 41.45 C
+ATOM 711 O PHE C 9 28.449 32.697 26.994 1.00 41.45 O
+ATOM 712 CG PHE C 9 30.728 30.450 29.369 1.00 41.45 C
+ATOM 713 CD1 PHE C 9 30.101 29.338 28.820 1.00 41.45 C
+ATOM 714 CD2 PHE C 9 31.864 30.261 30.146 1.00 41.45 C
+ATOM 715 CE1 PHE C 9 30.598 28.056 29.043 1.00 41.45 C
+ATOM 716 CE2 PHE C 9 32.367 28.983 30.373 1.00 41.45 C
+ATOM 717 CZ PHE C 9 31.732 27.882 29.821 1.00 41.45 C
+ATOM 718 N GLY C 10 29.661 34.634 27.025 1.00 36.36 N
+ATOM 719 CA GLY C 10 28.377 35.295 26.852 1.00 36.36 C
+ATOM 720 C GLY C 10 27.659 34.880 25.582 1.00 36.36 C
+ATOM 721 O GLY C 10 26.644 35.475 25.214 1.00 36.36 O
+ATOM 722 N GLY C 11 28.351 34.408 24.528 1.00 39.73 N
+ATOM 723 CA GLY C 11 27.545 34.249 23.328 1.00 39.73 C
+ATOM 724 C GLY C 11 26.366 33.315 23.520 1.00 39.73 C
+ATOM 725 O GLY C 11 26.546 32.129 23.806 1.00 39.73 O
+ATOM 726 N SER C 12 25.401 33.576 24.408 1.00 40.23 N
+ATOM 727 CA SER C 12 24.090 32.936 24.457 1.00 40.23 C
+ATOM 728 C SER C 12 23.507 32.761 23.059 1.00 40.23 C
+ATOM 729 CB SER C 12 23.128 33.750 25.323 1.00 40.23 C
+ATOM 730 O SER C 12 23.195 33.745 22.384 1.00 40.23 O
+ATOM 731 OG SER C 12 23.152 35.118 24.951 1.00 40.23 O
+ATOM 732 N GLY C 13 24.093 32.117 22.122 1.00 39.14 N
+ATOM 733 CA GLY C 13 23.386 31.671 20.933 1.00 39.14 C
+ATOM 734 C GLY C 13 21.961 31.232 21.215 1.00 39.14 C
+ATOM 735 O GLY C 13 21.714 30.481 22.161 1.00 39.14 O
+ATOM 736 N SER C 14 20.927 32.074 21.222 1.00 42.15 N
+ATOM 737 CA SER C 14 19.519 31.719 21.075 1.00 42.15 C
+ATOM 738 C SER C 14 19.345 30.517 20.154 1.00 42.15 C
+ATOM 739 CB SER C 14 18.720 32.906 20.534 1.00 42.15 C
+ATOM 740 O SER C 14 19.736 30.561 18.986 1.00 42.15 O
+ATOM 741 OG SER C 14 17.343 32.587 20.445 1.00 42.15 O
+ATOM 742 N GLY C 15 19.570 29.442 20.510 1.00 44.56 N
+ATOM 743 CA GLY C 15 19.140 28.238 19.818 1.00 44.56 C
+ATOM 744 C GLY C 15 17.753 28.359 19.215 1.00 44.56 C
+ATOM 745 O GLY C 15 16.752 28.153 19.903 1.00 44.56 O
+ATOM 746 N LYS C 16 17.369 29.482 18.564 1.00 51.09 N
+ATOM 747 CA LYS C 16 16.088 29.469 17.863 1.00 51.09 C
+ATOM 748 C LYS C 16 15.926 28.196 17.038 1.00 51.09 C
+ATOM 749 CB LYS C 16 15.956 30.698 16.963 1.00 51.09 C
+ATOM 750 O LYS C 16 16.774 27.881 16.200 1.00 51.09 O
+ATOM 751 CG LYS C 16 15.163 31.838 17.584 1.00 51.09 C
+ATOM 752 CD LYS C 16 15.033 33.016 16.626 1.00 51.09 C
+ATOM 753 CE LYS C 16 13.606 33.544 16.578 1.00 51.09 C
+ATOM 754 NZ LYS C 16 13.543 35.000 16.904 1.00 51.09 N
+ATOM 755 N LEU C 17 15.546 27.116 17.604 1.00 57.77 N
+ATOM 756 CA LEU C 17 15.103 25.987 16.792 1.00 57.77 C
+ATOM 757 C LEU C 17 14.422 26.470 15.516 1.00 57.77 C
+ATOM 758 CB LEU C 17 14.147 25.096 17.589 1.00 57.77 C
+ATOM 759 O LEU C 17 13.444 27.219 15.574 1.00 57.77 O
+ATOM 760 CG LEU C 17 14.750 24.351 18.781 1.00 57.77 C
+ATOM 761 CD1 LEU C 17 13.652 23.667 19.589 1.00 57.77 C
+ATOM 762 CD2 LEU C 17 15.786 23.336 18.311 1.00 57.77 C
+ATOM 763 N ASP C 18 15.245 26.734 14.491 1.00 71.20 N
+ATOM 764 CA ASP C 18 14.716 27.078 13.175 1.00 71.20 C
+ATOM 765 C ASP C 18 13.625 26.098 12.749 1.00 71.20 C
+ATOM 766 CB ASP C 18 15.837 27.102 12.135 1.00 71.20 C
+ATOM 767 O ASP C 18 13.903 24.925 12.492 1.00 71.20 O
+ATOM 768 CG ASP C 18 15.461 27.860 10.874 1.00 71.20 C
+ATOM 769 OD1 ASP C 18 14.253 28.028 10.601 1.00 71.20 O
+ATOM 770 OD2 ASP C 18 16.381 28.291 10.146 1.00 71.20 O
+ATOM 771 N PRO C 19 12.374 26.513 12.971 1.00 72.53 N
+ATOM 772 CA PRO C 19 11.250 25.667 12.562 1.00 72.53 C
+ATOM 773 C PRO C 19 11.486 24.982 11.217 1.00 72.53 C
+ATOM 774 CB PRO C 19 10.081 26.651 12.476 1.00 72.53 C
+ATOM 775 O PRO C 19 11.061 23.842 11.018 1.00 72.53 O
+ATOM 776 CG PRO C 19 10.504 27.821 13.305 1.00 72.53 C
+ATOM 777 CD PRO C 19 12.005 27.856 13.349 1.00 72.53 C
+ATOM 778 N GLY C 20 12.177 25.666 10.327 1.00 73.42 N
+ATOM 779 CA GLY C 20 12.487 25.091 9.028 1.00 73.42 C
+ATOM 780 C GLY C 20 13.450 23.922 9.107 1.00 73.42 C
+ATOM 781 O GLY C 20 13.263 22.910 8.428 1.00 73.42 O
+ATOM 782 N LEU C 21 14.481 24.103 9.955 1.00 80.45 N
+ATOM 783 CA LEU C 21 15.462 23.039 10.134 1.00 80.45 C
+ATOM 784 C LEU C 21 14.846 21.847 10.859 1.00 80.45 C
+ATOM 785 CB LEU C 21 16.675 23.554 10.914 1.00 80.45 C
+ATOM 786 O LEU C 21 15.123 20.696 10.517 1.00 80.45 O
+ATOM 787 CG LEU C 21 18.017 22.893 10.594 1.00 80.45 C
+ATOM 788 CD1 LEU C 21 18.915 23.859 9.829 1.00 80.45 C
+ATOM 789 CD2 LEU C 21 18.699 22.421 11.874 1.00 80.45 C
+ATOM 790 N ILE C 22 14.085 22.148 11.819 1.00 78.02 N
+ATOM 791 CA ILE C 22 13.408 21.096 12.570 1.00 78.02 C
+ATOM 792 C ILE C 22 12.483 20.312 11.643 1.00 78.02 C
+ATOM 793 CB ILE C 22 12.609 21.676 13.759 1.00 78.02 C
+ATOM 794 O ILE C 22 12.476 19.079 11.661 1.00 78.02 O
+ATOM 795 CG1 ILE C 22 13.560 22.295 14.791 1.00 78.02 C
+ATOM 796 CG2 ILE C 22 11.734 20.595 14.400 1.00 78.02 C
+ATOM 797 CD1 ILE C 22 12.854 23.047 15.910 1.00 78.02 C
+ATOM 798 N MET C 23 11.716 21.023 10.846 1.00 80.76 N
+ATOM 799 CA MET C 23 10.804 20.378 9.906 1.00 80.76 C
+ATOM 800 C MET C 23 11.570 19.511 8.912 1.00 80.76 C
+ATOM 801 CB MET C 23 9.975 21.423 9.157 1.00 80.76 C
+ATOM 802 O MET C 23 11.136 18.407 8.581 1.00 80.76 O
+ATOM 803 CG MET C 23 8.929 20.827 8.229 1.00 80.76 C
+ATOM 804 SD MET C 23 7.712 19.782 9.121 1.00 80.76 S
+ATOM 805 CE MET C 23 6.634 21.068 9.813 1.00 80.76 C
+ATOM 806 N GLU C 24 12.674 20.009 8.463 1.00 84.62 N
+ATOM 807 CA GLU C 24 13.499 19.243 7.534 1.00 84.62 C
+ATOM 808 C GLU C 24 13.990 17.947 8.172 1.00 84.62 C
+ATOM 809 CB GLU C 24 14.690 20.079 7.057 1.00 84.62 C
+ATOM 810 O GLU C 24 13.995 16.895 7.529 1.00 84.62 O
+ATOM 811 CG GLU C 24 15.523 19.403 5.978 1.00 84.62 C
+ATOM 812 CD GLU C 24 14.770 19.212 4.671 1.00 84.62 C
+ATOM 813 OE1 GLU C 24 15.301 18.539 3.758 1.00 84.62 O
+ATOM 814 OE2 GLU C 24 13.641 19.740 4.559 1.00 84.62 O
+ATOM 815 N GLN C 25 14.369 18.024 9.378 1.00 86.92 N
+ATOM 816 CA GLN C 25 14.822 16.840 10.099 1.00 86.92 C
+ATOM 817 C GLN C 25 13.684 15.839 10.282 1.00 86.92 C
+ATOM 818 CB GLN C 25 15.402 17.228 11.460 1.00 86.92 C
+ATOM 819 O GLN C 25 13.888 14.630 10.151 1.00 86.92 O
+ATOM 820 CG GLN C 25 16.781 17.871 11.380 1.00 86.92 C
+ATOM 821 CD GLN C 25 17.325 18.264 12.740 1.00 86.92 C
+ATOM 822 NE2 GLN C 25 18.622 18.059 12.942 1.00 86.92 N
+ATOM 823 OE1 GLN C 25 16.586 18.750 13.602 1.00 86.92 O
+ATOM 824 N VAL C 26 12.559 16.349 10.532 1.00 84.86 N
+ATOM 825 CA VAL C 26 11.388 15.497 10.706 1.00 84.86 C
+ATOM 826 C VAL C 26 11.049 14.806 9.387 1.00 84.86 C
+ATOM 827 CB VAL C 26 10.170 16.302 11.214 1.00 84.86 C
+ATOM 828 O VAL C 26 10.766 13.606 9.362 1.00 84.86 O
+ATOM 829 CG1 VAL C 26 8.905 15.446 11.182 1.00 84.86 C
+ATOM 830 CG2 VAL C 26 10.429 16.826 12.626 1.00 84.86 C
+ATOM 831 N LYS C 27 11.145 15.529 8.316 1.00 85.84 N
+ATOM 832 CA LYS C 27 10.865 14.977 6.994 1.00 85.84 C
+ATOM 833 C LYS C 27 11.833 13.848 6.653 1.00 85.84 C
+ATOM 834 CB LYS C 27 10.940 16.072 5.928 1.00 85.84 C
+ATOM 835 O LYS C 27 11.427 12.818 6.110 1.00 85.84 O
+ATOM 836 CG LYS C 27 9.737 17.002 5.910 1.00 85.84 C
+ATOM 837 CD LYS C 27 9.827 18.011 4.773 1.00 85.84 C
+ATOM 838 CE LYS C 27 8.589 18.896 4.709 1.00 85.84 C
+ATOM 839 NZ LYS C 27 8.693 19.916 3.623 1.00 85.84 N
+ATOM 840 N VAL C 28 13.111 14.078 6.993 1.00 90.49 N
+ATOM 841 CA VAL C 28 14.119 13.063 6.706 1.00 90.49 C
+ATOM 842 C VAL C 28 13.843 11.811 7.536 1.00 90.49 C
+ATOM 843 CB VAL C 28 15.546 13.585 6.988 1.00 90.49 C
+ATOM 844 O VAL C 28 13.925 10.691 7.026 1.00 90.49 O
+ATOM 845 CG1 VAL C 28 16.560 12.444 6.928 1.00 90.49 C
+ATOM 846 CG2 VAL C 28 15.917 14.686 5.996 1.00 90.49 C
+ATOM 847 N GLN C 29 13.485 12.012 8.747 1.00 91.26 N
+ATOM 848 CA GLN C 29 13.200 10.876 9.618 1.00 91.26 C
+ATOM 849 C GLN C 29 11.970 10.110 9.137 1.00 91.26 C
+ATOM 850 CB GLN C 29 12.998 11.342 11.060 1.00 91.26 C
+ATOM 851 O GLN C 29 11.929 8.880 9.215 1.00 91.26 O
+ATOM 852 CG GLN C 29 14.281 11.787 11.748 1.00 91.26 C
+ATOM 853 CD GLN C 29 15.276 10.655 11.925 1.00 91.26 C
+ATOM 854 NE2 GLN C 29 16.562 10.986 11.898 1.00 91.26 N
+ATOM 855 OE1 GLN C 29 14.891 9.492 12.086 1.00 91.26 O
+ATOM 856 N ILE C 30 11.000 10.830 8.612 1.00 89.28 N
+ATOM 857 CA ILE C 30 9.798 10.201 8.074 1.00 89.28 C
+ATOM 858 C ILE C 30 10.149 9.403 6.821 1.00 89.28 C
+ATOM 859 CB ILE C 30 8.707 11.248 7.755 1.00 89.28 C
+ATOM 860 O ILE C 30 9.700 8.266 6.655 1.00 89.28 O
+ATOM 861 CG1 ILE C 30 8.156 11.857 9.049 1.00 89.28 C
+ATOM 862 CG2 ILE C 30 7.584 10.621 6.923 1.00 89.28 C
+ATOM 863 CD1 ILE C 30 7.212 13.031 8.828 1.00 89.28 C
+ATOM 864 N ALA C 31 10.996 9.974 6.005 1.00 90.49 N
+ATOM 865 CA ALA C 31 11.416 9.303 4.778 1.00 90.49 C
+ATOM 866 C ALA C 31 12.174 8.015 5.089 1.00 90.49 C
+ATOM 867 CB ALA C 31 12.281 10.233 3.931 1.00 90.49 C
+ATOM 868 O ALA C 31 11.965 6.991 4.435 1.00 90.49 O
+ATOM 869 N VAL C 32 13.053 8.132 6.067 1.00 93.81 N
+ATOM 870 CA VAL C 32 13.836 6.956 6.431 1.00 93.81 C
+ATOM 871 C VAL C 32 12.913 5.870 6.979 1.00 93.81 C
+ATOM 872 CB VAL C 32 14.929 7.300 7.468 1.00 93.81 C
+ATOM 873 O VAL C 32 13.040 4.698 6.617 1.00 93.81 O
+ATOM 874 CG1 VAL C 32 15.546 6.027 8.045 1.00 93.81 C
+ATOM 875 CG2 VAL C 32 16.005 8.181 6.836 1.00 93.81 C
+ATOM 876 N ALA C 33 12.033 6.178 7.799 1.00 92.72 N
+ATOM 877 CA ALA C 33 11.080 5.224 8.361 1.00 92.72 C
+ATOM 878 C ALA C 33 10.213 4.607 7.267 1.00 92.72 C
+ATOM 879 CB ALA C 33 10.204 5.903 9.411 1.00 92.72 C
+ATOM 880 O ALA C 33 9.937 3.405 7.289 1.00 92.72 O
+ATOM 881 N ASN C 34 9.758 5.404 6.350 1.00 91.96 N
+ATOM 882 CA ASN C 34 8.950 4.920 5.236 1.00 91.96 C
+ATOM 883 C ASN C 34 9.726 3.935 4.367 1.00 91.96 C
+ATOM 884 CB ASN C 34 8.445 6.091 4.391 1.00 91.96 C
+ATOM 885 O ASN C 34 9.186 2.907 3.954 1.00 91.96 O
+ATOM 886 CG ASN C 34 7.293 6.829 5.043 1.00 91.96 C
+ATOM 887 ND2 ASN C 34 7.060 8.064 4.614 1.00 91.96 N
+ATOM 888 OD1 ASN C 34 6.617 6.294 5.926 1.00 91.96 O
+ATOM 889 N ALA C 35 10.989 4.299 4.154 1.00 93.58 N
+ATOM 890 CA ALA C 35 11.838 3.418 3.355 1.00 93.58 C
+ATOM 891 C ALA C 35 12.041 2.075 4.050 1.00 93.58 C
+ATOM 892 CB ALA C 35 13.185 4.082 3.083 1.00 93.58 C
+ATOM 893 O ALA C 35 12.026 1.025 3.402 1.00 93.58 O
+ATOM 894 N GLN C 36 12.274 2.113 5.321 1.00 96.35 N
+ATOM 895 CA GLN C 36 12.469 0.885 6.083 1.00 96.35 C
+ATOM 896 C GLN C 36 11.237 -0.012 6.007 1.00 96.35 C
+ATOM 897 CB GLN C 36 12.796 1.205 7.543 1.00 96.35 C
+ATOM 898 O GLN C 36 11.356 -1.227 5.831 1.00 96.35 O
+ATOM 899 CG GLN C 36 14.197 1.763 7.751 1.00 96.35 C
+ATOM 900 CD GLN C 36 14.464 2.157 9.191 1.00 96.35 C
+ATOM 901 NE2 GLN C 36 15.738 2.307 9.539 1.00 96.35 N
+ATOM 902 OE1 GLN C 36 13.533 2.326 9.985 1.00 96.35 O
+ATOM 903 N GLU C 37 10.096 0.611 6.123 1.00 95.41 N
+ATOM 904 CA GLU C 37 8.849 -0.142 6.038 1.00 95.41 C
+ATOM 905 C GLU C 37 8.665 -0.749 4.650 1.00 95.41 C
+ATOM 906 CB GLU C 37 7.656 0.753 6.382 1.00 95.41 C
+ATOM 907 O GLU C 37 8.286 -1.915 4.522 1.00 95.41 O
+ATOM 908 CG GLU C 37 6.319 0.026 6.377 1.00 95.41 C
+ATOM 909 CD GLU C 37 5.165 0.886 6.865 1.00 95.41 C
+ATOM 910 OE1 GLU C 37 4.036 0.365 7.005 1.00 95.41 O
+ATOM 911 OE2 GLU C 37 5.392 2.093 7.109 1.00 95.41 O
+ATOM 912 N LEU C 38 8.955 -0.006 3.696 1.00 95.78 N
+ATOM 913 CA LEU C 38 8.850 -0.488 2.323 1.00 95.78 C
+ATOM 914 C LEU C 38 9.783 -1.672 2.089 1.00 95.78 C
+ATOM 915 CB LEU C 38 9.173 0.635 1.334 1.00 95.78 C
+ATOM 916 O LEU C 38 9.371 -2.692 1.534 1.00 95.78 O
+ATOM 917 CG LEU C 38 9.132 0.265 -0.149 1.00 95.78 C
+ATOM 918 CD1 LEU C 38 7.721 -0.150 -0.553 1.00 95.78 C
+ATOM 919 CD2 LEU C 38 9.617 1.430 -1.005 1.00 95.78 C
+ATOM 920 N LEU C 39 10.981 -1.530 2.562 1.00 97.33 N
+ATOM 921 CA LEU C 39 11.963 -2.594 2.387 1.00 97.33 C
+ATOM 922 C LEU C 39 11.521 -3.866 3.103 1.00 97.33 C
+ATOM 923 CB LEU C 39 13.333 -2.151 2.907 1.00 97.33 C
+ATOM 924 O LEU C 39 11.681 -4.969 2.575 1.00 97.33 O
+ATOM 925 CG LEU C 39 14.116 -1.184 2.018 1.00 97.33 C
+ATOM 926 CD1 LEU C 39 15.373 -0.704 2.735 1.00 97.33 C
+ATOM 927 CD2 LEU C 39 14.471 -1.846 0.691 1.00 97.33 C
+ATOM 928 N GLN C 40 11.038 -3.734 4.226 1.00 97.68 N
+ATOM 929 CA GLN C 40 10.576 -4.882 4.999 1.00 97.68 C
+ATOM 930 C GLN C 40 9.427 -5.595 4.291 1.00 97.68 C
+ATOM 931 CB GLN C 40 10.141 -4.448 6.399 1.00 97.68 C
+ATOM 932 O GLN C 40 9.422 -6.824 4.187 1.00 97.68 O
+ATOM 933 CG GLN C 40 9.780 -5.608 7.318 1.00 97.68 C
+ATOM 934 CD GLN C 40 9.503 -5.164 8.742 1.00 97.68 C
+ATOM 935 NE2 GLN C 40 8.975 -6.073 9.555 1.00 97.68 N
+ATOM 936 OE1 GLN C 40 9.761 -4.013 9.109 1.00 97.68 O
+ATOM 937 N ARG C 41 8.515 -4.831 3.805 1.00 97.38 N
+ATOM 938 CA ARG C 41 7.371 -5.412 3.110 1.00 97.38 C
+ATOM 939 C ARG C 41 7.804 -6.091 1.815 1.00 97.38 C
+ATOM 940 CB ARG C 41 6.320 -4.340 2.814 1.00 97.38 C
+ATOM 941 O ARG C 41 7.356 -7.198 1.508 1.00 97.38 O
+ATOM 942 CG ARG C 41 5.643 -3.781 4.055 1.00 97.38 C
+ATOM 943 CD ARG C 41 4.383 -3.001 3.708 1.00 97.38 C
+ATOM 944 NE ARG C 41 3.671 -2.565 4.906 1.00 97.38 N
+ATOM 945 NH1 ARG C 41 1.697 -3.641 4.375 1.00 97.38 N
+ATOM 946 NH2 ARG C 41 1.861 -2.429 6.313 1.00 97.38 N
+ATOM 947 CZ ARG C 41 2.411 -2.879 5.195 1.00 97.38 C
+ATOM 948 N MET C 42 8.662 -5.454 1.114 1.00 97.42 N
+ATOM 949 CA MET C 42 9.176 -6.029 -0.125 1.00 97.42 C
+ATOM 950 C MET C 42 9.938 -7.321 0.149 1.00 97.42 C
+ATOM 951 CB MET C 42 10.082 -5.031 -0.847 1.00 97.42 C
+ATOM 952 O MET C 42 9.798 -8.299 -0.588 1.00 97.42 O
+ATOM 953 CG MET C 42 10.498 -5.476 -2.240 1.00 97.42 C
+ATOM 954 SD MET C 42 11.343 -4.146 -3.180 1.00 97.42 S
+ATOM 955 CE MET C 42 12.698 -3.758 -2.038 1.00 97.42 C
+ATOM 956 N THR C 43 10.667 -7.258 1.216 1.00 97.96 N
+ATOM 957 CA THR C 43 11.435 -8.437 1.600 1.00 97.96 C
+ATOM 958 C THR C 43 10.509 -9.616 1.886 1.00 97.96 C
+ATOM 959 CB THR C 43 12.308 -8.156 2.837 1.00 97.96 C
+ATOM 960 O THR C 43 10.755 -10.731 1.422 1.00 97.96 O
+ATOM 961 CG2 THR C 43 13.036 -9.416 3.294 1.00 97.96 C
+ATOM 962 OG1 THR C 43 13.276 -7.150 2.512 1.00 97.96 O
+ATOM 963 N ASP C 44 9.465 -9.382 2.615 1.00 97.57 N
+ATOM 964 CA ASP C 44 8.508 -10.430 2.956 1.00 97.57 C
+ATOM 965 C ASP C 44 7.891 -11.042 1.701 1.00 97.57 C
+ATOM 966 CB ASP C 44 7.409 -9.878 3.867 1.00 97.57 C
+ATOM 967 O ASP C 44 7.831 -12.266 1.565 1.00 97.57 O
+ATOM 968 CG ASP C 44 7.873 -9.671 5.298 1.00 97.57 C
+ATOM 969 OD1 ASP C 44 8.916 -10.238 5.689 1.00 97.57 O
+ATOM 970 OD2 ASP C 44 7.187 -8.938 6.042 1.00 97.57 O
+ATOM 971 N LYS C 45 7.581 -10.262 0.801 1.00 97.67 N
+ATOM 972 CA LYS C 45 6.913 -10.720 -0.414 1.00 97.67 C
+ATOM 973 C LYS C 45 7.882 -11.468 -1.325 1.00 97.67 C
+ATOM 974 CB LYS C 45 6.295 -9.539 -1.164 1.00 97.67 C
+ATOM 975 O LYS C 45 7.555 -12.538 -1.843 1.00 97.67 O
+ATOM 976 CG LYS C 45 5.219 -8.802 -0.380 1.00 97.67 C
+ATOM 977 CD LYS C 45 4.017 -9.696 -0.104 1.00 97.67 C
+ATOM 978 CE LYS C 45 2.939 -8.958 0.678 1.00 97.67 C
+ATOM 979 NZ LYS C 45 1.870 -9.885 1.156 1.00 97.67 N
+ATOM 980 N CYS C 46 9.013 -10.918 -1.420 1.00 98.15 N
+ATOM 981 CA CYS C 46 9.990 -11.544 -2.304 1.00 98.15 C
+ATOM 982 C CYS C 46 10.506 -12.849 -1.711 1.00 98.15 C
+ATOM 983 CB CYS C 46 11.159 -10.596 -2.569 1.00 98.15 C
+ATOM 984 O CYS C 46 10.783 -13.802 -2.441 1.00 98.15 O
+ATOM 985 SG CYS C 46 10.721 -9.166 -3.582 1.00 98.15 S
+ATOM 986 N PHE C 47 10.587 -12.866 -0.413 1.00 97.41 N
+ATOM 987 CA PHE C 47 11.002 -14.099 0.246 1.00 97.41 C
+ATOM 988 C PHE C 47 10.020 -15.227 -0.047 1.00 97.41 C
+ATOM 989 CB PHE C 47 11.124 -13.888 1.758 1.00 97.41 C
+ATOM 990 O PHE C 47 10.428 -16.345 -0.369 1.00 97.41 O
+ATOM 991 CG PHE C 47 11.621 -15.097 2.502 1.00 97.41 C
+ATOM 992 CD1 PHE C 47 10.732 -15.948 3.148 1.00 97.41 C
+ATOM 993 CD2 PHE C 47 12.979 -15.384 2.557 1.00 97.41 C
+ATOM 994 CE1 PHE C 47 11.190 -17.068 3.837 1.00 97.41 C
+ATOM 995 CE2 PHE C 47 13.444 -16.501 3.244 1.00 97.41 C
+ATOM 996 CZ PHE C 47 12.548 -17.342 3.884 1.00 97.41 C
+ATOM 997 N ARG C 48 8.776 -14.933 -0.075 1.00 95.86 N
+ATOM 998 CA ARG C 48 7.731 -15.931 -0.283 1.00 95.86 C
+ATOM 999 C ARG C 48 7.700 -16.396 -1.734 1.00 95.86 C
+ATOM 1000 CB ARG C 48 6.365 -15.370 0.118 1.00 95.86 C
+ATOM 1001 O ARG C 48 7.471 -17.576 -2.009 1.00 95.86 O
+ATOM 1002 CG ARG C 48 6.178 -15.216 1.619 1.00 95.86 C
+ATOM 1003 CD ARG C 48 4.791 -14.692 1.963 1.00 95.86 C
+ATOM 1004 NE ARG C 48 4.675 -14.366 3.382 1.00 95.86 N
+ATOM 1005 NH1 ARG C 48 2.900 -15.791 3.776 1.00 95.86 N
+ATOM 1006 NH2 ARG C 48 3.763 -14.528 5.483 1.00 95.86 N
+ATOM 1007 CZ ARG C 48 3.780 -14.896 4.211 1.00 95.86 C
+ATOM 1008 N LYS C 49 8.030 -15.511 -2.571 1.00 96.46 N
+ATOM 1009 CA LYS C 49 7.899 -15.826 -3.990 1.00 96.46 C
+ATOM 1010 C LYS C 49 9.168 -16.481 -4.528 1.00 96.46 C
+ATOM 1011 CB LYS C 49 7.579 -14.564 -4.794 1.00 96.46 C
+ATOM 1012 O LYS C 49 9.109 -17.297 -5.449 1.00 96.46 O
+ATOM 1013 CG LYS C 49 6.163 -14.046 -4.595 1.00 96.46 C
+ATOM 1014 CD LYS C 49 5.789 -13.019 -5.656 1.00 96.46 C
+ATOM 1015 CE LYS C 49 4.371 -12.502 -5.460 1.00 96.46 C
+ATOM 1016 NZ LYS C 49 3.354 -13.462 -5.983 1.00 96.46 N
+ATOM 1017 N CYS C 50 10.324 -16.178 -3.931 1.00 97.14 N
+ATOM 1018 CA CYS C 50 11.565 -16.534 -4.610 1.00 97.14 C
+ATOM 1019 C CYS C 50 12.326 -17.602 -3.832 1.00 97.14 C
+ATOM 1020 CB CYS C 50 12.447 -15.301 -4.797 1.00 97.14 C
+ATOM 1021 O CYS C 50 13.181 -18.291 -4.390 1.00 97.14 O
+ATOM 1022 SG CYS C 50 11.731 -14.052 -5.888 1.00 97.14 S
+ATOM 1023 N ILE C 51 11.993 -17.656 -2.527 1.00 97.22 N
+ATOM 1024 CA ILE C 51 12.734 -18.618 -1.718 1.00 97.22 C
+ATOM 1025 C ILE C 51 11.825 -19.787 -1.345 1.00 97.22 C
+ATOM 1026 CB ILE C 51 13.311 -17.961 -0.444 1.00 97.22 C
+ATOM 1027 O ILE C 51 10.973 -19.663 -0.462 1.00 97.22 O
+ATOM 1028 CG1 ILE C 51 14.057 -16.670 -0.801 1.00 97.22 C
+ATOM 1029 CG2 ILE C 51 14.227 -18.936 0.300 1.00 97.22 C
+ATOM 1030 CD1 ILE C 51 15.223 -16.874 -1.759 1.00 97.22 C
+ATOM 1031 N GLY C 52 11.931 -20.934 -2.057 1.00 91.98 N
+ATOM 1032 CA GLY C 52 11.146 -22.121 -1.755 1.00 91.98 C
+ATOM 1033 C GLY C 52 11.600 -22.833 -0.495 1.00 91.98 C
+ATOM 1034 O GLY C 52 10.795 -23.093 0.401 1.00 91.98 O
+ATOM 1035 N LYS C 53 12.783 -23.187 -0.479 1.00 92.74 N
+ATOM 1036 CA LYS C 53 13.430 -23.791 0.682 1.00 92.74 C
+ATOM 1037 C LYS C 53 14.735 -23.074 1.019 1.00 92.74 C
+ATOM 1038 CB LYS C 53 13.697 -25.276 0.436 1.00 92.74 C
+ATOM 1039 O LYS C 53 15.576 -22.860 0.143 1.00 92.74 O
+ATOM 1040 CG LYS C 53 14.101 -26.048 1.683 1.00 92.74 C
+ATOM 1041 CD LYS C 53 14.293 -27.530 1.386 1.00 92.74 C
+ATOM 1042 CE LYS C 53 14.777 -28.289 2.615 1.00 92.74 C
+ATOM 1043 NZ LYS C 53 14.960 -29.744 2.330 1.00 92.74 N
+ATOM 1044 N PRO C 54 14.868 -22.730 2.307 1.00 89.43 N
+ATOM 1045 CA PRO C 54 16.102 -22.026 2.663 1.00 89.43 C
+ATOM 1046 C PRO C 54 17.337 -22.920 2.579 1.00 89.43 C
+ATOM 1047 CB PRO C 54 15.849 -21.577 4.104 1.00 89.43 C
+ATOM 1048 O PRO C 54 17.324 -24.045 3.085 1.00 89.43 O
+ATOM 1049 CG PRO C 54 14.722 -22.436 4.579 1.00 89.43 C
+ATOM 1050 CD PRO C 54 14.004 -22.987 3.381 1.00 89.43 C
+ATOM 1051 N GLY C 55 18.221 -22.674 1.659 1.00 91.02 N
+ATOM 1052 CA GLY C 55 19.477 -23.392 1.513 1.00 91.02 C
+ATOM 1053 C GLY C 55 20.653 -22.672 2.145 1.00 91.02 C
+ATOM 1054 O GLY C 55 20.473 -21.848 3.044 1.00 91.02 O
+ATOM 1055 N GLY C 56 21.818 -23.104 1.732 1.00 91.79 N
+ATOM 1056 CA GLY C 56 23.024 -22.566 2.340 1.00 91.79 C
+ATOM 1057 C GLY C 56 23.420 -21.212 1.784 1.00 91.79 C
+ATOM 1058 O GLY C 56 24.196 -20.482 2.405 1.00 91.79 O
+ATOM 1059 N SER C 57 22.913 -20.905 0.635 1.00 95.36 N
+ATOM 1060 CA SER C 57 23.218 -19.638 -0.021 1.00 95.36 C
+ATOM 1061 C SER C 57 22.146 -19.273 -1.043 1.00 95.36 C
+ATOM 1062 CB SER C 57 24.584 -19.704 -0.705 1.00 95.36 C
+ATOM 1063 O SER C 57 21.298 -20.100 -1.383 1.00 95.36 O
+ATOM 1064 OG SER C 57 24.588 -20.685 -1.728 1.00 95.36 O
+ATOM 1065 N LEU C 58 22.147 -17.993 -1.331 1.00 96.20 N
+ATOM 1066 CA LEU C 58 21.288 -17.529 -2.415 1.00 96.20 C
+ATOM 1067 C LEU C 58 21.859 -17.930 -3.771 1.00 96.20 C
+ATOM 1068 CB LEU C 58 21.117 -16.009 -2.350 1.00 96.20 C
+ATOM 1069 O LEU C 58 22.806 -17.308 -4.259 1.00 96.20 O
+ATOM 1070 CG LEU C 58 19.771 -15.500 -1.832 1.00 96.20 C
+ATOM 1071 CD1 LEU C 58 19.978 -14.571 -0.640 1.00 96.20 C
+ATOM 1072 CD2 LEU C 58 19.005 -14.790 -2.943 1.00 96.20 C
+ATOM 1073 N ASP C 59 21.197 -18.961 -4.415 1.00 95.29 N
+ATOM 1074 CA ASP C 59 21.728 -19.383 -5.708 1.00 95.29 C
+ATOM 1075 C ASP C 59 21.380 -18.375 -6.800 1.00 95.29 C
+ATOM 1076 CB ASP C 59 21.194 -20.768 -6.081 1.00 95.29 C
+ATOM 1077 O ASP C 59 20.739 -17.356 -6.531 1.00 95.29 O
+ATOM 1078 CG ASP C 59 19.693 -20.782 -6.313 1.00 95.29 C
+ATOM 1079 OD1 ASP C 59 19.122 -19.731 -6.673 1.00 95.29 O
+ATOM 1080 OD2 ASP C 59 19.076 -21.854 -6.131 1.00 95.29 O
+ATOM 1081 N ASN C 60 21.880 -18.583 -8.050 1.00 96.52 N
+ATOM 1082 CA ASN C 60 21.725 -17.650 -9.161 1.00 96.52 C
+ATOM 1083 C ASN C 60 20.256 -17.447 -9.522 1.00 96.52 C
+ATOM 1084 CB ASN C 60 22.510 -18.134 -10.382 1.00 96.52 C
+ATOM 1085 O ASN C 60 19.822 -16.320 -9.765 1.00 96.52 O
+ATOM 1086 CG ASN C 60 22.554 -17.104 -11.493 1.00 96.52 C
+ATOM 1087 ND2 ASN C 60 21.935 -17.424 -12.624 1.00 96.52 N
+ATOM 1088 OD1 ASN C 60 23.140 -16.029 -11.338 1.00 96.52 O
+ATOM 1089 N SER C 61 19.509 -18.592 -9.480 1.00 95.40 N
+ATOM 1090 CA SER C 61 18.092 -18.521 -9.820 1.00 95.40 C
+ATOM 1091 C SER C 61 17.322 -17.682 -8.805 1.00 95.40 C
+ATOM 1092 CB SER C 61 17.488 -19.924 -9.897 1.00 95.40 C
+ATOM 1093 O SER C 61 16.474 -16.869 -9.179 1.00 95.40 O
+ATOM 1094 OG SER C 61 16.102 -19.860 -10.187 1.00 95.40 O
+ATOM 1095 N GLU C 62 17.656 -17.805 -7.515 1.00 96.50 N
+ATOM 1096 CA GLU C 62 17.001 -17.040 -6.458 1.00 96.50 C
+ATOM 1097 C GLU C 62 17.381 -15.564 -6.529 1.00 96.50 C
+ATOM 1098 CB GLU C 62 17.358 -17.610 -5.082 1.00 96.50 C
+ATOM 1099 O GLU C 62 16.536 -14.690 -6.324 1.00 96.50 O
+ATOM 1100 CG GLU C 62 16.725 -18.963 -4.794 1.00 96.50 C
+ATOM 1101 CD GLU C 62 17.217 -19.593 -3.501 1.00 96.50 C
+ATOM 1102 OE1 GLU C 62 16.428 -20.293 -2.827 1.00 96.50 O
+ATOM 1103 OE2 GLU C 62 18.402 -19.384 -3.158 1.00 96.50 O
+ATOM 1104 N GLN C 63 18.599 -15.274 -6.840 1.00 97.02 N
+ATOM 1105 CA GLN C 63 19.055 -13.894 -6.967 1.00 97.02 C
+ATOM 1106 C GLN C 63 18.332 -13.178 -8.104 1.00 97.02 C
+ATOM 1107 CB GLN C 63 20.567 -13.846 -7.193 1.00 97.02 C
+ATOM 1108 O GLN C 63 17.917 -12.026 -7.955 1.00 97.02 O
+ATOM 1109 CG GLN C 63 21.385 -14.208 -5.961 1.00 97.02 C
+ATOM 1110 CD GLN C 63 22.881 -14.129 -6.206 1.00 97.02 C
+ATOM 1111 NE2 GLN C 63 23.666 -14.531 -5.212 1.00 97.02 N
+ATOM 1112 OE1 GLN C 63 23.326 -13.711 -7.279 1.00 97.02 O
+ATOM 1113 N LYS C 64 18.209 -13.885 -9.202 1.00 96.89 N
+ATOM 1114 CA LYS C 64 17.498 -13.314 -10.343 1.00 96.89 C
+ATOM 1115 C LYS C 64 16.024 -13.095 -10.018 1.00 96.89 C
+ATOM 1116 CB LYS C 64 17.636 -14.218 -11.568 1.00 96.89 C
+ATOM 1117 O LYS C 64 15.456 -12.053 -10.355 1.00 96.89 O
+ATOM 1118 CG LYS C 64 17.065 -13.620 -12.846 1.00 96.89 C
+ATOM 1119 CD LYS C 64 17.346 -14.507 -14.052 1.00 96.89 C
+ATOM 1120 CE LYS C 64 16.750 -13.924 -15.326 1.00 96.89 C
+ATOM 1121 NZ LYS C 64 17.039 -14.781 -16.515 1.00 96.89 N
+ATOM 1122 N CYS C 65 15.441 -14.105 -9.365 1.00 97.25 N
+ATOM 1123 CA CYS C 65 14.040 -14.005 -8.972 1.00 97.25 C
+ATOM 1124 C CYS C 65 13.816 -12.814 -8.048 1.00 97.25 C
+ATOM 1125 CB CYS C 65 13.583 -15.290 -8.282 1.00 97.25 C
+ATOM 1126 O CYS C 65 12.874 -12.042 -8.239 1.00 97.25 O
+ATOM 1127 SG CYS C 65 11.868 -15.244 -7.718 1.00 97.25 S
+ATOM 1128 N ILE C 66 14.708 -12.555 -7.059 1.00 97.77 N
+ATOM 1129 CA ILE C 66 14.588 -11.479 -6.081 1.00 97.77 C
+ATOM 1130 C ILE C 66 14.717 -10.128 -6.781 1.00 97.77 C
+ATOM 1131 CB ILE C 66 15.649 -11.608 -4.965 1.00 97.77 C
+ATOM 1132 O ILE C 66 13.994 -9.182 -6.458 1.00 97.77 O
+ATOM 1133 CG1 ILE C 66 15.336 -12.811 -4.068 1.00 97.77 C
+ATOM 1134 CG2 ILE C 66 15.729 -10.318 -4.144 1.00 97.77 C
+ATOM 1135 CD1 ILE C 66 16.454 -13.166 -3.096 1.00 97.77 C
+ATOM 1136 N ALA C 67 15.609 -10.096 -7.739 1.00 97.37 N
+ATOM 1137 CA ALA C 67 15.765 -8.863 -8.505 1.00 97.37 C
+ATOM 1138 C ALA C 67 14.487 -8.524 -9.266 1.00 97.37 C
+ATOM 1139 CB ALA C 67 16.940 -8.983 -9.473 1.00 97.37 C
+ATOM 1140 O ALA C 67 14.016 -7.385 -9.225 1.00 97.37 O
+ATOM 1141 N MET C 68 13.936 -9.520 -9.862 1.00 98.07 N
+ATOM 1142 CA MET C 68 12.700 -9.312 -10.612 1.00 98.07 C
+ATOM 1143 C MET C 68 11.537 -9.011 -9.671 1.00 98.07 C
+ATOM 1144 CB MET C 68 12.377 -10.539 -11.467 1.00 98.07 C
+ATOM 1145 O MET C 68 10.679 -8.184 -9.984 1.00 98.07 O
+ATOM 1146 CG MET C 68 13.298 -10.712 -12.664 1.00 98.07 C
+ATOM 1147 SD MET C 68 12.745 -12.051 -13.789 1.00 98.07 S
+ATOM 1148 CE MET C 68 13.036 -13.497 -12.732 1.00 98.07 C
+ATOM 1149 N CYS C 69 11.546 -9.706 -8.570 1.00 98.19 N
+ATOM 1150 CA CYS C 69 10.500 -9.505 -7.574 1.00 98.19 C
+ATOM 1151 C CYS C 69 10.478 -8.059 -7.092 1.00 98.19 C
+ATOM 1152 CB CYS C 69 10.703 -10.445 -6.386 1.00 98.19 C
+ATOM 1153 O CYS C 69 9.417 -7.435 -7.035 1.00 98.19 O
+ATOM 1154 SG CYS C 69 9.450 -10.270 -5.097 1.00 98.19 S
+ATOM 1155 N MET C 70 11.616 -7.495 -6.753 1.00 98.20 N
+ATOM 1156 CA MET C 70 11.723 -6.110 -6.302 1.00 98.20 C
+ATOM 1157 C MET C 70 11.212 -5.149 -7.370 1.00 98.20 C
+ATOM 1158 CB MET C 70 13.171 -5.771 -5.944 1.00 98.20 C
+ATOM 1159 O MET C 70 10.453 -4.226 -7.069 1.00 98.20 O
+ATOM 1160 CG MET C 70 13.369 -4.336 -5.482 1.00 98.20 C
+ATOM 1161 SD MET C 70 15.135 -3.927 -5.196 1.00 98.20 S
+ATOM 1162 CE MET C 70 15.039 -2.115 -5.145 1.00 98.20 C
+ATOM 1163 N ASP C 71 11.591 -5.421 -8.638 1.00 97.97 N
+ATOM 1164 CA ASP C 71 11.160 -4.568 -9.741 1.00 97.97 C
+ATOM 1165 C ASP C 71 9.643 -4.613 -9.910 1.00 97.97 C
+ATOM 1166 CB ASP C 71 11.847 -4.986 -11.043 1.00 97.97 C
+ATOM 1167 O ASP C 71 8.997 -3.572 -10.042 1.00 97.97 O
+ATOM 1168 CG ASP C 71 13.333 -4.673 -11.056 1.00 97.97 C
+ATOM 1169 OD1 ASP C 71 13.790 -3.849 -10.236 1.00 97.97 O
+ATOM 1170 OD2 ASP C 71 14.053 -5.254 -11.897 1.00 97.97 O
+ATOM 1171 N ARG C 72 9.165 -5.759 -9.823 1.00 98.19 N
+ATOM 1172 CA ARG C 72 7.729 -5.929 -10.021 1.00 98.19 C
+ATOM 1173 C ARG C 72 6.943 -5.359 -8.846 1.00 98.19 C
+ATOM 1174 CB ARG C 72 7.384 -7.407 -10.215 1.00 98.19 C
+ATOM 1175 O ARG C 72 5.835 -4.848 -9.023 1.00 98.19 O
+ATOM 1176 CG ARG C 72 7.905 -7.996 -11.516 1.00 98.19 C
+ATOM 1177 CD ARG C 72 7.343 -7.269 -12.729 1.00 98.19 C
+ATOM 1178 NE ARG C 72 8.204 -6.164 -13.142 1.00 98.19 N
+ATOM 1179 NH1 ARG C 72 7.504 -6.169 -15.344 1.00 98.19 N
+ATOM 1180 NH2 ARG C 72 9.080 -4.660 -14.640 1.00 98.19 N
+ATOM 1181 CZ ARG C 72 8.261 -5.667 -14.374 1.00 98.19 C
+ATOM 1182 N TYR C 73 7.516 -5.506 -7.654 1.00 98.09 N
+ATOM 1183 CA TYR C 73 6.862 -4.893 -6.503 1.00 98.09 C
+ATOM 1184 C TYR C 73 6.727 -3.387 -6.691 1.00 98.09 C
+ATOM 1185 CB TYR C 73 7.643 -5.192 -5.219 1.00 98.09 C
+ATOM 1186 O TYR C 73 5.675 -2.811 -6.403 1.00 98.09 O
+ATOM 1187 CG TYR C 73 6.919 -4.781 -3.960 1.00 98.09 C
+ATOM 1188 CD1 TYR C 73 7.063 -3.498 -3.437 1.00 98.09 C
+ATOM 1189 CD2 TYR C 73 6.092 -5.676 -3.289 1.00 98.09 C
+ATOM 1190 CE1 TYR C 73 6.400 -3.116 -2.276 1.00 98.09 C
+ATOM 1191 CE2 TYR C 73 5.424 -5.305 -2.127 1.00 98.09 C
+ATOM 1192 OH TYR C 73 4.925 -3.652 -0.479 1.00 98.09 O
+ATOM 1193 CZ TYR C 73 5.584 -4.025 -1.629 1.00 98.09 C
+ATOM 1194 N MET C 74 7.766 -2.758 -7.188 1.00 97.87 N
+ATOM 1195 CA MET C 74 7.743 -1.316 -7.414 1.00 97.87 C
+ATOM 1196 C MET C 74 6.755 -0.954 -8.518 1.00 97.87 C
+ATOM 1197 CB MET C 74 9.139 -0.806 -7.775 1.00 97.87 C
+ATOM 1198 O MET C 74 6.036 0.041 -8.411 1.00 97.87 O
+ATOM 1199 CG MET C 74 10.135 -0.882 -6.628 1.00 97.87 C
+ATOM 1200 SD MET C 74 9.565 0.030 -5.141 1.00 97.87 S
+ATOM 1201 CE MET C 74 9.745 1.738 -5.725 1.00 97.87 C
+ATOM 1202 N ASP C 75 6.717 -1.812 -9.547 1.00 98.36 N
+ATOM 1203 CA ASP C 75 5.733 -1.600 -10.604 1.00 98.36 C
+ATOM 1204 C ASP C 75 4.311 -1.678 -10.054 1.00 98.36 C
+ATOM 1205 CB ASP C 75 5.920 -2.624 -11.725 1.00 98.36 C
+ATOM 1206 O ASP C 75 3.471 -0.832 -10.368 1.00 98.36 O
+ATOM 1207 CG ASP C 75 7.210 -2.423 -12.502 1.00 98.36 C
+ATOM 1208 OD1 ASP C 75 7.817 -1.335 -12.405 1.00 98.36 O
+ATOM 1209 OD2 ASP C 75 7.620 -3.360 -13.221 1.00 98.36 O
+ATOM 1210 N ALA C 76 4.113 -2.698 -9.311 1.00 98.62 N
+ATOM 1211 CA ALA C 76 2.791 -2.884 -8.717 1.00 98.62 C
+ATOM 1212 C ALA C 76 2.435 -1.720 -7.797 1.00 98.62 C
+ATOM 1213 CB ALA C 76 2.734 -4.202 -7.950 1.00 98.62 C
+ATOM 1214 O ALA C 76 1.291 -1.258 -7.785 1.00 98.62 O
+ATOM 1215 N TRP C 77 3.426 -1.297 -7.031 1.00 98.43 N
+ATOM 1216 CA TRP C 77 3.217 -0.160 -6.141 1.00 98.43 C
+ATOM 1217 C TRP C 77 2.714 1.053 -6.917 1.00 98.43 C
+ATOM 1218 CB TRP C 77 4.511 0.191 -5.402 1.00 98.43 C
+ATOM 1219 O TRP C 77 1.778 1.730 -6.485 1.00 98.43 O
+ATOM 1220 CG TRP C 77 4.383 1.358 -4.469 1.00 98.43 C
+ATOM 1221 CD1 TRP C 77 4.548 2.680 -4.776 1.00 98.43 C
+ATOM 1222 CD2 TRP C 77 4.068 1.305 -3.075 1.00 98.43 C
+ATOM 1223 CE2 TRP C 77 4.057 2.635 -2.598 1.00 98.43 C
+ATOM 1224 CE3 TRP C 77 3.792 0.262 -2.181 1.00 98.43 C
+ATOM 1225 NE1 TRP C 77 4.353 3.453 -3.655 1.00 98.43 N
+ATOM 1226 CH2 TRP C 77 3.515 1.909 -0.412 1.00 98.43 C
+ATOM 1227 CZ2 TRP C 77 3.781 2.948 -1.265 1.00 98.43 C
+ATOM 1228 CZ3 TRP C 77 3.518 0.576 -0.855 1.00 98.43 C
+ATOM 1229 N ASN C 78 3.288 1.335 -8.030 1.00 98.36 N
+ATOM 1230 CA ASN C 78 2.893 2.470 -8.858 1.00 98.36 C
+ATOM 1231 C ASN C 78 1.484 2.292 -9.418 1.00 98.36 C
+ATOM 1232 CB ASN C 78 3.894 2.679 -9.995 1.00 98.36 C
+ATOM 1233 O ASN C 78 0.693 3.236 -9.429 1.00 98.36 O
+ATOM 1234 CG ASN C 78 5.222 3.228 -9.512 1.00 98.36 C
+ATOM 1235 ND2 ASN C 78 6.292 2.911 -10.230 1.00 98.36 N
+ATOM 1236 OD1 ASN C 78 5.285 3.932 -8.500 1.00 98.36 O
+ATOM 1237 N THR C 79 1.218 1.102 -9.793 1.00 98.81 N
+ATOM 1238 CA THR C 79 -0.104 0.812 -10.339 1.00 98.81 C
+ATOM 1239 C THR C 79 -1.181 0.996 -9.274 1.00 98.81 C
+ATOM 1240 CB THR C 79 -0.174 -0.619 -10.903 1.00 98.81 C
+ATOM 1241 O THR C 79 -2.202 1.641 -9.521 1.00 98.81 O
+ATOM 1242 CG2 THR C 79 -1.558 -0.920 -11.468 1.00 98.81 C
+ATOM 1243 OG1 THR C 79 0.798 -0.763 -11.947 1.00 98.81 O
+ATOM 1244 N VAL C 80 -0.946 0.487 -8.146 1.00 98.82 N
+ATOM 1245 CA VAL C 80 -1.897 0.555 -7.041 1.00 98.82 C
+ATOM 1246 C VAL C 80 -2.056 2.003 -6.584 1.00 98.82 C
+ATOM 1247 CB VAL C 80 -1.455 -0.333 -5.856 1.00 98.82 C
+ATOM 1248 O VAL C 80 -3.174 2.467 -6.350 1.00 98.82 O
+ATOM 1249 CG1 VAL C 80 -2.270 -0.009 -4.606 1.00 98.82 C
+ATOM 1250 CG2 VAL C 80 -1.590 -1.811 -6.218 1.00 98.82 C
+ATOM 1251 N SER C 81 -0.944 2.696 -6.499 1.00 98.61 N
+ATOM 1252 CA SER C 81 -0.990 4.103 -6.113 1.00 98.61 C
+ATOM 1253 C SER C 81 -1.824 4.918 -7.096 1.00 98.61 C
+ATOM 1254 CB SER C 81 0.422 4.682 -6.027 1.00 98.61 C
+ATOM 1255 O SER C 81 -2.654 5.733 -6.687 1.00 98.61 O
+ATOM 1256 OG SER C 81 1.163 4.050 -4.998 1.00 98.61 O
+ATOM 1257 N ARG C 82 -1.661 4.706 -8.341 1.00 98.64 N
+ATOM 1258 CA ARG C 82 -2.407 5.416 -9.375 1.00 98.64 C
+ATOM 1259 C ARG C 82 -3.892 5.072 -9.311 1.00 98.64 C
+ATOM 1260 CB ARG C 82 -1.852 5.086 -10.762 1.00 98.64 C
+ATOM 1261 O ARG C 82 -4.744 5.956 -9.428 1.00 98.64 O
+ATOM 1262 CG ARG C 82 -0.554 5.805 -11.092 1.00 98.64 C
+ATOM 1263 CD ARG C 82 -0.189 5.662 -12.563 1.00 98.64 C
+ATOM 1264 NE ARG C 82 0.118 4.277 -12.911 1.00 98.64 N
+ATOM 1265 NH1 ARG C 82 1.070 4.783 -14.954 1.00 98.64 N
+ATOM 1266 NH2 ARG C 82 0.941 2.605 -14.252 1.00 98.64 N
+ATOM 1267 CZ ARG C 82 0.709 3.892 -14.038 1.00 98.64 C
+ATOM 1268 N ALA C 83 -4.171 3.837 -9.133 1.00 98.82 N
+ATOM 1269 CA ALA C 83 -5.562 3.398 -9.057 1.00 98.82 C
+ATOM 1270 C ALA C 83 -6.274 4.033 -7.866 1.00 98.82 C
+ATOM 1271 CB ALA C 83 -5.636 1.875 -8.967 1.00 98.82 C
+ATOM 1272 O ALA C 83 -7.425 4.462 -7.979 1.00 98.82 O
+ATOM 1273 N TYR C 84 -5.551 4.040 -6.773 1.00 98.57 N
+ATOM 1274 CA TYR C 84 -6.128 4.629 -5.570 1.00 98.57 C
+ATOM 1275 C TYR C 84 -6.369 6.122 -5.756 1.00 98.57 C
+ATOM 1276 CB TYR C 84 -5.214 4.393 -4.364 1.00 98.57 C
+ATOM 1277 O TYR C 84 -7.443 6.630 -5.426 1.00 98.57 O
+ATOM 1278 CG TYR C 84 -5.765 4.939 -3.069 1.00 98.57 C
+ATOM 1279 CD1 TYR C 84 -4.951 5.643 -2.185 1.00 98.57 C
+ATOM 1280 CD2 TYR C 84 -7.100 4.752 -2.727 1.00 98.57 C
+ATOM 1281 CE1 TYR C 84 -5.454 6.146 -0.990 1.00 98.57 C
+ATOM 1282 CE2 TYR C 84 -7.614 5.251 -1.535 1.00 98.57 C
+ATOM 1283 OH TYR C 84 -7.288 6.442 0.508 1.00 98.57 O
+ATOM 1284 CZ TYR C 84 -6.785 5.946 -0.674 1.00 98.57 C
+ATOM 1285 N ASN C 85 -5.426 6.776 -6.269 1.00 98.26 N
+ATOM 1286 CA ASN C 85 -5.569 8.205 -6.528 1.00 98.26 C
+ATOM 1287 C ASN C 85 -6.748 8.492 -7.452 1.00 98.26 C
+ATOM 1288 CB ASN C 85 -4.278 8.775 -7.121 1.00 98.26 C
+ATOM 1289 O ASN C 85 -7.534 9.406 -7.198 1.00 98.26 O
+ATOM 1290 CG ASN C 85 -4.319 10.283 -7.266 1.00 98.26 C
+ATOM 1291 ND2 ASN C 85 -3.824 10.989 -6.257 1.00 98.26 N
+ATOM 1292 OD1 ASN C 85 -4.791 10.810 -8.277 1.00 98.26 O
+ATOM 1293 N SER C 86 -6.858 7.704 -8.497 1.00 97.82 N
+ATOM 1294 CA SER C 86 -7.958 7.867 -9.442 1.00 97.82 C
+ATOM 1295 C SER C 86 -9.307 7.648 -8.764 1.00 97.82 C
+ATOM 1296 CB SER C 86 -7.805 6.898 -10.615 1.00 97.82 C
+ATOM 1297 O SER C 86 -10.266 8.376 -9.029 1.00 97.82 O
+ATOM 1298 OG SER C 86 -8.877 7.043 -11.531 1.00 97.82 O
+ATOM 1299 N ARG C 87 -9.336 6.644 -7.967 1.00 97.70 N
+ATOM 1300 CA ARG C 87 -10.565 6.354 -7.236 1.00 97.70 C
+ATOM 1301 C ARG C 87 -10.951 7.519 -6.331 1.00 97.70 C
+ATOM 1302 CB ARG C 87 -10.410 5.077 -6.408 1.00 97.70 C
+ATOM 1303 O ARG C 87 -12.119 7.909 -6.276 1.00 97.70 O
+ATOM 1304 CG ARG C 87 -11.623 4.745 -5.553 1.00 97.70 C
+ATOM 1305 CD ARG C 87 -12.825 4.363 -6.405 1.00 97.70 C
+ATOM 1306 NE ARG C 87 -13.966 3.972 -5.583 1.00 97.70 N
+ATOM 1307 NH1 ARG C 87 -14.009 1.782 -6.317 1.00 97.70 N
+ATOM 1308 NH2 ARG C 87 -15.540 2.508 -4.773 1.00 97.70 N
+ATOM 1309 CZ ARG C 87 -14.502 2.755 -5.560 1.00 97.70 C
+ATOM 1310 N LEU C 88 -10.063 8.128 -5.657 1.00 96.35 N
+ATOM 1311 CA LEU C 88 -10.327 9.267 -4.784 1.00 96.35 C
+ATOM 1312 C LEU C 88 -10.875 10.446 -5.581 1.00 96.35 C
+ATOM 1313 CB LEU C 88 -9.053 9.683 -4.045 1.00 96.35 C
+ATOM 1314 O LEU C 88 -11.795 11.132 -5.129 1.00 96.35 O
+ATOM 1315 CG LEU C 88 -8.682 8.854 -2.813 1.00 96.35 C
+ATOM 1316 CD1 LEU C 88 -8.124 7.499 -3.235 1.00 96.35 C
+ATOM 1317 CD2 LEU C 88 -7.679 9.606 -1.945 1.00 96.35 C
+ATOM 1318 N GLN C 89 -10.362 10.657 -6.699 1.00 96.08 N
+ATOM 1319 CA GLN C 89 -10.802 11.753 -7.556 1.00 96.08 C
+ATOM 1320 C GLN C 89 -12.239 11.542 -8.025 1.00 96.08 C
+ATOM 1321 CB GLN C 89 -9.872 11.899 -8.761 1.00 96.08 C
+ATOM 1322 O GLN C 89 -13.031 12.486 -8.061 1.00 96.08 O
+ATOM 1323 CG GLN C 89 -8.476 12.392 -8.405 1.00 96.08 C
+ATOM 1324 CD GLN C 89 -7.554 12.462 -9.607 1.00 96.08 C
+ATOM 1325 NE2 GLN C 89 -6.357 13.002 -9.405 1.00 96.08 N
+ATOM 1326 OE1 GLN C 89 -7.913 12.033 -10.708 1.00 96.08 O
+ATOM 1327 N ARG C 90 -12.513 10.348 -8.402 1.00 94.92 N
+ATOM 1328 CA ARG C 90 -13.858 10.025 -8.866 1.00 94.92 C
+ATOM 1329 C ARG C 90 -14.882 10.218 -7.753 1.00 94.92 C
+ATOM 1330 CB ARG C 90 -13.916 8.589 -9.390 1.00 94.92 C
+ATOM 1331 O ARG C 90 -15.990 10.701 -7.999 1.00 94.92 O
+ATOM 1332 CG ARG C 90 -13.183 8.382 -10.706 1.00 94.92 C
+ATOM 1333 CD ARG C 90 -13.370 6.969 -11.239 1.00 94.92 C
+ATOM 1334 NE ARG C 90 -12.428 6.034 -10.629 1.00 94.92 N
+ATOM 1335 NH1 ARG C 90 -13.437 4.139 -11.484 1.00 94.92 N
+ATOM 1336 NH2 ARG C 90 -11.574 3.954 -10.161 1.00 94.92 N
+ATOM 1337 CZ ARG C 90 -12.482 4.711 -10.760 1.00 94.92 C
+ATOM 1338 N GLU C 91 -14.479 9.853 -6.585 1.00 91.57 N
+ATOM 1339 CA GLU C 91 -15.392 9.987 -5.453 1.00 91.57 C
+ATOM 1340 C GLU C 91 -15.603 11.452 -5.084 1.00 91.57 C
+ATOM 1341 CB GLU C 91 -14.867 9.210 -4.243 1.00 91.57 C
+ATOM 1342 O GLU C 91 -16.696 11.843 -4.670 1.00 91.57 O
+ATOM 1343 CG GLU C 91 -14.903 7.699 -4.419 1.00 91.57 C
+ATOM 1344 CD GLU C 91 -14.480 6.939 -3.172 1.00 91.57 C
+ATOM 1345 OE1 GLU C 91 -14.610 5.694 -3.146 1.00 91.57 O
+ATOM 1346 OE2 GLU C 91 -14.014 7.594 -2.213 1.00 91.57 O
+ATOM 1347 N ARG C 92 -14.624 12.185 -5.190 1.00 91.86 N
+ATOM 1348 CA ARG C 92 -14.720 13.613 -4.908 1.00 91.86 C
+ATOM 1349 C ARG C 92 -15.566 14.323 -5.960 1.00 91.86 C
+ATOM 1350 CB ARG C 92 -13.327 14.244 -4.843 1.00 91.86 C
+ATOM 1351 O ARG C 92 -16.302 15.260 -5.643 1.00 91.86 O
+ATOM 1352 CG ARG C 92 -12.560 13.912 -3.573 1.00 91.86 C
+ATOM 1353 CD ARG C 92 -11.195 14.587 -3.546 1.00 91.86 C
+ATOM 1354 NE ARG C 92 -10.379 14.109 -2.434 1.00 91.86 N
+ATOM 1355 NH1 ARG C 92 -8.468 15.234 -3.081 1.00 91.86 N
+ATOM 1356 NH2 ARG C 92 -8.455 13.935 -1.192 1.00 91.86 N
+ATOM 1357 CZ ARG C 92 -9.103 14.427 -2.238 1.00 91.86 C
+ATOM 1358 N ALA C 93 -15.488 13.879 -7.120 1.00 91.74 N
+ATOM 1359 CA ALA C 93 -16.248 14.473 -8.218 1.00 91.74 C
+ATOM 1360 C ALA C 93 -17.734 14.148 -8.095 1.00 91.74 C
+ATOM 1361 CB ALA C 93 -15.709 13.988 -9.561 1.00 91.74 C
+ATOM 1362 O ALA C 93 -18.583 14.917 -8.550 1.00 91.74 O
+ATOM 1363 N ASN C 94 -17.901 13.089 -7.526 1.00 87.24 N
+ATOM 1364 CA ASN C 94 -19.287 12.667 -7.353 1.00 87.24 C
+ATOM 1365 C ASN C 94 -19.918 13.307 -6.119 1.00 87.24 C
+ATOM 1366 CB ASN C 94 -19.378 11.142 -7.266 1.00 87.24 C
+ATOM 1367 O ASN C 94 -21.130 13.217 -5.919 1.00 87.24 O
+ATOM 1368 CG ASN C 94 -19.103 10.464 -8.594 1.00 87.24 C
+ATOM 1369 ND2 ASN C 94 -18.862 9.159 -8.554 1.00 87.24 N
+ATOM 1370 OD1 ASN C 94 -19.107 11.108 -9.646 1.00 87.24 O
+ATOM 1371 N MET C 95 -19.131 14.016 -5.292 1.00 74.65 N
+ATOM 1372 CA MET C 95 -19.659 14.725 -4.131 1.00 74.65 C
+ATOM 1373 C MET C 95 -19.918 16.192 -4.460 1.00 74.65 C
+ATOM 1374 CB MET C 95 -18.692 14.618 -2.950 1.00 74.65 C
+ATOM 1375 O MET C 95 -20.904 16.770 -4.000 1.00 74.65 O
+ATOM 1376 CG MET C 95 -18.840 13.333 -2.152 1.00 74.65 C
+ATOM 1377 SD MET C 95 -17.846 13.345 -0.609 1.00 74.65 S
+ATOM 1378 CE MET C 95 -17.936 11.590 -0.157 1.00 74.65 C
+TER 1379 MET C 95
+ENDMDL
+END
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_1_model_5_scores.json b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_1_model_5_scores.json
new file mode 100644
index 0000000000000000000000000000000000000000..a3201c7e6b7901f9fe6924af2f7b0fe216bd0119
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_1_model_5_scores.json
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\ No newline at end of file
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_2_model_4.pdb b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_2_model_4.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..3555558955a721f27b1469e9b6c1e49a18ae18b5
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_2_model_4.pdb
@@ -0,0 +1,1382 @@
+MODEL 1
+ATOM 1 N MET B 1 8.317 39.011 19.688 1.00 42.34 N
+ATOM 2 CA MET B 1 8.849 37.725 19.245 1.00 42.34 C
+ATOM 3 C MET B 1 7.739 36.684 19.142 1.00 42.34 C
+ATOM 4 CB MET B 1 9.938 37.236 20.200 1.00 42.34 C
+ATOM 5 O MET B 1 7.973 35.565 18.682 1.00 42.34 O
+ATOM 6 CG MET B 1 11.341 37.665 19.802 1.00 42.34 C
+ATOM 7 SD MET B 1 12.633 36.531 20.445 1.00 42.34 S
+ATOM 8 CE MET B 1 13.720 37.723 21.276 1.00 42.34 C
+ATOM 9 N ALA B 2 6.663 36.923 19.908 1.00 50.21 N
+ATOM 10 CA ALA B 2 5.472 36.082 19.989 1.00 50.21 C
+ATOM 11 C ALA B 2 4.632 36.197 18.719 1.00 50.21 C
+ATOM 12 CB ALA B 2 4.637 36.457 21.211 1.00 50.21 C
+ATOM 13 O ALA B 2 3.979 35.234 18.311 1.00 50.21 O
+ATOM 14 N GLU B 3 4.548 37.401 18.095 1.00 53.12 N
+ATOM 15 CA GLU B 3 3.660 37.590 16.952 1.00 53.12 C
+ATOM 16 C GLU B 3 4.168 36.832 15.728 1.00 53.12 C
+ATOM 17 CB GLU B 3 3.513 39.078 16.625 1.00 53.12 C
+ATOM 18 O GLU B 3 3.379 36.423 14.874 1.00 53.12 O
+ATOM 19 CG GLU B 3 2.318 39.739 17.296 1.00 53.12 C
+ATOM 20 CD GLU B 3 2.060 41.155 16.803 1.00 53.12 C
+ATOM 21 OE1 GLU B 3 1.079 41.369 16.056 1.00 53.12 O
+ATOM 22 OE2 GLU B 3 2.848 42.057 17.167 1.00 53.12 O
+ATOM 23 N LEU B 4 5.540 36.761 15.527 1.00 57.34 N
+ATOM 24 CA LEU B 4 6.082 35.929 14.459 1.00 57.34 C
+ATOM 25 C LEU B 4 5.613 34.485 14.603 1.00 57.34 C
+ATOM 26 CB LEU B 4 7.612 35.983 14.461 1.00 57.34 C
+ATOM 27 O LEU B 4 5.489 33.766 13.608 1.00 57.34 O
+ATOM 28 CG LEU B 4 8.245 37.280 13.954 1.00 57.34 C
+ATOM 29 CD1 LEU B 4 9.734 37.308 14.286 1.00 57.34 C
+ATOM 30 CD2 LEU B 4 8.023 37.433 12.454 1.00 57.34 C
+ATOM 31 N GLY B 5 5.333 34.157 15.910 1.00 60.84 N
+ATOM 32 CA GLY B 5 5.141 32.745 16.201 1.00 60.84 C
+ATOM 33 C GLY B 5 3.789 32.222 15.755 1.00 60.84 C
+ATOM 34 O GLY B 5 3.584 31.010 15.669 1.00 60.84 O
+ATOM 35 N GLU B 6 2.836 33.215 15.639 1.00 68.86 N
+ATOM 36 CA GLU B 6 1.532 32.680 15.260 1.00 68.86 C
+ATOM 37 C GLU B 6 1.510 32.265 13.792 1.00 68.86 C
+ATOM 38 CB GLU B 6 0.430 33.706 15.533 1.00 68.86 C
+ATOM 39 O GLU B 6 0.965 31.215 13.446 1.00 68.86 O
+ATOM 40 CG GLU B 6 -0.724 33.164 16.364 1.00 68.86 C
+ATOM 41 CD GLU B 6 -1.623 34.253 16.926 1.00 68.86 C
+ATOM 42 OE1 GLU B 6 -2.822 34.295 16.569 1.00 68.86 O
+ATOM 43 OE2 GLU B 6 -1.124 35.072 17.730 1.00 68.86 O
+ATOM 44 N ALA B 7 2.015 33.173 12.858 1.00 68.56 N
+ATOM 45 CA ALA B 7 2.106 32.831 11.441 1.00 68.56 C
+ATOM 46 C ALA B 7 3.004 31.616 11.226 1.00 68.56 C
+ATOM 47 CB ALA B 7 2.625 34.021 10.638 1.00 68.56 C
+ATOM 48 O ALA B 7 2.687 30.736 10.422 1.00 68.56 O
+ATOM 49 N ASP B 8 4.091 31.670 11.883 1.00 74.65 N
+ATOM 50 CA ASP B 8 4.995 30.526 11.812 1.00 74.65 C
+ATOM 51 C ASP B 8 4.330 29.266 12.361 1.00 74.65 C
+ATOM 52 CB ASP B 8 6.287 30.816 12.579 1.00 74.65 C
+ATOM 53 O ASP B 8 4.495 28.178 11.804 1.00 74.65 O
+ATOM 54 CG ASP B 8 7.184 31.818 11.873 1.00 74.65 C
+ATOM 55 OD1 ASP B 8 6.999 32.052 10.659 1.00 74.65 O
+ATOM 56 OD2 ASP B 8 8.085 32.376 12.536 1.00 74.65 O
+ATOM 57 N GLU B 9 3.564 29.541 13.385 1.00 80.97 N
+ATOM 58 CA GLU B 9 2.839 28.415 13.966 1.00 80.97 C
+ATOM 59 C GLU B 9 1.776 27.888 13.006 1.00 80.97 C
+ATOM 60 CB GLU B 9 2.193 28.819 15.294 1.00 80.97 C
+ATOM 61 O GLU B 9 1.599 26.675 12.873 1.00 80.97 O
+ATOM 62 CG GLU B 9 1.641 27.646 16.091 1.00 80.97 C
+ATOM 63 CD GLU B 9 1.090 28.050 17.450 1.00 80.97 C
+ATOM 64 OE1 GLU B 9 0.470 27.201 18.130 1.00 80.97 O
+ATOM 65 OE2 GLU B 9 1.280 29.225 17.836 1.00 80.97 O
+ATOM 66 N ALA B 10 1.045 28.849 12.370 1.00 83.48 N
+ATOM 67 CA ALA B 10 0.026 28.463 11.397 1.00 83.48 C
+ATOM 68 C ALA B 10 0.649 27.733 10.211 1.00 83.48 C
+ATOM 69 CB ALA B 10 -0.744 29.690 10.918 1.00 83.48 C
+ATOM 70 O ALA B 10 0.097 26.744 9.723 1.00 83.48 O
+ATOM 71 N GLU B 11 1.718 28.214 9.766 1.00 83.22 N
+ATOM 72 CA GLU B 11 2.421 27.569 8.661 1.00 83.22 C
+ATOM 73 C GLU B 11 2.900 26.174 9.052 1.00 83.22 C
+ATOM 74 CB GLU B 11 3.606 28.423 8.205 1.00 83.22 C
+ATOM 75 O GLU B 11 2.785 25.230 8.268 1.00 83.22 O
+ATOM 76 CG GLU B 11 4.377 27.831 7.034 1.00 83.22 C
+ATOM 77 CD GLU B 11 3.551 27.733 5.761 1.00 83.22 C
+ATOM 78 OE1 GLU B 11 4.034 27.142 4.768 1.00 83.22 O
+ATOM 79 OE2 GLU B 11 2.412 28.251 5.756 1.00 83.22 O
+ATOM 80 N LEU B 12 3.484 26.079 10.153 1.00 83.92 N
+ATOM 81 CA LEU B 12 3.928 24.784 10.655 1.00 83.92 C
+ATOM 82 C LEU B 12 2.758 23.810 10.756 1.00 83.92 C
+ATOM 83 CB LEU B 12 4.598 24.939 12.022 1.00 83.92 C
+ATOM 84 O LEU B 12 2.878 22.646 10.367 1.00 83.92 O
+ATOM 85 CG LEU B 12 5.146 23.660 12.658 1.00 83.92 C
+ATOM 86 CD1 LEU B 12 6.267 23.082 11.802 1.00 83.92 C
+ATOM 87 CD2 LEU B 12 5.636 23.935 14.076 1.00 83.92 C
+ATOM 88 N GLN B 13 1.642 24.295 11.275 1.00 86.52 N
+ATOM 89 CA GLN B 13 0.453 23.458 11.394 1.00 86.52 C
+ATOM 90 C GLN B 13 -0.012 22.966 10.026 1.00 86.52 C
+ATOM 91 CB GLN B 13 -0.676 24.222 12.088 1.00 86.52 C
+ATOM 92 O GLN B 13 -0.416 21.810 9.881 1.00 86.52 O
+ATOM 93 CG GLN B 13 -0.471 24.394 13.587 1.00 86.52 C
+ATOM 94 CD GLN B 13 -1.564 25.221 14.238 1.00 86.52 C
+ATOM 95 NE2 GLN B 13 -1.522 25.322 15.562 1.00 86.52 N
+ATOM 96 OE1 GLN B 13 -2.438 25.765 13.556 1.00 86.52 O
+ATOM 97 N ARG B 14 0.058 23.844 9.057 1.00 88.24 N
+ATOM 98 CA ARG B 14 -0.332 23.469 7.701 1.00 88.24 C
+ATOM 99 C ARG B 14 0.605 22.406 7.136 1.00 88.24 C
+ATOM 100 CB ARG B 14 -0.345 24.695 6.786 1.00 88.24 C
+ATOM 101 O ARG B 14 0.156 21.456 6.491 1.00 88.24 O
+ATOM 102 CG ARG B 14 -1.566 25.583 6.964 1.00 88.24 C
+ATOM 103 CD ARG B 14 -1.627 26.677 5.907 1.00 88.24 C
+ATOM 104 NE ARG B 14 -2.673 27.653 6.200 1.00 88.24 N
+ATOM 105 NH1 ARG B 14 -2.120 29.075 4.466 1.00 88.24 N
+ATOM 106 NH2 ARG B 14 -3.863 29.588 5.863 1.00 88.24 N
+ATOM 107 CZ ARG B 14 -2.883 28.770 5.509 1.00 88.24 C
+ATOM 108 N LEU B 15 1.829 22.548 7.388 1.00 85.41 N
+ATOM 109 CA LEU B 15 2.812 21.587 6.899 1.00 85.41 C
+ATOM 110 C LEU B 15 2.621 20.228 7.563 1.00 85.41 C
+ATOM 111 CB LEU B 15 4.233 22.098 7.153 1.00 85.41 C
+ATOM 112 O LEU B 15 2.716 19.191 6.903 1.00 85.41 O
+ATOM 113 CG LEU B 15 4.698 23.269 6.287 1.00 85.41 C
+ATOM 114 CD1 LEU B 15 6.064 23.762 6.751 1.00 85.41 C
+ATOM 115 CD2 LEU B 15 4.740 22.864 4.817 1.00 85.41 C
+ATOM 116 N VAL B 16 2.354 20.300 8.805 1.00 87.28 N
+ATOM 117 CA VAL B 16 2.134 19.059 9.541 1.00 87.28 C
+ATOM 118 C VAL B 16 0.891 18.353 9.003 1.00 87.28 C
+ATOM 119 CB VAL B 16 1.987 19.317 11.057 1.00 87.28 C
+ATOM 120 O VAL B 16 0.897 17.135 8.809 1.00 87.28 O
+ATOM 121 CG1 VAL B 16 1.502 18.058 11.774 1.00 87.28 C
+ATOM 122 CG2 VAL B 16 3.312 19.795 11.648 1.00 87.28 C
+ATOM 123 N ALA B 17 -0.151 19.083 8.744 1.00 91.95 N
+ATOM 124 CA ALA B 17 -1.385 18.509 8.214 1.00 91.95 C
+ATOM 125 C ALA B 17 -1.157 17.896 6.835 1.00 91.95 C
+ATOM 126 CB ALA B 17 -2.480 19.570 8.147 1.00 91.95 C
+ATOM 127 O ALA B 17 -1.675 16.818 6.534 1.00 91.95 O
+ATOM 128 N ALA B 18 -0.447 18.537 6.044 1.00 90.18 N
+ATOM 129 CA ALA B 18 -0.139 18.037 4.706 1.00 90.18 C
+ATOM 130 C ALA B 18 0.662 16.741 4.776 1.00 90.18 C
+ATOM 131 CB ALA B 18 0.625 19.090 3.908 1.00 90.18 C
+ATOM 132 O ALA B 18 0.387 15.793 4.037 1.00 90.18 O
+ATOM 133 N GLU B 19 1.599 16.720 5.725 1.00 90.00 N
+ATOM 134 CA GLU B 19 2.421 15.524 5.884 1.00 90.00 C
+ATOM 135 C GLU B 19 1.595 14.352 6.406 1.00 90.00 C
+ATOM 136 CB GLU B 19 3.596 15.800 6.826 1.00 90.00 C
+ATOM 137 O GLU B 19 1.827 13.203 6.024 1.00 90.00 O
+ATOM 138 CG GLU B 19 4.634 14.688 6.857 1.00 90.00 C
+ATOM 139 CD GLU B 19 5.268 14.421 5.501 1.00 90.00 C
+ATOM 140 OE1 GLU B 19 5.732 13.283 5.261 1.00 90.00 O
+ATOM 141 OE2 GLU B 19 5.301 15.358 4.672 1.00 90.00 O
+ATOM 142 N GLN B 20 0.669 14.647 7.216 1.00 91.23 N
+ATOM 143 CA GLN B 20 -0.207 13.614 7.760 1.00 91.23 C
+ATOM 144 C GLN B 20 -1.079 13.002 6.667 1.00 91.23 C
+ATOM 145 CB GLN B 20 -1.085 14.186 8.874 1.00 91.23 C
+ATOM 146 O GLN B 20 -1.286 11.787 6.639 1.00 91.23 O
+ATOM 147 CG GLN B 20 -0.355 14.376 10.196 1.00 91.23 C
+ATOM 148 CD GLN B 20 -1.245 14.953 11.281 1.00 91.23 C
+ATOM 149 NE2 GLN B 20 -0.760 14.934 12.518 1.00 91.23 N
+ATOM 150 OE1 GLN B 20 -2.358 15.413 11.009 1.00 91.23 O
+ATOM 151 N GLN B 21 -1.579 13.771 5.764 1.00 93.77 N
+ATOM 152 CA GLN B 21 -2.386 13.287 4.649 1.00 93.77 C
+ATOM 153 C GLN B 21 -1.567 12.388 3.727 1.00 93.77 C
+ATOM 154 CB GLN B 21 -2.969 14.459 3.858 1.00 93.77 C
+ATOM 155 O GLN B 21 -2.046 11.342 3.285 1.00 93.77 O
+ATOM 156 CG GLN B 21 -4.085 15.196 4.585 1.00 93.77 C
+ATOM 157 CD GLN B 21 -4.669 16.332 3.766 1.00 93.77 C
+ATOM 158 NE2 GLN B 21 -5.994 16.433 3.751 1.00 93.77 N
+ATOM 159 OE1 GLN B 21 -3.935 17.113 3.152 1.00 93.77 O
+ATOM 160 N LYS B 22 -0.394 12.839 3.532 1.00 93.00 N
+ATOM 161 CA LYS B 22 0.493 12.033 2.697 1.00 93.00 C
+ATOM 162 C LYS B 22 0.773 10.678 3.341 1.00 93.00 C
+ATOM 163 CB LYS B 22 1.806 12.773 2.438 1.00 93.00 C
+ATOM 164 O LYS B 22 0.773 9.650 2.661 1.00 93.00 O
+ATOM 165 CG LYS B 22 2.724 12.076 1.445 1.00 93.00 C
+ATOM 166 CD LYS B 22 3.986 12.888 1.184 1.00 93.00 C
+ATOM 167 CE LYS B 22 4.951 12.145 0.270 1.00 93.00 C
+ATOM 168 NZ LYS B 22 6.208 12.920 0.046 1.00 93.00 N
+ATOM 169 N ALA B 23 1.045 10.698 4.626 1.00 92.95 N
+ATOM 170 CA ALA B 23 1.327 9.467 5.360 1.00 92.95 C
+ATOM 171 C ALA B 23 0.129 8.523 5.328 1.00 92.95 C
+ATOM 172 CB ALA B 23 1.713 9.784 6.803 1.00 92.95 C
+ATOM 173 O ALA B 23 0.291 7.307 5.196 1.00 92.95 O
+ATOM 174 N GLN B 24 -1.068 9.056 5.420 1.00 95.14 N
+ATOM 175 CA GLN B 24 -2.276 8.240 5.375 1.00 95.14 C
+ATOM 176 C GLN B 24 -2.455 7.598 4.002 1.00 95.14 C
+ATOM 177 CB GLN B 24 -3.505 9.080 5.726 1.00 95.14 C
+ATOM 178 O GLN B 24 -2.839 6.430 3.903 1.00 95.14 O
+ATOM 179 CG GLN B 24 -3.626 9.404 7.208 1.00 95.14 C
+ATOM 180 CD GLN B 24 -4.808 10.303 7.519 1.00 95.14 C
+ATOM 181 NE2 GLN B 24 -4.969 10.654 8.790 1.00 95.14 N
+ATOM 182 OE1 GLN B 24 -5.570 10.680 6.623 1.00 95.14 O
+ATOM 183 N PHE B 25 -2.205 8.409 3.000 1.00 96.07 N
+ATOM 184 CA PHE B 25 -2.278 7.881 1.642 1.00 96.07 C
+ATOM 185 C PHE B 25 -1.309 6.719 1.461 1.00 96.07 C
+ATOM 186 CB PHE B 25 -1.976 8.981 0.619 1.00 96.07 C
+ATOM 187 O PHE B 25 -1.691 5.657 0.963 1.00 96.07 O
+ATOM 188 CG PHE B 25 -2.043 8.515 -0.810 1.00 96.07 C
+ATOM 189 CD1 PHE B 25 -0.922 7.985 -1.436 1.00 96.07 C
+ATOM 190 CD2 PHE B 25 -3.228 8.608 -1.528 1.00 96.07 C
+ATOM 191 CE1 PHE B 25 -0.981 7.553 -2.759 1.00 96.07 C
+ATOM 192 CE2 PHE B 25 -3.295 8.178 -2.850 1.00 96.07 C
+ATOM 193 CZ PHE B 25 -2.170 7.652 -3.464 1.00 96.07 C
+ATOM 194 N THR B 26 -0.047 6.896 1.854 1.00 95.71 N
+ATOM 195 CA THR B 26 0.990 5.878 1.727 1.00 95.71 C
+ATOM 196 C THR B 26 0.615 4.623 2.509 1.00 95.71 C
+ATOM 197 CB THR B 26 2.352 6.404 2.217 1.00 95.71 C
+ATOM 198 O THR B 26 0.799 3.504 2.023 1.00 95.71 O
+ATOM 199 CG2 THR B 26 3.434 5.338 2.080 1.00 95.71 C
+ATOM 200 OG1 THR B 26 2.724 7.548 1.439 1.00 95.71 O
+ATOM 201 N ALA B 27 0.092 4.810 3.679 1.00 96.22 N
+ATOM 202 CA ALA B 27 -0.321 3.674 4.500 1.00 96.22 C
+ATOM 203 C ALA B 27 -1.422 2.872 3.812 1.00 96.22 C
+ATOM 204 CB ALA B 27 -0.792 4.152 5.871 1.00 96.22 C
+ATOM 205 O ALA B 27 -1.417 1.639 3.851 1.00 96.22 O
+ATOM 206 N GLN B 28 -2.309 3.560 3.209 1.00 97.50 N
+ATOM 207 CA GLN B 28 -3.396 2.877 2.515 1.00 97.50 C
+ATOM 208 C GLN B 28 -2.879 2.125 1.292 1.00 97.50 C
+ATOM 209 CB GLN B 28 -4.478 3.874 2.099 1.00 97.50 C
+ATOM 210 O GLN B 28 -3.344 1.022 0.994 1.00 97.50 O
+ATOM 211 CG GLN B 28 -5.802 3.223 1.722 1.00 97.50 C
+ATOM 212 CD GLN B 28 -6.418 2.439 2.865 1.00 97.50 C
+ATOM 213 NE2 GLN B 28 -6.913 1.243 2.565 1.00 97.50 N
+ATOM 214 OE1 GLN B 28 -6.447 2.903 4.009 1.00 97.50 O
+ATOM 215 N VAL B 29 -1.958 2.745 0.665 1.00 98.16 N
+ATOM 216 CA VAL B 29 -1.369 2.068 -0.486 1.00 98.16 C
+ATOM 217 C VAL B 29 -0.673 0.787 -0.032 1.00 98.16 C
+ATOM 218 CB VAL B 29 -0.371 2.982 -1.232 1.00 98.16 C
+ATOM 219 O VAL B 29 -0.780 -0.251 -0.689 1.00 98.16 O
+ATOM 220 CG1 VAL B 29 0.346 2.209 -2.337 1.00 98.16 C
+ATOM 221 CG2 VAL B 29 -1.092 4.199 -1.809 1.00 98.16 C
+ATOM 222 N HIS B 30 0.087 0.804 1.078 1.00 97.43 N
+ATOM 223 CA HIS B 30 0.697 -0.399 1.632 1.00 97.43 C
+ATOM 224 C HIS B 30 -0.351 -1.473 1.904 1.00 97.43 C
+ATOM 225 CB HIS B 30 1.458 -0.071 2.918 1.00 97.43 C
+ATOM 226 O HIS B 30 -0.123 -2.653 1.630 1.00 97.43 O
+ATOM 227 CG HIS B 30 2.800 0.544 2.681 1.00 97.43 C
+ATOM 228 CD2 HIS B 30 3.320 1.728 3.084 1.00 97.43 C
+ATOM 229 ND1 HIS B 30 3.783 -0.076 1.940 1.00 97.43 N
+ATOM 230 CE1 HIS B 30 4.852 0.701 1.900 1.00 97.43 C
+ATOM 231 NE2 HIS B 30 4.597 1.801 2.586 1.00 97.43 N
+ATOM 232 N HIS B 31 -1.432 -1.041 2.395 1.00 97.81 N
+ATOM 233 CA HIS B 31 -2.499 -1.992 2.687 1.00 97.81 C
+ATOM 234 C HIS B 31 -3.031 -2.632 1.409 1.00 97.81 C
+ATOM 235 CB HIS B 31 -3.638 -1.304 3.443 1.00 97.81 C
+ATOM 236 O HIS B 31 -3.223 -3.849 1.352 1.00 97.81 O
+ATOM 237 CG HIS B 31 -4.754 -2.227 3.815 1.00 97.81 C
+ATOM 238 CD2 HIS B 31 -6.050 -2.258 3.423 1.00 97.81 C
+ATOM 239 ND1 HIS B 31 -4.593 -3.272 4.698 1.00 97.81 N
+ATOM 240 CE1 HIS B 31 -5.744 -3.908 4.834 1.00 97.81 C
+ATOM 241 NE2 HIS B 31 -6.645 -3.313 4.070 1.00 97.81 N
+ATOM 242 N PHE B 32 -3.264 -1.821 0.435 1.00 98.67 N
+ATOM 243 CA PHE B 32 -3.705 -2.355 -0.848 1.00 98.67 C
+ATOM 244 C PHE B 32 -2.676 -3.327 -1.413 1.00 98.67 C
+ATOM 245 CB PHE B 32 -3.960 -1.221 -1.845 1.00 98.67 C
+ATOM 246 O PHE B 32 -3.035 -4.381 -1.942 1.00 98.67 O
+ATOM 247 CG PHE B 32 -5.127 -0.343 -1.481 1.00 98.67 C
+ATOM 248 CD1 PHE B 32 -6.216 -0.861 -0.791 1.00 98.67 C
+ATOM 249 CD2 PHE B 32 -5.135 1.001 -1.830 1.00 98.67 C
+ATOM 250 CE1 PHE B 32 -7.297 -0.051 -0.452 1.00 98.67 C
+ATOM 251 CE2 PHE B 32 -6.212 1.817 -1.495 1.00 98.67 C
+ATOM 252 CZ PHE B 32 -7.292 1.289 -0.807 1.00 98.67 C
+ATOM 253 N MET B 33 -1.433 -2.960 -1.285 1.00 98.55 N
+ATOM 254 CA MET B 33 -0.363 -3.819 -1.786 1.00 98.55 C
+ATOM 255 C MET B 33 -0.393 -5.180 -1.099 1.00 98.55 C
+ATOM 256 CB MET B 33 1.000 -3.157 -1.578 1.00 98.55 C
+ATOM 257 O MET B 33 -0.173 -6.209 -1.741 1.00 98.55 O
+ATOM 258 CG MET B 33 1.329 -2.093 -2.611 1.00 98.55 C
+ATOM 259 SD MET B 33 1.381 -2.763 -4.319 1.00 98.55 S
+ATOM 260 CE MET B 33 2.845 -3.828 -4.200 1.00 98.55 C
+ATOM 261 N GLU B 34 -0.637 -5.218 0.149 1.00 97.31 N
+ATOM 262 CA GLU B 34 -0.710 -6.466 0.903 1.00 97.31 C
+ATOM 263 C GLU B 34 -1.802 -7.380 0.353 1.00 97.31 C
+ATOM 264 CB GLU B 34 -0.957 -6.185 2.387 1.00 97.31 C
+ATOM 265 O GLU B 34 -1.599 -8.589 0.222 1.00 97.31 O
+ATOM 266 CG GLU B 34 0.272 -5.684 3.131 1.00 97.31 C
+ATOM 267 CD GLU B 34 0.049 -5.537 4.628 1.00 97.31 C
+ATOM 268 OE1 GLU B 34 1.000 -5.158 5.349 1.00 97.31 O
+ATOM 269 OE2 GLU B 34 -1.085 -5.803 5.083 1.00 97.31 O
+ATOM 270 N LEU B 35 -2.847 -6.789 -0.045 1.00 98.31 N
+ATOM 271 CA LEU B 35 -3.994 -7.564 -0.506 1.00 98.31 C
+ATOM 272 C LEU B 35 -3.877 -7.875 -1.994 1.00 98.31 C
+ATOM 273 CB LEU B 35 -5.297 -6.807 -0.232 1.00 98.31 C
+ATOM 274 O LEU B 35 -3.984 -9.035 -2.400 1.00 98.31 O
+ATOM 275 CG LEU B 35 -5.648 -6.573 1.238 1.00 98.31 C
+ATOM 276 CD1 LEU B 35 -6.800 -5.580 1.356 1.00 98.31 C
+ATOM 277 CD2 LEU B 35 -6.000 -7.890 1.921 1.00 98.31 C
+ATOM 278 N CYS B 36 -3.599 -6.907 -2.733 1.00 98.78 N
+ATOM 279 CA CYS B 36 -3.684 -7.016 -4.185 1.00 98.78 C
+ATOM 280 C CYS B 36 -2.482 -7.766 -4.747 1.00 98.78 C
+ATOM 281 CB CYS B 36 -3.776 -5.630 -4.823 1.00 98.78 C
+ATOM 282 O CYS B 36 -2.603 -8.485 -5.741 1.00 98.78 O
+ATOM 283 SG CYS B 36 -5.266 -4.717 -4.368 1.00 98.78 S
+ATOM 284 N TRP B 37 -1.318 -7.660 -4.124 1.00 98.39 N
+ATOM 285 CA TRP B 37 -0.132 -8.388 -4.563 1.00 98.39 C
+ATOM 286 C TRP B 37 -0.393 -9.890 -4.586 1.00 98.39 C
+ATOM 287 CB TRP B 37 1.059 -8.077 -3.652 1.00 98.39 C
+ATOM 288 O TRP B 37 -0.144 -10.555 -5.595 1.00 98.39 O
+ATOM 289 CG TRP B 37 2.295 -8.860 -3.977 1.00 98.39 C
+ATOM 290 CD1 TRP B 37 2.684 -10.051 -3.429 1.00 98.39 C
+ATOM 291 CD2 TRP B 37 3.308 -8.504 -4.923 1.00 98.39 C
+ATOM 292 CE2 TRP B 37 4.282 -9.527 -4.897 1.00 98.39 C
+ATOM 293 CE3 TRP B 37 3.486 -7.419 -5.791 1.00 98.39 C
+ATOM 294 NE1 TRP B 37 3.878 -10.457 -3.978 1.00 98.39 N
+ATOM 295 CH2 TRP B 37 5.569 -8.422 -6.548 1.00 98.39 C
+ATOM 296 CZ2 TRP B 37 5.419 -9.495 -5.708 1.00 98.39 C
+ATOM 297 CZ3 TRP B 37 4.618 -7.390 -6.597 1.00 98.39 C
+ATOM 298 N ASP B 38 -0.931 -10.403 -3.573 1.00 96.19 N
+ATOM 299 CA ASP B 38 -1.173 -11.836 -3.445 1.00 96.19 C
+ATOM 300 C ASP B 38 -2.265 -12.296 -4.408 1.00 96.19 C
+ATOM 301 CB ASP B 38 -1.558 -12.189 -2.006 1.00 96.19 C
+ATOM 302 O ASP B 38 -2.207 -13.409 -4.935 1.00 96.19 O
+ATOM 303 CG ASP B 38 -0.385 -12.117 -1.045 1.00 96.19 C
+ATOM 304 OD1 ASP B 38 0.779 -12.118 -1.501 1.00 96.19 O
+ATOM 305 OD2 ASP B 38 -0.626 -12.062 0.181 1.00 96.19 O
+ATOM 306 N LYS B 39 -3.116 -11.478 -4.692 1.00 97.86 N
+ATOM 307 CA LYS B 39 -4.246 -11.841 -5.542 1.00 97.86 C
+ATOM 308 C LYS B 39 -3.873 -11.756 -7.019 1.00 97.86 C
+ATOM 309 CB LYS B 39 -5.447 -10.940 -5.253 1.00 97.86 C
+ATOM 310 O LYS B 39 -4.381 -12.524 -7.839 1.00 97.86 O
+ATOM 311 CG LYS B 39 -6.323 -11.424 -4.106 1.00 97.86 C
+ATOM 312 CD LYS B 39 -7.543 -10.531 -3.919 1.00 97.86 C
+ATOM 313 CE LYS B 39 -8.305 -10.884 -2.649 1.00 97.86 C
+ATOM 314 NZ LYS B 39 -9.183 -12.076 -2.843 1.00 97.86 N
+ATOM 315 N CYS B 40 -3.018 -10.893 -7.305 1.00 98.46 N
+ATOM 316 CA CYS B 40 -2.875 -10.564 -8.719 1.00 98.46 C
+ATOM 317 C CYS B 40 -1.506 -10.984 -9.241 1.00 98.46 C
+ATOM 318 CB CYS B 40 -3.079 -9.066 -8.944 1.00 98.46 C
+ATOM 319 O CYS B 40 -1.329 -11.180 -10.444 1.00 98.46 O
+ATOM 320 SG CYS B 40 -4.741 -8.489 -8.536 1.00 98.46 S
+ATOM 321 N VAL B 41 -0.455 -11.037 -8.365 1.00 97.38 N
+ATOM 322 CA VAL B 41 0.897 -11.321 -8.833 1.00 97.38 C
+ATOM 323 C VAL B 41 1.272 -12.761 -8.489 1.00 97.38 C
+ATOM 324 CB VAL B 41 1.926 -10.343 -8.221 1.00 97.38 C
+ATOM 325 O VAL B 41 1.556 -13.076 -7.331 1.00 97.38 O
+ATOM 326 CG1 VAL B 41 3.325 -10.621 -8.767 1.00 97.38 C
+ATOM 327 CG2 VAL B 41 1.517 -8.898 -8.500 1.00 97.38 C
+ATOM 328 N GLU B 42 1.386 -13.588 -9.521 1.00 93.06 N
+ATOM 329 CA GLU B 42 1.711 -14.994 -9.304 1.00 93.06 C
+ATOM 330 C GLU B 42 3.221 -15.210 -9.261 1.00 93.06 C
+ATOM 331 CB GLU B 42 1.086 -15.866 -10.397 1.00 93.06 C
+ATOM 332 O GLU B 42 3.739 -15.822 -8.324 1.00 93.06 O
+ATOM 333 CG GLU B 42 1.159 -17.358 -10.110 1.00 93.06 C
+ATOM 334 CD GLU B 42 0.412 -18.203 -11.129 1.00 93.06 C
+ATOM 335 OE1 GLU B 42 0.426 -19.449 -11.012 1.00 93.06 O
+ATOM 336 OE2 GLU B 42 -0.191 -17.613 -12.054 1.00 93.06 O
+ATOM 337 N LYS B 43 3.946 -14.840 -10.170 1.00 91.46 N
+ATOM 338 CA LYS B 43 5.399 -14.940 -10.267 1.00 91.46 C
+ATOM 339 C LYS B 43 5.998 -13.673 -10.870 1.00 91.46 C
+ATOM 340 CB LYS B 43 5.799 -16.157 -11.103 1.00 91.46 C
+ATOM 341 O LYS B 43 5.490 -13.152 -11.865 1.00 91.46 O
+ATOM 342 CG LYS B 43 5.593 -17.489 -10.395 1.00 91.46 C
+ATOM 343 CD LYS B 43 6.118 -18.651 -11.228 1.00 91.46 C
+ATOM 344 CE LYS B 43 5.990 -19.974 -10.485 1.00 91.46 C
+ATOM 345 NZ LYS B 43 5.510 -21.069 -11.382 1.00 91.46 N
+ATOM 346 N PRO B 44 7.094 -13.337 -10.202 1.00 91.39 N
+ATOM 347 CA PRO B 44 7.736 -12.146 -10.763 1.00 91.39 C
+ATOM 348 C PRO B 44 8.408 -12.416 -12.108 1.00 91.39 C
+ATOM 349 CB PRO B 44 8.773 -11.771 -9.701 1.00 91.39 C
+ATOM 350 O PRO B 44 9.214 -13.342 -12.224 1.00 91.39 O
+ATOM 351 CG PRO B 44 8.973 -13.020 -8.905 1.00 91.39 C
+ATOM 352 CD PRO B 44 7.768 -13.898 -9.083 1.00 91.39 C
+ATOM 353 N GLY B 45 7.935 -11.667 -13.203 1.00 91.10 N
+ATOM 354 CA GLY B 45 8.499 -11.821 -14.535 1.00 91.10 C
+ATOM 355 C GLY B 45 9.357 -10.645 -14.959 1.00 91.10 C
+ATOM 356 O GLY B 45 9.815 -9.869 -14.119 1.00 91.10 O
+ATOM 357 N ASN B 46 9.684 -10.639 -16.193 1.00 93.15 N
+ATOM 358 CA ASN B 46 10.572 -9.621 -16.743 1.00 93.15 C
+ATOM 359 C ASN B 46 9.893 -8.255 -16.799 1.00 93.15 C
+ATOM 360 CB ASN B 46 11.058 -10.029 -18.135 1.00 93.15 C
+ATOM 361 O ASN B 46 10.565 -7.222 -16.780 1.00 93.15 O
+ATOM 362 CG ASN B 46 12.259 -9.224 -18.594 1.00 93.15 C
+ATOM 363 ND2 ASN B 46 12.158 -8.630 -19.777 1.00 93.15 N
+ATOM 364 OD1 ASN B 46 13.269 -9.139 -17.891 1.00 93.15 O
+ATOM 365 N ARG B 47 8.561 -8.366 -16.863 1.00 94.72 N
+ATOM 366 CA ARG B 47 7.775 -7.136 -16.867 1.00 94.72 C
+ATOM 367 C ARG B 47 6.407 -7.358 -16.230 1.00 94.72 C
+ATOM 368 CB ARG B 47 7.610 -6.608 -18.293 1.00 94.72 C
+ATOM 369 O ARG B 47 5.961 -8.498 -16.087 1.00 94.72 O
+ATOM 370 CG ARG B 47 6.898 -7.572 -19.229 1.00 94.72 C
+ATOM 371 CD ARG B 47 6.821 -7.028 -20.648 1.00 94.72 C
+ATOM 372 NE ARG B 47 6.094 -7.933 -21.534 1.00 94.72 N
+ATOM 373 NH1 ARG B 47 4.450 -6.406 -22.084 1.00 94.72 N
+ATOM 374 NH2 ARG B 47 4.404 -8.518 -22.975 1.00 94.72 N
+ATOM 375 CZ ARG B 47 4.984 -7.617 -22.195 1.00 94.72 C
+ATOM 376 N LEU B 48 5.890 -6.273 -15.775 1.00 96.15 N
+ATOM 377 CA LEU B 48 4.498 -6.327 -15.341 1.00 96.15 C
+ATOM 378 C LEU B 48 3.554 -6.322 -16.538 1.00 96.15 C
+ATOM 379 CB LEU B 48 4.178 -5.148 -14.418 1.00 96.15 C
+ATOM 380 O LEU B 48 3.301 -5.270 -17.130 1.00 96.15 O
+ATOM 381 CG LEU B 48 2.881 -5.250 -13.613 1.00 96.15 C
+ATOM 382 CD1 LEU B 48 2.997 -6.345 -12.558 1.00 96.15 C
+ATOM 383 CD2 LEU B 48 2.546 -3.910 -12.967 1.00 96.15 C
+ATOM 384 N ASP B 49 2.930 -7.506 -16.794 1.00 95.29 N
+ATOM 385 CA ASP B 49 2.102 -7.610 -17.991 1.00 95.29 C
+ATOM 386 C ASP B 49 0.766 -6.896 -17.799 1.00 95.29 C
+ATOM 387 CB ASP B 49 1.867 -9.078 -18.355 1.00 95.29 C
+ATOM 388 O ASP B 49 0.370 -6.602 -16.669 1.00 95.29 O
+ATOM 389 CG ASP B 49 1.089 -9.835 -17.293 1.00 95.29 C
+ATOM 390 OD1 ASP B 49 -0.160 -9.830 -17.332 1.00 95.29 O
+ATOM 391 OD2 ASP B 49 1.732 -10.440 -16.408 1.00 95.29 O
+ATOM 392 N SER B 50 0.112 -6.625 -18.900 1.00 96.67 N
+ATOM 393 CA SER B 50 -1.110 -5.827 -18.916 1.00 96.67 C
+ATOM 394 C SER B 50 -2.213 -6.491 -18.099 1.00 96.67 C
+ATOM 395 CB SER B 50 -1.588 -5.607 -20.351 1.00 96.67 C
+ATOM 396 O SER B 50 -2.973 -5.812 -17.405 1.00 96.67 O
+ATOM 397 OG SER B 50 -2.710 -4.741 -20.380 1.00 96.67 O
+ATOM 398 N ARG B 51 -2.271 -7.817 -18.142 1.00 97.35 N
+ATOM 399 CA ARG B 51 -3.290 -8.556 -17.403 1.00 97.35 C
+ATOM 400 C ARG B 51 -3.133 -8.351 -15.900 1.00 97.35 C
+ATOM 401 CB ARG B 51 -3.223 -10.047 -17.738 1.00 97.35 C
+ATOM 402 O ARG B 51 -4.116 -8.116 -15.194 1.00 97.35 O
+ATOM 403 CG ARG B 51 -4.269 -10.887 -17.023 1.00 97.35 C
+ATOM 404 CD ARG B 51 -4.200 -12.350 -17.440 1.00 97.35 C
+ATOM 405 NE ARG B 51 -5.301 -13.125 -16.875 1.00 97.35 N
+ATOM 406 NH1 ARG B 51 -5.361 -14.676 -18.586 1.00 97.35 N
+ATOM 407 NH2 ARG B 51 -6.827 -14.840 -16.831 1.00 97.35 N
+ATOM 408 CZ ARG B 51 -5.827 -14.212 -17.432 1.00 97.35 C
+ATOM 409 N THR B 52 -1.889 -8.478 -15.422 1.00 98.10 N
+ATOM 410 CA THR B 52 -1.598 -8.291 -14.005 1.00 98.10 C
+ATOM 411 C THR B 52 -1.863 -6.848 -13.584 1.00 98.10 C
+ATOM 412 CB THR B 52 -0.139 -8.663 -13.680 1.00 98.10 C
+ATOM 413 O THR B 52 -2.419 -6.601 -12.512 1.00 98.10 O
+ATOM 414 CG2 THR B 52 0.140 -8.537 -12.186 1.00 98.10 C
+ATOM 415 OG1 THR B 52 0.105 -10.015 -14.089 1.00 98.10 O
+ATOM 416 N GLU B 53 -1.482 -5.882 -14.390 1.00 98.10 N
+ATOM 417 CA GLU B 53 -1.734 -4.472 -14.108 1.00 98.10 C
+ATOM 418 C GLU B 53 -3.228 -4.197 -13.965 1.00 98.10 C
+ATOM 419 CB GLU B 53 -1.139 -3.589 -15.207 1.00 98.10 C
+ATOM 420 O GLU B 53 -3.648 -3.481 -13.053 1.00 98.10 O
+ATOM 421 CG GLU B 53 -1.161 -2.102 -14.881 1.00 98.10 C
+ATOM 422 CD GLU B 53 -0.435 -1.251 -15.910 1.00 98.10 C
+ATOM 423 OE1 GLU B 53 -0.399 -0.009 -15.754 1.00 98.10 O
+ATOM 424 OE2 GLU B 53 0.101 -1.830 -16.881 1.00 98.10 O
+ATOM 425 N ASN B 54 -3.978 -4.769 -14.887 1.00 98.58 N
+ATOM 426 CA ASN B 54 -5.425 -4.595 -14.809 1.00 98.58 C
+ATOM 427 C ASN B 54 -6.000 -5.239 -13.551 1.00 98.58 C
+ATOM 428 CB ASN B 54 -6.102 -5.168 -16.056 1.00 98.58 C
+ATOM 429 O ASN B 54 -6.905 -4.686 -12.924 1.00 98.58 O
+ATOM 430 CG ASN B 54 -5.831 -4.344 -17.299 1.00 98.58 C
+ATOM 431 ND2 ASN B 54 -5.875 -4.988 -18.459 1.00 98.58 N
+ATOM 432 OD1 ASN B 54 -5.583 -3.138 -17.217 1.00 98.58 O
+ATOM 433 N CYS B 55 -5.508 -6.415 -13.256 1.00 98.83 N
+ATOM 434 CA CYS B 55 -5.935 -7.089 -12.035 1.00 98.83 C
+ATOM 435 C CYS B 55 -5.663 -6.223 -10.810 1.00 98.83 C
+ATOM 436 CB CYS B 55 -5.224 -8.434 -11.887 1.00 98.83 C
+ATOM 437 O CYS B 55 -6.533 -6.062 -9.953 1.00 98.83 O
+ATOM 438 SG CYS B 55 -5.645 -9.317 -10.369 1.00 98.83 S
+ATOM 439 N LEU B 56 -4.487 -5.615 -10.730 1.00 98.87 N
+ATOM 440 CA LEU B 56 -4.102 -4.772 -9.603 1.00 98.87 C
+ATOM 441 C LEU B 56 -5.022 -3.561 -9.490 1.00 98.87 C
+ATOM 442 CB LEU B 56 -2.649 -4.312 -9.750 1.00 98.87 C
+ATOM 443 O LEU B 56 -5.494 -3.234 -8.399 1.00 98.87 O
+ATOM 444 CG LEU B 56 -1.575 -5.379 -9.535 1.00 98.87 C
+ATOM 445 CD1 LEU B 56 -0.225 -4.882 -10.040 1.00 98.87 C
+ATOM 446 CD2 LEU B 56 -1.491 -5.765 -8.061 1.00 98.87 C
+ATOM 447 N SER B 57 -5.262 -2.912 -10.587 1.00 98.80 N
+ATOM 448 CA SER B 57 -6.150 -1.754 -10.587 1.00 98.80 C
+ATOM 449 C SER B 57 -7.558 -2.137 -10.145 1.00 98.80 C
+ATOM 450 CB SER B 57 -6.198 -1.116 -11.976 1.00 98.80 C
+ATOM 451 O SER B 57 -8.165 -1.450 -9.321 1.00 98.80 O
+ATOM 452 OG SER B 57 -4.920 -0.632 -12.352 1.00 98.80 O
+ATOM 453 N SER B 58 -8.039 -3.245 -10.689 1.00 98.84 N
+ATOM 454 CA SER B 58 -9.374 -3.707 -10.319 1.00 98.84 C
+ATOM 455 C SER B 58 -9.432 -4.110 -8.850 1.00 98.84 C
+ATOM 456 CB SER B 58 -9.796 -4.885 -11.197 1.00 98.84 C
+ATOM 457 O SER B 58 -10.452 -3.912 -8.186 1.00 98.84 O
+ATOM 458 OG SER B 58 -9.945 -4.480 -12.547 1.00 98.84 O
+ATOM 459 N CYS B 59 -8.406 -4.734 -8.381 1.00 98.87 N
+ATOM 460 CA CYS B 59 -8.315 -5.152 -6.987 1.00 98.87 C
+ATOM 461 C CYS B 59 -8.520 -3.969 -6.048 1.00 98.87 C
+ATOM 462 CB CYS B 59 -6.961 -5.805 -6.710 1.00 98.87 C
+ATOM 463 O CYS B 59 -9.296 -4.055 -5.095 1.00 98.87 O
+ATOM 464 SG CYS B 59 -6.753 -6.354 -5.002 1.00 98.87 S
+ATOM 465 N VAL B 60 -7.924 -2.864 -6.335 1.00 98.82 N
+ATOM 466 CA VAL B 60 -8.066 -1.659 -5.524 1.00 98.82 C
+ATOM 467 C VAL B 60 -9.525 -1.209 -5.518 1.00 98.82 C
+ATOM 468 CB VAL B 60 -7.158 -0.519 -6.038 1.00 98.82 C
+ATOM 469 O VAL B 60 -10.115 -1.008 -4.454 1.00 98.82 O
+ATOM 470 CG1 VAL B 60 -7.441 0.778 -5.283 1.00 98.82 C
+ATOM 471 CG2 VAL B 60 -5.687 -0.908 -5.906 1.00 98.82 C
+ATOM 472 N ASP B 61 -10.125 -1.124 -6.687 1.00 98.64 N
+ATOM 473 CA ASP B 61 -11.502 -0.658 -6.824 1.00 98.64 C
+ATOM 474 C ASP B 61 -12.467 -1.568 -6.067 1.00 98.64 C
+ATOM 475 CB ASP B 61 -11.899 -0.582 -8.299 1.00 98.64 C
+ATOM 476 O ASP B 61 -13.333 -1.089 -5.332 1.00 98.64 O
+ATOM 477 CG ASP B 61 -11.285 0.606 -9.018 1.00 98.64 C
+ATOM 478 OD1 ASP B 61 -11.027 1.644 -8.371 1.00 98.64 O
+ATOM 479 OD2 ASP B 61 -11.060 0.505 -10.244 1.00 98.64 O
+ATOM 480 N ARG B 62 -12.213 -2.790 -6.218 1.00 98.70 N
+ATOM 481 CA ARG B 62 -13.148 -3.739 -5.622 1.00 98.70 C
+ATOM 482 C ARG B 62 -13.010 -3.763 -4.104 1.00 98.70 C
+ATOM 483 CB ARG B 62 -12.927 -5.142 -6.191 1.00 98.70 C
+ATOM 484 O ARG B 62 -13.990 -3.986 -3.390 1.00 98.70 O
+ATOM 485 CG ARG B 62 -13.387 -5.302 -7.631 1.00 98.70 C
+ATOM 486 CD ARG B 62 -14.890 -5.104 -7.769 1.00 98.70 C
+ATOM 487 NE ARG B 62 -15.231 -3.701 -7.985 1.00 98.70 N
+ATOM 488 NH1 ARG B 62 -15.690 -3.946 -10.236 1.00 98.70 N
+ATOM 489 NH2 ARG B 62 -15.892 -1.893 -9.237 1.00 98.70 N
+ATOM 490 CZ ARG B 62 -15.603 -3.183 -9.153 1.00 98.70 C
+ATOM 491 N PHE B 63 -11.797 -3.535 -3.628 1.00 98.67 N
+ATOM 492 CA PHE B 63 -11.644 -3.458 -2.180 1.00 98.67 C
+ATOM 493 C PHE B 63 -12.423 -2.276 -1.615 1.00 98.67 C
+ATOM 494 CB PHE B 63 -10.165 -3.342 -1.799 1.00 98.67 C
+ATOM 495 O PHE B 63 -13.093 -2.401 -0.589 1.00 98.67 O
+ATOM 496 CG PHE B 63 -9.917 -3.361 -0.315 1.00 98.67 C
+ATOM 497 CD1 PHE B 63 -9.741 -2.176 0.389 1.00 98.67 C
+ATOM 498 CD2 PHE B 63 -9.859 -4.564 0.376 1.00 98.67 C
+ATOM 499 CE1 PHE B 63 -9.511 -2.189 1.763 1.00 98.67 C
+ATOM 500 CE2 PHE B 63 -9.629 -4.585 1.749 1.00 98.67 C
+ATOM 501 CZ PHE B 63 -9.455 -3.397 2.440 1.00 98.67 C
+ATOM 502 N ILE B 64 -12.306 -1.184 -2.256 1.00 98.17 N
+ATOM 503 CA ILE B 64 -13.021 0.002 -1.798 1.00 98.17 C
+ATOM 504 C ILE B 64 -14.527 -0.239 -1.880 1.00 98.17 C
+ATOM 505 CB ILE B 64 -12.633 1.250 -2.622 1.00 98.17 C
+ATOM 506 O ILE B 64 -15.264 0.077 -0.943 1.00 98.17 O
+ATOM 507 CG1 ILE B 64 -11.152 1.587 -2.414 1.00 98.17 C
+ATOM 508 CG2 ILE B 64 -13.523 2.440 -2.253 1.00 98.17 C
+ATOM 509 CD1 ILE B 64 -10.635 2.693 -3.324 1.00 98.17 C
+ATOM 510 N ASP B 65 -14.964 -0.866 -2.960 1.00 98.31 N
+ATOM 511 CA ASP B 65 -16.378 -1.203 -3.096 1.00 98.31 C
+ATOM 512 C ASP B 65 -16.835 -2.123 -1.967 1.00 98.31 C
+ATOM 513 CB ASP B 65 -16.644 -1.861 -4.452 1.00 98.31 C
+ATOM 514 O ASP B 65 -17.928 -1.951 -1.423 1.00 98.31 O
+ATOM 515 CG ASP B 65 -16.512 -0.895 -5.616 1.00 98.31 C
+ATOM 516 OD1 ASP B 65 -16.508 0.334 -5.392 1.00 98.31 O
+ATOM 517 OD2 ASP B 65 -16.414 -1.368 -6.769 1.00 98.31 O
+ATOM 518 N THR B 66 -16.035 -3.042 -1.716 1.00 98.60 N
+ATOM 519 CA THR B 66 -16.358 -3.994 -0.659 1.00 98.60 C
+ATOM 520 C THR B 66 -16.478 -3.288 0.688 1.00 98.60 C
+ATOM 521 CB THR B 66 -15.298 -5.107 -0.566 1.00 98.60 C
+ATOM 522 O THR B 66 -17.425 -3.528 1.439 1.00 98.60 O
+ATOM 523 CG2 THR B 66 -15.616 -6.077 0.567 1.00 98.60 C
+ATOM 524 OG1 THR B 66 -15.263 -5.830 -1.803 1.00 98.60 O
+ATOM 525 N THR B 67 -15.533 -2.373 0.983 1.00 97.83 N
+ATOM 526 CA THR B 67 -15.560 -1.625 2.234 1.00 97.83 C
+ATOM 527 C THR B 67 -16.838 -0.797 2.342 1.00 97.83 C
+ATOM 528 CB THR B 67 -14.335 -0.701 2.360 1.00 97.83 C
+ATOM 529 O THR B 67 -17.486 -0.779 3.390 1.00 97.83 O
+ATOM 530 CG2 THR B 67 -14.378 0.096 3.660 1.00 97.83 C
+ATOM 531 OG1 THR B 67 -13.141 -1.494 2.339 1.00 97.83 O
+ATOM 532 N LEU B 68 -17.265 -0.144 1.298 1.00 97.24 N
+ATOM 533 CA LEU B 68 -18.465 0.685 1.290 1.00 97.24 C
+ATOM 534 C LEU B 68 -19.717 -0.168 1.462 1.00 97.24 C
+ATOM 535 CB LEU B 68 -18.554 1.487 -0.011 1.00 97.24 C
+ATOM 536 O LEU B 68 -20.644 0.219 2.178 1.00 97.24 O
+ATOM 537 CG LEU B 68 -17.528 2.607 -0.189 1.00 97.24 C
+ATOM 538 CD1 LEU B 68 -17.655 3.226 -1.577 1.00 97.24 C
+ATOM 539 CD2 LEU B 68 -17.700 3.667 0.893 1.00 97.24 C
+ATOM 540 N ALA B 69 -19.696 -1.347 0.813 1.00 98.28 N
+ATOM 541 CA ALA B 69 -20.843 -2.244 0.924 1.00 98.28 C
+ATOM 542 C ALA B 69 -21.021 -2.733 2.358 1.00 98.28 C
+ATOM 543 CB ALA B 69 -20.684 -3.431 -0.024 1.00 98.28 C
+ATOM 544 O ALA B 69 -22.139 -2.759 2.878 1.00 98.28 O
+ATOM 545 N ILE B 70 -20.002 -3.063 2.967 1.00 98.29 N
+ATOM 546 CA ILE B 70 -20.047 -3.571 4.334 1.00 98.29 C
+ATOM 547 C ILE B 70 -20.454 -2.450 5.288 1.00 98.29 C
+ATOM 548 CB ILE B 70 -18.688 -4.170 4.759 1.00 98.29 C
+ATOM 549 O ILE B 70 -21.285 -2.654 6.176 1.00 98.29 O
+ATOM 550 CG1 ILE B 70 -18.424 -5.481 4.010 1.00 98.29 C
+ATOM 551 CG2 ILE B 70 -18.644 -4.387 6.275 1.00 98.29 C
+ATOM 552 CD1 ILE B 70 -17.040 -6.067 4.256 1.00 98.29 C
+ATOM 553 N THR B 71 -19.823 -1.302 5.111 1.00 97.33 N
+ATOM 554 CA THR B 71 -20.157 -0.162 5.957 1.00 97.33 C
+ATOM 555 C THR B 71 -21.638 0.184 5.838 1.00 97.33 C
+ATOM 556 CB THR B 71 -19.308 1.071 5.592 1.00 97.33 C
+ATOM 557 O THR B 71 -22.301 0.450 6.843 1.00 97.33 O
+ATOM 558 CG2 THR B 71 -19.660 2.262 6.478 1.00 97.33 C
+ATOM 559 OG1 THR B 71 -17.921 0.756 5.763 1.00 97.33 O
+ATOM 560 N SER B 72 -22.186 0.166 4.681 1.00 96.65 N
+ATOM 561 CA SER B 72 -23.599 0.447 4.448 1.00 96.65 C
+ATOM 562 C SER B 72 -24.488 -0.596 5.118 1.00 96.65 C
+ATOM 563 CB SER B 72 -23.897 0.496 2.949 1.00 96.65 C
+ATOM 564 O SER B 72 -25.495 -0.254 5.741 1.00 96.65 O
+ATOM 565 OG SER B 72 -25.280 0.704 2.717 1.00 96.65 O
+ATOM 566 N ARG B 73 -24.110 -1.788 4.967 1.00 97.25 N
+ATOM 567 CA ARG B 73 -24.883 -2.853 5.599 1.00 97.25 C
+ATOM 568 C ARG B 73 -24.854 -2.723 7.118 1.00 97.25 C
+ATOM 569 CB ARG B 73 -24.352 -4.225 5.180 1.00 97.25 C
+ATOM 570 O ARG B 73 -25.879 -2.896 7.781 1.00 97.25 O
+ATOM 571 CG ARG B 73 -25.140 -5.392 5.753 1.00 97.25 C
+ATOM 572 CD ARG B 73 -24.679 -6.723 5.174 1.00 97.25 C
+ATOM 573 NE ARG B 73 -25.490 -7.833 5.664 1.00 97.25 N
+ATOM 574 NH1 ARG B 73 -24.007 -8.455 7.322 1.00 97.25 N
+ATOM 575 NH2 ARG B 73 -25.965 -9.612 7.036 1.00 97.25 N
+ATOM 576 CZ ARG B 73 -25.152 -8.631 6.673 1.00 97.25 C
+ATOM 577 N PHE B 74 -23.709 -2.429 7.643 1.00 96.81 N
+ATOM 578 CA PHE B 74 -23.574 -2.245 9.083 1.00 96.81 C
+ATOM 579 C PHE B 74 -24.478 -1.121 9.572 1.00 96.81 C
+ATOM 580 CB PHE B 74 -22.117 -1.947 9.453 1.00 96.81 C
+ATOM 581 O PHE B 74 -25.144 -1.256 10.601 1.00 96.81 O
+ATOM 582 CG PHE B 74 -21.883 -1.811 10.933 1.00 96.81 C
+ATOM 583 CD1 PHE B 74 -21.668 -0.563 11.505 1.00 96.81 C
+ATOM 584 CD2 PHE B 74 -21.878 -2.932 11.753 1.00 96.81 C
+ATOM 585 CE1 PHE B 74 -21.451 -0.434 12.875 1.00 96.81 C
+ATOM 586 CE2 PHE B 74 -21.662 -2.811 13.123 1.00 96.81 C
+ATOM 587 CZ PHE B 74 -21.447 -1.562 13.682 1.00 96.81 C
+ATOM 588 N ALA B 75 -24.547 -0.072 8.877 1.00 96.09 N
+ATOM 589 CA ALA B 75 -25.405 1.055 9.231 1.00 96.09 C
+ATOM 590 C ALA B 75 -26.876 0.650 9.220 1.00 96.09 C
+ATOM 591 CB ALA B 75 -25.170 2.223 8.276 1.00 96.09 C
+ATOM 592 O ALA B 75 -27.652 1.084 10.074 1.00 96.09 O
+ATOM 593 N GLN B 76 -27.307 -0.209 8.311 1.00 95.32 N
+ATOM 594 CA GLN B 76 -28.683 -0.685 8.209 1.00 95.32 C
+ATOM 595 C GLN B 76 -29.056 -1.550 9.409 1.00 95.32 C
+ATOM 596 CB GLN B 76 -28.885 -1.469 6.912 1.00 95.32 C
+ATOM 597 O GLN B 76 -30.159 -1.433 9.946 1.00 95.32 O
+ATOM 598 CG GLN B 76 -28.868 -0.603 5.660 1.00 95.32 C
+ATOM 599 CD GLN B 76 -28.869 -1.419 4.381 1.00 95.32 C
+ATOM 600 NE2 GLN B 76 -28.796 -0.738 3.243 1.00 95.32 N
+ATOM 601 OE1 GLN B 76 -28.933 -2.652 4.416 1.00 95.32 O
+ATOM 602 N ILE B 77 -28.156 -2.286 9.863 1.00 95.48 N
+ATOM 603 CA ILE B 77 -28.395 -3.190 10.982 1.00 95.48 C
+ATOM 604 C ILE B 77 -28.522 -2.388 12.275 1.00 95.48 C
+ATOM 605 CB ILE B 77 -27.270 -4.241 11.112 1.00 95.48 C
+ATOM 606 O ILE B 77 -29.372 -2.687 13.118 1.00 95.48 O
+ATOM 607 CG1 ILE B 77 -27.339 -5.243 9.954 1.00 95.48 C
+ATOM 608 CG2 ILE B 77 -27.353 -4.957 12.463 1.00 95.48 C
+ATOM 609 CD1 ILE B 77 -26.137 -6.173 9.868 1.00 95.48 C
+ATOM 610 N VAL B 78 -27.743 -1.462 12.412 1.00 94.86 N
+ATOM 611 CA VAL B 78 -27.761 -0.642 13.619 1.00 94.86 C
+ATOM 612 C VAL B 78 -29.038 0.194 13.657 1.00 94.86 C
+ATOM 613 CB VAL B 78 -26.521 0.276 13.699 1.00 94.86 C
+ATOM 614 O VAL B 78 -29.632 0.384 14.721 1.00 94.86 O
+ATOM 615 CG1 VAL B 78 -26.690 1.316 14.805 1.00 94.86 C
+ATOM 616 CG2 VAL B 78 -25.259 -0.553 13.930 1.00 94.86 C
+ATOM 617 N GLN B 79 -29.521 0.579 12.549 1.00 92.95 N
+ATOM 618 CA GLN B 79 -30.739 1.377 12.460 1.00 92.95 C
+ATOM 619 C GLN B 79 -31.977 0.523 12.720 1.00 92.95 C
+ATOM 620 CB GLN B 79 -30.843 2.047 11.089 1.00 92.95 C
+ATOM 621 O GLN B 79 -32.928 0.978 13.359 1.00 92.95 O
+ATOM 622 CG GLN B 79 -29.879 3.210 10.898 1.00 92.95 C
+ATOM 623 CD GLN B 79 -29.997 3.852 9.529 1.00 92.95 C
+ATOM 624 NE2 GLN B 79 -29.304 4.970 9.336 1.00 92.95 N
+ATOM 625 OE1 GLN B 79 -30.704 3.347 8.651 1.00 92.95 O
+ATOM 626 N LYS B 80 -31.870 -0.718 12.295 1.00 92.43 N
+ATOM 627 CA LYS B 80 -32.994 -1.629 12.493 1.00 92.43 C
+ATOM 628 C LYS B 80 -33.032 -2.152 13.926 1.00 92.43 C
+ATOM 629 CB LYS B 80 -32.916 -2.799 11.511 1.00 92.43 C
+ATOM 630 O LYS B 80 -34.105 -2.443 14.458 1.00 92.43 O
+ATOM 631 CG LYS B 80 -33.272 -2.429 10.078 1.00 92.43 C
+ATOM 632 CD LYS B 80 -33.295 -3.655 9.174 1.00 92.43 C
+ATOM 633 CE LYS B 80 -33.684 -3.291 7.747 1.00 92.43 C
+ATOM 634 NZ LYS B 80 -33.672 -4.483 6.848 1.00 92.43 N
+ATOM 635 N GLY B 81 -31.917 -2.452 14.482 1.00 81.84 N
+ATOM 636 CA GLY B 81 -31.835 -2.932 15.852 1.00 81.84 C
+ATOM 637 C GLY B 81 -32.159 -1.864 16.880 1.00 81.84 C
+ATOM 638 O GLY B 81 -32.549 -2.176 18.006 1.00 81.84 O
+ATOM 639 N GLY B 82 -32.065 -0.672 16.674 1.00 76.22 N
+ATOM 640 CA GLY B 82 -32.418 0.444 17.536 1.00 76.22 C
+ATOM 641 C GLY B 82 -33.880 0.838 17.435 1.00 76.22 C
+ATOM 642 O GLY B 82 -34.371 1.633 18.238 1.00 76.22 O
+ATOM 643 N GLN B 83 -34.662 0.199 16.583 1.00 60.35 N
+ATOM 644 CA GLN B 83 -36.117 0.302 16.553 1.00 60.35 C
+ATOM 645 C GLN B 83 -36.769 -0.906 17.219 1.00 60.35 C
+ATOM 646 CB GLN B 83 -36.616 0.440 15.114 1.00 60.35 C
+ATOM 647 O GLN B 83 -37.805 -0.777 17.874 1.00 60.35 O
+ATOM 648 CG GLN B 83 -36.419 1.831 14.526 1.00 60.35 C
+ATOM 649 CD GLN B 83 -36.958 1.952 13.112 1.00 60.35 C
+ATOM 650 NE2 GLN B 83 -36.346 2.824 12.318 1.00 60.35 N
+ATOM 651 OE1 GLN B 83 -37.915 1.267 12.738 1.00 60.35 O
+TER 652 GLN B 83
+ATOM 653 N MET C 1 50.040 32.393 35.390 1.00 28.57 N
+ATOM 654 CA MET C 1 49.521 31.790 36.614 1.00 28.57 C
+ATOM 655 C MET C 1 48.376 32.619 37.186 1.00 28.57 C
+ATOM 656 CB MET C 1 50.632 31.645 37.655 1.00 28.57 C
+ATOM 657 O MET C 1 47.433 32.071 37.759 1.00 28.57 O
+ATOM 658 CG MET C 1 50.733 30.251 38.253 1.00 28.57 C
+ATOM 659 SD MET C 1 52.198 30.058 39.341 1.00 28.57 S
+ATOM 660 CE MET C 1 51.684 28.617 40.317 1.00 28.57 C
+ATOM 661 N GLU C 2 48.540 33.870 37.053 1.00 35.42 N
+ATOM 662 CA GLU C 2 47.501 34.894 37.106 1.00 35.42 C
+ATOM 663 C GLU C 2 46.554 34.783 35.915 1.00 35.42 C
+ATOM 664 CB GLU C 2 48.124 36.291 37.154 1.00 35.42 C
+ATOM 665 O GLU C 2 45.932 35.769 35.515 1.00 35.42 O
+ATOM 666 CG GLU C 2 47.783 37.074 38.414 1.00 35.42 C
+ATOM 667 CD GLU C 2 48.552 38.380 38.535 1.00 35.42 C
+ATOM 668 OE1 GLU C 2 47.992 39.448 38.199 1.00 35.42 O
+ATOM 669 OE2 GLU C 2 49.725 38.335 38.969 1.00 35.42 O
+ATOM 670 N GLY C 3 46.387 33.521 35.322 1.00 37.54 N
+ATOM 671 CA GLY C 3 45.732 33.310 34.041 1.00 37.54 C
+ATOM 672 C GLY C 3 44.283 33.761 34.030 1.00 37.54 C
+ATOM 673 O GLY C 3 43.519 33.433 34.939 1.00 37.54 O
+ATOM 674 N GLY C 4 44.029 34.997 33.563 1.00 40.33 N
+ATOM 675 CA GLY C 4 42.765 35.682 33.349 1.00 40.33 C
+ATOM 676 C GLY C 4 41.770 34.863 32.548 1.00 40.33 C
+ATOM 677 O GLY C 4 41.979 34.613 31.359 1.00 40.33 O
+ATOM 678 N PHE C 5 41.158 33.722 33.132 1.00 44.33 N
+ATOM 679 CA PHE C 5 40.188 32.898 32.420 1.00 44.33 C
+ATOM 680 C PHE C 5 38.948 33.709 32.063 1.00 44.33 C
+ATOM 681 CB PHE C 5 39.794 31.681 33.262 1.00 44.33 C
+ATOM 682 O PHE C 5 38.163 34.073 32.941 1.00 44.33 O
+ATOM 683 CG PHE C 5 40.771 30.539 33.173 1.00 44.33 C
+ATOM 684 CD1 PHE C 5 40.695 29.622 32.132 1.00 44.33 C
+ATOM 685 CD2 PHE C 5 41.764 30.384 34.130 1.00 44.33 C
+ATOM 686 CE1 PHE C 5 41.598 28.564 32.047 1.00 44.33 C
+ATOM 687 CE2 PHE C 5 42.670 29.329 34.052 1.00 44.33 C
+ATOM 688 CZ PHE C 5 42.584 28.420 33.010 1.00 44.33 C
+ATOM 689 N GLY C 6 39.115 34.885 31.302 1.00 39.78 N
+ATOM 690 CA GLY C 6 37.972 35.638 30.811 1.00 39.78 C
+ATOM 691 C GLY C 6 36.925 34.766 30.144 1.00 39.78 C
+ATOM 692 O GLY C 6 37.233 34.022 29.210 1.00 39.78 O
+ATOM 693 N SER C 7 36.008 34.157 30.944 1.00 40.86 N
+ATOM 694 CA SER C 7 34.895 33.296 30.557 1.00 40.86 C
+ATOM 695 C SER C 7 33.972 33.998 29.566 1.00 40.86 C
+ATOM 696 CB SER C 7 34.099 32.863 31.788 1.00 40.86 C
+ATOM 697 O SER C 7 33.419 35.058 29.868 1.00 40.86 O
+ATOM 698 OG SER C 7 33.841 33.969 32.636 1.00 40.86 O
+ATOM 699 N ASP C 8 34.459 34.293 28.316 1.00 41.26 N
+ATOM 700 CA ASP C 8 33.621 34.839 27.254 1.00 41.26 C
+ATOM 701 C ASP C 8 32.408 33.948 26.998 1.00 41.26 C
+ATOM 702 CB ASP C 8 34.429 35.010 25.966 1.00 41.26 C
+ATOM 703 O ASP C 8 32.456 33.053 26.151 1.00 41.26 O
+ATOM 704 CG ASP C 8 34.901 36.437 25.746 1.00 41.26 C
+ATOM 705 OD1 ASP C 8 34.121 37.382 25.995 1.00 41.26 O
+ATOM 706 OD2 ASP C 8 36.062 36.618 25.319 1.00 41.26 O
+ATOM 707 N PHE C 9 31.814 33.359 28.090 1.00 41.45 N
+ATOM 708 CA PHE C 9 30.687 32.472 27.827 1.00 41.45 C
+ATOM 709 C PHE C 9 29.551 33.228 27.147 1.00 41.45 C
+ATOM 710 CB PHE C 9 30.188 31.833 29.127 1.00 41.45 C
+ATOM 711 O PHE C 9 28.449 32.697 26.994 1.00 41.45 O
+ATOM 712 CG PHE C 9 30.728 30.450 29.369 1.00 41.45 C
+ATOM 713 CD1 PHE C 9 30.101 29.338 28.820 1.00 41.45 C
+ATOM 714 CD2 PHE C 9 31.864 30.261 30.146 1.00 41.45 C
+ATOM 715 CE1 PHE C 9 30.598 28.056 29.043 1.00 41.45 C
+ATOM 716 CE2 PHE C 9 32.367 28.983 30.373 1.00 41.45 C
+ATOM 717 CZ PHE C 9 31.732 27.882 29.821 1.00 41.45 C
+ATOM 718 N GLY C 10 29.661 34.634 27.025 1.00 36.36 N
+ATOM 719 CA GLY C 10 28.377 35.295 26.852 1.00 36.36 C
+ATOM 720 C GLY C 10 27.659 34.880 25.582 1.00 36.36 C
+ATOM 721 O GLY C 10 26.644 35.475 25.214 1.00 36.36 O
+ATOM 722 N GLY C 11 28.351 34.408 24.528 1.00 39.73 N
+ATOM 723 CA GLY C 11 27.545 34.249 23.328 1.00 39.73 C
+ATOM 724 C GLY C 11 26.366 33.315 23.520 1.00 39.73 C
+ATOM 725 O GLY C 11 26.546 32.129 23.806 1.00 39.73 O
+ATOM 726 N SER C 12 25.401 33.576 24.408 1.00 40.23 N
+ATOM 727 CA SER C 12 24.090 32.936 24.457 1.00 40.23 C
+ATOM 728 C SER C 12 23.507 32.761 23.059 1.00 40.23 C
+ATOM 729 CB SER C 12 23.128 33.750 25.323 1.00 40.23 C
+ATOM 730 O SER C 12 23.195 33.745 22.384 1.00 40.23 O
+ATOM 731 OG SER C 12 23.152 35.118 24.951 1.00 40.23 O
+ATOM 732 N GLY C 13 24.093 32.117 22.122 1.00 39.14 N
+ATOM 733 CA GLY C 13 23.386 31.671 20.933 1.00 39.14 C
+ATOM 734 C GLY C 13 21.961 31.232 21.215 1.00 39.14 C
+ATOM 735 O GLY C 13 21.714 30.481 22.161 1.00 39.14 O
+ATOM 736 N SER C 14 20.927 32.074 21.222 1.00 42.15 N
+ATOM 737 CA SER C 14 19.519 31.719 21.075 1.00 42.15 C
+ATOM 738 C SER C 14 19.345 30.517 20.154 1.00 42.15 C
+ATOM 739 CB SER C 14 18.720 32.906 20.534 1.00 42.15 C
+ATOM 740 O SER C 14 19.736 30.561 18.986 1.00 42.15 O
+ATOM 741 OG SER C 14 17.343 32.587 20.445 1.00 42.15 O
+ATOM 742 N GLY C 15 19.570 29.442 20.510 1.00 44.56 N
+ATOM 743 CA GLY C 15 19.140 28.238 19.818 1.00 44.56 C
+ATOM 744 C GLY C 15 17.753 28.359 19.215 1.00 44.56 C
+ATOM 745 O GLY C 15 16.752 28.153 19.903 1.00 44.56 O
+ATOM 746 N LYS C 16 17.369 29.482 18.564 1.00 51.09 N
+ATOM 747 CA LYS C 16 16.088 29.469 17.863 1.00 51.09 C
+ATOM 748 C LYS C 16 15.926 28.196 17.038 1.00 51.09 C
+ATOM 749 CB LYS C 16 15.956 30.698 16.963 1.00 51.09 C
+ATOM 750 O LYS C 16 16.774 27.881 16.200 1.00 51.09 O
+ATOM 751 CG LYS C 16 15.163 31.838 17.584 1.00 51.09 C
+ATOM 752 CD LYS C 16 15.033 33.016 16.626 1.00 51.09 C
+ATOM 753 CE LYS C 16 13.606 33.544 16.578 1.00 51.09 C
+ATOM 754 NZ LYS C 16 13.543 35.000 16.904 1.00 51.09 N
+ATOM 755 N LEU C 17 15.546 27.116 17.604 1.00 57.77 N
+ATOM 756 CA LEU C 17 15.103 25.987 16.792 1.00 57.77 C
+ATOM 757 C LEU C 17 14.422 26.470 15.516 1.00 57.77 C
+ATOM 758 CB LEU C 17 14.147 25.096 17.589 1.00 57.77 C
+ATOM 759 O LEU C 17 13.444 27.219 15.574 1.00 57.77 O
+ATOM 760 CG LEU C 17 14.750 24.351 18.781 1.00 57.77 C
+ATOM 761 CD1 LEU C 17 13.652 23.667 19.589 1.00 57.77 C
+ATOM 762 CD2 LEU C 17 15.786 23.336 18.311 1.00 57.77 C
+ATOM 763 N ASP C 18 15.245 26.734 14.491 1.00 71.20 N
+ATOM 764 CA ASP C 18 14.716 27.078 13.175 1.00 71.20 C
+ATOM 765 C ASP C 18 13.625 26.098 12.749 1.00 71.20 C
+ATOM 766 CB ASP C 18 15.837 27.102 12.135 1.00 71.20 C
+ATOM 767 O ASP C 18 13.903 24.925 12.492 1.00 71.20 O
+ATOM 768 CG ASP C 18 15.461 27.860 10.874 1.00 71.20 C
+ATOM 769 OD1 ASP C 18 14.253 28.028 10.601 1.00 71.20 O
+ATOM 770 OD2 ASP C 18 16.381 28.291 10.146 1.00 71.20 O
+ATOM 771 N PRO C 19 12.374 26.513 12.971 1.00 72.53 N
+ATOM 772 CA PRO C 19 11.250 25.667 12.562 1.00 72.53 C
+ATOM 773 C PRO C 19 11.486 24.982 11.217 1.00 72.53 C
+ATOM 774 CB PRO C 19 10.081 26.651 12.476 1.00 72.53 C
+ATOM 775 O PRO C 19 11.061 23.842 11.018 1.00 72.53 O
+ATOM 776 CG PRO C 19 10.504 27.821 13.305 1.00 72.53 C
+ATOM 777 CD PRO C 19 12.005 27.856 13.349 1.00 72.53 C
+ATOM 778 N GLY C 20 12.177 25.666 10.327 1.00 73.42 N
+ATOM 779 CA GLY C 20 12.487 25.091 9.028 1.00 73.42 C
+ATOM 780 C GLY C 20 13.450 23.922 9.107 1.00 73.42 C
+ATOM 781 O GLY C 20 13.263 22.910 8.428 1.00 73.42 O
+ATOM 782 N LEU C 21 14.481 24.103 9.955 1.00 80.45 N
+ATOM 783 CA LEU C 21 15.462 23.039 10.134 1.00 80.45 C
+ATOM 784 C LEU C 21 14.846 21.847 10.859 1.00 80.45 C
+ATOM 785 CB LEU C 21 16.675 23.554 10.914 1.00 80.45 C
+ATOM 786 O LEU C 21 15.123 20.696 10.517 1.00 80.45 O
+ATOM 787 CG LEU C 21 18.017 22.893 10.594 1.00 80.45 C
+ATOM 788 CD1 LEU C 21 18.915 23.859 9.829 1.00 80.45 C
+ATOM 789 CD2 LEU C 21 18.699 22.421 11.874 1.00 80.45 C
+ATOM 790 N ILE C 22 14.085 22.148 11.819 1.00 78.02 N
+ATOM 791 CA ILE C 22 13.408 21.096 12.570 1.00 78.02 C
+ATOM 792 C ILE C 22 12.483 20.312 11.643 1.00 78.02 C
+ATOM 793 CB ILE C 22 12.609 21.676 13.759 1.00 78.02 C
+ATOM 794 O ILE C 22 12.476 19.079 11.661 1.00 78.02 O
+ATOM 795 CG1 ILE C 22 13.560 22.295 14.791 1.00 78.02 C
+ATOM 796 CG2 ILE C 22 11.734 20.595 14.400 1.00 78.02 C
+ATOM 797 CD1 ILE C 22 12.854 23.047 15.910 1.00 78.02 C
+ATOM 798 N MET C 23 11.716 21.023 10.846 1.00 80.76 N
+ATOM 799 CA MET C 23 10.804 20.378 9.906 1.00 80.76 C
+ATOM 800 C MET C 23 11.570 19.511 8.912 1.00 80.76 C
+ATOM 801 CB MET C 23 9.975 21.423 9.157 1.00 80.76 C
+ATOM 802 O MET C 23 11.136 18.407 8.581 1.00 80.76 O
+ATOM 803 CG MET C 23 8.929 20.827 8.229 1.00 80.76 C
+ATOM 804 SD MET C 23 7.712 19.782 9.121 1.00 80.76 S
+ATOM 805 CE MET C 23 6.634 21.068 9.813 1.00 80.76 C
+ATOM 806 N GLU C 24 12.674 20.009 8.463 1.00 84.62 N
+ATOM 807 CA GLU C 24 13.499 19.243 7.534 1.00 84.62 C
+ATOM 808 C GLU C 24 13.990 17.947 8.172 1.00 84.62 C
+ATOM 809 CB GLU C 24 14.690 20.079 7.057 1.00 84.62 C
+ATOM 810 O GLU C 24 13.995 16.895 7.529 1.00 84.62 O
+ATOM 811 CG GLU C 24 15.523 19.403 5.978 1.00 84.62 C
+ATOM 812 CD GLU C 24 14.770 19.212 4.671 1.00 84.62 C
+ATOM 813 OE1 GLU C 24 15.301 18.539 3.758 1.00 84.62 O
+ATOM 814 OE2 GLU C 24 13.641 19.740 4.559 1.00 84.62 O
+ATOM 815 N GLN C 25 14.369 18.024 9.378 1.00 86.92 N
+ATOM 816 CA GLN C 25 14.822 16.840 10.099 1.00 86.92 C
+ATOM 817 C GLN C 25 13.684 15.839 10.282 1.00 86.92 C
+ATOM 818 CB GLN C 25 15.402 17.228 11.460 1.00 86.92 C
+ATOM 819 O GLN C 25 13.888 14.630 10.151 1.00 86.92 O
+ATOM 820 CG GLN C 25 16.781 17.871 11.380 1.00 86.92 C
+ATOM 821 CD GLN C 25 17.325 18.264 12.740 1.00 86.92 C
+ATOM 822 NE2 GLN C 25 18.622 18.059 12.942 1.00 86.92 N
+ATOM 823 OE1 GLN C 25 16.586 18.750 13.602 1.00 86.92 O
+ATOM 824 N VAL C 26 12.559 16.349 10.532 1.00 84.86 N
+ATOM 825 CA VAL C 26 11.388 15.497 10.706 1.00 84.86 C
+ATOM 826 C VAL C 26 11.049 14.806 9.387 1.00 84.86 C
+ATOM 827 CB VAL C 26 10.170 16.302 11.214 1.00 84.86 C
+ATOM 828 O VAL C 26 10.766 13.606 9.362 1.00 84.86 O
+ATOM 829 CG1 VAL C 26 8.905 15.446 11.182 1.00 84.86 C
+ATOM 830 CG2 VAL C 26 10.429 16.826 12.626 1.00 84.86 C
+ATOM 831 N LYS C 27 11.145 15.529 8.316 1.00 85.84 N
+ATOM 832 CA LYS C 27 10.865 14.977 6.994 1.00 85.84 C
+ATOM 833 C LYS C 27 11.833 13.848 6.653 1.00 85.84 C
+ATOM 834 CB LYS C 27 10.940 16.072 5.928 1.00 85.84 C
+ATOM 835 O LYS C 27 11.427 12.818 6.110 1.00 85.84 O
+ATOM 836 CG LYS C 27 9.737 17.002 5.910 1.00 85.84 C
+ATOM 837 CD LYS C 27 9.827 18.011 4.773 1.00 85.84 C
+ATOM 838 CE LYS C 27 8.589 18.896 4.709 1.00 85.84 C
+ATOM 839 NZ LYS C 27 8.693 19.916 3.623 1.00 85.84 N
+ATOM 840 N VAL C 28 13.111 14.078 6.993 1.00 90.49 N
+ATOM 841 CA VAL C 28 14.119 13.063 6.706 1.00 90.49 C
+ATOM 842 C VAL C 28 13.843 11.811 7.536 1.00 90.49 C
+ATOM 843 CB VAL C 28 15.546 13.585 6.988 1.00 90.49 C
+ATOM 844 O VAL C 28 13.925 10.691 7.026 1.00 90.49 O
+ATOM 845 CG1 VAL C 28 16.560 12.444 6.928 1.00 90.49 C
+ATOM 846 CG2 VAL C 28 15.917 14.686 5.996 1.00 90.49 C
+ATOM 847 N GLN C 29 13.485 12.012 8.747 1.00 91.26 N
+ATOM 848 CA GLN C 29 13.200 10.876 9.618 1.00 91.26 C
+ATOM 849 C GLN C 29 11.970 10.110 9.137 1.00 91.26 C
+ATOM 850 CB GLN C 29 12.998 11.342 11.060 1.00 91.26 C
+ATOM 851 O GLN C 29 11.929 8.880 9.215 1.00 91.26 O
+ATOM 852 CG GLN C 29 14.281 11.787 11.748 1.00 91.26 C
+ATOM 853 CD GLN C 29 15.276 10.655 11.925 1.00 91.26 C
+ATOM 854 NE2 GLN C 29 16.562 10.986 11.898 1.00 91.26 N
+ATOM 855 OE1 GLN C 29 14.891 9.492 12.086 1.00 91.26 O
+ATOM 856 N ILE C 30 11.000 10.830 8.612 1.00 89.28 N
+ATOM 857 CA ILE C 30 9.798 10.201 8.074 1.00 89.28 C
+ATOM 858 C ILE C 30 10.149 9.403 6.821 1.00 89.28 C
+ATOM 859 CB ILE C 30 8.707 11.248 7.755 1.00 89.28 C
+ATOM 860 O ILE C 30 9.700 8.266 6.655 1.00 89.28 O
+ATOM 861 CG1 ILE C 30 8.156 11.857 9.049 1.00 89.28 C
+ATOM 862 CG2 ILE C 30 7.584 10.621 6.923 1.00 89.28 C
+ATOM 863 CD1 ILE C 30 7.212 13.031 8.828 1.00 89.28 C
+ATOM 864 N ALA C 31 10.996 9.974 6.005 1.00 90.49 N
+ATOM 865 CA ALA C 31 11.416 9.303 4.778 1.00 90.49 C
+ATOM 866 C ALA C 31 12.174 8.015 5.089 1.00 90.49 C
+ATOM 867 CB ALA C 31 12.281 10.233 3.931 1.00 90.49 C
+ATOM 868 O ALA C 31 11.965 6.991 4.435 1.00 90.49 O
+ATOM 869 N VAL C 32 13.053 8.132 6.067 1.00 93.81 N
+ATOM 870 CA VAL C 32 13.836 6.956 6.431 1.00 93.81 C
+ATOM 871 C VAL C 32 12.913 5.870 6.979 1.00 93.81 C
+ATOM 872 CB VAL C 32 14.929 7.300 7.468 1.00 93.81 C
+ATOM 873 O VAL C 32 13.040 4.698 6.617 1.00 93.81 O
+ATOM 874 CG1 VAL C 32 15.546 6.027 8.045 1.00 93.81 C
+ATOM 875 CG2 VAL C 32 16.005 8.181 6.836 1.00 93.81 C
+ATOM 876 N ALA C 33 12.033 6.178 7.799 1.00 92.72 N
+ATOM 877 CA ALA C 33 11.080 5.224 8.361 1.00 92.72 C
+ATOM 878 C ALA C 33 10.213 4.607 7.267 1.00 92.72 C
+ATOM 879 CB ALA C 33 10.204 5.903 9.411 1.00 92.72 C
+ATOM 880 O ALA C 33 9.937 3.405 7.289 1.00 92.72 O
+ATOM 881 N ASN C 34 9.758 5.404 6.350 1.00 91.96 N
+ATOM 882 CA ASN C 34 8.950 4.920 5.236 1.00 91.96 C
+ATOM 883 C ASN C 34 9.726 3.935 4.367 1.00 91.96 C
+ATOM 884 CB ASN C 34 8.445 6.091 4.391 1.00 91.96 C
+ATOM 885 O ASN C 34 9.186 2.907 3.954 1.00 91.96 O
+ATOM 886 CG ASN C 34 7.293 6.829 5.043 1.00 91.96 C
+ATOM 887 ND2 ASN C 34 7.060 8.064 4.614 1.00 91.96 N
+ATOM 888 OD1 ASN C 34 6.617 6.294 5.926 1.00 91.96 O
+ATOM 889 N ALA C 35 10.989 4.299 4.154 1.00 93.58 N
+ATOM 890 CA ALA C 35 11.838 3.418 3.355 1.00 93.58 C
+ATOM 891 C ALA C 35 12.041 2.075 4.050 1.00 93.58 C
+ATOM 892 CB ALA C 35 13.185 4.082 3.083 1.00 93.58 C
+ATOM 893 O ALA C 35 12.026 1.025 3.402 1.00 93.58 O
+ATOM 894 N GLN C 36 12.274 2.113 5.321 1.00 96.35 N
+ATOM 895 CA GLN C 36 12.469 0.885 6.083 1.00 96.35 C
+ATOM 896 C GLN C 36 11.237 -0.012 6.007 1.00 96.35 C
+ATOM 897 CB GLN C 36 12.796 1.205 7.543 1.00 96.35 C
+ATOM 898 O GLN C 36 11.356 -1.227 5.831 1.00 96.35 O
+ATOM 899 CG GLN C 36 14.197 1.763 7.751 1.00 96.35 C
+ATOM 900 CD GLN C 36 14.464 2.157 9.191 1.00 96.35 C
+ATOM 901 NE2 GLN C 36 15.738 2.307 9.539 1.00 96.35 N
+ATOM 902 OE1 GLN C 36 13.533 2.326 9.985 1.00 96.35 O
+ATOM 903 N GLU C 37 10.096 0.611 6.123 1.00 95.41 N
+ATOM 904 CA GLU C 37 8.849 -0.142 6.038 1.00 95.41 C
+ATOM 905 C GLU C 37 8.665 -0.749 4.650 1.00 95.41 C
+ATOM 906 CB GLU C 37 7.656 0.753 6.382 1.00 95.41 C
+ATOM 907 O GLU C 37 8.286 -1.915 4.522 1.00 95.41 O
+ATOM 908 CG GLU C 37 6.319 0.026 6.377 1.00 95.41 C
+ATOM 909 CD GLU C 37 5.165 0.886 6.865 1.00 95.41 C
+ATOM 910 OE1 GLU C 37 4.036 0.365 7.005 1.00 95.41 O
+ATOM 911 OE2 GLU C 37 5.392 2.093 7.109 1.00 95.41 O
+ATOM 912 N LEU C 38 8.955 -0.006 3.696 1.00 95.78 N
+ATOM 913 CA LEU C 38 8.850 -0.488 2.323 1.00 95.78 C
+ATOM 914 C LEU C 38 9.783 -1.672 2.089 1.00 95.78 C
+ATOM 915 CB LEU C 38 9.173 0.635 1.334 1.00 95.78 C
+ATOM 916 O LEU C 38 9.371 -2.692 1.534 1.00 95.78 O
+ATOM 917 CG LEU C 38 9.132 0.265 -0.149 1.00 95.78 C
+ATOM 918 CD1 LEU C 38 7.721 -0.150 -0.553 1.00 95.78 C
+ATOM 919 CD2 LEU C 38 9.617 1.430 -1.005 1.00 95.78 C
+ATOM 920 N LEU C 39 10.981 -1.530 2.562 1.00 97.33 N
+ATOM 921 CA LEU C 39 11.963 -2.594 2.387 1.00 97.33 C
+ATOM 922 C LEU C 39 11.521 -3.866 3.103 1.00 97.33 C
+ATOM 923 CB LEU C 39 13.333 -2.151 2.907 1.00 97.33 C
+ATOM 924 O LEU C 39 11.681 -4.969 2.575 1.00 97.33 O
+ATOM 925 CG LEU C 39 14.116 -1.184 2.018 1.00 97.33 C
+ATOM 926 CD1 LEU C 39 15.373 -0.704 2.735 1.00 97.33 C
+ATOM 927 CD2 LEU C 39 14.471 -1.846 0.691 1.00 97.33 C
+ATOM 928 N GLN C 40 11.038 -3.734 4.226 1.00 97.68 N
+ATOM 929 CA GLN C 40 10.576 -4.882 4.999 1.00 97.68 C
+ATOM 930 C GLN C 40 9.427 -5.595 4.291 1.00 97.68 C
+ATOM 931 CB GLN C 40 10.141 -4.448 6.399 1.00 97.68 C
+ATOM 932 O GLN C 40 9.422 -6.824 4.187 1.00 97.68 O
+ATOM 933 CG GLN C 40 9.780 -5.608 7.318 1.00 97.68 C
+ATOM 934 CD GLN C 40 9.503 -5.164 8.742 1.00 97.68 C
+ATOM 935 NE2 GLN C 40 8.975 -6.073 9.555 1.00 97.68 N
+ATOM 936 OE1 GLN C 40 9.761 -4.013 9.109 1.00 97.68 O
+ATOM 937 N ARG C 41 8.515 -4.831 3.805 1.00 97.38 N
+ATOM 938 CA ARG C 41 7.371 -5.412 3.110 1.00 97.38 C
+ATOM 939 C ARG C 41 7.804 -6.091 1.815 1.00 97.38 C
+ATOM 940 CB ARG C 41 6.320 -4.340 2.814 1.00 97.38 C
+ATOM 941 O ARG C 41 7.356 -7.198 1.508 1.00 97.38 O
+ATOM 942 CG ARG C 41 5.643 -3.781 4.055 1.00 97.38 C
+ATOM 943 CD ARG C 41 4.383 -3.001 3.708 1.00 97.38 C
+ATOM 944 NE ARG C 41 3.671 -2.565 4.906 1.00 97.38 N
+ATOM 945 NH1 ARG C 41 1.697 -3.641 4.375 1.00 97.38 N
+ATOM 946 NH2 ARG C 41 1.861 -2.429 6.313 1.00 97.38 N
+ATOM 947 CZ ARG C 41 2.411 -2.879 5.195 1.00 97.38 C
+ATOM 948 N MET C 42 8.662 -5.454 1.114 1.00 97.42 N
+ATOM 949 CA MET C 42 9.176 -6.029 -0.125 1.00 97.42 C
+ATOM 950 C MET C 42 9.938 -7.321 0.149 1.00 97.42 C
+ATOM 951 CB MET C 42 10.082 -5.031 -0.847 1.00 97.42 C
+ATOM 952 O MET C 42 9.798 -8.299 -0.588 1.00 97.42 O
+ATOM 953 CG MET C 42 10.498 -5.476 -2.240 1.00 97.42 C
+ATOM 954 SD MET C 42 11.343 -4.146 -3.180 1.00 97.42 S
+ATOM 955 CE MET C 42 12.698 -3.758 -2.038 1.00 97.42 C
+ATOM 956 N THR C 43 10.667 -7.258 1.216 1.00 97.96 N
+ATOM 957 CA THR C 43 11.435 -8.437 1.600 1.00 97.96 C
+ATOM 958 C THR C 43 10.509 -9.616 1.886 1.00 97.96 C
+ATOM 959 CB THR C 43 12.308 -8.156 2.837 1.00 97.96 C
+ATOM 960 O THR C 43 10.755 -10.731 1.422 1.00 97.96 O
+ATOM 961 CG2 THR C 43 13.036 -9.416 3.294 1.00 97.96 C
+ATOM 962 OG1 THR C 43 13.276 -7.150 2.512 1.00 97.96 O
+ATOM 963 N ASP C 44 9.465 -9.382 2.615 1.00 97.57 N
+ATOM 964 CA ASP C 44 8.508 -10.430 2.956 1.00 97.57 C
+ATOM 965 C ASP C 44 7.891 -11.042 1.701 1.00 97.57 C
+ATOM 966 CB ASP C 44 7.409 -9.878 3.867 1.00 97.57 C
+ATOM 967 O ASP C 44 7.831 -12.266 1.565 1.00 97.57 O
+ATOM 968 CG ASP C 44 7.873 -9.671 5.298 1.00 97.57 C
+ATOM 969 OD1 ASP C 44 8.916 -10.238 5.689 1.00 97.57 O
+ATOM 970 OD2 ASP C 44 7.187 -8.938 6.042 1.00 97.57 O
+ATOM 971 N LYS C 45 7.581 -10.262 0.801 1.00 97.67 N
+ATOM 972 CA LYS C 45 6.913 -10.720 -0.414 1.00 97.67 C
+ATOM 973 C LYS C 45 7.882 -11.468 -1.325 1.00 97.67 C
+ATOM 974 CB LYS C 45 6.295 -9.539 -1.164 1.00 97.67 C
+ATOM 975 O LYS C 45 7.555 -12.538 -1.843 1.00 97.67 O
+ATOM 976 CG LYS C 45 5.219 -8.802 -0.380 1.00 97.67 C
+ATOM 977 CD LYS C 45 4.017 -9.696 -0.104 1.00 97.67 C
+ATOM 978 CE LYS C 45 2.939 -8.958 0.678 1.00 97.67 C
+ATOM 979 NZ LYS C 45 1.870 -9.885 1.156 1.00 97.67 N
+ATOM 980 N CYS C 46 9.013 -10.918 -1.420 1.00 98.15 N
+ATOM 981 CA CYS C 46 9.990 -11.544 -2.304 1.00 98.15 C
+ATOM 982 C CYS C 46 10.506 -12.849 -1.711 1.00 98.15 C
+ATOM 983 CB CYS C 46 11.159 -10.596 -2.569 1.00 98.15 C
+ATOM 984 O CYS C 46 10.783 -13.802 -2.441 1.00 98.15 O
+ATOM 985 SG CYS C 46 10.721 -9.166 -3.582 1.00 98.15 S
+ATOM 986 N PHE C 47 10.587 -12.866 -0.413 1.00 97.41 N
+ATOM 987 CA PHE C 47 11.002 -14.099 0.246 1.00 97.41 C
+ATOM 988 C PHE C 47 10.020 -15.227 -0.047 1.00 97.41 C
+ATOM 989 CB PHE C 47 11.124 -13.888 1.758 1.00 97.41 C
+ATOM 990 O PHE C 47 10.428 -16.345 -0.369 1.00 97.41 O
+ATOM 991 CG PHE C 47 11.621 -15.097 2.502 1.00 97.41 C
+ATOM 992 CD1 PHE C 47 10.732 -15.948 3.148 1.00 97.41 C
+ATOM 993 CD2 PHE C 47 12.979 -15.384 2.557 1.00 97.41 C
+ATOM 994 CE1 PHE C 47 11.190 -17.068 3.837 1.00 97.41 C
+ATOM 995 CE2 PHE C 47 13.444 -16.501 3.244 1.00 97.41 C
+ATOM 996 CZ PHE C 47 12.548 -17.342 3.884 1.00 97.41 C
+ATOM 997 N ARG C 48 8.776 -14.933 -0.075 1.00 95.86 N
+ATOM 998 CA ARG C 48 7.731 -15.931 -0.283 1.00 95.86 C
+ATOM 999 C ARG C 48 7.700 -16.396 -1.734 1.00 95.86 C
+ATOM 1000 CB ARG C 48 6.365 -15.370 0.118 1.00 95.86 C
+ATOM 1001 O ARG C 48 7.471 -17.576 -2.009 1.00 95.86 O
+ATOM 1002 CG ARG C 48 6.178 -15.216 1.619 1.00 95.86 C
+ATOM 1003 CD ARG C 48 4.791 -14.692 1.963 1.00 95.86 C
+ATOM 1004 NE ARG C 48 4.675 -14.366 3.382 1.00 95.86 N
+ATOM 1005 NH1 ARG C 48 2.900 -15.791 3.776 1.00 95.86 N
+ATOM 1006 NH2 ARG C 48 3.763 -14.528 5.483 1.00 95.86 N
+ATOM 1007 CZ ARG C 48 3.780 -14.896 4.211 1.00 95.86 C
+ATOM 1008 N LYS C 49 8.030 -15.511 -2.571 1.00 96.46 N
+ATOM 1009 CA LYS C 49 7.899 -15.826 -3.990 1.00 96.46 C
+ATOM 1010 C LYS C 49 9.168 -16.481 -4.528 1.00 96.46 C
+ATOM 1011 CB LYS C 49 7.579 -14.564 -4.794 1.00 96.46 C
+ATOM 1012 O LYS C 49 9.109 -17.297 -5.449 1.00 96.46 O
+ATOM 1013 CG LYS C 49 6.163 -14.046 -4.595 1.00 96.46 C
+ATOM 1014 CD LYS C 49 5.789 -13.019 -5.656 1.00 96.46 C
+ATOM 1015 CE LYS C 49 4.371 -12.502 -5.460 1.00 96.46 C
+ATOM 1016 NZ LYS C 49 3.354 -13.462 -5.983 1.00 96.46 N
+ATOM 1017 N CYS C 50 10.324 -16.178 -3.931 1.00 97.14 N
+ATOM 1018 CA CYS C 50 11.565 -16.534 -4.610 1.00 97.14 C
+ATOM 1019 C CYS C 50 12.326 -17.602 -3.832 1.00 97.14 C
+ATOM 1020 CB CYS C 50 12.447 -15.301 -4.797 1.00 97.14 C
+ATOM 1021 O CYS C 50 13.181 -18.291 -4.390 1.00 97.14 O
+ATOM 1022 SG CYS C 50 11.731 -14.052 -5.888 1.00 97.14 S
+ATOM 1023 N ILE C 51 11.993 -17.656 -2.527 1.00 97.22 N
+ATOM 1024 CA ILE C 51 12.734 -18.618 -1.718 1.00 97.22 C
+ATOM 1025 C ILE C 51 11.825 -19.787 -1.345 1.00 97.22 C
+ATOM 1026 CB ILE C 51 13.311 -17.961 -0.444 1.00 97.22 C
+ATOM 1027 O ILE C 51 10.973 -19.663 -0.462 1.00 97.22 O
+ATOM 1028 CG1 ILE C 51 14.057 -16.670 -0.801 1.00 97.22 C
+ATOM 1029 CG2 ILE C 51 14.227 -18.936 0.300 1.00 97.22 C
+ATOM 1030 CD1 ILE C 51 15.223 -16.874 -1.759 1.00 97.22 C
+ATOM 1031 N GLY C 52 11.931 -20.934 -2.057 1.00 91.98 N
+ATOM 1032 CA GLY C 52 11.146 -22.121 -1.755 1.00 91.98 C
+ATOM 1033 C GLY C 52 11.600 -22.833 -0.495 1.00 91.98 C
+ATOM 1034 O GLY C 52 10.795 -23.093 0.401 1.00 91.98 O
+ATOM 1035 N LYS C 53 12.783 -23.187 -0.479 1.00 92.74 N
+ATOM 1036 CA LYS C 53 13.430 -23.791 0.682 1.00 92.74 C
+ATOM 1037 C LYS C 53 14.735 -23.074 1.019 1.00 92.74 C
+ATOM 1038 CB LYS C 53 13.697 -25.276 0.436 1.00 92.74 C
+ATOM 1039 O LYS C 53 15.576 -22.860 0.143 1.00 92.74 O
+ATOM 1040 CG LYS C 53 14.101 -26.048 1.683 1.00 92.74 C
+ATOM 1041 CD LYS C 53 14.293 -27.530 1.386 1.00 92.74 C
+ATOM 1042 CE LYS C 53 14.777 -28.289 2.615 1.00 92.74 C
+ATOM 1043 NZ LYS C 53 14.960 -29.744 2.330 1.00 92.74 N
+ATOM 1044 N PRO C 54 14.868 -22.730 2.307 1.00 89.43 N
+ATOM 1045 CA PRO C 54 16.102 -22.026 2.663 1.00 89.43 C
+ATOM 1046 C PRO C 54 17.337 -22.920 2.579 1.00 89.43 C
+ATOM 1047 CB PRO C 54 15.849 -21.577 4.104 1.00 89.43 C
+ATOM 1048 O PRO C 54 17.324 -24.045 3.085 1.00 89.43 O
+ATOM 1049 CG PRO C 54 14.722 -22.436 4.579 1.00 89.43 C
+ATOM 1050 CD PRO C 54 14.004 -22.987 3.381 1.00 89.43 C
+ATOM 1051 N GLY C 55 18.221 -22.674 1.659 1.00 91.02 N
+ATOM 1052 CA GLY C 55 19.477 -23.392 1.513 1.00 91.02 C
+ATOM 1053 C GLY C 55 20.653 -22.672 2.145 1.00 91.02 C
+ATOM 1054 O GLY C 55 20.473 -21.848 3.044 1.00 91.02 O
+ATOM 1055 N GLY C 56 21.818 -23.104 1.732 1.00 91.79 N
+ATOM 1056 CA GLY C 56 23.024 -22.566 2.340 1.00 91.79 C
+ATOM 1057 C GLY C 56 23.420 -21.212 1.784 1.00 91.79 C
+ATOM 1058 O GLY C 56 24.196 -20.482 2.405 1.00 91.79 O
+ATOM 1059 N SER C 57 22.913 -20.905 0.635 1.00 95.36 N
+ATOM 1060 CA SER C 57 23.218 -19.638 -0.021 1.00 95.36 C
+ATOM 1061 C SER C 57 22.146 -19.273 -1.043 1.00 95.36 C
+ATOM 1062 CB SER C 57 24.584 -19.704 -0.705 1.00 95.36 C
+ATOM 1063 O SER C 57 21.298 -20.100 -1.383 1.00 95.36 O
+ATOM 1064 OG SER C 57 24.588 -20.685 -1.728 1.00 95.36 O
+ATOM 1065 N LEU C 58 22.147 -17.993 -1.331 1.00 96.20 N
+ATOM 1066 CA LEU C 58 21.288 -17.529 -2.415 1.00 96.20 C
+ATOM 1067 C LEU C 58 21.859 -17.930 -3.771 1.00 96.20 C
+ATOM 1068 CB LEU C 58 21.117 -16.009 -2.350 1.00 96.20 C
+ATOM 1069 O LEU C 58 22.806 -17.308 -4.259 1.00 96.20 O
+ATOM 1070 CG LEU C 58 19.771 -15.500 -1.832 1.00 96.20 C
+ATOM 1071 CD1 LEU C 58 19.978 -14.571 -0.640 1.00 96.20 C
+ATOM 1072 CD2 LEU C 58 19.005 -14.790 -2.943 1.00 96.20 C
+ATOM 1073 N ASP C 59 21.197 -18.961 -4.415 1.00 95.29 N
+ATOM 1074 CA ASP C 59 21.728 -19.383 -5.708 1.00 95.29 C
+ATOM 1075 C ASP C 59 21.380 -18.375 -6.800 1.00 95.29 C
+ATOM 1076 CB ASP C 59 21.194 -20.768 -6.081 1.00 95.29 C
+ATOM 1077 O ASP C 59 20.739 -17.356 -6.531 1.00 95.29 O
+ATOM 1078 CG ASP C 59 19.693 -20.782 -6.313 1.00 95.29 C
+ATOM 1079 OD1 ASP C 59 19.122 -19.731 -6.673 1.00 95.29 O
+ATOM 1080 OD2 ASP C 59 19.076 -21.854 -6.131 1.00 95.29 O
+ATOM 1081 N ASN C 60 21.880 -18.583 -8.050 1.00 96.52 N
+ATOM 1082 CA ASN C 60 21.725 -17.650 -9.161 1.00 96.52 C
+ATOM 1083 C ASN C 60 20.256 -17.447 -9.522 1.00 96.52 C
+ATOM 1084 CB ASN C 60 22.510 -18.134 -10.382 1.00 96.52 C
+ATOM 1085 O ASN C 60 19.822 -16.320 -9.765 1.00 96.52 O
+ATOM 1086 CG ASN C 60 22.554 -17.104 -11.493 1.00 96.52 C
+ATOM 1087 ND2 ASN C 60 21.935 -17.424 -12.624 1.00 96.52 N
+ATOM 1088 OD1 ASN C 60 23.140 -16.029 -11.338 1.00 96.52 O
+ATOM 1089 N SER C 61 19.509 -18.592 -9.480 1.00 95.40 N
+ATOM 1090 CA SER C 61 18.092 -18.521 -9.820 1.00 95.40 C
+ATOM 1091 C SER C 61 17.322 -17.682 -8.805 1.00 95.40 C
+ATOM 1092 CB SER C 61 17.488 -19.924 -9.897 1.00 95.40 C
+ATOM 1093 O SER C 61 16.474 -16.869 -9.179 1.00 95.40 O
+ATOM 1094 OG SER C 61 16.102 -19.860 -10.187 1.00 95.40 O
+ATOM 1095 N GLU C 62 17.656 -17.805 -7.515 1.00 96.50 N
+ATOM 1096 CA GLU C 62 17.001 -17.040 -6.458 1.00 96.50 C
+ATOM 1097 C GLU C 62 17.381 -15.564 -6.529 1.00 96.50 C
+ATOM 1098 CB GLU C 62 17.358 -17.610 -5.082 1.00 96.50 C
+ATOM 1099 O GLU C 62 16.536 -14.690 -6.324 1.00 96.50 O
+ATOM 1100 CG GLU C 62 16.725 -18.963 -4.794 1.00 96.50 C
+ATOM 1101 CD GLU C 62 17.217 -19.593 -3.501 1.00 96.50 C
+ATOM 1102 OE1 GLU C 62 16.428 -20.293 -2.827 1.00 96.50 O
+ATOM 1103 OE2 GLU C 62 18.402 -19.384 -3.158 1.00 96.50 O
+ATOM 1104 N GLN C 63 18.599 -15.274 -6.840 1.00 97.02 N
+ATOM 1105 CA GLN C 63 19.055 -13.894 -6.967 1.00 97.02 C
+ATOM 1106 C GLN C 63 18.332 -13.178 -8.104 1.00 97.02 C
+ATOM 1107 CB GLN C 63 20.567 -13.846 -7.193 1.00 97.02 C
+ATOM 1108 O GLN C 63 17.917 -12.026 -7.955 1.00 97.02 O
+ATOM 1109 CG GLN C 63 21.385 -14.208 -5.961 1.00 97.02 C
+ATOM 1110 CD GLN C 63 22.881 -14.129 -6.206 1.00 97.02 C
+ATOM 1111 NE2 GLN C 63 23.666 -14.531 -5.212 1.00 97.02 N
+ATOM 1112 OE1 GLN C 63 23.326 -13.711 -7.279 1.00 97.02 O
+ATOM 1113 N LYS C 64 18.209 -13.885 -9.202 1.00 96.89 N
+ATOM 1114 CA LYS C 64 17.498 -13.314 -10.343 1.00 96.89 C
+ATOM 1115 C LYS C 64 16.024 -13.095 -10.018 1.00 96.89 C
+ATOM 1116 CB LYS C 64 17.636 -14.218 -11.568 1.00 96.89 C
+ATOM 1117 O LYS C 64 15.456 -12.053 -10.355 1.00 96.89 O
+ATOM 1118 CG LYS C 64 17.065 -13.620 -12.846 1.00 96.89 C
+ATOM 1119 CD LYS C 64 17.346 -14.507 -14.052 1.00 96.89 C
+ATOM 1120 CE LYS C 64 16.750 -13.924 -15.326 1.00 96.89 C
+ATOM 1121 NZ LYS C 64 17.039 -14.781 -16.515 1.00 96.89 N
+ATOM 1122 N CYS C 65 15.441 -14.105 -9.365 1.00 97.25 N
+ATOM 1123 CA CYS C 65 14.040 -14.005 -8.972 1.00 97.25 C
+ATOM 1124 C CYS C 65 13.816 -12.814 -8.048 1.00 97.25 C
+ATOM 1125 CB CYS C 65 13.583 -15.290 -8.282 1.00 97.25 C
+ATOM 1126 O CYS C 65 12.874 -12.042 -8.239 1.00 97.25 O
+ATOM 1127 SG CYS C 65 11.868 -15.244 -7.718 1.00 97.25 S
+ATOM 1128 N ILE C 66 14.708 -12.555 -7.059 1.00 97.77 N
+ATOM 1129 CA ILE C 66 14.588 -11.479 -6.081 1.00 97.77 C
+ATOM 1130 C ILE C 66 14.717 -10.128 -6.781 1.00 97.77 C
+ATOM 1131 CB ILE C 66 15.649 -11.608 -4.965 1.00 97.77 C
+ATOM 1132 O ILE C 66 13.994 -9.182 -6.458 1.00 97.77 O
+ATOM 1133 CG1 ILE C 66 15.336 -12.811 -4.068 1.00 97.77 C
+ATOM 1134 CG2 ILE C 66 15.729 -10.318 -4.144 1.00 97.77 C
+ATOM 1135 CD1 ILE C 66 16.454 -13.166 -3.096 1.00 97.77 C
+ATOM 1136 N ALA C 67 15.609 -10.096 -7.739 1.00 97.37 N
+ATOM 1137 CA ALA C 67 15.765 -8.863 -8.505 1.00 97.37 C
+ATOM 1138 C ALA C 67 14.487 -8.524 -9.266 1.00 97.37 C
+ATOM 1139 CB ALA C 67 16.940 -8.983 -9.473 1.00 97.37 C
+ATOM 1140 O ALA C 67 14.016 -7.385 -9.225 1.00 97.37 O
+ATOM 1141 N MET C 68 13.936 -9.520 -9.862 1.00 98.07 N
+ATOM 1142 CA MET C 68 12.700 -9.312 -10.612 1.00 98.07 C
+ATOM 1143 C MET C 68 11.537 -9.011 -9.671 1.00 98.07 C
+ATOM 1144 CB MET C 68 12.377 -10.539 -11.467 1.00 98.07 C
+ATOM 1145 O MET C 68 10.679 -8.184 -9.984 1.00 98.07 O
+ATOM 1146 CG MET C 68 13.298 -10.712 -12.664 1.00 98.07 C
+ATOM 1147 SD MET C 68 12.745 -12.051 -13.789 1.00 98.07 S
+ATOM 1148 CE MET C 68 13.036 -13.497 -12.732 1.00 98.07 C
+ATOM 1149 N CYS C 69 11.546 -9.706 -8.570 1.00 98.19 N
+ATOM 1150 CA CYS C 69 10.500 -9.505 -7.574 1.00 98.19 C
+ATOM 1151 C CYS C 69 10.478 -8.059 -7.092 1.00 98.19 C
+ATOM 1152 CB CYS C 69 10.703 -10.445 -6.386 1.00 98.19 C
+ATOM 1153 O CYS C 69 9.417 -7.435 -7.035 1.00 98.19 O
+ATOM 1154 SG CYS C 69 9.450 -10.270 -5.097 1.00 98.19 S
+ATOM 1155 N MET C 70 11.616 -7.495 -6.753 1.00 98.20 N
+ATOM 1156 CA MET C 70 11.723 -6.110 -6.302 1.00 98.20 C
+ATOM 1157 C MET C 70 11.212 -5.149 -7.370 1.00 98.20 C
+ATOM 1158 CB MET C 70 13.171 -5.771 -5.944 1.00 98.20 C
+ATOM 1159 O MET C 70 10.453 -4.226 -7.069 1.00 98.20 O
+ATOM 1160 CG MET C 70 13.369 -4.336 -5.482 1.00 98.20 C
+ATOM 1161 SD MET C 70 15.135 -3.927 -5.196 1.00 98.20 S
+ATOM 1162 CE MET C 70 15.039 -2.115 -5.145 1.00 98.20 C
+ATOM 1163 N ASP C 71 11.591 -5.421 -8.638 1.00 97.97 N
+ATOM 1164 CA ASP C 71 11.160 -4.568 -9.741 1.00 97.97 C
+ATOM 1165 C ASP C 71 9.643 -4.613 -9.910 1.00 97.97 C
+ATOM 1166 CB ASP C 71 11.847 -4.986 -11.043 1.00 97.97 C
+ATOM 1167 O ASP C 71 8.997 -3.572 -10.042 1.00 97.97 O
+ATOM 1168 CG ASP C 71 13.333 -4.673 -11.056 1.00 97.97 C
+ATOM 1169 OD1 ASP C 71 13.790 -3.849 -10.236 1.00 97.97 O
+ATOM 1170 OD2 ASP C 71 14.053 -5.254 -11.897 1.00 97.97 O
+ATOM 1171 N ARG C 72 9.165 -5.759 -9.823 1.00 98.19 N
+ATOM 1172 CA ARG C 72 7.729 -5.929 -10.021 1.00 98.19 C
+ATOM 1173 C ARG C 72 6.943 -5.359 -8.846 1.00 98.19 C
+ATOM 1174 CB ARG C 72 7.384 -7.407 -10.215 1.00 98.19 C
+ATOM 1175 O ARG C 72 5.835 -4.848 -9.023 1.00 98.19 O
+ATOM 1176 CG ARG C 72 7.905 -7.996 -11.516 1.00 98.19 C
+ATOM 1177 CD ARG C 72 7.343 -7.269 -12.729 1.00 98.19 C
+ATOM 1178 NE ARG C 72 8.204 -6.164 -13.142 1.00 98.19 N
+ATOM 1179 NH1 ARG C 72 7.504 -6.169 -15.344 1.00 98.19 N
+ATOM 1180 NH2 ARG C 72 9.080 -4.660 -14.640 1.00 98.19 N
+ATOM 1181 CZ ARG C 72 8.261 -5.667 -14.374 1.00 98.19 C
+ATOM 1182 N TYR C 73 7.516 -5.506 -7.654 1.00 98.09 N
+ATOM 1183 CA TYR C 73 6.862 -4.893 -6.503 1.00 98.09 C
+ATOM 1184 C TYR C 73 6.727 -3.387 -6.691 1.00 98.09 C
+ATOM 1185 CB TYR C 73 7.643 -5.192 -5.219 1.00 98.09 C
+ATOM 1186 O TYR C 73 5.675 -2.811 -6.403 1.00 98.09 O
+ATOM 1187 CG TYR C 73 6.919 -4.781 -3.960 1.00 98.09 C
+ATOM 1188 CD1 TYR C 73 7.063 -3.498 -3.437 1.00 98.09 C
+ATOM 1189 CD2 TYR C 73 6.092 -5.676 -3.289 1.00 98.09 C
+ATOM 1190 CE1 TYR C 73 6.400 -3.116 -2.276 1.00 98.09 C
+ATOM 1191 CE2 TYR C 73 5.424 -5.305 -2.127 1.00 98.09 C
+ATOM 1192 OH TYR C 73 4.925 -3.652 -0.479 1.00 98.09 O
+ATOM 1193 CZ TYR C 73 5.584 -4.025 -1.629 1.00 98.09 C
+ATOM 1194 N MET C 74 7.766 -2.758 -7.188 1.00 97.87 N
+ATOM 1195 CA MET C 74 7.743 -1.316 -7.414 1.00 97.87 C
+ATOM 1196 C MET C 74 6.755 -0.954 -8.518 1.00 97.87 C
+ATOM 1197 CB MET C 74 9.139 -0.806 -7.775 1.00 97.87 C
+ATOM 1198 O MET C 74 6.036 0.041 -8.411 1.00 97.87 O
+ATOM 1199 CG MET C 74 10.135 -0.882 -6.628 1.00 97.87 C
+ATOM 1200 SD MET C 74 9.565 0.030 -5.141 1.00 97.87 S
+ATOM 1201 CE MET C 74 9.745 1.738 -5.725 1.00 97.87 C
+ATOM 1202 N ASP C 75 6.717 -1.812 -9.547 1.00 98.36 N
+ATOM 1203 CA ASP C 75 5.733 -1.600 -10.604 1.00 98.36 C
+ATOM 1204 C ASP C 75 4.311 -1.678 -10.054 1.00 98.36 C
+ATOM 1205 CB ASP C 75 5.920 -2.624 -11.725 1.00 98.36 C
+ATOM 1206 O ASP C 75 3.471 -0.832 -10.368 1.00 98.36 O
+ATOM 1207 CG ASP C 75 7.210 -2.423 -12.502 1.00 98.36 C
+ATOM 1208 OD1 ASP C 75 7.817 -1.335 -12.405 1.00 98.36 O
+ATOM 1209 OD2 ASP C 75 7.620 -3.360 -13.221 1.00 98.36 O
+ATOM 1210 N ALA C 76 4.113 -2.698 -9.311 1.00 98.62 N
+ATOM 1211 CA ALA C 76 2.791 -2.884 -8.717 1.00 98.62 C
+ATOM 1212 C ALA C 76 2.435 -1.720 -7.797 1.00 98.62 C
+ATOM 1213 CB ALA C 76 2.734 -4.202 -7.950 1.00 98.62 C
+ATOM 1214 O ALA C 76 1.291 -1.258 -7.785 1.00 98.62 O
+ATOM 1215 N TRP C 77 3.426 -1.297 -7.031 1.00 98.43 N
+ATOM 1216 CA TRP C 77 3.217 -0.160 -6.141 1.00 98.43 C
+ATOM 1217 C TRP C 77 2.714 1.053 -6.917 1.00 98.43 C
+ATOM 1218 CB TRP C 77 4.511 0.191 -5.402 1.00 98.43 C
+ATOM 1219 O TRP C 77 1.778 1.730 -6.485 1.00 98.43 O
+ATOM 1220 CG TRP C 77 4.383 1.358 -4.469 1.00 98.43 C
+ATOM 1221 CD1 TRP C 77 4.548 2.680 -4.776 1.00 98.43 C
+ATOM 1222 CD2 TRP C 77 4.068 1.305 -3.075 1.00 98.43 C
+ATOM 1223 CE2 TRP C 77 4.057 2.635 -2.598 1.00 98.43 C
+ATOM 1224 CE3 TRP C 77 3.792 0.262 -2.181 1.00 98.43 C
+ATOM 1225 NE1 TRP C 77 4.353 3.453 -3.655 1.00 98.43 N
+ATOM 1226 CH2 TRP C 77 3.515 1.909 -0.412 1.00 98.43 C
+ATOM 1227 CZ2 TRP C 77 3.781 2.948 -1.265 1.00 98.43 C
+ATOM 1228 CZ3 TRP C 77 3.518 0.576 -0.855 1.00 98.43 C
+ATOM 1229 N ASN C 78 3.288 1.335 -8.030 1.00 98.36 N
+ATOM 1230 CA ASN C 78 2.893 2.470 -8.858 1.00 98.36 C
+ATOM 1231 C ASN C 78 1.484 2.292 -9.418 1.00 98.36 C
+ATOM 1232 CB ASN C 78 3.894 2.679 -9.995 1.00 98.36 C
+ATOM 1233 O ASN C 78 0.693 3.236 -9.429 1.00 98.36 O
+ATOM 1234 CG ASN C 78 5.222 3.228 -9.512 1.00 98.36 C
+ATOM 1235 ND2 ASN C 78 6.292 2.911 -10.230 1.00 98.36 N
+ATOM 1236 OD1 ASN C 78 5.285 3.932 -8.500 1.00 98.36 O
+ATOM 1237 N THR C 79 1.218 1.102 -9.793 1.00 98.81 N
+ATOM 1238 CA THR C 79 -0.104 0.812 -10.339 1.00 98.81 C
+ATOM 1239 C THR C 79 -1.181 0.996 -9.274 1.00 98.81 C
+ATOM 1240 CB THR C 79 -0.174 -0.619 -10.903 1.00 98.81 C
+ATOM 1241 O THR C 79 -2.202 1.641 -9.521 1.00 98.81 O
+ATOM 1242 CG2 THR C 79 -1.558 -0.920 -11.468 1.00 98.81 C
+ATOM 1243 OG1 THR C 79 0.798 -0.763 -11.947 1.00 98.81 O
+ATOM 1244 N VAL C 80 -0.946 0.487 -8.146 1.00 98.82 N
+ATOM 1245 CA VAL C 80 -1.897 0.555 -7.041 1.00 98.82 C
+ATOM 1246 C VAL C 80 -2.056 2.003 -6.584 1.00 98.82 C
+ATOM 1247 CB VAL C 80 -1.455 -0.333 -5.856 1.00 98.82 C
+ATOM 1248 O VAL C 80 -3.174 2.467 -6.350 1.00 98.82 O
+ATOM 1249 CG1 VAL C 80 -2.270 -0.009 -4.606 1.00 98.82 C
+ATOM 1250 CG2 VAL C 80 -1.590 -1.811 -6.218 1.00 98.82 C
+ATOM 1251 N SER C 81 -0.944 2.696 -6.499 1.00 98.61 N
+ATOM 1252 CA SER C 81 -0.990 4.103 -6.113 1.00 98.61 C
+ATOM 1253 C SER C 81 -1.824 4.918 -7.096 1.00 98.61 C
+ATOM 1254 CB SER C 81 0.422 4.682 -6.027 1.00 98.61 C
+ATOM 1255 O SER C 81 -2.654 5.733 -6.687 1.00 98.61 O
+ATOM 1256 OG SER C 81 1.163 4.050 -4.998 1.00 98.61 O
+ATOM 1257 N ARG C 82 -1.661 4.706 -8.341 1.00 98.64 N
+ATOM 1258 CA ARG C 82 -2.407 5.416 -9.375 1.00 98.64 C
+ATOM 1259 C ARG C 82 -3.892 5.072 -9.311 1.00 98.64 C
+ATOM 1260 CB ARG C 82 -1.852 5.086 -10.762 1.00 98.64 C
+ATOM 1261 O ARG C 82 -4.744 5.956 -9.428 1.00 98.64 O
+ATOM 1262 CG ARG C 82 -0.554 5.805 -11.092 1.00 98.64 C
+ATOM 1263 CD ARG C 82 -0.189 5.662 -12.563 1.00 98.64 C
+ATOM 1264 NE ARG C 82 0.118 4.277 -12.911 1.00 98.64 N
+ATOM 1265 NH1 ARG C 82 1.070 4.783 -14.954 1.00 98.64 N
+ATOM 1266 NH2 ARG C 82 0.941 2.605 -14.252 1.00 98.64 N
+ATOM 1267 CZ ARG C 82 0.709 3.892 -14.038 1.00 98.64 C
+ATOM 1268 N ALA C 83 -4.171 3.837 -9.133 1.00 98.82 N
+ATOM 1269 CA ALA C 83 -5.562 3.398 -9.057 1.00 98.82 C
+ATOM 1270 C ALA C 83 -6.274 4.033 -7.866 1.00 98.82 C
+ATOM 1271 CB ALA C 83 -5.636 1.875 -8.967 1.00 98.82 C
+ATOM 1272 O ALA C 83 -7.425 4.462 -7.979 1.00 98.82 O
+ATOM 1273 N TYR C 84 -5.551 4.040 -6.773 1.00 98.57 N
+ATOM 1274 CA TYR C 84 -6.128 4.629 -5.570 1.00 98.57 C
+ATOM 1275 C TYR C 84 -6.369 6.122 -5.756 1.00 98.57 C
+ATOM 1276 CB TYR C 84 -5.214 4.393 -4.364 1.00 98.57 C
+ATOM 1277 O TYR C 84 -7.443 6.630 -5.426 1.00 98.57 O
+ATOM 1278 CG TYR C 84 -5.765 4.939 -3.069 1.00 98.57 C
+ATOM 1279 CD1 TYR C 84 -4.951 5.643 -2.185 1.00 98.57 C
+ATOM 1280 CD2 TYR C 84 -7.100 4.752 -2.727 1.00 98.57 C
+ATOM 1281 CE1 TYR C 84 -5.454 6.146 -0.990 1.00 98.57 C
+ATOM 1282 CE2 TYR C 84 -7.614 5.251 -1.535 1.00 98.57 C
+ATOM 1283 OH TYR C 84 -7.288 6.442 0.508 1.00 98.57 O
+ATOM 1284 CZ TYR C 84 -6.785 5.946 -0.674 1.00 98.57 C
+ATOM 1285 N ASN C 85 -5.426 6.776 -6.269 1.00 98.26 N
+ATOM 1286 CA ASN C 85 -5.569 8.205 -6.528 1.00 98.26 C
+ATOM 1287 C ASN C 85 -6.748 8.492 -7.452 1.00 98.26 C
+ATOM 1288 CB ASN C 85 -4.278 8.775 -7.121 1.00 98.26 C
+ATOM 1289 O ASN C 85 -7.534 9.406 -7.198 1.00 98.26 O
+ATOM 1290 CG ASN C 85 -4.319 10.283 -7.266 1.00 98.26 C
+ATOM 1291 ND2 ASN C 85 -3.824 10.989 -6.257 1.00 98.26 N
+ATOM 1292 OD1 ASN C 85 -4.791 10.810 -8.277 1.00 98.26 O
+ATOM 1293 N SER C 86 -6.858 7.704 -8.497 1.00 97.82 N
+ATOM 1294 CA SER C 86 -7.958 7.867 -9.442 1.00 97.82 C
+ATOM 1295 C SER C 86 -9.307 7.648 -8.764 1.00 97.82 C
+ATOM 1296 CB SER C 86 -7.805 6.898 -10.615 1.00 97.82 C
+ATOM 1297 O SER C 86 -10.266 8.376 -9.029 1.00 97.82 O
+ATOM 1298 OG SER C 86 -8.877 7.043 -11.531 1.00 97.82 O
+ATOM 1299 N ARG C 87 -9.336 6.644 -7.967 1.00 97.70 N
+ATOM 1300 CA ARG C 87 -10.565 6.354 -7.236 1.00 97.70 C
+ATOM 1301 C ARG C 87 -10.951 7.519 -6.331 1.00 97.70 C
+ATOM 1302 CB ARG C 87 -10.410 5.077 -6.408 1.00 97.70 C
+ATOM 1303 O ARG C 87 -12.119 7.909 -6.276 1.00 97.70 O
+ATOM 1304 CG ARG C 87 -11.623 4.745 -5.553 1.00 97.70 C
+ATOM 1305 CD ARG C 87 -12.825 4.363 -6.405 1.00 97.70 C
+ATOM 1306 NE ARG C 87 -13.966 3.972 -5.583 1.00 97.70 N
+ATOM 1307 NH1 ARG C 87 -14.009 1.782 -6.317 1.00 97.70 N
+ATOM 1308 NH2 ARG C 87 -15.540 2.508 -4.773 1.00 97.70 N
+ATOM 1309 CZ ARG C 87 -14.502 2.755 -5.560 1.00 97.70 C
+ATOM 1310 N LEU C 88 -10.063 8.128 -5.657 1.00 96.35 N
+ATOM 1311 CA LEU C 88 -10.327 9.267 -4.784 1.00 96.35 C
+ATOM 1312 C LEU C 88 -10.875 10.446 -5.581 1.00 96.35 C
+ATOM 1313 CB LEU C 88 -9.053 9.683 -4.045 1.00 96.35 C
+ATOM 1314 O LEU C 88 -11.795 11.132 -5.129 1.00 96.35 O
+ATOM 1315 CG LEU C 88 -8.682 8.854 -2.813 1.00 96.35 C
+ATOM 1316 CD1 LEU C 88 -8.124 7.499 -3.235 1.00 96.35 C
+ATOM 1317 CD2 LEU C 88 -7.679 9.606 -1.945 1.00 96.35 C
+ATOM 1318 N GLN C 89 -10.362 10.657 -6.699 1.00 96.08 N
+ATOM 1319 CA GLN C 89 -10.802 11.753 -7.556 1.00 96.08 C
+ATOM 1320 C GLN C 89 -12.239 11.542 -8.025 1.00 96.08 C
+ATOM 1321 CB GLN C 89 -9.872 11.899 -8.761 1.00 96.08 C
+ATOM 1322 O GLN C 89 -13.031 12.486 -8.061 1.00 96.08 O
+ATOM 1323 CG GLN C 89 -8.476 12.392 -8.405 1.00 96.08 C
+ATOM 1324 CD GLN C 89 -7.554 12.462 -9.607 1.00 96.08 C
+ATOM 1325 NE2 GLN C 89 -6.357 13.002 -9.405 1.00 96.08 N
+ATOM 1326 OE1 GLN C 89 -7.913 12.033 -10.708 1.00 96.08 O
+ATOM 1327 N ARG C 90 -12.513 10.348 -8.402 1.00 94.92 N
+ATOM 1328 CA ARG C 90 -13.858 10.025 -8.866 1.00 94.92 C
+ATOM 1329 C ARG C 90 -14.882 10.218 -7.753 1.00 94.92 C
+ATOM 1330 CB ARG C 90 -13.916 8.589 -9.390 1.00 94.92 C
+ATOM 1331 O ARG C 90 -15.990 10.701 -7.999 1.00 94.92 O
+ATOM 1332 CG ARG C 90 -13.183 8.382 -10.706 1.00 94.92 C
+ATOM 1333 CD ARG C 90 -13.370 6.969 -11.239 1.00 94.92 C
+ATOM 1334 NE ARG C 90 -12.428 6.034 -10.629 1.00 94.92 N
+ATOM 1335 NH1 ARG C 90 -13.437 4.139 -11.484 1.00 94.92 N
+ATOM 1336 NH2 ARG C 90 -11.574 3.954 -10.161 1.00 94.92 N
+ATOM 1337 CZ ARG C 90 -12.482 4.711 -10.760 1.00 94.92 C
+ATOM 1338 N GLU C 91 -14.479 9.853 -6.585 1.00 91.57 N
+ATOM 1339 CA GLU C 91 -15.392 9.987 -5.453 1.00 91.57 C
+ATOM 1340 C GLU C 91 -15.603 11.452 -5.084 1.00 91.57 C
+ATOM 1341 CB GLU C 91 -14.867 9.210 -4.243 1.00 91.57 C
+ATOM 1342 O GLU C 91 -16.696 11.843 -4.670 1.00 91.57 O
+ATOM 1343 CG GLU C 91 -14.903 7.699 -4.419 1.00 91.57 C
+ATOM 1344 CD GLU C 91 -14.480 6.939 -3.172 1.00 91.57 C
+ATOM 1345 OE1 GLU C 91 -14.610 5.694 -3.146 1.00 91.57 O
+ATOM 1346 OE2 GLU C 91 -14.014 7.594 -2.213 1.00 91.57 O
+ATOM 1347 N ARG C 92 -14.624 12.185 -5.190 1.00 91.86 N
+ATOM 1348 CA ARG C 92 -14.720 13.613 -4.908 1.00 91.86 C
+ATOM 1349 C ARG C 92 -15.566 14.323 -5.960 1.00 91.86 C
+ATOM 1350 CB ARG C 92 -13.327 14.244 -4.843 1.00 91.86 C
+ATOM 1351 O ARG C 92 -16.302 15.260 -5.643 1.00 91.86 O
+ATOM 1352 CG ARG C 92 -12.560 13.912 -3.573 1.00 91.86 C
+ATOM 1353 CD ARG C 92 -11.195 14.587 -3.546 1.00 91.86 C
+ATOM 1354 NE ARG C 92 -10.379 14.109 -2.434 1.00 91.86 N
+ATOM 1355 NH1 ARG C 92 -8.468 15.234 -3.081 1.00 91.86 N
+ATOM 1356 NH2 ARG C 92 -8.455 13.935 -1.192 1.00 91.86 N
+ATOM 1357 CZ ARG C 92 -9.103 14.427 -2.238 1.00 91.86 C
+ATOM 1358 N ALA C 93 -15.488 13.879 -7.120 1.00 91.74 N
+ATOM 1359 CA ALA C 93 -16.248 14.473 -8.218 1.00 91.74 C
+ATOM 1360 C ALA C 93 -17.734 14.148 -8.095 1.00 91.74 C
+ATOM 1361 CB ALA C 93 -15.709 13.988 -9.561 1.00 91.74 C
+ATOM 1362 O ALA C 93 -18.583 14.917 -8.550 1.00 91.74 O
+ATOM 1363 N ASN C 94 -17.901 13.089 -7.526 1.00 87.24 N
+ATOM 1364 CA ASN C 94 -19.287 12.667 -7.353 1.00 87.24 C
+ATOM 1365 C ASN C 94 -19.918 13.307 -6.119 1.00 87.24 C
+ATOM 1366 CB ASN C 94 -19.378 11.142 -7.266 1.00 87.24 C
+ATOM 1367 O ASN C 94 -21.130 13.217 -5.919 1.00 87.24 O
+ATOM 1368 CG ASN C 94 -19.103 10.464 -8.594 1.00 87.24 C
+ATOM 1369 ND2 ASN C 94 -18.862 9.159 -8.554 1.00 87.24 N
+ATOM 1370 OD1 ASN C 94 -19.107 11.108 -9.646 1.00 87.24 O
+ATOM 1371 N MET C 95 -19.131 14.016 -5.292 1.00 74.65 N
+ATOM 1372 CA MET C 95 -19.659 14.725 -4.131 1.00 74.65 C
+ATOM 1373 C MET C 95 -19.918 16.192 -4.460 1.00 74.65 C
+ATOM 1374 CB MET C 95 -18.692 14.618 -2.950 1.00 74.65 C
+ATOM 1375 O MET C 95 -20.904 16.770 -4.000 1.00 74.65 O
+ATOM 1376 CG MET C 95 -18.840 13.333 -2.152 1.00 74.65 C
+ATOM 1377 SD MET C 95 -17.846 13.345 -0.609 1.00 74.65 S
+ATOM 1378 CE MET C 95 -17.936 11.590 -0.157 1.00 74.65 C
+TER 1379 MET C 95
+ENDMDL
+END
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_2_model_4_scores.json b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_2_model_4_scores.json
new file mode 100644
index 0000000000000000000000000000000000000000..a3201c7e6b7901f9fe6924af2f7b0fe216bd0119
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_2_model_4_scores.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_3_model_3.pdb b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_3_model_3.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..3555558955a721f27b1469e9b6c1e49a18ae18b5
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_3_model_3.pdb
@@ -0,0 +1,1382 @@
+MODEL 1
+ATOM 1 N MET B 1 8.317 39.011 19.688 1.00 42.34 N
+ATOM 2 CA MET B 1 8.849 37.725 19.245 1.00 42.34 C
+ATOM 3 C MET B 1 7.739 36.684 19.142 1.00 42.34 C
+ATOM 4 CB MET B 1 9.938 37.236 20.200 1.00 42.34 C
+ATOM 5 O MET B 1 7.973 35.565 18.682 1.00 42.34 O
+ATOM 6 CG MET B 1 11.341 37.665 19.802 1.00 42.34 C
+ATOM 7 SD MET B 1 12.633 36.531 20.445 1.00 42.34 S
+ATOM 8 CE MET B 1 13.720 37.723 21.276 1.00 42.34 C
+ATOM 9 N ALA B 2 6.663 36.923 19.908 1.00 50.21 N
+ATOM 10 CA ALA B 2 5.472 36.082 19.989 1.00 50.21 C
+ATOM 11 C ALA B 2 4.632 36.197 18.719 1.00 50.21 C
+ATOM 12 CB ALA B 2 4.637 36.457 21.211 1.00 50.21 C
+ATOM 13 O ALA B 2 3.979 35.234 18.311 1.00 50.21 O
+ATOM 14 N GLU B 3 4.548 37.401 18.095 1.00 53.12 N
+ATOM 15 CA GLU B 3 3.660 37.590 16.952 1.00 53.12 C
+ATOM 16 C GLU B 3 4.168 36.832 15.728 1.00 53.12 C
+ATOM 17 CB GLU B 3 3.513 39.078 16.625 1.00 53.12 C
+ATOM 18 O GLU B 3 3.379 36.423 14.874 1.00 53.12 O
+ATOM 19 CG GLU B 3 2.318 39.739 17.296 1.00 53.12 C
+ATOM 20 CD GLU B 3 2.060 41.155 16.803 1.00 53.12 C
+ATOM 21 OE1 GLU B 3 1.079 41.369 16.056 1.00 53.12 O
+ATOM 22 OE2 GLU B 3 2.848 42.057 17.167 1.00 53.12 O
+ATOM 23 N LEU B 4 5.540 36.761 15.527 1.00 57.34 N
+ATOM 24 CA LEU B 4 6.082 35.929 14.459 1.00 57.34 C
+ATOM 25 C LEU B 4 5.613 34.485 14.603 1.00 57.34 C
+ATOM 26 CB LEU B 4 7.612 35.983 14.461 1.00 57.34 C
+ATOM 27 O LEU B 4 5.489 33.766 13.608 1.00 57.34 O
+ATOM 28 CG LEU B 4 8.245 37.280 13.954 1.00 57.34 C
+ATOM 29 CD1 LEU B 4 9.734 37.308 14.286 1.00 57.34 C
+ATOM 30 CD2 LEU B 4 8.023 37.433 12.454 1.00 57.34 C
+ATOM 31 N GLY B 5 5.333 34.157 15.910 1.00 60.84 N
+ATOM 32 CA GLY B 5 5.141 32.745 16.201 1.00 60.84 C
+ATOM 33 C GLY B 5 3.789 32.222 15.755 1.00 60.84 C
+ATOM 34 O GLY B 5 3.584 31.010 15.669 1.00 60.84 O
+ATOM 35 N GLU B 6 2.836 33.215 15.639 1.00 68.86 N
+ATOM 36 CA GLU B 6 1.532 32.680 15.260 1.00 68.86 C
+ATOM 37 C GLU B 6 1.510 32.265 13.792 1.00 68.86 C
+ATOM 38 CB GLU B 6 0.430 33.706 15.533 1.00 68.86 C
+ATOM 39 O GLU B 6 0.965 31.215 13.446 1.00 68.86 O
+ATOM 40 CG GLU B 6 -0.724 33.164 16.364 1.00 68.86 C
+ATOM 41 CD GLU B 6 -1.623 34.253 16.926 1.00 68.86 C
+ATOM 42 OE1 GLU B 6 -2.822 34.295 16.569 1.00 68.86 O
+ATOM 43 OE2 GLU B 6 -1.124 35.072 17.730 1.00 68.86 O
+ATOM 44 N ALA B 7 2.015 33.173 12.858 1.00 68.56 N
+ATOM 45 CA ALA B 7 2.106 32.831 11.441 1.00 68.56 C
+ATOM 46 C ALA B 7 3.004 31.616 11.226 1.00 68.56 C
+ATOM 47 CB ALA B 7 2.625 34.021 10.638 1.00 68.56 C
+ATOM 48 O ALA B 7 2.687 30.736 10.422 1.00 68.56 O
+ATOM 49 N ASP B 8 4.091 31.670 11.883 1.00 74.65 N
+ATOM 50 CA ASP B 8 4.995 30.526 11.812 1.00 74.65 C
+ATOM 51 C ASP B 8 4.330 29.266 12.361 1.00 74.65 C
+ATOM 52 CB ASP B 8 6.287 30.816 12.579 1.00 74.65 C
+ATOM 53 O ASP B 8 4.495 28.178 11.804 1.00 74.65 O
+ATOM 54 CG ASP B 8 7.184 31.818 11.873 1.00 74.65 C
+ATOM 55 OD1 ASP B 8 6.999 32.052 10.659 1.00 74.65 O
+ATOM 56 OD2 ASP B 8 8.085 32.376 12.536 1.00 74.65 O
+ATOM 57 N GLU B 9 3.564 29.541 13.385 1.00 80.97 N
+ATOM 58 CA GLU B 9 2.839 28.415 13.966 1.00 80.97 C
+ATOM 59 C GLU B 9 1.776 27.888 13.006 1.00 80.97 C
+ATOM 60 CB GLU B 9 2.193 28.819 15.294 1.00 80.97 C
+ATOM 61 O GLU B 9 1.599 26.675 12.873 1.00 80.97 O
+ATOM 62 CG GLU B 9 1.641 27.646 16.091 1.00 80.97 C
+ATOM 63 CD GLU B 9 1.090 28.050 17.450 1.00 80.97 C
+ATOM 64 OE1 GLU B 9 0.470 27.201 18.130 1.00 80.97 O
+ATOM 65 OE2 GLU B 9 1.280 29.225 17.836 1.00 80.97 O
+ATOM 66 N ALA B 10 1.045 28.849 12.370 1.00 83.48 N
+ATOM 67 CA ALA B 10 0.026 28.463 11.397 1.00 83.48 C
+ATOM 68 C ALA B 10 0.649 27.733 10.211 1.00 83.48 C
+ATOM 69 CB ALA B 10 -0.744 29.690 10.918 1.00 83.48 C
+ATOM 70 O ALA B 10 0.097 26.744 9.723 1.00 83.48 O
+ATOM 71 N GLU B 11 1.718 28.214 9.766 1.00 83.22 N
+ATOM 72 CA GLU B 11 2.421 27.569 8.661 1.00 83.22 C
+ATOM 73 C GLU B 11 2.900 26.174 9.052 1.00 83.22 C
+ATOM 74 CB GLU B 11 3.606 28.423 8.205 1.00 83.22 C
+ATOM 75 O GLU B 11 2.785 25.230 8.268 1.00 83.22 O
+ATOM 76 CG GLU B 11 4.377 27.831 7.034 1.00 83.22 C
+ATOM 77 CD GLU B 11 3.551 27.733 5.761 1.00 83.22 C
+ATOM 78 OE1 GLU B 11 4.034 27.142 4.768 1.00 83.22 O
+ATOM 79 OE2 GLU B 11 2.412 28.251 5.756 1.00 83.22 O
+ATOM 80 N LEU B 12 3.484 26.079 10.153 1.00 83.92 N
+ATOM 81 CA LEU B 12 3.928 24.784 10.655 1.00 83.92 C
+ATOM 82 C LEU B 12 2.758 23.810 10.756 1.00 83.92 C
+ATOM 83 CB LEU B 12 4.598 24.939 12.022 1.00 83.92 C
+ATOM 84 O LEU B 12 2.878 22.646 10.367 1.00 83.92 O
+ATOM 85 CG LEU B 12 5.146 23.660 12.658 1.00 83.92 C
+ATOM 86 CD1 LEU B 12 6.267 23.082 11.802 1.00 83.92 C
+ATOM 87 CD2 LEU B 12 5.636 23.935 14.076 1.00 83.92 C
+ATOM 88 N GLN B 13 1.642 24.295 11.275 1.00 86.52 N
+ATOM 89 CA GLN B 13 0.453 23.458 11.394 1.00 86.52 C
+ATOM 90 C GLN B 13 -0.012 22.966 10.026 1.00 86.52 C
+ATOM 91 CB GLN B 13 -0.676 24.222 12.088 1.00 86.52 C
+ATOM 92 O GLN B 13 -0.416 21.810 9.881 1.00 86.52 O
+ATOM 93 CG GLN B 13 -0.471 24.394 13.587 1.00 86.52 C
+ATOM 94 CD GLN B 13 -1.564 25.221 14.238 1.00 86.52 C
+ATOM 95 NE2 GLN B 13 -1.522 25.322 15.562 1.00 86.52 N
+ATOM 96 OE1 GLN B 13 -2.438 25.765 13.556 1.00 86.52 O
+ATOM 97 N ARG B 14 0.058 23.844 9.057 1.00 88.24 N
+ATOM 98 CA ARG B 14 -0.332 23.469 7.701 1.00 88.24 C
+ATOM 99 C ARG B 14 0.605 22.406 7.136 1.00 88.24 C
+ATOM 100 CB ARG B 14 -0.345 24.695 6.786 1.00 88.24 C
+ATOM 101 O ARG B 14 0.156 21.456 6.491 1.00 88.24 O
+ATOM 102 CG ARG B 14 -1.566 25.583 6.964 1.00 88.24 C
+ATOM 103 CD ARG B 14 -1.627 26.677 5.907 1.00 88.24 C
+ATOM 104 NE ARG B 14 -2.673 27.653 6.200 1.00 88.24 N
+ATOM 105 NH1 ARG B 14 -2.120 29.075 4.466 1.00 88.24 N
+ATOM 106 NH2 ARG B 14 -3.863 29.588 5.863 1.00 88.24 N
+ATOM 107 CZ ARG B 14 -2.883 28.770 5.509 1.00 88.24 C
+ATOM 108 N LEU B 15 1.829 22.548 7.388 1.00 85.41 N
+ATOM 109 CA LEU B 15 2.812 21.587 6.899 1.00 85.41 C
+ATOM 110 C LEU B 15 2.621 20.228 7.563 1.00 85.41 C
+ATOM 111 CB LEU B 15 4.233 22.098 7.153 1.00 85.41 C
+ATOM 112 O LEU B 15 2.716 19.191 6.903 1.00 85.41 O
+ATOM 113 CG LEU B 15 4.698 23.269 6.287 1.00 85.41 C
+ATOM 114 CD1 LEU B 15 6.064 23.762 6.751 1.00 85.41 C
+ATOM 115 CD2 LEU B 15 4.740 22.864 4.817 1.00 85.41 C
+ATOM 116 N VAL B 16 2.354 20.300 8.805 1.00 87.28 N
+ATOM 117 CA VAL B 16 2.134 19.059 9.541 1.00 87.28 C
+ATOM 118 C VAL B 16 0.891 18.353 9.003 1.00 87.28 C
+ATOM 119 CB VAL B 16 1.987 19.317 11.057 1.00 87.28 C
+ATOM 120 O VAL B 16 0.897 17.135 8.809 1.00 87.28 O
+ATOM 121 CG1 VAL B 16 1.502 18.058 11.774 1.00 87.28 C
+ATOM 122 CG2 VAL B 16 3.312 19.795 11.648 1.00 87.28 C
+ATOM 123 N ALA B 17 -0.151 19.083 8.744 1.00 91.95 N
+ATOM 124 CA ALA B 17 -1.385 18.509 8.214 1.00 91.95 C
+ATOM 125 C ALA B 17 -1.157 17.896 6.835 1.00 91.95 C
+ATOM 126 CB ALA B 17 -2.480 19.570 8.147 1.00 91.95 C
+ATOM 127 O ALA B 17 -1.675 16.818 6.534 1.00 91.95 O
+ATOM 128 N ALA B 18 -0.447 18.537 6.044 1.00 90.18 N
+ATOM 129 CA ALA B 18 -0.139 18.037 4.706 1.00 90.18 C
+ATOM 130 C ALA B 18 0.662 16.741 4.776 1.00 90.18 C
+ATOM 131 CB ALA B 18 0.625 19.090 3.908 1.00 90.18 C
+ATOM 132 O ALA B 18 0.387 15.793 4.037 1.00 90.18 O
+ATOM 133 N GLU B 19 1.599 16.720 5.725 1.00 90.00 N
+ATOM 134 CA GLU B 19 2.421 15.524 5.884 1.00 90.00 C
+ATOM 135 C GLU B 19 1.595 14.352 6.406 1.00 90.00 C
+ATOM 136 CB GLU B 19 3.596 15.800 6.826 1.00 90.00 C
+ATOM 137 O GLU B 19 1.827 13.203 6.024 1.00 90.00 O
+ATOM 138 CG GLU B 19 4.634 14.688 6.857 1.00 90.00 C
+ATOM 139 CD GLU B 19 5.268 14.421 5.501 1.00 90.00 C
+ATOM 140 OE1 GLU B 19 5.732 13.283 5.261 1.00 90.00 O
+ATOM 141 OE2 GLU B 19 5.301 15.358 4.672 1.00 90.00 O
+ATOM 142 N GLN B 20 0.669 14.647 7.216 1.00 91.23 N
+ATOM 143 CA GLN B 20 -0.207 13.614 7.760 1.00 91.23 C
+ATOM 144 C GLN B 20 -1.079 13.002 6.667 1.00 91.23 C
+ATOM 145 CB GLN B 20 -1.085 14.186 8.874 1.00 91.23 C
+ATOM 146 O GLN B 20 -1.286 11.787 6.639 1.00 91.23 O
+ATOM 147 CG GLN B 20 -0.355 14.376 10.196 1.00 91.23 C
+ATOM 148 CD GLN B 20 -1.245 14.953 11.281 1.00 91.23 C
+ATOM 149 NE2 GLN B 20 -0.760 14.934 12.518 1.00 91.23 N
+ATOM 150 OE1 GLN B 20 -2.358 15.413 11.009 1.00 91.23 O
+ATOM 151 N GLN B 21 -1.579 13.771 5.764 1.00 93.77 N
+ATOM 152 CA GLN B 21 -2.386 13.287 4.649 1.00 93.77 C
+ATOM 153 C GLN B 21 -1.567 12.388 3.727 1.00 93.77 C
+ATOM 154 CB GLN B 21 -2.969 14.459 3.858 1.00 93.77 C
+ATOM 155 O GLN B 21 -2.046 11.342 3.285 1.00 93.77 O
+ATOM 156 CG GLN B 21 -4.085 15.196 4.585 1.00 93.77 C
+ATOM 157 CD GLN B 21 -4.669 16.332 3.766 1.00 93.77 C
+ATOM 158 NE2 GLN B 21 -5.994 16.433 3.751 1.00 93.77 N
+ATOM 159 OE1 GLN B 21 -3.935 17.113 3.152 1.00 93.77 O
+ATOM 160 N LYS B 22 -0.394 12.839 3.532 1.00 93.00 N
+ATOM 161 CA LYS B 22 0.493 12.033 2.697 1.00 93.00 C
+ATOM 162 C LYS B 22 0.773 10.678 3.341 1.00 93.00 C
+ATOM 163 CB LYS B 22 1.806 12.773 2.438 1.00 93.00 C
+ATOM 164 O LYS B 22 0.773 9.650 2.661 1.00 93.00 O
+ATOM 165 CG LYS B 22 2.724 12.076 1.445 1.00 93.00 C
+ATOM 166 CD LYS B 22 3.986 12.888 1.184 1.00 93.00 C
+ATOM 167 CE LYS B 22 4.951 12.145 0.270 1.00 93.00 C
+ATOM 168 NZ LYS B 22 6.208 12.920 0.046 1.00 93.00 N
+ATOM 169 N ALA B 23 1.045 10.698 4.626 1.00 92.95 N
+ATOM 170 CA ALA B 23 1.327 9.467 5.360 1.00 92.95 C
+ATOM 171 C ALA B 23 0.129 8.523 5.328 1.00 92.95 C
+ATOM 172 CB ALA B 23 1.713 9.784 6.803 1.00 92.95 C
+ATOM 173 O ALA B 23 0.291 7.307 5.196 1.00 92.95 O
+ATOM 174 N GLN B 24 -1.068 9.056 5.420 1.00 95.14 N
+ATOM 175 CA GLN B 24 -2.276 8.240 5.375 1.00 95.14 C
+ATOM 176 C GLN B 24 -2.455 7.598 4.002 1.00 95.14 C
+ATOM 177 CB GLN B 24 -3.505 9.080 5.726 1.00 95.14 C
+ATOM 178 O GLN B 24 -2.839 6.430 3.903 1.00 95.14 O
+ATOM 179 CG GLN B 24 -3.626 9.404 7.208 1.00 95.14 C
+ATOM 180 CD GLN B 24 -4.808 10.303 7.519 1.00 95.14 C
+ATOM 181 NE2 GLN B 24 -4.969 10.654 8.790 1.00 95.14 N
+ATOM 182 OE1 GLN B 24 -5.570 10.680 6.623 1.00 95.14 O
+ATOM 183 N PHE B 25 -2.205 8.409 3.000 1.00 96.07 N
+ATOM 184 CA PHE B 25 -2.278 7.881 1.642 1.00 96.07 C
+ATOM 185 C PHE B 25 -1.309 6.719 1.461 1.00 96.07 C
+ATOM 186 CB PHE B 25 -1.976 8.981 0.619 1.00 96.07 C
+ATOM 187 O PHE B 25 -1.691 5.657 0.963 1.00 96.07 O
+ATOM 188 CG PHE B 25 -2.043 8.515 -0.810 1.00 96.07 C
+ATOM 189 CD1 PHE B 25 -0.922 7.985 -1.436 1.00 96.07 C
+ATOM 190 CD2 PHE B 25 -3.228 8.608 -1.528 1.00 96.07 C
+ATOM 191 CE1 PHE B 25 -0.981 7.553 -2.759 1.00 96.07 C
+ATOM 192 CE2 PHE B 25 -3.295 8.178 -2.850 1.00 96.07 C
+ATOM 193 CZ PHE B 25 -2.170 7.652 -3.464 1.00 96.07 C
+ATOM 194 N THR B 26 -0.047 6.896 1.854 1.00 95.71 N
+ATOM 195 CA THR B 26 0.990 5.878 1.727 1.00 95.71 C
+ATOM 196 C THR B 26 0.615 4.623 2.509 1.00 95.71 C
+ATOM 197 CB THR B 26 2.352 6.404 2.217 1.00 95.71 C
+ATOM 198 O THR B 26 0.799 3.504 2.023 1.00 95.71 O
+ATOM 199 CG2 THR B 26 3.434 5.338 2.080 1.00 95.71 C
+ATOM 200 OG1 THR B 26 2.724 7.548 1.439 1.00 95.71 O
+ATOM 201 N ALA B 27 0.092 4.810 3.679 1.00 96.22 N
+ATOM 202 CA ALA B 27 -0.321 3.674 4.500 1.00 96.22 C
+ATOM 203 C ALA B 27 -1.422 2.872 3.812 1.00 96.22 C
+ATOM 204 CB ALA B 27 -0.792 4.152 5.871 1.00 96.22 C
+ATOM 205 O ALA B 27 -1.417 1.639 3.851 1.00 96.22 O
+ATOM 206 N GLN B 28 -2.309 3.560 3.209 1.00 97.50 N
+ATOM 207 CA GLN B 28 -3.396 2.877 2.515 1.00 97.50 C
+ATOM 208 C GLN B 28 -2.879 2.125 1.292 1.00 97.50 C
+ATOM 209 CB GLN B 28 -4.478 3.874 2.099 1.00 97.50 C
+ATOM 210 O GLN B 28 -3.344 1.022 0.994 1.00 97.50 O
+ATOM 211 CG GLN B 28 -5.802 3.223 1.722 1.00 97.50 C
+ATOM 212 CD GLN B 28 -6.418 2.439 2.865 1.00 97.50 C
+ATOM 213 NE2 GLN B 28 -6.913 1.243 2.565 1.00 97.50 N
+ATOM 214 OE1 GLN B 28 -6.447 2.903 4.009 1.00 97.50 O
+ATOM 215 N VAL B 29 -1.958 2.745 0.665 1.00 98.16 N
+ATOM 216 CA VAL B 29 -1.369 2.068 -0.486 1.00 98.16 C
+ATOM 217 C VAL B 29 -0.673 0.787 -0.032 1.00 98.16 C
+ATOM 218 CB VAL B 29 -0.371 2.982 -1.232 1.00 98.16 C
+ATOM 219 O VAL B 29 -0.780 -0.251 -0.689 1.00 98.16 O
+ATOM 220 CG1 VAL B 29 0.346 2.209 -2.337 1.00 98.16 C
+ATOM 221 CG2 VAL B 29 -1.092 4.199 -1.809 1.00 98.16 C
+ATOM 222 N HIS B 30 0.087 0.804 1.078 1.00 97.43 N
+ATOM 223 CA HIS B 30 0.697 -0.399 1.632 1.00 97.43 C
+ATOM 224 C HIS B 30 -0.351 -1.473 1.904 1.00 97.43 C
+ATOM 225 CB HIS B 30 1.458 -0.071 2.918 1.00 97.43 C
+ATOM 226 O HIS B 30 -0.123 -2.653 1.630 1.00 97.43 O
+ATOM 227 CG HIS B 30 2.800 0.544 2.681 1.00 97.43 C
+ATOM 228 CD2 HIS B 30 3.320 1.728 3.084 1.00 97.43 C
+ATOM 229 ND1 HIS B 30 3.783 -0.076 1.940 1.00 97.43 N
+ATOM 230 CE1 HIS B 30 4.852 0.701 1.900 1.00 97.43 C
+ATOM 231 NE2 HIS B 30 4.597 1.801 2.586 1.00 97.43 N
+ATOM 232 N HIS B 31 -1.432 -1.041 2.395 1.00 97.81 N
+ATOM 233 CA HIS B 31 -2.499 -1.992 2.687 1.00 97.81 C
+ATOM 234 C HIS B 31 -3.031 -2.632 1.409 1.00 97.81 C
+ATOM 235 CB HIS B 31 -3.638 -1.304 3.443 1.00 97.81 C
+ATOM 236 O HIS B 31 -3.223 -3.849 1.352 1.00 97.81 O
+ATOM 237 CG HIS B 31 -4.754 -2.227 3.815 1.00 97.81 C
+ATOM 238 CD2 HIS B 31 -6.050 -2.258 3.423 1.00 97.81 C
+ATOM 239 ND1 HIS B 31 -4.593 -3.272 4.698 1.00 97.81 N
+ATOM 240 CE1 HIS B 31 -5.744 -3.908 4.834 1.00 97.81 C
+ATOM 241 NE2 HIS B 31 -6.645 -3.313 4.070 1.00 97.81 N
+ATOM 242 N PHE B 32 -3.264 -1.821 0.435 1.00 98.67 N
+ATOM 243 CA PHE B 32 -3.705 -2.355 -0.848 1.00 98.67 C
+ATOM 244 C PHE B 32 -2.676 -3.327 -1.413 1.00 98.67 C
+ATOM 245 CB PHE B 32 -3.960 -1.221 -1.845 1.00 98.67 C
+ATOM 246 O PHE B 32 -3.035 -4.381 -1.942 1.00 98.67 O
+ATOM 247 CG PHE B 32 -5.127 -0.343 -1.481 1.00 98.67 C
+ATOM 248 CD1 PHE B 32 -6.216 -0.861 -0.791 1.00 98.67 C
+ATOM 249 CD2 PHE B 32 -5.135 1.001 -1.830 1.00 98.67 C
+ATOM 250 CE1 PHE B 32 -7.297 -0.051 -0.452 1.00 98.67 C
+ATOM 251 CE2 PHE B 32 -6.212 1.817 -1.495 1.00 98.67 C
+ATOM 252 CZ PHE B 32 -7.292 1.289 -0.807 1.00 98.67 C
+ATOM 253 N MET B 33 -1.433 -2.960 -1.285 1.00 98.55 N
+ATOM 254 CA MET B 33 -0.363 -3.819 -1.786 1.00 98.55 C
+ATOM 255 C MET B 33 -0.393 -5.180 -1.099 1.00 98.55 C
+ATOM 256 CB MET B 33 1.000 -3.157 -1.578 1.00 98.55 C
+ATOM 257 O MET B 33 -0.173 -6.209 -1.741 1.00 98.55 O
+ATOM 258 CG MET B 33 1.329 -2.093 -2.611 1.00 98.55 C
+ATOM 259 SD MET B 33 1.381 -2.763 -4.319 1.00 98.55 S
+ATOM 260 CE MET B 33 2.845 -3.828 -4.200 1.00 98.55 C
+ATOM 261 N GLU B 34 -0.637 -5.218 0.149 1.00 97.31 N
+ATOM 262 CA GLU B 34 -0.710 -6.466 0.903 1.00 97.31 C
+ATOM 263 C GLU B 34 -1.802 -7.380 0.353 1.00 97.31 C
+ATOM 264 CB GLU B 34 -0.957 -6.185 2.387 1.00 97.31 C
+ATOM 265 O GLU B 34 -1.599 -8.589 0.222 1.00 97.31 O
+ATOM 266 CG GLU B 34 0.272 -5.684 3.131 1.00 97.31 C
+ATOM 267 CD GLU B 34 0.049 -5.537 4.628 1.00 97.31 C
+ATOM 268 OE1 GLU B 34 1.000 -5.158 5.349 1.00 97.31 O
+ATOM 269 OE2 GLU B 34 -1.085 -5.803 5.083 1.00 97.31 O
+ATOM 270 N LEU B 35 -2.847 -6.789 -0.045 1.00 98.31 N
+ATOM 271 CA LEU B 35 -3.994 -7.564 -0.506 1.00 98.31 C
+ATOM 272 C LEU B 35 -3.877 -7.875 -1.994 1.00 98.31 C
+ATOM 273 CB LEU B 35 -5.297 -6.807 -0.232 1.00 98.31 C
+ATOM 274 O LEU B 35 -3.984 -9.035 -2.400 1.00 98.31 O
+ATOM 275 CG LEU B 35 -5.648 -6.573 1.238 1.00 98.31 C
+ATOM 276 CD1 LEU B 35 -6.800 -5.580 1.356 1.00 98.31 C
+ATOM 277 CD2 LEU B 35 -6.000 -7.890 1.921 1.00 98.31 C
+ATOM 278 N CYS B 36 -3.599 -6.907 -2.733 1.00 98.78 N
+ATOM 279 CA CYS B 36 -3.684 -7.016 -4.185 1.00 98.78 C
+ATOM 280 C CYS B 36 -2.482 -7.766 -4.747 1.00 98.78 C
+ATOM 281 CB CYS B 36 -3.776 -5.630 -4.823 1.00 98.78 C
+ATOM 282 O CYS B 36 -2.603 -8.485 -5.741 1.00 98.78 O
+ATOM 283 SG CYS B 36 -5.266 -4.717 -4.368 1.00 98.78 S
+ATOM 284 N TRP B 37 -1.318 -7.660 -4.124 1.00 98.39 N
+ATOM 285 CA TRP B 37 -0.132 -8.388 -4.563 1.00 98.39 C
+ATOM 286 C TRP B 37 -0.393 -9.890 -4.586 1.00 98.39 C
+ATOM 287 CB TRP B 37 1.059 -8.077 -3.652 1.00 98.39 C
+ATOM 288 O TRP B 37 -0.144 -10.555 -5.595 1.00 98.39 O
+ATOM 289 CG TRP B 37 2.295 -8.860 -3.977 1.00 98.39 C
+ATOM 290 CD1 TRP B 37 2.684 -10.051 -3.429 1.00 98.39 C
+ATOM 291 CD2 TRP B 37 3.308 -8.504 -4.923 1.00 98.39 C
+ATOM 292 CE2 TRP B 37 4.282 -9.527 -4.897 1.00 98.39 C
+ATOM 293 CE3 TRP B 37 3.486 -7.419 -5.791 1.00 98.39 C
+ATOM 294 NE1 TRP B 37 3.878 -10.457 -3.978 1.00 98.39 N
+ATOM 295 CH2 TRP B 37 5.569 -8.422 -6.548 1.00 98.39 C
+ATOM 296 CZ2 TRP B 37 5.419 -9.495 -5.708 1.00 98.39 C
+ATOM 297 CZ3 TRP B 37 4.618 -7.390 -6.597 1.00 98.39 C
+ATOM 298 N ASP B 38 -0.931 -10.403 -3.573 1.00 96.19 N
+ATOM 299 CA ASP B 38 -1.173 -11.836 -3.445 1.00 96.19 C
+ATOM 300 C ASP B 38 -2.265 -12.296 -4.408 1.00 96.19 C
+ATOM 301 CB ASP B 38 -1.558 -12.189 -2.006 1.00 96.19 C
+ATOM 302 O ASP B 38 -2.207 -13.409 -4.935 1.00 96.19 O
+ATOM 303 CG ASP B 38 -0.385 -12.117 -1.045 1.00 96.19 C
+ATOM 304 OD1 ASP B 38 0.779 -12.118 -1.501 1.00 96.19 O
+ATOM 305 OD2 ASP B 38 -0.626 -12.062 0.181 1.00 96.19 O
+ATOM 306 N LYS B 39 -3.116 -11.478 -4.692 1.00 97.86 N
+ATOM 307 CA LYS B 39 -4.246 -11.841 -5.542 1.00 97.86 C
+ATOM 308 C LYS B 39 -3.873 -11.756 -7.019 1.00 97.86 C
+ATOM 309 CB LYS B 39 -5.447 -10.940 -5.253 1.00 97.86 C
+ATOM 310 O LYS B 39 -4.381 -12.524 -7.839 1.00 97.86 O
+ATOM 311 CG LYS B 39 -6.323 -11.424 -4.106 1.00 97.86 C
+ATOM 312 CD LYS B 39 -7.543 -10.531 -3.919 1.00 97.86 C
+ATOM 313 CE LYS B 39 -8.305 -10.884 -2.649 1.00 97.86 C
+ATOM 314 NZ LYS B 39 -9.183 -12.076 -2.843 1.00 97.86 N
+ATOM 315 N CYS B 40 -3.018 -10.893 -7.305 1.00 98.46 N
+ATOM 316 CA CYS B 40 -2.875 -10.564 -8.719 1.00 98.46 C
+ATOM 317 C CYS B 40 -1.506 -10.984 -9.241 1.00 98.46 C
+ATOM 318 CB CYS B 40 -3.079 -9.066 -8.944 1.00 98.46 C
+ATOM 319 O CYS B 40 -1.329 -11.180 -10.444 1.00 98.46 O
+ATOM 320 SG CYS B 40 -4.741 -8.489 -8.536 1.00 98.46 S
+ATOM 321 N VAL B 41 -0.455 -11.037 -8.365 1.00 97.38 N
+ATOM 322 CA VAL B 41 0.897 -11.321 -8.833 1.00 97.38 C
+ATOM 323 C VAL B 41 1.272 -12.761 -8.489 1.00 97.38 C
+ATOM 324 CB VAL B 41 1.926 -10.343 -8.221 1.00 97.38 C
+ATOM 325 O VAL B 41 1.556 -13.076 -7.331 1.00 97.38 O
+ATOM 326 CG1 VAL B 41 3.325 -10.621 -8.767 1.00 97.38 C
+ATOM 327 CG2 VAL B 41 1.517 -8.898 -8.500 1.00 97.38 C
+ATOM 328 N GLU B 42 1.386 -13.588 -9.521 1.00 93.06 N
+ATOM 329 CA GLU B 42 1.711 -14.994 -9.304 1.00 93.06 C
+ATOM 330 C GLU B 42 3.221 -15.210 -9.261 1.00 93.06 C
+ATOM 331 CB GLU B 42 1.086 -15.866 -10.397 1.00 93.06 C
+ATOM 332 O GLU B 42 3.739 -15.822 -8.324 1.00 93.06 O
+ATOM 333 CG GLU B 42 1.159 -17.358 -10.110 1.00 93.06 C
+ATOM 334 CD GLU B 42 0.412 -18.203 -11.129 1.00 93.06 C
+ATOM 335 OE1 GLU B 42 0.426 -19.449 -11.012 1.00 93.06 O
+ATOM 336 OE2 GLU B 42 -0.191 -17.613 -12.054 1.00 93.06 O
+ATOM 337 N LYS B 43 3.946 -14.840 -10.170 1.00 91.46 N
+ATOM 338 CA LYS B 43 5.399 -14.940 -10.267 1.00 91.46 C
+ATOM 339 C LYS B 43 5.998 -13.673 -10.870 1.00 91.46 C
+ATOM 340 CB LYS B 43 5.799 -16.157 -11.103 1.00 91.46 C
+ATOM 341 O LYS B 43 5.490 -13.152 -11.865 1.00 91.46 O
+ATOM 342 CG LYS B 43 5.593 -17.489 -10.395 1.00 91.46 C
+ATOM 343 CD LYS B 43 6.118 -18.651 -11.228 1.00 91.46 C
+ATOM 344 CE LYS B 43 5.990 -19.974 -10.485 1.00 91.46 C
+ATOM 345 NZ LYS B 43 5.510 -21.069 -11.382 1.00 91.46 N
+ATOM 346 N PRO B 44 7.094 -13.337 -10.202 1.00 91.39 N
+ATOM 347 CA PRO B 44 7.736 -12.146 -10.763 1.00 91.39 C
+ATOM 348 C PRO B 44 8.408 -12.416 -12.108 1.00 91.39 C
+ATOM 349 CB PRO B 44 8.773 -11.771 -9.701 1.00 91.39 C
+ATOM 350 O PRO B 44 9.214 -13.342 -12.224 1.00 91.39 O
+ATOM 351 CG PRO B 44 8.973 -13.020 -8.905 1.00 91.39 C
+ATOM 352 CD PRO B 44 7.768 -13.898 -9.083 1.00 91.39 C
+ATOM 353 N GLY B 45 7.935 -11.667 -13.203 1.00 91.10 N
+ATOM 354 CA GLY B 45 8.499 -11.821 -14.535 1.00 91.10 C
+ATOM 355 C GLY B 45 9.357 -10.645 -14.959 1.00 91.10 C
+ATOM 356 O GLY B 45 9.815 -9.869 -14.119 1.00 91.10 O
+ATOM 357 N ASN B 46 9.684 -10.639 -16.193 1.00 93.15 N
+ATOM 358 CA ASN B 46 10.572 -9.621 -16.743 1.00 93.15 C
+ATOM 359 C ASN B 46 9.893 -8.255 -16.799 1.00 93.15 C
+ATOM 360 CB ASN B 46 11.058 -10.029 -18.135 1.00 93.15 C
+ATOM 361 O ASN B 46 10.565 -7.222 -16.780 1.00 93.15 O
+ATOM 362 CG ASN B 46 12.259 -9.224 -18.594 1.00 93.15 C
+ATOM 363 ND2 ASN B 46 12.158 -8.630 -19.777 1.00 93.15 N
+ATOM 364 OD1 ASN B 46 13.269 -9.139 -17.891 1.00 93.15 O
+ATOM 365 N ARG B 47 8.561 -8.366 -16.863 1.00 94.72 N
+ATOM 366 CA ARG B 47 7.775 -7.136 -16.867 1.00 94.72 C
+ATOM 367 C ARG B 47 6.407 -7.358 -16.230 1.00 94.72 C
+ATOM 368 CB ARG B 47 7.610 -6.608 -18.293 1.00 94.72 C
+ATOM 369 O ARG B 47 5.961 -8.498 -16.087 1.00 94.72 O
+ATOM 370 CG ARG B 47 6.898 -7.572 -19.229 1.00 94.72 C
+ATOM 371 CD ARG B 47 6.821 -7.028 -20.648 1.00 94.72 C
+ATOM 372 NE ARG B 47 6.094 -7.933 -21.534 1.00 94.72 N
+ATOM 373 NH1 ARG B 47 4.450 -6.406 -22.084 1.00 94.72 N
+ATOM 374 NH2 ARG B 47 4.404 -8.518 -22.975 1.00 94.72 N
+ATOM 375 CZ ARG B 47 4.984 -7.617 -22.195 1.00 94.72 C
+ATOM 376 N LEU B 48 5.890 -6.273 -15.775 1.00 96.15 N
+ATOM 377 CA LEU B 48 4.498 -6.327 -15.341 1.00 96.15 C
+ATOM 378 C LEU B 48 3.554 -6.322 -16.538 1.00 96.15 C
+ATOM 379 CB LEU B 48 4.178 -5.148 -14.418 1.00 96.15 C
+ATOM 380 O LEU B 48 3.301 -5.270 -17.130 1.00 96.15 O
+ATOM 381 CG LEU B 48 2.881 -5.250 -13.613 1.00 96.15 C
+ATOM 382 CD1 LEU B 48 2.997 -6.345 -12.558 1.00 96.15 C
+ATOM 383 CD2 LEU B 48 2.546 -3.910 -12.967 1.00 96.15 C
+ATOM 384 N ASP B 49 2.930 -7.506 -16.794 1.00 95.29 N
+ATOM 385 CA ASP B 49 2.102 -7.610 -17.991 1.00 95.29 C
+ATOM 386 C ASP B 49 0.766 -6.896 -17.799 1.00 95.29 C
+ATOM 387 CB ASP B 49 1.867 -9.078 -18.355 1.00 95.29 C
+ATOM 388 O ASP B 49 0.370 -6.602 -16.669 1.00 95.29 O
+ATOM 389 CG ASP B 49 1.089 -9.835 -17.293 1.00 95.29 C
+ATOM 390 OD1 ASP B 49 -0.160 -9.830 -17.332 1.00 95.29 O
+ATOM 391 OD2 ASP B 49 1.732 -10.440 -16.408 1.00 95.29 O
+ATOM 392 N SER B 50 0.112 -6.625 -18.900 1.00 96.67 N
+ATOM 393 CA SER B 50 -1.110 -5.827 -18.916 1.00 96.67 C
+ATOM 394 C SER B 50 -2.213 -6.491 -18.099 1.00 96.67 C
+ATOM 395 CB SER B 50 -1.588 -5.607 -20.351 1.00 96.67 C
+ATOM 396 O SER B 50 -2.973 -5.812 -17.405 1.00 96.67 O
+ATOM 397 OG SER B 50 -2.710 -4.741 -20.380 1.00 96.67 O
+ATOM 398 N ARG B 51 -2.271 -7.817 -18.142 1.00 97.35 N
+ATOM 399 CA ARG B 51 -3.290 -8.556 -17.403 1.00 97.35 C
+ATOM 400 C ARG B 51 -3.133 -8.351 -15.900 1.00 97.35 C
+ATOM 401 CB ARG B 51 -3.223 -10.047 -17.738 1.00 97.35 C
+ATOM 402 O ARG B 51 -4.116 -8.116 -15.194 1.00 97.35 O
+ATOM 403 CG ARG B 51 -4.269 -10.887 -17.023 1.00 97.35 C
+ATOM 404 CD ARG B 51 -4.200 -12.350 -17.440 1.00 97.35 C
+ATOM 405 NE ARG B 51 -5.301 -13.125 -16.875 1.00 97.35 N
+ATOM 406 NH1 ARG B 51 -5.361 -14.676 -18.586 1.00 97.35 N
+ATOM 407 NH2 ARG B 51 -6.827 -14.840 -16.831 1.00 97.35 N
+ATOM 408 CZ ARG B 51 -5.827 -14.212 -17.432 1.00 97.35 C
+ATOM 409 N THR B 52 -1.889 -8.478 -15.422 1.00 98.10 N
+ATOM 410 CA THR B 52 -1.598 -8.291 -14.005 1.00 98.10 C
+ATOM 411 C THR B 52 -1.863 -6.848 -13.584 1.00 98.10 C
+ATOM 412 CB THR B 52 -0.139 -8.663 -13.680 1.00 98.10 C
+ATOM 413 O THR B 52 -2.419 -6.601 -12.512 1.00 98.10 O
+ATOM 414 CG2 THR B 52 0.140 -8.537 -12.186 1.00 98.10 C
+ATOM 415 OG1 THR B 52 0.105 -10.015 -14.089 1.00 98.10 O
+ATOM 416 N GLU B 53 -1.482 -5.882 -14.390 1.00 98.10 N
+ATOM 417 CA GLU B 53 -1.734 -4.472 -14.108 1.00 98.10 C
+ATOM 418 C GLU B 53 -3.228 -4.197 -13.965 1.00 98.10 C
+ATOM 419 CB GLU B 53 -1.139 -3.589 -15.207 1.00 98.10 C
+ATOM 420 O GLU B 53 -3.648 -3.481 -13.053 1.00 98.10 O
+ATOM 421 CG GLU B 53 -1.161 -2.102 -14.881 1.00 98.10 C
+ATOM 422 CD GLU B 53 -0.435 -1.251 -15.910 1.00 98.10 C
+ATOM 423 OE1 GLU B 53 -0.399 -0.009 -15.754 1.00 98.10 O
+ATOM 424 OE2 GLU B 53 0.101 -1.830 -16.881 1.00 98.10 O
+ATOM 425 N ASN B 54 -3.978 -4.769 -14.887 1.00 98.58 N
+ATOM 426 CA ASN B 54 -5.425 -4.595 -14.809 1.00 98.58 C
+ATOM 427 C ASN B 54 -6.000 -5.239 -13.551 1.00 98.58 C
+ATOM 428 CB ASN B 54 -6.102 -5.168 -16.056 1.00 98.58 C
+ATOM 429 O ASN B 54 -6.905 -4.686 -12.924 1.00 98.58 O
+ATOM 430 CG ASN B 54 -5.831 -4.344 -17.299 1.00 98.58 C
+ATOM 431 ND2 ASN B 54 -5.875 -4.988 -18.459 1.00 98.58 N
+ATOM 432 OD1 ASN B 54 -5.583 -3.138 -17.217 1.00 98.58 O
+ATOM 433 N CYS B 55 -5.508 -6.415 -13.256 1.00 98.83 N
+ATOM 434 CA CYS B 55 -5.935 -7.089 -12.035 1.00 98.83 C
+ATOM 435 C CYS B 55 -5.663 -6.223 -10.810 1.00 98.83 C
+ATOM 436 CB CYS B 55 -5.224 -8.434 -11.887 1.00 98.83 C
+ATOM 437 O CYS B 55 -6.533 -6.062 -9.953 1.00 98.83 O
+ATOM 438 SG CYS B 55 -5.645 -9.317 -10.369 1.00 98.83 S
+ATOM 439 N LEU B 56 -4.487 -5.615 -10.730 1.00 98.87 N
+ATOM 440 CA LEU B 56 -4.102 -4.772 -9.603 1.00 98.87 C
+ATOM 441 C LEU B 56 -5.022 -3.561 -9.490 1.00 98.87 C
+ATOM 442 CB LEU B 56 -2.649 -4.312 -9.750 1.00 98.87 C
+ATOM 443 O LEU B 56 -5.494 -3.234 -8.399 1.00 98.87 O
+ATOM 444 CG LEU B 56 -1.575 -5.379 -9.535 1.00 98.87 C
+ATOM 445 CD1 LEU B 56 -0.225 -4.882 -10.040 1.00 98.87 C
+ATOM 446 CD2 LEU B 56 -1.491 -5.765 -8.061 1.00 98.87 C
+ATOM 447 N SER B 57 -5.262 -2.912 -10.587 1.00 98.80 N
+ATOM 448 CA SER B 57 -6.150 -1.754 -10.587 1.00 98.80 C
+ATOM 449 C SER B 57 -7.558 -2.137 -10.145 1.00 98.80 C
+ATOM 450 CB SER B 57 -6.198 -1.116 -11.976 1.00 98.80 C
+ATOM 451 O SER B 57 -8.165 -1.450 -9.321 1.00 98.80 O
+ATOM 452 OG SER B 57 -4.920 -0.632 -12.352 1.00 98.80 O
+ATOM 453 N SER B 58 -8.039 -3.245 -10.689 1.00 98.84 N
+ATOM 454 CA SER B 58 -9.374 -3.707 -10.319 1.00 98.84 C
+ATOM 455 C SER B 58 -9.432 -4.110 -8.850 1.00 98.84 C
+ATOM 456 CB SER B 58 -9.796 -4.885 -11.197 1.00 98.84 C
+ATOM 457 O SER B 58 -10.452 -3.912 -8.186 1.00 98.84 O
+ATOM 458 OG SER B 58 -9.945 -4.480 -12.547 1.00 98.84 O
+ATOM 459 N CYS B 59 -8.406 -4.734 -8.381 1.00 98.87 N
+ATOM 460 CA CYS B 59 -8.315 -5.152 -6.987 1.00 98.87 C
+ATOM 461 C CYS B 59 -8.520 -3.969 -6.048 1.00 98.87 C
+ATOM 462 CB CYS B 59 -6.961 -5.805 -6.710 1.00 98.87 C
+ATOM 463 O CYS B 59 -9.296 -4.055 -5.095 1.00 98.87 O
+ATOM 464 SG CYS B 59 -6.753 -6.354 -5.002 1.00 98.87 S
+ATOM 465 N VAL B 60 -7.924 -2.864 -6.335 1.00 98.82 N
+ATOM 466 CA VAL B 60 -8.066 -1.659 -5.524 1.00 98.82 C
+ATOM 467 C VAL B 60 -9.525 -1.209 -5.518 1.00 98.82 C
+ATOM 468 CB VAL B 60 -7.158 -0.519 -6.038 1.00 98.82 C
+ATOM 469 O VAL B 60 -10.115 -1.008 -4.454 1.00 98.82 O
+ATOM 470 CG1 VAL B 60 -7.441 0.778 -5.283 1.00 98.82 C
+ATOM 471 CG2 VAL B 60 -5.687 -0.908 -5.906 1.00 98.82 C
+ATOM 472 N ASP B 61 -10.125 -1.124 -6.687 1.00 98.64 N
+ATOM 473 CA ASP B 61 -11.502 -0.658 -6.824 1.00 98.64 C
+ATOM 474 C ASP B 61 -12.467 -1.568 -6.067 1.00 98.64 C
+ATOM 475 CB ASP B 61 -11.899 -0.582 -8.299 1.00 98.64 C
+ATOM 476 O ASP B 61 -13.333 -1.089 -5.332 1.00 98.64 O
+ATOM 477 CG ASP B 61 -11.285 0.606 -9.018 1.00 98.64 C
+ATOM 478 OD1 ASP B 61 -11.027 1.644 -8.371 1.00 98.64 O
+ATOM 479 OD2 ASP B 61 -11.060 0.505 -10.244 1.00 98.64 O
+ATOM 480 N ARG B 62 -12.213 -2.790 -6.218 1.00 98.70 N
+ATOM 481 CA ARG B 62 -13.148 -3.739 -5.622 1.00 98.70 C
+ATOM 482 C ARG B 62 -13.010 -3.763 -4.104 1.00 98.70 C
+ATOM 483 CB ARG B 62 -12.927 -5.142 -6.191 1.00 98.70 C
+ATOM 484 O ARG B 62 -13.990 -3.986 -3.390 1.00 98.70 O
+ATOM 485 CG ARG B 62 -13.387 -5.302 -7.631 1.00 98.70 C
+ATOM 486 CD ARG B 62 -14.890 -5.104 -7.769 1.00 98.70 C
+ATOM 487 NE ARG B 62 -15.231 -3.701 -7.985 1.00 98.70 N
+ATOM 488 NH1 ARG B 62 -15.690 -3.946 -10.236 1.00 98.70 N
+ATOM 489 NH2 ARG B 62 -15.892 -1.893 -9.237 1.00 98.70 N
+ATOM 490 CZ ARG B 62 -15.603 -3.183 -9.153 1.00 98.70 C
+ATOM 491 N PHE B 63 -11.797 -3.535 -3.628 1.00 98.67 N
+ATOM 492 CA PHE B 63 -11.644 -3.458 -2.180 1.00 98.67 C
+ATOM 493 C PHE B 63 -12.423 -2.276 -1.615 1.00 98.67 C
+ATOM 494 CB PHE B 63 -10.165 -3.342 -1.799 1.00 98.67 C
+ATOM 495 O PHE B 63 -13.093 -2.401 -0.589 1.00 98.67 O
+ATOM 496 CG PHE B 63 -9.917 -3.361 -0.315 1.00 98.67 C
+ATOM 497 CD1 PHE B 63 -9.741 -2.176 0.389 1.00 98.67 C
+ATOM 498 CD2 PHE B 63 -9.859 -4.564 0.376 1.00 98.67 C
+ATOM 499 CE1 PHE B 63 -9.511 -2.189 1.763 1.00 98.67 C
+ATOM 500 CE2 PHE B 63 -9.629 -4.585 1.749 1.00 98.67 C
+ATOM 501 CZ PHE B 63 -9.455 -3.397 2.440 1.00 98.67 C
+ATOM 502 N ILE B 64 -12.306 -1.184 -2.256 1.00 98.17 N
+ATOM 503 CA ILE B 64 -13.021 0.002 -1.798 1.00 98.17 C
+ATOM 504 C ILE B 64 -14.527 -0.239 -1.880 1.00 98.17 C
+ATOM 505 CB ILE B 64 -12.633 1.250 -2.622 1.00 98.17 C
+ATOM 506 O ILE B 64 -15.264 0.077 -0.943 1.00 98.17 O
+ATOM 507 CG1 ILE B 64 -11.152 1.587 -2.414 1.00 98.17 C
+ATOM 508 CG2 ILE B 64 -13.523 2.440 -2.253 1.00 98.17 C
+ATOM 509 CD1 ILE B 64 -10.635 2.693 -3.324 1.00 98.17 C
+ATOM 510 N ASP B 65 -14.964 -0.866 -2.960 1.00 98.31 N
+ATOM 511 CA ASP B 65 -16.378 -1.203 -3.096 1.00 98.31 C
+ATOM 512 C ASP B 65 -16.835 -2.123 -1.967 1.00 98.31 C
+ATOM 513 CB ASP B 65 -16.644 -1.861 -4.452 1.00 98.31 C
+ATOM 514 O ASP B 65 -17.928 -1.951 -1.423 1.00 98.31 O
+ATOM 515 CG ASP B 65 -16.512 -0.895 -5.616 1.00 98.31 C
+ATOM 516 OD1 ASP B 65 -16.508 0.334 -5.392 1.00 98.31 O
+ATOM 517 OD2 ASP B 65 -16.414 -1.368 -6.769 1.00 98.31 O
+ATOM 518 N THR B 66 -16.035 -3.042 -1.716 1.00 98.60 N
+ATOM 519 CA THR B 66 -16.358 -3.994 -0.659 1.00 98.60 C
+ATOM 520 C THR B 66 -16.478 -3.288 0.688 1.00 98.60 C
+ATOM 521 CB THR B 66 -15.298 -5.107 -0.566 1.00 98.60 C
+ATOM 522 O THR B 66 -17.425 -3.528 1.439 1.00 98.60 O
+ATOM 523 CG2 THR B 66 -15.616 -6.077 0.567 1.00 98.60 C
+ATOM 524 OG1 THR B 66 -15.263 -5.830 -1.803 1.00 98.60 O
+ATOM 525 N THR B 67 -15.533 -2.373 0.983 1.00 97.83 N
+ATOM 526 CA THR B 67 -15.560 -1.625 2.234 1.00 97.83 C
+ATOM 527 C THR B 67 -16.838 -0.797 2.342 1.00 97.83 C
+ATOM 528 CB THR B 67 -14.335 -0.701 2.360 1.00 97.83 C
+ATOM 529 O THR B 67 -17.486 -0.779 3.390 1.00 97.83 O
+ATOM 530 CG2 THR B 67 -14.378 0.096 3.660 1.00 97.83 C
+ATOM 531 OG1 THR B 67 -13.141 -1.494 2.339 1.00 97.83 O
+ATOM 532 N LEU B 68 -17.265 -0.144 1.298 1.00 97.24 N
+ATOM 533 CA LEU B 68 -18.465 0.685 1.290 1.00 97.24 C
+ATOM 534 C LEU B 68 -19.717 -0.168 1.462 1.00 97.24 C
+ATOM 535 CB LEU B 68 -18.554 1.487 -0.011 1.00 97.24 C
+ATOM 536 O LEU B 68 -20.644 0.219 2.178 1.00 97.24 O
+ATOM 537 CG LEU B 68 -17.528 2.607 -0.189 1.00 97.24 C
+ATOM 538 CD1 LEU B 68 -17.655 3.226 -1.577 1.00 97.24 C
+ATOM 539 CD2 LEU B 68 -17.700 3.667 0.893 1.00 97.24 C
+ATOM 540 N ALA B 69 -19.696 -1.347 0.813 1.00 98.28 N
+ATOM 541 CA ALA B 69 -20.843 -2.244 0.924 1.00 98.28 C
+ATOM 542 C ALA B 69 -21.021 -2.733 2.358 1.00 98.28 C
+ATOM 543 CB ALA B 69 -20.684 -3.431 -0.024 1.00 98.28 C
+ATOM 544 O ALA B 69 -22.139 -2.759 2.878 1.00 98.28 O
+ATOM 545 N ILE B 70 -20.002 -3.063 2.967 1.00 98.29 N
+ATOM 546 CA ILE B 70 -20.047 -3.571 4.334 1.00 98.29 C
+ATOM 547 C ILE B 70 -20.454 -2.450 5.288 1.00 98.29 C
+ATOM 548 CB ILE B 70 -18.688 -4.170 4.759 1.00 98.29 C
+ATOM 549 O ILE B 70 -21.285 -2.654 6.176 1.00 98.29 O
+ATOM 550 CG1 ILE B 70 -18.424 -5.481 4.010 1.00 98.29 C
+ATOM 551 CG2 ILE B 70 -18.644 -4.387 6.275 1.00 98.29 C
+ATOM 552 CD1 ILE B 70 -17.040 -6.067 4.256 1.00 98.29 C
+ATOM 553 N THR B 71 -19.823 -1.302 5.111 1.00 97.33 N
+ATOM 554 CA THR B 71 -20.157 -0.162 5.957 1.00 97.33 C
+ATOM 555 C THR B 71 -21.638 0.184 5.838 1.00 97.33 C
+ATOM 556 CB THR B 71 -19.308 1.071 5.592 1.00 97.33 C
+ATOM 557 O THR B 71 -22.301 0.450 6.843 1.00 97.33 O
+ATOM 558 CG2 THR B 71 -19.660 2.262 6.478 1.00 97.33 C
+ATOM 559 OG1 THR B 71 -17.921 0.756 5.763 1.00 97.33 O
+ATOM 560 N SER B 72 -22.186 0.166 4.681 1.00 96.65 N
+ATOM 561 CA SER B 72 -23.599 0.447 4.448 1.00 96.65 C
+ATOM 562 C SER B 72 -24.488 -0.596 5.118 1.00 96.65 C
+ATOM 563 CB SER B 72 -23.897 0.496 2.949 1.00 96.65 C
+ATOM 564 O SER B 72 -25.495 -0.254 5.741 1.00 96.65 O
+ATOM 565 OG SER B 72 -25.280 0.704 2.717 1.00 96.65 O
+ATOM 566 N ARG B 73 -24.110 -1.788 4.967 1.00 97.25 N
+ATOM 567 CA ARG B 73 -24.883 -2.853 5.599 1.00 97.25 C
+ATOM 568 C ARG B 73 -24.854 -2.723 7.118 1.00 97.25 C
+ATOM 569 CB ARG B 73 -24.352 -4.225 5.180 1.00 97.25 C
+ATOM 570 O ARG B 73 -25.879 -2.896 7.781 1.00 97.25 O
+ATOM 571 CG ARG B 73 -25.140 -5.392 5.753 1.00 97.25 C
+ATOM 572 CD ARG B 73 -24.679 -6.723 5.174 1.00 97.25 C
+ATOM 573 NE ARG B 73 -25.490 -7.833 5.664 1.00 97.25 N
+ATOM 574 NH1 ARG B 73 -24.007 -8.455 7.322 1.00 97.25 N
+ATOM 575 NH2 ARG B 73 -25.965 -9.612 7.036 1.00 97.25 N
+ATOM 576 CZ ARG B 73 -25.152 -8.631 6.673 1.00 97.25 C
+ATOM 577 N PHE B 74 -23.709 -2.429 7.643 1.00 96.81 N
+ATOM 578 CA PHE B 74 -23.574 -2.245 9.083 1.00 96.81 C
+ATOM 579 C PHE B 74 -24.478 -1.121 9.572 1.00 96.81 C
+ATOM 580 CB PHE B 74 -22.117 -1.947 9.453 1.00 96.81 C
+ATOM 581 O PHE B 74 -25.144 -1.256 10.601 1.00 96.81 O
+ATOM 582 CG PHE B 74 -21.883 -1.811 10.933 1.00 96.81 C
+ATOM 583 CD1 PHE B 74 -21.668 -0.563 11.505 1.00 96.81 C
+ATOM 584 CD2 PHE B 74 -21.878 -2.932 11.753 1.00 96.81 C
+ATOM 585 CE1 PHE B 74 -21.451 -0.434 12.875 1.00 96.81 C
+ATOM 586 CE2 PHE B 74 -21.662 -2.811 13.123 1.00 96.81 C
+ATOM 587 CZ PHE B 74 -21.447 -1.562 13.682 1.00 96.81 C
+ATOM 588 N ALA B 75 -24.547 -0.072 8.877 1.00 96.09 N
+ATOM 589 CA ALA B 75 -25.405 1.055 9.231 1.00 96.09 C
+ATOM 590 C ALA B 75 -26.876 0.650 9.220 1.00 96.09 C
+ATOM 591 CB ALA B 75 -25.170 2.223 8.276 1.00 96.09 C
+ATOM 592 O ALA B 75 -27.652 1.084 10.074 1.00 96.09 O
+ATOM 593 N GLN B 76 -27.307 -0.209 8.311 1.00 95.32 N
+ATOM 594 CA GLN B 76 -28.683 -0.685 8.209 1.00 95.32 C
+ATOM 595 C GLN B 76 -29.056 -1.550 9.409 1.00 95.32 C
+ATOM 596 CB GLN B 76 -28.885 -1.469 6.912 1.00 95.32 C
+ATOM 597 O GLN B 76 -30.159 -1.433 9.946 1.00 95.32 O
+ATOM 598 CG GLN B 76 -28.868 -0.603 5.660 1.00 95.32 C
+ATOM 599 CD GLN B 76 -28.869 -1.419 4.381 1.00 95.32 C
+ATOM 600 NE2 GLN B 76 -28.796 -0.738 3.243 1.00 95.32 N
+ATOM 601 OE1 GLN B 76 -28.933 -2.652 4.416 1.00 95.32 O
+ATOM 602 N ILE B 77 -28.156 -2.286 9.863 1.00 95.48 N
+ATOM 603 CA ILE B 77 -28.395 -3.190 10.982 1.00 95.48 C
+ATOM 604 C ILE B 77 -28.522 -2.388 12.275 1.00 95.48 C
+ATOM 605 CB ILE B 77 -27.270 -4.241 11.112 1.00 95.48 C
+ATOM 606 O ILE B 77 -29.372 -2.687 13.118 1.00 95.48 O
+ATOM 607 CG1 ILE B 77 -27.339 -5.243 9.954 1.00 95.48 C
+ATOM 608 CG2 ILE B 77 -27.353 -4.957 12.463 1.00 95.48 C
+ATOM 609 CD1 ILE B 77 -26.137 -6.173 9.868 1.00 95.48 C
+ATOM 610 N VAL B 78 -27.743 -1.462 12.412 1.00 94.86 N
+ATOM 611 CA VAL B 78 -27.761 -0.642 13.619 1.00 94.86 C
+ATOM 612 C VAL B 78 -29.038 0.194 13.657 1.00 94.86 C
+ATOM 613 CB VAL B 78 -26.521 0.276 13.699 1.00 94.86 C
+ATOM 614 O VAL B 78 -29.632 0.384 14.721 1.00 94.86 O
+ATOM 615 CG1 VAL B 78 -26.690 1.316 14.805 1.00 94.86 C
+ATOM 616 CG2 VAL B 78 -25.259 -0.553 13.930 1.00 94.86 C
+ATOM 617 N GLN B 79 -29.521 0.579 12.549 1.00 92.95 N
+ATOM 618 CA GLN B 79 -30.739 1.377 12.460 1.00 92.95 C
+ATOM 619 C GLN B 79 -31.977 0.523 12.720 1.00 92.95 C
+ATOM 620 CB GLN B 79 -30.843 2.047 11.089 1.00 92.95 C
+ATOM 621 O GLN B 79 -32.928 0.978 13.359 1.00 92.95 O
+ATOM 622 CG GLN B 79 -29.879 3.210 10.898 1.00 92.95 C
+ATOM 623 CD GLN B 79 -29.997 3.852 9.529 1.00 92.95 C
+ATOM 624 NE2 GLN B 79 -29.304 4.970 9.336 1.00 92.95 N
+ATOM 625 OE1 GLN B 79 -30.704 3.347 8.651 1.00 92.95 O
+ATOM 626 N LYS B 80 -31.870 -0.718 12.295 1.00 92.43 N
+ATOM 627 CA LYS B 80 -32.994 -1.629 12.493 1.00 92.43 C
+ATOM 628 C LYS B 80 -33.032 -2.152 13.926 1.00 92.43 C
+ATOM 629 CB LYS B 80 -32.916 -2.799 11.511 1.00 92.43 C
+ATOM 630 O LYS B 80 -34.105 -2.443 14.458 1.00 92.43 O
+ATOM 631 CG LYS B 80 -33.272 -2.429 10.078 1.00 92.43 C
+ATOM 632 CD LYS B 80 -33.295 -3.655 9.174 1.00 92.43 C
+ATOM 633 CE LYS B 80 -33.684 -3.291 7.747 1.00 92.43 C
+ATOM 634 NZ LYS B 80 -33.672 -4.483 6.848 1.00 92.43 N
+ATOM 635 N GLY B 81 -31.917 -2.452 14.482 1.00 81.84 N
+ATOM 636 CA GLY B 81 -31.835 -2.932 15.852 1.00 81.84 C
+ATOM 637 C GLY B 81 -32.159 -1.864 16.880 1.00 81.84 C
+ATOM 638 O GLY B 81 -32.549 -2.176 18.006 1.00 81.84 O
+ATOM 639 N GLY B 82 -32.065 -0.672 16.674 1.00 76.22 N
+ATOM 640 CA GLY B 82 -32.418 0.444 17.536 1.00 76.22 C
+ATOM 641 C GLY B 82 -33.880 0.838 17.435 1.00 76.22 C
+ATOM 642 O GLY B 82 -34.371 1.633 18.238 1.00 76.22 O
+ATOM 643 N GLN B 83 -34.662 0.199 16.583 1.00 60.35 N
+ATOM 644 CA GLN B 83 -36.117 0.302 16.553 1.00 60.35 C
+ATOM 645 C GLN B 83 -36.769 -0.906 17.219 1.00 60.35 C
+ATOM 646 CB GLN B 83 -36.616 0.440 15.114 1.00 60.35 C
+ATOM 647 O GLN B 83 -37.805 -0.777 17.874 1.00 60.35 O
+ATOM 648 CG GLN B 83 -36.419 1.831 14.526 1.00 60.35 C
+ATOM 649 CD GLN B 83 -36.958 1.952 13.112 1.00 60.35 C
+ATOM 650 NE2 GLN B 83 -36.346 2.824 12.318 1.00 60.35 N
+ATOM 651 OE1 GLN B 83 -37.915 1.267 12.738 1.00 60.35 O
+TER 652 GLN B 83
+ATOM 653 N MET C 1 50.040 32.393 35.390 1.00 28.57 N
+ATOM 654 CA MET C 1 49.521 31.790 36.614 1.00 28.57 C
+ATOM 655 C MET C 1 48.376 32.619 37.186 1.00 28.57 C
+ATOM 656 CB MET C 1 50.632 31.645 37.655 1.00 28.57 C
+ATOM 657 O MET C 1 47.433 32.071 37.759 1.00 28.57 O
+ATOM 658 CG MET C 1 50.733 30.251 38.253 1.00 28.57 C
+ATOM 659 SD MET C 1 52.198 30.058 39.341 1.00 28.57 S
+ATOM 660 CE MET C 1 51.684 28.617 40.317 1.00 28.57 C
+ATOM 661 N GLU C 2 48.540 33.870 37.053 1.00 35.42 N
+ATOM 662 CA GLU C 2 47.501 34.894 37.106 1.00 35.42 C
+ATOM 663 C GLU C 2 46.554 34.783 35.915 1.00 35.42 C
+ATOM 664 CB GLU C 2 48.124 36.291 37.154 1.00 35.42 C
+ATOM 665 O GLU C 2 45.932 35.769 35.515 1.00 35.42 O
+ATOM 666 CG GLU C 2 47.783 37.074 38.414 1.00 35.42 C
+ATOM 667 CD GLU C 2 48.552 38.380 38.535 1.00 35.42 C
+ATOM 668 OE1 GLU C 2 47.992 39.448 38.199 1.00 35.42 O
+ATOM 669 OE2 GLU C 2 49.725 38.335 38.969 1.00 35.42 O
+ATOM 670 N GLY C 3 46.387 33.521 35.322 1.00 37.54 N
+ATOM 671 CA GLY C 3 45.732 33.310 34.041 1.00 37.54 C
+ATOM 672 C GLY C 3 44.283 33.761 34.030 1.00 37.54 C
+ATOM 673 O GLY C 3 43.519 33.433 34.939 1.00 37.54 O
+ATOM 674 N GLY C 4 44.029 34.997 33.563 1.00 40.33 N
+ATOM 675 CA GLY C 4 42.765 35.682 33.349 1.00 40.33 C
+ATOM 676 C GLY C 4 41.770 34.863 32.548 1.00 40.33 C
+ATOM 677 O GLY C 4 41.979 34.613 31.359 1.00 40.33 O
+ATOM 678 N PHE C 5 41.158 33.722 33.132 1.00 44.33 N
+ATOM 679 CA PHE C 5 40.188 32.898 32.420 1.00 44.33 C
+ATOM 680 C PHE C 5 38.948 33.709 32.063 1.00 44.33 C
+ATOM 681 CB PHE C 5 39.794 31.681 33.262 1.00 44.33 C
+ATOM 682 O PHE C 5 38.163 34.073 32.941 1.00 44.33 O
+ATOM 683 CG PHE C 5 40.771 30.539 33.173 1.00 44.33 C
+ATOM 684 CD1 PHE C 5 40.695 29.622 32.132 1.00 44.33 C
+ATOM 685 CD2 PHE C 5 41.764 30.384 34.130 1.00 44.33 C
+ATOM 686 CE1 PHE C 5 41.598 28.564 32.047 1.00 44.33 C
+ATOM 687 CE2 PHE C 5 42.670 29.329 34.052 1.00 44.33 C
+ATOM 688 CZ PHE C 5 42.584 28.420 33.010 1.00 44.33 C
+ATOM 689 N GLY C 6 39.115 34.885 31.302 1.00 39.78 N
+ATOM 690 CA GLY C 6 37.972 35.638 30.811 1.00 39.78 C
+ATOM 691 C GLY C 6 36.925 34.766 30.144 1.00 39.78 C
+ATOM 692 O GLY C 6 37.233 34.022 29.210 1.00 39.78 O
+ATOM 693 N SER C 7 36.008 34.157 30.944 1.00 40.86 N
+ATOM 694 CA SER C 7 34.895 33.296 30.557 1.00 40.86 C
+ATOM 695 C SER C 7 33.972 33.998 29.566 1.00 40.86 C
+ATOM 696 CB SER C 7 34.099 32.863 31.788 1.00 40.86 C
+ATOM 697 O SER C 7 33.419 35.058 29.868 1.00 40.86 O
+ATOM 698 OG SER C 7 33.841 33.969 32.636 1.00 40.86 O
+ATOM 699 N ASP C 8 34.459 34.293 28.316 1.00 41.26 N
+ATOM 700 CA ASP C 8 33.621 34.839 27.254 1.00 41.26 C
+ATOM 701 C ASP C 8 32.408 33.948 26.998 1.00 41.26 C
+ATOM 702 CB ASP C 8 34.429 35.010 25.966 1.00 41.26 C
+ATOM 703 O ASP C 8 32.456 33.053 26.151 1.00 41.26 O
+ATOM 704 CG ASP C 8 34.901 36.437 25.746 1.00 41.26 C
+ATOM 705 OD1 ASP C 8 34.121 37.382 25.995 1.00 41.26 O
+ATOM 706 OD2 ASP C 8 36.062 36.618 25.319 1.00 41.26 O
+ATOM 707 N PHE C 9 31.814 33.359 28.090 1.00 41.45 N
+ATOM 708 CA PHE C 9 30.687 32.472 27.827 1.00 41.45 C
+ATOM 709 C PHE C 9 29.551 33.228 27.147 1.00 41.45 C
+ATOM 710 CB PHE C 9 30.188 31.833 29.127 1.00 41.45 C
+ATOM 711 O PHE C 9 28.449 32.697 26.994 1.00 41.45 O
+ATOM 712 CG PHE C 9 30.728 30.450 29.369 1.00 41.45 C
+ATOM 713 CD1 PHE C 9 30.101 29.338 28.820 1.00 41.45 C
+ATOM 714 CD2 PHE C 9 31.864 30.261 30.146 1.00 41.45 C
+ATOM 715 CE1 PHE C 9 30.598 28.056 29.043 1.00 41.45 C
+ATOM 716 CE2 PHE C 9 32.367 28.983 30.373 1.00 41.45 C
+ATOM 717 CZ PHE C 9 31.732 27.882 29.821 1.00 41.45 C
+ATOM 718 N GLY C 10 29.661 34.634 27.025 1.00 36.36 N
+ATOM 719 CA GLY C 10 28.377 35.295 26.852 1.00 36.36 C
+ATOM 720 C GLY C 10 27.659 34.880 25.582 1.00 36.36 C
+ATOM 721 O GLY C 10 26.644 35.475 25.214 1.00 36.36 O
+ATOM 722 N GLY C 11 28.351 34.408 24.528 1.00 39.73 N
+ATOM 723 CA GLY C 11 27.545 34.249 23.328 1.00 39.73 C
+ATOM 724 C GLY C 11 26.366 33.315 23.520 1.00 39.73 C
+ATOM 725 O GLY C 11 26.546 32.129 23.806 1.00 39.73 O
+ATOM 726 N SER C 12 25.401 33.576 24.408 1.00 40.23 N
+ATOM 727 CA SER C 12 24.090 32.936 24.457 1.00 40.23 C
+ATOM 728 C SER C 12 23.507 32.761 23.059 1.00 40.23 C
+ATOM 729 CB SER C 12 23.128 33.750 25.323 1.00 40.23 C
+ATOM 730 O SER C 12 23.195 33.745 22.384 1.00 40.23 O
+ATOM 731 OG SER C 12 23.152 35.118 24.951 1.00 40.23 O
+ATOM 732 N GLY C 13 24.093 32.117 22.122 1.00 39.14 N
+ATOM 733 CA GLY C 13 23.386 31.671 20.933 1.00 39.14 C
+ATOM 734 C GLY C 13 21.961 31.232 21.215 1.00 39.14 C
+ATOM 735 O GLY C 13 21.714 30.481 22.161 1.00 39.14 O
+ATOM 736 N SER C 14 20.927 32.074 21.222 1.00 42.15 N
+ATOM 737 CA SER C 14 19.519 31.719 21.075 1.00 42.15 C
+ATOM 738 C SER C 14 19.345 30.517 20.154 1.00 42.15 C
+ATOM 739 CB SER C 14 18.720 32.906 20.534 1.00 42.15 C
+ATOM 740 O SER C 14 19.736 30.561 18.986 1.00 42.15 O
+ATOM 741 OG SER C 14 17.343 32.587 20.445 1.00 42.15 O
+ATOM 742 N GLY C 15 19.570 29.442 20.510 1.00 44.56 N
+ATOM 743 CA GLY C 15 19.140 28.238 19.818 1.00 44.56 C
+ATOM 744 C GLY C 15 17.753 28.359 19.215 1.00 44.56 C
+ATOM 745 O GLY C 15 16.752 28.153 19.903 1.00 44.56 O
+ATOM 746 N LYS C 16 17.369 29.482 18.564 1.00 51.09 N
+ATOM 747 CA LYS C 16 16.088 29.469 17.863 1.00 51.09 C
+ATOM 748 C LYS C 16 15.926 28.196 17.038 1.00 51.09 C
+ATOM 749 CB LYS C 16 15.956 30.698 16.963 1.00 51.09 C
+ATOM 750 O LYS C 16 16.774 27.881 16.200 1.00 51.09 O
+ATOM 751 CG LYS C 16 15.163 31.838 17.584 1.00 51.09 C
+ATOM 752 CD LYS C 16 15.033 33.016 16.626 1.00 51.09 C
+ATOM 753 CE LYS C 16 13.606 33.544 16.578 1.00 51.09 C
+ATOM 754 NZ LYS C 16 13.543 35.000 16.904 1.00 51.09 N
+ATOM 755 N LEU C 17 15.546 27.116 17.604 1.00 57.77 N
+ATOM 756 CA LEU C 17 15.103 25.987 16.792 1.00 57.77 C
+ATOM 757 C LEU C 17 14.422 26.470 15.516 1.00 57.77 C
+ATOM 758 CB LEU C 17 14.147 25.096 17.589 1.00 57.77 C
+ATOM 759 O LEU C 17 13.444 27.219 15.574 1.00 57.77 O
+ATOM 760 CG LEU C 17 14.750 24.351 18.781 1.00 57.77 C
+ATOM 761 CD1 LEU C 17 13.652 23.667 19.589 1.00 57.77 C
+ATOM 762 CD2 LEU C 17 15.786 23.336 18.311 1.00 57.77 C
+ATOM 763 N ASP C 18 15.245 26.734 14.491 1.00 71.20 N
+ATOM 764 CA ASP C 18 14.716 27.078 13.175 1.00 71.20 C
+ATOM 765 C ASP C 18 13.625 26.098 12.749 1.00 71.20 C
+ATOM 766 CB ASP C 18 15.837 27.102 12.135 1.00 71.20 C
+ATOM 767 O ASP C 18 13.903 24.925 12.492 1.00 71.20 O
+ATOM 768 CG ASP C 18 15.461 27.860 10.874 1.00 71.20 C
+ATOM 769 OD1 ASP C 18 14.253 28.028 10.601 1.00 71.20 O
+ATOM 770 OD2 ASP C 18 16.381 28.291 10.146 1.00 71.20 O
+ATOM 771 N PRO C 19 12.374 26.513 12.971 1.00 72.53 N
+ATOM 772 CA PRO C 19 11.250 25.667 12.562 1.00 72.53 C
+ATOM 773 C PRO C 19 11.486 24.982 11.217 1.00 72.53 C
+ATOM 774 CB PRO C 19 10.081 26.651 12.476 1.00 72.53 C
+ATOM 775 O PRO C 19 11.061 23.842 11.018 1.00 72.53 O
+ATOM 776 CG PRO C 19 10.504 27.821 13.305 1.00 72.53 C
+ATOM 777 CD PRO C 19 12.005 27.856 13.349 1.00 72.53 C
+ATOM 778 N GLY C 20 12.177 25.666 10.327 1.00 73.42 N
+ATOM 779 CA GLY C 20 12.487 25.091 9.028 1.00 73.42 C
+ATOM 780 C GLY C 20 13.450 23.922 9.107 1.00 73.42 C
+ATOM 781 O GLY C 20 13.263 22.910 8.428 1.00 73.42 O
+ATOM 782 N LEU C 21 14.481 24.103 9.955 1.00 80.45 N
+ATOM 783 CA LEU C 21 15.462 23.039 10.134 1.00 80.45 C
+ATOM 784 C LEU C 21 14.846 21.847 10.859 1.00 80.45 C
+ATOM 785 CB LEU C 21 16.675 23.554 10.914 1.00 80.45 C
+ATOM 786 O LEU C 21 15.123 20.696 10.517 1.00 80.45 O
+ATOM 787 CG LEU C 21 18.017 22.893 10.594 1.00 80.45 C
+ATOM 788 CD1 LEU C 21 18.915 23.859 9.829 1.00 80.45 C
+ATOM 789 CD2 LEU C 21 18.699 22.421 11.874 1.00 80.45 C
+ATOM 790 N ILE C 22 14.085 22.148 11.819 1.00 78.02 N
+ATOM 791 CA ILE C 22 13.408 21.096 12.570 1.00 78.02 C
+ATOM 792 C ILE C 22 12.483 20.312 11.643 1.00 78.02 C
+ATOM 793 CB ILE C 22 12.609 21.676 13.759 1.00 78.02 C
+ATOM 794 O ILE C 22 12.476 19.079 11.661 1.00 78.02 O
+ATOM 795 CG1 ILE C 22 13.560 22.295 14.791 1.00 78.02 C
+ATOM 796 CG2 ILE C 22 11.734 20.595 14.400 1.00 78.02 C
+ATOM 797 CD1 ILE C 22 12.854 23.047 15.910 1.00 78.02 C
+ATOM 798 N MET C 23 11.716 21.023 10.846 1.00 80.76 N
+ATOM 799 CA MET C 23 10.804 20.378 9.906 1.00 80.76 C
+ATOM 800 C MET C 23 11.570 19.511 8.912 1.00 80.76 C
+ATOM 801 CB MET C 23 9.975 21.423 9.157 1.00 80.76 C
+ATOM 802 O MET C 23 11.136 18.407 8.581 1.00 80.76 O
+ATOM 803 CG MET C 23 8.929 20.827 8.229 1.00 80.76 C
+ATOM 804 SD MET C 23 7.712 19.782 9.121 1.00 80.76 S
+ATOM 805 CE MET C 23 6.634 21.068 9.813 1.00 80.76 C
+ATOM 806 N GLU C 24 12.674 20.009 8.463 1.00 84.62 N
+ATOM 807 CA GLU C 24 13.499 19.243 7.534 1.00 84.62 C
+ATOM 808 C GLU C 24 13.990 17.947 8.172 1.00 84.62 C
+ATOM 809 CB GLU C 24 14.690 20.079 7.057 1.00 84.62 C
+ATOM 810 O GLU C 24 13.995 16.895 7.529 1.00 84.62 O
+ATOM 811 CG GLU C 24 15.523 19.403 5.978 1.00 84.62 C
+ATOM 812 CD GLU C 24 14.770 19.212 4.671 1.00 84.62 C
+ATOM 813 OE1 GLU C 24 15.301 18.539 3.758 1.00 84.62 O
+ATOM 814 OE2 GLU C 24 13.641 19.740 4.559 1.00 84.62 O
+ATOM 815 N GLN C 25 14.369 18.024 9.378 1.00 86.92 N
+ATOM 816 CA GLN C 25 14.822 16.840 10.099 1.00 86.92 C
+ATOM 817 C GLN C 25 13.684 15.839 10.282 1.00 86.92 C
+ATOM 818 CB GLN C 25 15.402 17.228 11.460 1.00 86.92 C
+ATOM 819 O GLN C 25 13.888 14.630 10.151 1.00 86.92 O
+ATOM 820 CG GLN C 25 16.781 17.871 11.380 1.00 86.92 C
+ATOM 821 CD GLN C 25 17.325 18.264 12.740 1.00 86.92 C
+ATOM 822 NE2 GLN C 25 18.622 18.059 12.942 1.00 86.92 N
+ATOM 823 OE1 GLN C 25 16.586 18.750 13.602 1.00 86.92 O
+ATOM 824 N VAL C 26 12.559 16.349 10.532 1.00 84.86 N
+ATOM 825 CA VAL C 26 11.388 15.497 10.706 1.00 84.86 C
+ATOM 826 C VAL C 26 11.049 14.806 9.387 1.00 84.86 C
+ATOM 827 CB VAL C 26 10.170 16.302 11.214 1.00 84.86 C
+ATOM 828 O VAL C 26 10.766 13.606 9.362 1.00 84.86 O
+ATOM 829 CG1 VAL C 26 8.905 15.446 11.182 1.00 84.86 C
+ATOM 830 CG2 VAL C 26 10.429 16.826 12.626 1.00 84.86 C
+ATOM 831 N LYS C 27 11.145 15.529 8.316 1.00 85.84 N
+ATOM 832 CA LYS C 27 10.865 14.977 6.994 1.00 85.84 C
+ATOM 833 C LYS C 27 11.833 13.848 6.653 1.00 85.84 C
+ATOM 834 CB LYS C 27 10.940 16.072 5.928 1.00 85.84 C
+ATOM 835 O LYS C 27 11.427 12.818 6.110 1.00 85.84 O
+ATOM 836 CG LYS C 27 9.737 17.002 5.910 1.00 85.84 C
+ATOM 837 CD LYS C 27 9.827 18.011 4.773 1.00 85.84 C
+ATOM 838 CE LYS C 27 8.589 18.896 4.709 1.00 85.84 C
+ATOM 839 NZ LYS C 27 8.693 19.916 3.623 1.00 85.84 N
+ATOM 840 N VAL C 28 13.111 14.078 6.993 1.00 90.49 N
+ATOM 841 CA VAL C 28 14.119 13.063 6.706 1.00 90.49 C
+ATOM 842 C VAL C 28 13.843 11.811 7.536 1.00 90.49 C
+ATOM 843 CB VAL C 28 15.546 13.585 6.988 1.00 90.49 C
+ATOM 844 O VAL C 28 13.925 10.691 7.026 1.00 90.49 O
+ATOM 845 CG1 VAL C 28 16.560 12.444 6.928 1.00 90.49 C
+ATOM 846 CG2 VAL C 28 15.917 14.686 5.996 1.00 90.49 C
+ATOM 847 N GLN C 29 13.485 12.012 8.747 1.00 91.26 N
+ATOM 848 CA GLN C 29 13.200 10.876 9.618 1.00 91.26 C
+ATOM 849 C GLN C 29 11.970 10.110 9.137 1.00 91.26 C
+ATOM 850 CB GLN C 29 12.998 11.342 11.060 1.00 91.26 C
+ATOM 851 O GLN C 29 11.929 8.880 9.215 1.00 91.26 O
+ATOM 852 CG GLN C 29 14.281 11.787 11.748 1.00 91.26 C
+ATOM 853 CD GLN C 29 15.276 10.655 11.925 1.00 91.26 C
+ATOM 854 NE2 GLN C 29 16.562 10.986 11.898 1.00 91.26 N
+ATOM 855 OE1 GLN C 29 14.891 9.492 12.086 1.00 91.26 O
+ATOM 856 N ILE C 30 11.000 10.830 8.612 1.00 89.28 N
+ATOM 857 CA ILE C 30 9.798 10.201 8.074 1.00 89.28 C
+ATOM 858 C ILE C 30 10.149 9.403 6.821 1.00 89.28 C
+ATOM 859 CB ILE C 30 8.707 11.248 7.755 1.00 89.28 C
+ATOM 860 O ILE C 30 9.700 8.266 6.655 1.00 89.28 O
+ATOM 861 CG1 ILE C 30 8.156 11.857 9.049 1.00 89.28 C
+ATOM 862 CG2 ILE C 30 7.584 10.621 6.923 1.00 89.28 C
+ATOM 863 CD1 ILE C 30 7.212 13.031 8.828 1.00 89.28 C
+ATOM 864 N ALA C 31 10.996 9.974 6.005 1.00 90.49 N
+ATOM 865 CA ALA C 31 11.416 9.303 4.778 1.00 90.49 C
+ATOM 866 C ALA C 31 12.174 8.015 5.089 1.00 90.49 C
+ATOM 867 CB ALA C 31 12.281 10.233 3.931 1.00 90.49 C
+ATOM 868 O ALA C 31 11.965 6.991 4.435 1.00 90.49 O
+ATOM 869 N VAL C 32 13.053 8.132 6.067 1.00 93.81 N
+ATOM 870 CA VAL C 32 13.836 6.956 6.431 1.00 93.81 C
+ATOM 871 C VAL C 32 12.913 5.870 6.979 1.00 93.81 C
+ATOM 872 CB VAL C 32 14.929 7.300 7.468 1.00 93.81 C
+ATOM 873 O VAL C 32 13.040 4.698 6.617 1.00 93.81 O
+ATOM 874 CG1 VAL C 32 15.546 6.027 8.045 1.00 93.81 C
+ATOM 875 CG2 VAL C 32 16.005 8.181 6.836 1.00 93.81 C
+ATOM 876 N ALA C 33 12.033 6.178 7.799 1.00 92.72 N
+ATOM 877 CA ALA C 33 11.080 5.224 8.361 1.00 92.72 C
+ATOM 878 C ALA C 33 10.213 4.607 7.267 1.00 92.72 C
+ATOM 879 CB ALA C 33 10.204 5.903 9.411 1.00 92.72 C
+ATOM 880 O ALA C 33 9.937 3.405 7.289 1.00 92.72 O
+ATOM 881 N ASN C 34 9.758 5.404 6.350 1.00 91.96 N
+ATOM 882 CA ASN C 34 8.950 4.920 5.236 1.00 91.96 C
+ATOM 883 C ASN C 34 9.726 3.935 4.367 1.00 91.96 C
+ATOM 884 CB ASN C 34 8.445 6.091 4.391 1.00 91.96 C
+ATOM 885 O ASN C 34 9.186 2.907 3.954 1.00 91.96 O
+ATOM 886 CG ASN C 34 7.293 6.829 5.043 1.00 91.96 C
+ATOM 887 ND2 ASN C 34 7.060 8.064 4.614 1.00 91.96 N
+ATOM 888 OD1 ASN C 34 6.617 6.294 5.926 1.00 91.96 O
+ATOM 889 N ALA C 35 10.989 4.299 4.154 1.00 93.58 N
+ATOM 890 CA ALA C 35 11.838 3.418 3.355 1.00 93.58 C
+ATOM 891 C ALA C 35 12.041 2.075 4.050 1.00 93.58 C
+ATOM 892 CB ALA C 35 13.185 4.082 3.083 1.00 93.58 C
+ATOM 893 O ALA C 35 12.026 1.025 3.402 1.00 93.58 O
+ATOM 894 N GLN C 36 12.274 2.113 5.321 1.00 96.35 N
+ATOM 895 CA GLN C 36 12.469 0.885 6.083 1.00 96.35 C
+ATOM 896 C GLN C 36 11.237 -0.012 6.007 1.00 96.35 C
+ATOM 897 CB GLN C 36 12.796 1.205 7.543 1.00 96.35 C
+ATOM 898 O GLN C 36 11.356 -1.227 5.831 1.00 96.35 O
+ATOM 899 CG GLN C 36 14.197 1.763 7.751 1.00 96.35 C
+ATOM 900 CD GLN C 36 14.464 2.157 9.191 1.00 96.35 C
+ATOM 901 NE2 GLN C 36 15.738 2.307 9.539 1.00 96.35 N
+ATOM 902 OE1 GLN C 36 13.533 2.326 9.985 1.00 96.35 O
+ATOM 903 N GLU C 37 10.096 0.611 6.123 1.00 95.41 N
+ATOM 904 CA GLU C 37 8.849 -0.142 6.038 1.00 95.41 C
+ATOM 905 C GLU C 37 8.665 -0.749 4.650 1.00 95.41 C
+ATOM 906 CB GLU C 37 7.656 0.753 6.382 1.00 95.41 C
+ATOM 907 O GLU C 37 8.286 -1.915 4.522 1.00 95.41 O
+ATOM 908 CG GLU C 37 6.319 0.026 6.377 1.00 95.41 C
+ATOM 909 CD GLU C 37 5.165 0.886 6.865 1.00 95.41 C
+ATOM 910 OE1 GLU C 37 4.036 0.365 7.005 1.00 95.41 O
+ATOM 911 OE2 GLU C 37 5.392 2.093 7.109 1.00 95.41 O
+ATOM 912 N LEU C 38 8.955 -0.006 3.696 1.00 95.78 N
+ATOM 913 CA LEU C 38 8.850 -0.488 2.323 1.00 95.78 C
+ATOM 914 C LEU C 38 9.783 -1.672 2.089 1.00 95.78 C
+ATOM 915 CB LEU C 38 9.173 0.635 1.334 1.00 95.78 C
+ATOM 916 O LEU C 38 9.371 -2.692 1.534 1.00 95.78 O
+ATOM 917 CG LEU C 38 9.132 0.265 -0.149 1.00 95.78 C
+ATOM 918 CD1 LEU C 38 7.721 -0.150 -0.553 1.00 95.78 C
+ATOM 919 CD2 LEU C 38 9.617 1.430 -1.005 1.00 95.78 C
+ATOM 920 N LEU C 39 10.981 -1.530 2.562 1.00 97.33 N
+ATOM 921 CA LEU C 39 11.963 -2.594 2.387 1.00 97.33 C
+ATOM 922 C LEU C 39 11.521 -3.866 3.103 1.00 97.33 C
+ATOM 923 CB LEU C 39 13.333 -2.151 2.907 1.00 97.33 C
+ATOM 924 O LEU C 39 11.681 -4.969 2.575 1.00 97.33 O
+ATOM 925 CG LEU C 39 14.116 -1.184 2.018 1.00 97.33 C
+ATOM 926 CD1 LEU C 39 15.373 -0.704 2.735 1.00 97.33 C
+ATOM 927 CD2 LEU C 39 14.471 -1.846 0.691 1.00 97.33 C
+ATOM 928 N GLN C 40 11.038 -3.734 4.226 1.00 97.68 N
+ATOM 929 CA GLN C 40 10.576 -4.882 4.999 1.00 97.68 C
+ATOM 930 C GLN C 40 9.427 -5.595 4.291 1.00 97.68 C
+ATOM 931 CB GLN C 40 10.141 -4.448 6.399 1.00 97.68 C
+ATOM 932 O GLN C 40 9.422 -6.824 4.187 1.00 97.68 O
+ATOM 933 CG GLN C 40 9.780 -5.608 7.318 1.00 97.68 C
+ATOM 934 CD GLN C 40 9.503 -5.164 8.742 1.00 97.68 C
+ATOM 935 NE2 GLN C 40 8.975 -6.073 9.555 1.00 97.68 N
+ATOM 936 OE1 GLN C 40 9.761 -4.013 9.109 1.00 97.68 O
+ATOM 937 N ARG C 41 8.515 -4.831 3.805 1.00 97.38 N
+ATOM 938 CA ARG C 41 7.371 -5.412 3.110 1.00 97.38 C
+ATOM 939 C ARG C 41 7.804 -6.091 1.815 1.00 97.38 C
+ATOM 940 CB ARG C 41 6.320 -4.340 2.814 1.00 97.38 C
+ATOM 941 O ARG C 41 7.356 -7.198 1.508 1.00 97.38 O
+ATOM 942 CG ARG C 41 5.643 -3.781 4.055 1.00 97.38 C
+ATOM 943 CD ARG C 41 4.383 -3.001 3.708 1.00 97.38 C
+ATOM 944 NE ARG C 41 3.671 -2.565 4.906 1.00 97.38 N
+ATOM 945 NH1 ARG C 41 1.697 -3.641 4.375 1.00 97.38 N
+ATOM 946 NH2 ARG C 41 1.861 -2.429 6.313 1.00 97.38 N
+ATOM 947 CZ ARG C 41 2.411 -2.879 5.195 1.00 97.38 C
+ATOM 948 N MET C 42 8.662 -5.454 1.114 1.00 97.42 N
+ATOM 949 CA MET C 42 9.176 -6.029 -0.125 1.00 97.42 C
+ATOM 950 C MET C 42 9.938 -7.321 0.149 1.00 97.42 C
+ATOM 951 CB MET C 42 10.082 -5.031 -0.847 1.00 97.42 C
+ATOM 952 O MET C 42 9.798 -8.299 -0.588 1.00 97.42 O
+ATOM 953 CG MET C 42 10.498 -5.476 -2.240 1.00 97.42 C
+ATOM 954 SD MET C 42 11.343 -4.146 -3.180 1.00 97.42 S
+ATOM 955 CE MET C 42 12.698 -3.758 -2.038 1.00 97.42 C
+ATOM 956 N THR C 43 10.667 -7.258 1.216 1.00 97.96 N
+ATOM 957 CA THR C 43 11.435 -8.437 1.600 1.00 97.96 C
+ATOM 958 C THR C 43 10.509 -9.616 1.886 1.00 97.96 C
+ATOM 959 CB THR C 43 12.308 -8.156 2.837 1.00 97.96 C
+ATOM 960 O THR C 43 10.755 -10.731 1.422 1.00 97.96 O
+ATOM 961 CG2 THR C 43 13.036 -9.416 3.294 1.00 97.96 C
+ATOM 962 OG1 THR C 43 13.276 -7.150 2.512 1.00 97.96 O
+ATOM 963 N ASP C 44 9.465 -9.382 2.615 1.00 97.57 N
+ATOM 964 CA ASP C 44 8.508 -10.430 2.956 1.00 97.57 C
+ATOM 965 C ASP C 44 7.891 -11.042 1.701 1.00 97.57 C
+ATOM 966 CB ASP C 44 7.409 -9.878 3.867 1.00 97.57 C
+ATOM 967 O ASP C 44 7.831 -12.266 1.565 1.00 97.57 O
+ATOM 968 CG ASP C 44 7.873 -9.671 5.298 1.00 97.57 C
+ATOM 969 OD1 ASP C 44 8.916 -10.238 5.689 1.00 97.57 O
+ATOM 970 OD2 ASP C 44 7.187 -8.938 6.042 1.00 97.57 O
+ATOM 971 N LYS C 45 7.581 -10.262 0.801 1.00 97.67 N
+ATOM 972 CA LYS C 45 6.913 -10.720 -0.414 1.00 97.67 C
+ATOM 973 C LYS C 45 7.882 -11.468 -1.325 1.00 97.67 C
+ATOM 974 CB LYS C 45 6.295 -9.539 -1.164 1.00 97.67 C
+ATOM 975 O LYS C 45 7.555 -12.538 -1.843 1.00 97.67 O
+ATOM 976 CG LYS C 45 5.219 -8.802 -0.380 1.00 97.67 C
+ATOM 977 CD LYS C 45 4.017 -9.696 -0.104 1.00 97.67 C
+ATOM 978 CE LYS C 45 2.939 -8.958 0.678 1.00 97.67 C
+ATOM 979 NZ LYS C 45 1.870 -9.885 1.156 1.00 97.67 N
+ATOM 980 N CYS C 46 9.013 -10.918 -1.420 1.00 98.15 N
+ATOM 981 CA CYS C 46 9.990 -11.544 -2.304 1.00 98.15 C
+ATOM 982 C CYS C 46 10.506 -12.849 -1.711 1.00 98.15 C
+ATOM 983 CB CYS C 46 11.159 -10.596 -2.569 1.00 98.15 C
+ATOM 984 O CYS C 46 10.783 -13.802 -2.441 1.00 98.15 O
+ATOM 985 SG CYS C 46 10.721 -9.166 -3.582 1.00 98.15 S
+ATOM 986 N PHE C 47 10.587 -12.866 -0.413 1.00 97.41 N
+ATOM 987 CA PHE C 47 11.002 -14.099 0.246 1.00 97.41 C
+ATOM 988 C PHE C 47 10.020 -15.227 -0.047 1.00 97.41 C
+ATOM 989 CB PHE C 47 11.124 -13.888 1.758 1.00 97.41 C
+ATOM 990 O PHE C 47 10.428 -16.345 -0.369 1.00 97.41 O
+ATOM 991 CG PHE C 47 11.621 -15.097 2.502 1.00 97.41 C
+ATOM 992 CD1 PHE C 47 10.732 -15.948 3.148 1.00 97.41 C
+ATOM 993 CD2 PHE C 47 12.979 -15.384 2.557 1.00 97.41 C
+ATOM 994 CE1 PHE C 47 11.190 -17.068 3.837 1.00 97.41 C
+ATOM 995 CE2 PHE C 47 13.444 -16.501 3.244 1.00 97.41 C
+ATOM 996 CZ PHE C 47 12.548 -17.342 3.884 1.00 97.41 C
+ATOM 997 N ARG C 48 8.776 -14.933 -0.075 1.00 95.86 N
+ATOM 998 CA ARG C 48 7.731 -15.931 -0.283 1.00 95.86 C
+ATOM 999 C ARG C 48 7.700 -16.396 -1.734 1.00 95.86 C
+ATOM 1000 CB ARG C 48 6.365 -15.370 0.118 1.00 95.86 C
+ATOM 1001 O ARG C 48 7.471 -17.576 -2.009 1.00 95.86 O
+ATOM 1002 CG ARG C 48 6.178 -15.216 1.619 1.00 95.86 C
+ATOM 1003 CD ARG C 48 4.791 -14.692 1.963 1.00 95.86 C
+ATOM 1004 NE ARG C 48 4.675 -14.366 3.382 1.00 95.86 N
+ATOM 1005 NH1 ARG C 48 2.900 -15.791 3.776 1.00 95.86 N
+ATOM 1006 NH2 ARG C 48 3.763 -14.528 5.483 1.00 95.86 N
+ATOM 1007 CZ ARG C 48 3.780 -14.896 4.211 1.00 95.86 C
+ATOM 1008 N LYS C 49 8.030 -15.511 -2.571 1.00 96.46 N
+ATOM 1009 CA LYS C 49 7.899 -15.826 -3.990 1.00 96.46 C
+ATOM 1010 C LYS C 49 9.168 -16.481 -4.528 1.00 96.46 C
+ATOM 1011 CB LYS C 49 7.579 -14.564 -4.794 1.00 96.46 C
+ATOM 1012 O LYS C 49 9.109 -17.297 -5.449 1.00 96.46 O
+ATOM 1013 CG LYS C 49 6.163 -14.046 -4.595 1.00 96.46 C
+ATOM 1014 CD LYS C 49 5.789 -13.019 -5.656 1.00 96.46 C
+ATOM 1015 CE LYS C 49 4.371 -12.502 -5.460 1.00 96.46 C
+ATOM 1016 NZ LYS C 49 3.354 -13.462 -5.983 1.00 96.46 N
+ATOM 1017 N CYS C 50 10.324 -16.178 -3.931 1.00 97.14 N
+ATOM 1018 CA CYS C 50 11.565 -16.534 -4.610 1.00 97.14 C
+ATOM 1019 C CYS C 50 12.326 -17.602 -3.832 1.00 97.14 C
+ATOM 1020 CB CYS C 50 12.447 -15.301 -4.797 1.00 97.14 C
+ATOM 1021 O CYS C 50 13.181 -18.291 -4.390 1.00 97.14 O
+ATOM 1022 SG CYS C 50 11.731 -14.052 -5.888 1.00 97.14 S
+ATOM 1023 N ILE C 51 11.993 -17.656 -2.527 1.00 97.22 N
+ATOM 1024 CA ILE C 51 12.734 -18.618 -1.718 1.00 97.22 C
+ATOM 1025 C ILE C 51 11.825 -19.787 -1.345 1.00 97.22 C
+ATOM 1026 CB ILE C 51 13.311 -17.961 -0.444 1.00 97.22 C
+ATOM 1027 O ILE C 51 10.973 -19.663 -0.462 1.00 97.22 O
+ATOM 1028 CG1 ILE C 51 14.057 -16.670 -0.801 1.00 97.22 C
+ATOM 1029 CG2 ILE C 51 14.227 -18.936 0.300 1.00 97.22 C
+ATOM 1030 CD1 ILE C 51 15.223 -16.874 -1.759 1.00 97.22 C
+ATOM 1031 N GLY C 52 11.931 -20.934 -2.057 1.00 91.98 N
+ATOM 1032 CA GLY C 52 11.146 -22.121 -1.755 1.00 91.98 C
+ATOM 1033 C GLY C 52 11.600 -22.833 -0.495 1.00 91.98 C
+ATOM 1034 O GLY C 52 10.795 -23.093 0.401 1.00 91.98 O
+ATOM 1035 N LYS C 53 12.783 -23.187 -0.479 1.00 92.74 N
+ATOM 1036 CA LYS C 53 13.430 -23.791 0.682 1.00 92.74 C
+ATOM 1037 C LYS C 53 14.735 -23.074 1.019 1.00 92.74 C
+ATOM 1038 CB LYS C 53 13.697 -25.276 0.436 1.00 92.74 C
+ATOM 1039 O LYS C 53 15.576 -22.860 0.143 1.00 92.74 O
+ATOM 1040 CG LYS C 53 14.101 -26.048 1.683 1.00 92.74 C
+ATOM 1041 CD LYS C 53 14.293 -27.530 1.386 1.00 92.74 C
+ATOM 1042 CE LYS C 53 14.777 -28.289 2.615 1.00 92.74 C
+ATOM 1043 NZ LYS C 53 14.960 -29.744 2.330 1.00 92.74 N
+ATOM 1044 N PRO C 54 14.868 -22.730 2.307 1.00 89.43 N
+ATOM 1045 CA PRO C 54 16.102 -22.026 2.663 1.00 89.43 C
+ATOM 1046 C PRO C 54 17.337 -22.920 2.579 1.00 89.43 C
+ATOM 1047 CB PRO C 54 15.849 -21.577 4.104 1.00 89.43 C
+ATOM 1048 O PRO C 54 17.324 -24.045 3.085 1.00 89.43 O
+ATOM 1049 CG PRO C 54 14.722 -22.436 4.579 1.00 89.43 C
+ATOM 1050 CD PRO C 54 14.004 -22.987 3.381 1.00 89.43 C
+ATOM 1051 N GLY C 55 18.221 -22.674 1.659 1.00 91.02 N
+ATOM 1052 CA GLY C 55 19.477 -23.392 1.513 1.00 91.02 C
+ATOM 1053 C GLY C 55 20.653 -22.672 2.145 1.00 91.02 C
+ATOM 1054 O GLY C 55 20.473 -21.848 3.044 1.00 91.02 O
+ATOM 1055 N GLY C 56 21.818 -23.104 1.732 1.00 91.79 N
+ATOM 1056 CA GLY C 56 23.024 -22.566 2.340 1.00 91.79 C
+ATOM 1057 C GLY C 56 23.420 -21.212 1.784 1.00 91.79 C
+ATOM 1058 O GLY C 56 24.196 -20.482 2.405 1.00 91.79 O
+ATOM 1059 N SER C 57 22.913 -20.905 0.635 1.00 95.36 N
+ATOM 1060 CA SER C 57 23.218 -19.638 -0.021 1.00 95.36 C
+ATOM 1061 C SER C 57 22.146 -19.273 -1.043 1.00 95.36 C
+ATOM 1062 CB SER C 57 24.584 -19.704 -0.705 1.00 95.36 C
+ATOM 1063 O SER C 57 21.298 -20.100 -1.383 1.00 95.36 O
+ATOM 1064 OG SER C 57 24.588 -20.685 -1.728 1.00 95.36 O
+ATOM 1065 N LEU C 58 22.147 -17.993 -1.331 1.00 96.20 N
+ATOM 1066 CA LEU C 58 21.288 -17.529 -2.415 1.00 96.20 C
+ATOM 1067 C LEU C 58 21.859 -17.930 -3.771 1.00 96.20 C
+ATOM 1068 CB LEU C 58 21.117 -16.009 -2.350 1.00 96.20 C
+ATOM 1069 O LEU C 58 22.806 -17.308 -4.259 1.00 96.20 O
+ATOM 1070 CG LEU C 58 19.771 -15.500 -1.832 1.00 96.20 C
+ATOM 1071 CD1 LEU C 58 19.978 -14.571 -0.640 1.00 96.20 C
+ATOM 1072 CD2 LEU C 58 19.005 -14.790 -2.943 1.00 96.20 C
+ATOM 1073 N ASP C 59 21.197 -18.961 -4.415 1.00 95.29 N
+ATOM 1074 CA ASP C 59 21.728 -19.383 -5.708 1.00 95.29 C
+ATOM 1075 C ASP C 59 21.380 -18.375 -6.800 1.00 95.29 C
+ATOM 1076 CB ASP C 59 21.194 -20.768 -6.081 1.00 95.29 C
+ATOM 1077 O ASP C 59 20.739 -17.356 -6.531 1.00 95.29 O
+ATOM 1078 CG ASP C 59 19.693 -20.782 -6.313 1.00 95.29 C
+ATOM 1079 OD1 ASP C 59 19.122 -19.731 -6.673 1.00 95.29 O
+ATOM 1080 OD2 ASP C 59 19.076 -21.854 -6.131 1.00 95.29 O
+ATOM 1081 N ASN C 60 21.880 -18.583 -8.050 1.00 96.52 N
+ATOM 1082 CA ASN C 60 21.725 -17.650 -9.161 1.00 96.52 C
+ATOM 1083 C ASN C 60 20.256 -17.447 -9.522 1.00 96.52 C
+ATOM 1084 CB ASN C 60 22.510 -18.134 -10.382 1.00 96.52 C
+ATOM 1085 O ASN C 60 19.822 -16.320 -9.765 1.00 96.52 O
+ATOM 1086 CG ASN C 60 22.554 -17.104 -11.493 1.00 96.52 C
+ATOM 1087 ND2 ASN C 60 21.935 -17.424 -12.624 1.00 96.52 N
+ATOM 1088 OD1 ASN C 60 23.140 -16.029 -11.338 1.00 96.52 O
+ATOM 1089 N SER C 61 19.509 -18.592 -9.480 1.00 95.40 N
+ATOM 1090 CA SER C 61 18.092 -18.521 -9.820 1.00 95.40 C
+ATOM 1091 C SER C 61 17.322 -17.682 -8.805 1.00 95.40 C
+ATOM 1092 CB SER C 61 17.488 -19.924 -9.897 1.00 95.40 C
+ATOM 1093 O SER C 61 16.474 -16.869 -9.179 1.00 95.40 O
+ATOM 1094 OG SER C 61 16.102 -19.860 -10.187 1.00 95.40 O
+ATOM 1095 N GLU C 62 17.656 -17.805 -7.515 1.00 96.50 N
+ATOM 1096 CA GLU C 62 17.001 -17.040 -6.458 1.00 96.50 C
+ATOM 1097 C GLU C 62 17.381 -15.564 -6.529 1.00 96.50 C
+ATOM 1098 CB GLU C 62 17.358 -17.610 -5.082 1.00 96.50 C
+ATOM 1099 O GLU C 62 16.536 -14.690 -6.324 1.00 96.50 O
+ATOM 1100 CG GLU C 62 16.725 -18.963 -4.794 1.00 96.50 C
+ATOM 1101 CD GLU C 62 17.217 -19.593 -3.501 1.00 96.50 C
+ATOM 1102 OE1 GLU C 62 16.428 -20.293 -2.827 1.00 96.50 O
+ATOM 1103 OE2 GLU C 62 18.402 -19.384 -3.158 1.00 96.50 O
+ATOM 1104 N GLN C 63 18.599 -15.274 -6.840 1.00 97.02 N
+ATOM 1105 CA GLN C 63 19.055 -13.894 -6.967 1.00 97.02 C
+ATOM 1106 C GLN C 63 18.332 -13.178 -8.104 1.00 97.02 C
+ATOM 1107 CB GLN C 63 20.567 -13.846 -7.193 1.00 97.02 C
+ATOM 1108 O GLN C 63 17.917 -12.026 -7.955 1.00 97.02 O
+ATOM 1109 CG GLN C 63 21.385 -14.208 -5.961 1.00 97.02 C
+ATOM 1110 CD GLN C 63 22.881 -14.129 -6.206 1.00 97.02 C
+ATOM 1111 NE2 GLN C 63 23.666 -14.531 -5.212 1.00 97.02 N
+ATOM 1112 OE1 GLN C 63 23.326 -13.711 -7.279 1.00 97.02 O
+ATOM 1113 N LYS C 64 18.209 -13.885 -9.202 1.00 96.89 N
+ATOM 1114 CA LYS C 64 17.498 -13.314 -10.343 1.00 96.89 C
+ATOM 1115 C LYS C 64 16.024 -13.095 -10.018 1.00 96.89 C
+ATOM 1116 CB LYS C 64 17.636 -14.218 -11.568 1.00 96.89 C
+ATOM 1117 O LYS C 64 15.456 -12.053 -10.355 1.00 96.89 O
+ATOM 1118 CG LYS C 64 17.065 -13.620 -12.846 1.00 96.89 C
+ATOM 1119 CD LYS C 64 17.346 -14.507 -14.052 1.00 96.89 C
+ATOM 1120 CE LYS C 64 16.750 -13.924 -15.326 1.00 96.89 C
+ATOM 1121 NZ LYS C 64 17.039 -14.781 -16.515 1.00 96.89 N
+ATOM 1122 N CYS C 65 15.441 -14.105 -9.365 1.00 97.25 N
+ATOM 1123 CA CYS C 65 14.040 -14.005 -8.972 1.00 97.25 C
+ATOM 1124 C CYS C 65 13.816 -12.814 -8.048 1.00 97.25 C
+ATOM 1125 CB CYS C 65 13.583 -15.290 -8.282 1.00 97.25 C
+ATOM 1126 O CYS C 65 12.874 -12.042 -8.239 1.00 97.25 O
+ATOM 1127 SG CYS C 65 11.868 -15.244 -7.718 1.00 97.25 S
+ATOM 1128 N ILE C 66 14.708 -12.555 -7.059 1.00 97.77 N
+ATOM 1129 CA ILE C 66 14.588 -11.479 -6.081 1.00 97.77 C
+ATOM 1130 C ILE C 66 14.717 -10.128 -6.781 1.00 97.77 C
+ATOM 1131 CB ILE C 66 15.649 -11.608 -4.965 1.00 97.77 C
+ATOM 1132 O ILE C 66 13.994 -9.182 -6.458 1.00 97.77 O
+ATOM 1133 CG1 ILE C 66 15.336 -12.811 -4.068 1.00 97.77 C
+ATOM 1134 CG2 ILE C 66 15.729 -10.318 -4.144 1.00 97.77 C
+ATOM 1135 CD1 ILE C 66 16.454 -13.166 -3.096 1.00 97.77 C
+ATOM 1136 N ALA C 67 15.609 -10.096 -7.739 1.00 97.37 N
+ATOM 1137 CA ALA C 67 15.765 -8.863 -8.505 1.00 97.37 C
+ATOM 1138 C ALA C 67 14.487 -8.524 -9.266 1.00 97.37 C
+ATOM 1139 CB ALA C 67 16.940 -8.983 -9.473 1.00 97.37 C
+ATOM 1140 O ALA C 67 14.016 -7.385 -9.225 1.00 97.37 O
+ATOM 1141 N MET C 68 13.936 -9.520 -9.862 1.00 98.07 N
+ATOM 1142 CA MET C 68 12.700 -9.312 -10.612 1.00 98.07 C
+ATOM 1143 C MET C 68 11.537 -9.011 -9.671 1.00 98.07 C
+ATOM 1144 CB MET C 68 12.377 -10.539 -11.467 1.00 98.07 C
+ATOM 1145 O MET C 68 10.679 -8.184 -9.984 1.00 98.07 O
+ATOM 1146 CG MET C 68 13.298 -10.712 -12.664 1.00 98.07 C
+ATOM 1147 SD MET C 68 12.745 -12.051 -13.789 1.00 98.07 S
+ATOM 1148 CE MET C 68 13.036 -13.497 -12.732 1.00 98.07 C
+ATOM 1149 N CYS C 69 11.546 -9.706 -8.570 1.00 98.19 N
+ATOM 1150 CA CYS C 69 10.500 -9.505 -7.574 1.00 98.19 C
+ATOM 1151 C CYS C 69 10.478 -8.059 -7.092 1.00 98.19 C
+ATOM 1152 CB CYS C 69 10.703 -10.445 -6.386 1.00 98.19 C
+ATOM 1153 O CYS C 69 9.417 -7.435 -7.035 1.00 98.19 O
+ATOM 1154 SG CYS C 69 9.450 -10.270 -5.097 1.00 98.19 S
+ATOM 1155 N MET C 70 11.616 -7.495 -6.753 1.00 98.20 N
+ATOM 1156 CA MET C 70 11.723 -6.110 -6.302 1.00 98.20 C
+ATOM 1157 C MET C 70 11.212 -5.149 -7.370 1.00 98.20 C
+ATOM 1158 CB MET C 70 13.171 -5.771 -5.944 1.00 98.20 C
+ATOM 1159 O MET C 70 10.453 -4.226 -7.069 1.00 98.20 O
+ATOM 1160 CG MET C 70 13.369 -4.336 -5.482 1.00 98.20 C
+ATOM 1161 SD MET C 70 15.135 -3.927 -5.196 1.00 98.20 S
+ATOM 1162 CE MET C 70 15.039 -2.115 -5.145 1.00 98.20 C
+ATOM 1163 N ASP C 71 11.591 -5.421 -8.638 1.00 97.97 N
+ATOM 1164 CA ASP C 71 11.160 -4.568 -9.741 1.00 97.97 C
+ATOM 1165 C ASP C 71 9.643 -4.613 -9.910 1.00 97.97 C
+ATOM 1166 CB ASP C 71 11.847 -4.986 -11.043 1.00 97.97 C
+ATOM 1167 O ASP C 71 8.997 -3.572 -10.042 1.00 97.97 O
+ATOM 1168 CG ASP C 71 13.333 -4.673 -11.056 1.00 97.97 C
+ATOM 1169 OD1 ASP C 71 13.790 -3.849 -10.236 1.00 97.97 O
+ATOM 1170 OD2 ASP C 71 14.053 -5.254 -11.897 1.00 97.97 O
+ATOM 1171 N ARG C 72 9.165 -5.759 -9.823 1.00 98.19 N
+ATOM 1172 CA ARG C 72 7.729 -5.929 -10.021 1.00 98.19 C
+ATOM 1173 C ARG C 72 6.943 -5.359 -8.846 1.00 98.19 C
+ATOM 1174 CB ARG C 72 7.384 -7.407 -10.215 1.00 98.19 C
+ATOM 1175 O ARG C 72 5.835 -4.848 -9.023 1.00 98.19 O
+ATOM 1176 CG ARG C 72 7.905 -7.996 -11.516 1.00 98.19 C
+ATOM 1177 CD ARG C 72 7.343 -7.269 -12.729 1.00 98.19 C
+ATOM 1178 NE ARG C 72 8.204 -6.164 -13.142 1.00 98.19 N
+ATOM 1179 NH1 ARG C 72 7.504 -6.169 -15.344 1.00 98.19 N
+ATOM 1180 NH2 ARG C 72 9.080 -4.660 -14.640 1.00 98.19 N
+ATOM 1181 CZ ARG C 72 8.261 -5.667 -14.374 1.00 98.19 C
+ATOM 1182 N TYR C 73 7.516 -5.506 -7.654 1.00 98.09 N
+ATOM 1183 CA TYR C 73 6.862 -4.893 -6.503 1.00 98.09 C
+ATOM 1184 C TYR C 73 6.727 -3.387 -6.691 1.00 98.09 C
+ATOM 1185 CB TYR C 73 7.643 -5.192 -5.219 1.00 98.09 C
+ATOM 1186 O TYR C 73 5.675 -2.811 -6.403 1.00 98.09 O
+ATOM 1187 CG TYR C 73 6.919 -4.781 -3.960 1.00 98.09 C
+ATOM 1188 CD1 TYR C 73 7.063 -3.498 -3.437 1.00 98.09 C
+ATOM 1189 CD2 TYR C 73 6.092 -5.676 -3.289 1.00 98.09 C
+ATOM 1190 CE1 TYR C 73 6.400 -3.116 -2.276 1.00 98.09 C
+ATOM 1191 CE2 TYR C 73 5.424 -5.305 -2.127 1.00 98.09 C
+ATOM 1192 OH TYR C 73 4.925 -3.652 -0.479 1.00 98.09 O
+ATOM 1193 CZ TYR C 73 5.584 -4.025 -1.629 1.00 98.09 C
+ATOM 1194 N MET C 74 7.766 -2.758 -7.188 1.00 97.87 N
+ATOM 1195 CA MET C 74 7.743 -1.316 -7.414 1.00 97.87 C
+ATOM 1196 C MET C 74 6.755 -0.954 -8.518 1.00 97.87 C
+ATOM 1197 CB MET C 74 9.139 -0.806 -7.775 1.00 97.87 C
+ATOM 1198 O MET C 74 6.036 0.041 -8.411 1.00 97.87 O
+ATOM 1199 CG MET C 74 10.135 -0.882 -6.628 1.00 97.87 C
+ATOM 1200 SD MET C 74 9.565 0.030 -5.141 1.00 97.87 S
+ATOM 1201 CE MET C 74 9.745 1.738 -5.725 1.00 97.87 C
+ATOM 1202 N ASP C 75 6.717 -1.812 -9.547 1.00 98.36 N
+ATOM 1203 CA ASP C 75 5.733 -1.600 -10.604 1.00 98.36 C
+ATOM 1204 C ASP C 75 4.311 -1.678 -10.054 1.00 98.36 C
+ATOM 1205 CB ASP C 75 5.920 -2.624 -11.725 1.00 98.36 C
+ATOM 1206 O ASP C 75 3.471 -0.832 -10.368 1.00 98.36 O
+ATOM 1207 CG ASP C 75 7.210 -2.423 -12.502 1.00 98.36 C
+ATOM 1208 OD1 ASP C 75 7.817 -1.335 -12.405 1.00 98.36 O
+ATOM 1209 OD2 ASP C 75 7.620 -3.360 -13.221 1.00 98.36 O
+ATOM 1210 N ALA C 76 4.113 -2.698 -9.311 1.00 98.62 N
+ATOM 1211 CA ALA C 76 2.791 -2.884 -8.717 1.00 98.62 C
+ATOM 1212 C ALA C 76 2.435 -1.720 -7.797 1.00 98.62 C
+ATOM 1213 CB ALA C 76 2.734 -4.202 -7.950 1.00 98.62 C
+ATOM 1214 O ALA C 76 1.291 -1.258 -7.785 1.00 98.62 O
+ATOM 1215 N TRP C 77 3.426 -1.297 -7.031 1.00 98.43 N
+ATOM 1216 CA TRP C 77 3.217 -0.160 -6.141 1.00 98.43 C
+ATOM 1217 C TRP C 77 2.714 1.053 -6.917 1.00 98.43 C
+ATOM 1218 CB TRP C 77 4.511 0.191 -5.402 1.00 98.43 C
+ATOM 1219 O TRP C 77 1.778 1.730 -6.485 1.00 98.43 O
+ATOM 1220 CG TRP C 77 4.383 1.358 -4.469 1.00 98.43 C
+ATOM 1221 CD1 TRP C 77 4.548 2.680 -4.776 1.00 98.43 C
+ATOM 1222 CD2 TRP C 77 4.068 1.305 -3.075 1.00 98.43 C
+ATOM 1223 CE2 TRP C 77 4.057 2.635 -2.598 1.00 98.43 C
+ATOM 1224 CE3 TRP C 77 3.792 0.262 -2.181 1.00 98.43 C
+ATOM 1225 NE1 TRP C 77 4.353 3.453 -3.655 1.00 98.43 N
+ATOM 1226 CH2 TRP C 77 3.515 1.909 -0.412 1.00 98.43 C
+ATOM 1227 CZ2 TRP C 77 3.781 2.948 -1.265 1.00 98.43 C
+ATOM 1228 CZ3 TRP C 77 3.518 0.576 -0.855 1.00 98.43 C
+ATOM 1229 N ASN C 78 3.288 1.335 -8.030 1.00 98.36 N
+ATOM 1230 CA ASN C 78 2.893 2.470 -8.858 1.00 98.36 C
+ATOM 1231 C ASN C 78 1.484 2.292 -9.418 1.00 98.36 C
+ATOM 1232 CB ASN C 78 3.894 2.679 -9.995 1.00 98.36 C
+ATOM 1233 O ASN C 78 0.693 3.236 -9.429 1.00 98.36 O
+ATOM 1234 CG ASN C 78 5.222 3.228 -9.512 1.00 98.36 C
+ATOM 1235 ND2 ASN C 78 6.292 2.911 -10.230 1.00 98.36 N
+ATOM 1236 OD1 ASN C 78 5.285 3.932 -8.500 1.00 98.36 O
+ATOM 1237 N THR C 79 1.218 1.102 -9.793 1.00 98.81 N
+ATOM 1238 CA THR C 79 -0.104 0.812 -10.339 1.00 98.81 C
+ATOM 1239 C THR C 79 -1.181 0.996 -9.274 1.00 98.81 C
+ATOM 1240 CB THR C 79 -0.174 -0.619 -10.903 1.00 98.81 C
+ATOM 1241 O THR C 79 -2.202 1.641 -9.521 1.00 98.81 O
+ATOM 1242 CG2 THR C 79 -1.558 -0.920 -11.468 1.00 98.81 C
+ATOM 1243 OG1 THR C 79 0.798 -0.763 -11.947 1.00 98.81 O
+ATOM 1244 N VAL C 80 -0.946 0.487 -8.146 1.00 98.82 N
+ATOM 1245 CA VAL C 80 -1.897 0.555 -7.041 1.00 98.82 C
+ATOM 1246 C VAL C 80 -2.056 2.003 -6.584 1.00 98.82 C
+ATOM 1247 CB VAL C 80 -1.455 -0.333 -5.856 1.00 98.82 C
+ATOM 1248 O VAL C 80 -3.174 2.467 -6.350 1.00 98.82 O
+ATOM 1249 CG1 VAL C 80 -2.270 -0.009 -4.606 1.00 98.82 C
+ATOM 1250 CG2 VAL C 80 -1.590 -1.811 -6.218 1.00 98.82 C
+ATOM 1251 N SER C 81 -0.944 2.696 -6.499 1.00 98.61 N
+ATOM 1252 CA SER C 81 -0.990 4.103 -6.113 1.00 98.61 C
+ATOM 1253 C SER C 81 -1.824 4.918 -7.096 1.00 98.61 C
+ATOM 1254 CB SER C 81 0.422 4.682 -6.027 1.00 98.61 C
+ATOM 1255 O SER C 81 -2.654 5.733 -6.687 1.00 98.61 O
+ATOM 1256 OG SER C 81 1.163 4.050 -4.998 1.00 98.61 O
+ATOM 1257 N ARG C 82 -1.661 4.706 -8.341 1.00 98.64 N
+ATOM 1258 CA ARG C 82 -2.407 5.416 -9.375 1.00 98.64 C
+ATOM 1259 C ARG C 82 -3.892 5.072 -9.311 1.00 98.64 C
+ATOM 1260 CB ARG C 82 -1.852 5.086 -10.762 1.00 98.64 C
+ATOM 1261 O ARG C 82 -4.744 5.956 -9.428 1.00 98.64 O
+ATOM 1262 CG ARG C 82 -0.554 5.805 -11.092 1.00 98.64 C
+ATOM 1263 CD ARG C 82 -0.189 5.662 -12.563 1.00 98.64 C
+ATOM 1264 NE ARG C 82 0.118 4.277 -12.911 1.00 98.64 N
+ATOM 1265 NH1 ARG C 82 1.070 4.783 -14.954 1.00 98.64 N
+ATOM 1266 NH2 ARG C 82 0.941 2.605 -14.252 1.00 98.64 N
+ATOM 1267 CZ ARG C 82 0.709 3.892 -14.038 1.00 98.64 C
+ATOM 1268 N ALA C 83 -4.171 3.837 -9.133 1.00 98.82 N
+ATOM 1269 CA ALA C 83 -5.562 3.398 -9.057 1.00 98.82 C
+ATOM 1270 C ALA C 83 -6.274 4.033 -7.866 1.00 98.82 C
+ATOM 1271 CB ALA C 83 -5.636 1.875 -8.967 1.00 98.82 C
+ATOM 1272 O ALA C 83 -7.425 4.462 -7.979 1.00 98.82 O
+ATOM 1273 N TYR C 84 -5.551 4.040 -6.773 1.00 98.57 N
+ATOM 1274 CA TYR C 84 -6.128 4.629 -5.570 1.00 98.57 C
+ATOM 1275 C TYR C 84 -6.369 6.122 -5.756 1.00 98.57 C
+ATOM 1276 CB TYR C 84 -5.214 4.393 -4.364 1.00 98.57 C
+ATOM 1277 O TYR C 84 -7.443 6.630 -5.426 1.00 98.57 O
+ATOM 1278 CG TYR C 84 -5.765 4.939 -3.069 1.00 98.57 C
+ATOM 1279 CD1 TYR C 84 -4.951 5.643 -2.185 1.00 98.57 C
+ATOM 1280 CD2 TYR C 84 -7.100 4.752 -2.727 1.00 98.57 C
+ATOM 1281 CE1 TYR C 84 -5.454 6.146 -0.990 1.00 98.57 C
+ATOM 1282 CE2 TYR C 84 -7.614 5.251 -1.535 1.00 98.57 C
+ATOM 1283 OH TYR C 84 -7.288 6.442 0.508 1.00 98.57 O
+ATOM 1284 CZ TYR C 84 -6.785 5.946 -0.674 1.00 98.57 C
+ATOM 1285 N ASN C 85 -5.426 6.776 -6.269 1.00 98.26 N
+ATOM 1286 CA ASN C 85 -5.569 8.205 -6.528 1.00 98.26 C
+ATOM 1287 C ASN C 85 -6.748 8.492 -7.452 1.00 98.26 C
+ATOM 1288 CB ASN C 85 -4.278 8.775 -7.121 1.00 98.26 C
+ATOM 1289 O ASN C 85 -7.534 9.406 -7.198 1.00 98.26 O
+ATOM 1290 CG ASN C 85 -4.319 10.283 -7.266 1.00 98.26 C
+ATOM 1291 ND2 ASN C 85 -3.824 10.989 -6.257 1.00 98.26 N
+ATOM 1292 OD1 ASN C 85 -4.791 10.810 -8.277 1.00 98.26 O
+ATOM 1293 N SER C 86 -6.858 7.704 -8.497 1.00 97.82 N
+ATOM 1294 CA SER C 86 -7.958 7.867 -9.442 1.00 97.82 C
+ATOM 1295 C SER C 86 -9.307 7.648 -8.764 1.00 97.82 C
+ATOM 1296 CB SER C 86 -7.805 6.898 -10.615 1.00 97.82 C
+ATOM 1297 O SER C 86 -10.266 8.376 -9.029 1.00 97.82 O
+ATOM 1298 OG SER C 86 -8.877 7.043 -11.531 1.00 97.82 O
+ATOM 1299 N ARG C 87 -9.336 6.644 -7.967 1.00 97.70 N
+ATOM 1300 CA ARG C 87 -10.565 6.354 -7.236 1.00 97.70 C
+ATOM 1301 C ARG C 87 -10.951 7.519 -6.331 1.00 97.70 C
+ATOM 1302 CB ARG C 87 -10.410 5.077 -6.408 1.00 97.70 C
+ATOM 1303 O ARG C 87 -12.119 7.909 -6.276 1.00 97.70 O
+ATOM 1304 CG ARG C 87 -11.623 4.745 -5.553 1.00 97.70 C
+ATOM 1305 CD ARG C 87 -12.825 4.363 -6.405 1.00 97.70 C
+ATOM 1306 NE ARG C 87 -13.966 3.972 -5.583 1.00 97.70 N
+ATOM 1307 NH1 ARG C 87 -14.009 1.782 -6.317 1.00 97.70 N
+ATOM 1308 NH2 ARG C 87 -15.540 2.508 -4.773 1.00 97.70 N
+ATOM 1309 CZ ARG C 87 -14.502 2.755 -5.560 1.00 97.70 C
+ATOM 1310 N LEU C 88 -10.063 8.128 -5.657 1.00 96.35 N
+ATOM 1311 CA LEU C 88 -10.327 9.267 -4.784 1.00 96.35 C
+ATOM 1312 C LEU C 88 -10.875 10.446 -5.581 1.00 96.35 C
+ATOM 1313 CB LEU C 88 -9.053 9.683 -4.045 1.00 96.35 C
+ATOM 1314 O LEU C 88 -11.795 11.132 -5.129 1.00 96.35 O
+ATOM 1315 CG LEU C 88 -8.682 8.854 -2.813 1.00 96.35 C
+ATOM 1316 CD1 LEU C 88 -8.124 7.499 -3.235 1.00 96.35 C
+ATOM 1317 CD2 LEU C 88 -7.679 9.606 -1.945 1.00 96.35 C
+ATOM 1318 N GLN C 89 -10.362 10.657 -6.699 1.00 96.08 N
+ATOM 1319 CA GLN C 89 -10.802 11.753 -7.556 1.00 96.08 C
+ATOM 1320 C GLN C 89 -12.239 11.542 -8.025 1.00 96.08 C
+ATOM 1321 CB GLN C 89 -9.872 11.899 -8.761 1.00 96.08 C
+ATOM 1322 O GLN C 89 -13.031 12.486 -8.061 1.00 96.08 O
+ATOM 1323 CG GLN C 89 -8.476 12.392 -8.405 1.00 96.08 C
+ATOM 1324 CD GLN C 89 -7.554 12.462 -9.607 1.00 96.08 C
+ATOM 1325 NE2 GLN C 89 -6.357 13.002 -9.405 1.00 96.08 N
+ATOM 1326 OE1 GLN C 89 -7.913 12.033 -10.708 1.00 96.08 O
+ATOM 1327 N ARG C 90 -12.513 10.348 -8.402 1.00 94.92 N
+ATOM 1328 CA ARG C 90 -13.858 10.025 -8.866 1.00 94.92 C
+ATOM 1329 C ARG C 90 -14.882 10.218 -7.753 1.00 94.92 C
+ATOM 1330 CB ARG C 90 -13.916 8.589 -9.390 1.00 94.92 C
+ATOM 1331 O ARG C 90 -15.990 10.701 -7.999 1.00 94.92 O
+ATOM 1332 CG ARG C 90 -13.183 8.382 -10.706 1.00 94.92 C
+ATOM 1333 CD ARG C 90 -13.370 6.969 -11.239 1.00 94.92 C
+ATOM 1334 NE ARG C 90 -12.428 6.034 -10.629 1.00 94.92 N
+ATOM 1335 NH1 ARG C 90 -13.437 4.139 -11.484 1.00 94.92 N
+ATOM 1336 NH2 ARG C 90 -11.574 3.954 -10.161 1.00 94.92 N
+ATOM 1337 CZ ARG C 90 -12.482 4.711 -10.760 1.00 94.92 C
+ATOM 1338 N GLU C 91 -14.479 9.853 -6.585 1.00 91.57 N
+ATOM 1339 CA GLU C 91 -15.392 9.987 -5.453 1.00 91.57 C
+ATOM 1340 C GLU C 91 -15.603 11.452 -5.084 1.00 91.57 C
+ATOM 1341 CB GLU C 91 -14.867 9.210 -4.243 1.00 91.57 C
+ATOM 1342 O GLU C 91 -16.696 11.843 -4.670 1.00 91.57 O
+ATOM 1343 CG GLU C 91 -14.903 7.699 -4.419 1.00 91.57 C
+ATOM 1344 CD GLU C 91 -14.480 6.939 -3.172 1.00 91.57 C
+ATOM 1345 OE1 GLU C 91 -14.610 5.694 -3.146 1.00 91.57 O
+ATOM 1346 OE2 GLU C 91 -14.014 7.594 -2.213 1.00 91.57 O
+ATOM 1347 N ARG C 92 -14.624 12.185 -5.190 1.00 91.86 N
+ATOM 1348 CA ARG C 92 -14.720 13.613 -4.908 1.00 91.86 C
+ATOM 1349 C ARG C 92 -15.566 14.323 -5.960 1.00 91.86 C
+ATOM 1350 CB ARG C 92 -13.327 14.244 -4.843 1.00 91.86 C
+ATOM 1351 O ARG C 92 -16.302 15.260 -5.643 1.00 91.86 O
+ATOM 1352 CG ARG C 92 -12.560 13.912 -3.573 1.00 91.86 C
+ATOM 1353 CD ARG C 92 -11.195 14.587 -3.546 1.00 91.86 C
+ATOM 1354 NE ARG C 92 -10.379 14.109 -2.434 1.00 91.86 N
+ATOM 1355 NH1 ARG C 92 -8.468 15.234 -3.081 1.00 91.86 N
+ATOM 1356 NH2 ARG C 92 -8.455 13.935 -1.192 1.00 91.86 N
+ATOM 1357 CZ ARG C 92 -9.103 14.427 -2.238 1.00 91.86 C
+ATOM 1358 N ALA C 93 -15.488 13.879 -7.120 1.00 91.74 N
+ATOM 1359 CA ALA C 93 -16.248 14.473 -8.218 1.00 91.74 C
+ATOM 1360 C ALA C 93 -17.734 14.148 -8.095 1.00 91.74 C
+ATOM 1361 CB ALA C 93 -15.709 13.988 -9.561 1.00 91.74 C
+ATOM 1362 O ALA C 93 -18.583 14.917 -8.550 1.00 91.74 O
+ATOM 1363 N ASN C 94 -17.901 13.089 -7.526 1.00 87.24 N
+ATOM 1364 CA ASN C 94 -19.287 12.667 -7.353 1.00 87.24 C
+ATOM 1365 C ASN C 94 -19.918 13.307 -6.119 1.00 87.24 C
+ATOM 1366 CB ASN C 94 -19.378 11.142 -7.266 1.00 87.24 C
+ATOM 1367 O ASN C 94 -21.130 13.217 -5.919 1.00 87.24 O
+ATOM 1368 CG ASN C 94 -19.103 10.464 -8.594 1.00 87.24 C
+ATOM 1369 ND2 ASN C 94 -18.862 9.159 -8.554 1.00 87.24 N
+ATOM 1370 OD1 ASN C 94 -19.107 11.108 -9.646 1.00 87.24 O
+ATOM 1371 N MET C 95 -19.131 14.016 -5.292 1.00 74.65 N
+ATOM 1372 CA MET C 95 -19.659 14.725 -4.131 1.00 74.65 C
+ATOM 1373 C MET C 95 -19.918 16.192 -4.460 1.00 74.65 C
+ATOM 1374 CB MET C 95 -18.692 14.618 -2.950 1.00 74.65 C
+ATOM 1375 O MET C 95 -20.904 16.770 -4.000 1.00 74.65 O
+ATOM 1376 CG MET C 95 -18.840 13.333 -2.152 1.00 74.65 C
+ATOM 1377 SD MET C 95 -17.846 13.345 -0.609 1.00 74.65 S
+ATOM 1378 CE MET C 95 -17.936 11.590 -0.157 1.00 74.65 C
+TER 1379 MET C 95
+ENDMDL
+END
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_3_model_3_scores.json b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_3_model_3_scores.json
new file mode 100644
index 0000000000000000000000000000000000000000..a3201c7e6b7901f9fe6924af2f7b0fe216bd0119
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_3_model_3_scores.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_4_model_2.pdb b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_4_model_2.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..3555558955a721f27b1469e9b6c1e49a18ae18b5
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_4_model_2.pdb
@@ -0,0 +1,1382 @@
+MODEL 1
+ATOM 1 N MET B 1 8.317 39.011 19.688 1.00 42.34 N
+ATOM 2 CA MET B 1 8.849 37.725 19.245 1.00 42.34 C
+ATOM 3 C MET B 1 7.739 36.684 19.142 1.00 42.34 C
+ATOM 4 CB MET B 1 9.938 37.236 20.200 1.00 42.34 C
+ATOM 5 O MET B 1 7.973 35.565 18.682 1.00 42.34 O
+ATOM 6 CG MET B 1 11.341 37.665 19.802 1.00 42.34 C
+ATOM 7 SD MET B 1 12.633 36.531 20.445 1.00 42.34 S
+ATOM 8 CE MET B 1 13.720 37.723 21.276 1.00 42.34 C
+ATOM 9 N ALA B 2 6.663 36.923 19.908 1.00 50.21 N
+ATOM 10 CA ALA B 2 5.472 36.082 19.989 1.00 50.21 C
+ATOM 11 C ALA B 2 4.632 36.197 18.719 1.00 50.21 C
+ATOM 12 CB ALA B 2 4.637 36.457 21.211 1.00 50.21 C
+ATOM 13 O ALA B 2 3.979 35.234 18.311 1.00 50.21 O
+ATOM 14 N GLU B 3 4.548 37.401 18.095 1.00 53.12 N
+ATOM 15 CA GLU B 3 3.660 37.590 16.952 1.00 53.12 C
+ATOM 16 C GLU B 3 4.168 36.832 15.728 1.00 53.12 C
+ATOM 17 CB GLU B 3 3.513 39.078 16.625 1.00 53.12 C
+ATOM 18 O GLU B 3 3.379 36.423 14.874 1.00 53.12 O
+ATOM 19 CG GLU B 3 2.318 39.739 17.296 1.00 53.12 C
+ATOM 20 CD GLU B 3 2.060 41.155 16.803 1.00 53.12 C
+ATOM 21 OE1 GLU B 3 1.079 41.369 16.056 1.00 53.12 O
+ATOM 22 OE2 GLU B 3 2.848 42.057 17.167 1.00 53.12 O
+ATOM 23 N LEU B 4 5.540 36.761 15.527 1.00 57.34 N
+ATOM 24 CA LEU B 4 6.082 35.929 14.459 1.00 57.34 C
+ATOM 25 C LEU B 4 5.613 34.485 14.603 1.00 57.34 C
+ATOM 26 CB LEU B 4 7.612 35.983 14.461 1.00 57.34 C
+ATOM 27 O LEU B 4 5.489 33.766 13.608 1.00 57.34 O
+ATOM 28 CG LEU B 4 8.245 37.280 13.954 1.00 57.34 C
+ATOM 29 CD1 LEU B 4 9.734 37.308 14.286 1.00 57.34 C
+ATOM 30 CD2 LEU B 4 8.023 37.433 12.454 1.00 57.34 C
+ATOM 31 N GLY B 5 5.333 34.157 15.910 1.00 60.84 N
+ATOM 32 CA GLY B 5 5.141 32.745 16.201 1.00 60.84 C
+ATOM 33 C GLY B 5 3.789 32.222 15.755 1.00 60.84 C
+ATOM 34 O GLY B 5 3.584 31.010 15.669 1.00 60.84 O
+ATOM 35 N GLU B 6 2.836 33.215 15.639 1.00 68.86 N
+ATOM 36 CA GLU B 6 1.532 32.680 15.260 1.00 68.86 C
+ATOM 37 C GLU B 6 1.510 32.265 13.792 1.00 68.86 C
+ATOM 38 CB GLU B 6 0.430 33.706 15.533 1.00 68.86 C
+ATOM 39 O GLU B 6 0.965 31.215 13.446 1.00 68.86 O
+ATOM 40 CG GLU B 6 -0.724 33.164 16.364 1.00 68.86 C
+ATOM 41 CD GLU B 6 -1.623 34.253 16.926 1.00 68.86 C
+ATOM 42 OE1 GLU B 6 -2.822 34.295 16.569 1.00 68.86 O
+ATOM 43 OE2 GLU B 6 -1.124 35.072 17.730 1.00 68.86 O
+ATOM 44 N ALA B 7 2.015 33.173 12.858 1.00 68.56 N
+ATOM 45 CA ALA B 7 2.106 32.831 11.441 1.00 68.56 C
+ATOM 46 C ALA B 7 3.004 31.616 11.226 1.00 68.56 C
+ATOM 47 CB ALA B 7 2.625 34.021 10.638 1.00 68.56 C
+ATOM 48 O ALA B 7 2.687 30.736 10.422 1.00 68.56 O
+ATOM 49 N ASP B 8 4.091 31.670 11.883 1.00 74.65 N
+ATOM 50 CA ASP B 8 4.995 30.526 11.812 1.00 74.65 C
+ATOM 51 C ASP B 8 4.330 29.266 12.361 1.00 74.65 C
+ATOM 52 CB ASP B 8 6.287 30.816 12.579 1.00 74.65 C
+ATOM 53 O ASP B 8 4.495 28.178 11.804 1.00 74.65 O
+ATOM 54 CG ASP B 8 7.184 31.818 11.873 1.00 74.65 C
+ATOM 55 OD1 ASP B 8 6.999 32.052 10.659 1.00 74.65 O
+ATOM 56 OD2 ASP B 8 8.085 32.376 12.536 1.00 74.65 O
+ATOM 57 N GLU B 9 3.564 29.541 13.385 1.00 80.97 N
+ATOM 58 CA GLU B 9 2.839 28.415 13.966 1.00 80.97 C
+ATOM 59 C GLU B 9 1.776 27.888 13.006 1.00 80.97 C
+ATOM 60 CB GLU B 9 2.193 28.819 15.294 1.00 80.97 C
+ATOM 61 O GLU B 9 1.599 26.675 12.873 1.00 80.97 O
+ATOM 62 CG GLU B 9 1.641 27.646 16.091 1.00 80.97 C
+ATOM 63 CD GLU B 9 1.090 28.050 17.450 1.00 80.97 C
+ATOM 64 OE1 GLU B 9 0.470 27.201 18.130 1.00 80.97 O
+ATOM 65 OE2 GLU B 9 1.280 29.225 17.836 1.00 80.97 O
+ATOM 66 N ALA B 10 1.045 28.849 12.370 1.00 83.48 N
+ATOM 67 CA ALA B 10 0.026 28.463 11.397 1.00 83.48 C
+ATOM 68 C ALA B 10 0.649 27.733 10.211 1.00 83.48 C
+ATOM 69 CB ALA B 10 -0.744 29.690 10.918 1.00 83.48 C
+ATOM 70 O ALA B 10 0.097 26.744 9.723 1.00 83.48 O
+ATOM 71 N GLU B 11 1.718 28.214 9.766 1.00 83.22 N
+ATOM 72 CA GLU B 11 2.421 27.569 8.661 1.00 83.22 C
+ATOM 73 C GLU B 11 2.900 26.174 9.052 1.00 83.22 C
+ATOM 74 CB GLU B 11 3.606 28.423 8.205 1.00 83.22 C
+ATOM 75 O GLU B 11 2.785 25.230 8.268 1.00 83.22 O
+ATOM 76 CG GLU B 11 4.377 27.831 7.034 1.00 83.22 C
+ATOM 77 CD GLU B 11 3.551 27.733 5.761 1.00 83.22 C
+ATOM 78 OE1 GLU B 11 4.034 27.142 4.768 1.00 83.22 O
+ATOM 79 OE2 GLU B 11 2.412 28.251 5.756 1.00 83.22 O
+ATOM 80 N LEU B 12 3.484 26.079 10.153 1.00 83.92 N
+ATOM 81 CA LEU B 12 3.928 24.784 10.655 1.00 83.92 C
+ATOM 82 C LEU B 12 2.758 23.810 10.756 1.00 83.92 C
+ATOM 83 CB LEU B 12 4.598 24.939 12.022 1.00 83.92 C
+ATOM 84 O LEU B 12 2.878 22.646 10.367 1.00 83.92 O
+ATOM 85 CG LEU B 12 5.146 23.660 12.658 1.00 83.92 C
+ATOM 86 CD1 LEU B 12 6.267 23.082 11.802 1.00 83.92 C
+ATOM 87 CD2 LEU B 12 5.636 23.935 14.076 1.00 83.92 C
+ATOM 88 N GLN B 13 1.642 24.295 11.275 1.00 86.52 N
+ATOM 89 CA GLN B 13 0.453 23.458 11.394 1.00 86.52 C
+ATOM 90 C GLN B 13 -0.012 22.966 10.026 1.00 86.52 C
+ATOM 91 CB GLN B 13 -0.676 24.222 12.088 1.00 86.52 C
+ATOM 92 O GLN B 13 -0.416 21.810 9.881 1.00 86.52 O
+ATOM 93 CG GLN B 13 -0.471 24.394 13.587 1.00 86.52 C
+ATOM 94 CD GLN B 13 -1.564 25.221 14.238 1.00 86.52 C
+ATOM 95 NE2 GLN B 13 -1.522 25.322 15.562 1.00 86.52 N
+ATOM 96 OE1 GLN B 13 -2.438 25.765 13.556 1.00 86.52 O
+ATOM 97 N ARG B 14 0.058 23.844 9.057 1.00 88.24 N
+ATOM 98 CA ARG B 14 -0.332 23.469 7.701 1.00 88.24 C
+ATOM 99 C ARG B 14 0.605 22.406 7.136 1.00 88.24 C
+ATOM 100 CB ARG B 14 -0.345 24.695 6.786 1.00 88.24 C
+ATOM 101 O ARG B 14 0.156 21.456 6.491 1.00 88.24 O
+ATOM 102 CG ARG B 14 -1.566 25.583 6.964 1.00 88.24 C
+ATOM 103 CD ARG B 14 -1.627 26.677 5.907 1.00 88.24 C
+ATOM 104 NE ARG B 14 -2.673 27.653 6.200 1.00 88.24 N
+ATOM 105 NH1 ARG B 14 -2.120 29.075 4.466 1.00 88.24 N
+ATOM 106 NH2 ARG B 14 -3.863 29.588 5.863 1.00 88.24 N
+ATOM 107 CZ ARG B 14 -2.883 28.770 5.509 1.00 88.24 C
+ATOM 108 N LEU B 15 1.829 22.548 7.388 1.00 85.41 N
+ATOM 109 CA LEU B 15 2.812 21.587 6.899 1.00 85.41 C
+ATOM 110 C LEU B 15 2.621 20.228 7.563 1.00 85.41 C
+ATOM 111 CB LEU B 15 4.233 22.098 7.153 1.00 85.41 C
+ATOM 112 O LEU B 15 2.716 19.191 6.903 1.00 85.41 O
+ATOM 113 CG LEU B 15 4.698 23.269 6.287 1.00 85.41 C
+ATOM 114 CD1 LEU B 15 6.064 23.762 6.751 1.00 85.41 C
+ATOM 115 CD2 LEU B 15 4.740 22.864 4.817 1.00 85.41 C
+ATOM 116 N VAL B 16 2.354 20.300 8.805 1.00 87.28 N
+ATOM 117 CA VAL B 16 2.134 19.059 9.541 1.00 87.28 C
+ATOM 118 C VAL B 16 0.891 18.353 9.003 1.00 87.28 C
+ATOM 119 CB VAL B 16 1.987 19.317 11.057 1.00 87.28 C
+ATOM 120 O VAL B 16 0.897 17.135 8.809 1.00 87.28 O
+ATOM 121 CG1 VAL B 16 1.502 18.058 11.774 1.00 87.28 C
+ATOM 122 CG2 VAL B 16 3.312 19.795 11.648 1.00 87.28 C
+ATOM 123 N ALA B 17 -0.151 19.083 8.744 1.00 91.95 N
+ATOM 124 CA ALA B 17 -1.385 18.509 8.214 1.00 91.95 C
+ATOM 125 C ALA B 17 -1.157 17.896 6.835 1.00 91.95 C
+ATOM 126 CB ALA B 17 -2.480 19.570 8.147 1.00 91.95 C
+ATOM 127 O ALA B 17 -1.675 16.818 6.534 1.00 91.95 O
+ATOM 128 N ALA B 18 -0.447 18.537 6.044 1.00 90.18 N
+ATOM 129 CA ALA B 18 -0.139 18.037 4.706 1.00 90.18 C
+ATOM 130 C ALA B 18 0.662 16.741 4.776 1.00 90.18 C
+ATOM 131 CB ALA B 18 0.625 19.090 3.908 1.00 90.18 C
+ATOM 132 O ALA B 18 0.387 15.793 4.037 1.00 90.18 O
+ATOM 133 N GLU B 19 1.599 16.720 5.725 1.00 90.00 N
+ATOM 134 CA GLU B 19 2.421 15.524 5.884 1.00 90.00 C
+ATOM 135 C GLU B 19 1.595 14.352 6.406 1.00 90.00 C
+ATOM 136 CB GLU B 19 3.596 15.800 6.826 1.00 90.00 C
+ATOM 137 O GLU B 19 1.827 13.203 6.024 1.00 90.00 O
+ATOM 138 CG GLU B 19 4.634 14.688 6.857 1.00 90.00 C
+ATOM 139 CD GLU B 19 5.268 14.421 5.501 1.00 90.00 C
+ATOM 140 OE1 GLU B 19 5.732 13.283 5.261 1.00 90.00 O
+ATOM 141 OE2 GLU B 19 5.301 15.358 4.672 1.00 90.00 O
+ATOM 142 N GLN B 20 0.669 14.647 7.216 1.00 91.23 N
+ATOM 143 CA GLN B 20 -0.207 13.614 7.760 1.00 91.23 C
+ATOM 144 C GLN B 20 -1.079 13.002 6.667 1.00 91.23 C
+ATOM 145 CB GLN B 20 -1.085 14.186 8.874 1.00 91.23 C
+ATOM 146 O GLN B 20 -1.286 11.787 6.639 1.00 91.23 O
+ATOM 147 CG GLN B 20 -0.355 14.376 10.196 1.00 91.23 C
+ATOM 148 CD GLN B 20 -1.245 14.953 11.281 1.00 91.23 C
+ATOM 149 NE2 GLN B 20 -0.760 14.934 12.518 1.00 91.23 N
+ATOM 150 OE1 GLN B 20 -2.358 15.413 11.009 1.00 91.23 O
+ATOM 151 N GLN B 21 -1.579 13.771 5.764 1.00 93.77 N
+ATOM 152 CA GLN B 21 -2.386 13.287 4.649 1.00 93.77 C
+ATOM 153 C GLN B 21 -1.567 12.388 3.727 1.00 93.77 C
+ATOM 154 CB GLN B 21 -2.969 14.459 3.858 1.00 93.77 C
+ATOM 155 O GLN B 21 -2.046 11.342 3.285 1.00 93.77 O
+ATOM 156 CG GLN B 21 -4.085 15.196 4.585 1.00 93.77 C
+ATOM 157 CD GLN B 21 -4.669 16.332 3.766 1.00 93.77 C
+ATOM 158 NE2 GLN B 21 -5.994 16.433 3.751 1.00 93.77 N
+ATOM 159 OE1 GLN B 21 -3.935 17.113 3.152 1.00 93.77 O
+ATOM 160 N LYS B 22 -0.394 12.839 3.532 1.00 93.00 N
+ATOM 161 CA LYS B 22 0.493 12.033 2.697 1.00 93.00 C
+ATOM 162 C LYS B 22 0.773 10.678 3.341 1.00 93.00 C
+ATOM 163 CB LYS B 22 1.806 12.773 2.438 1.00 93.00 C
+ATOM 164 O LYS B 22 0.773 9.650 2.661 1.00 93.00 O
+ATOM 165 CG LYS B 22 2.724 12.076 1.445 1.00 93.00 C
+ATOM 166 CD LYS B 22 3.986 12.888 1.184 1.00 93.00 C
+ATOM 167 CE LYS B 22 4.951 12.145 0.270 1.00 93.00 C
+ATOM 168 NZ LYS B 22 6.208 12.920 0.046 1.00 93.00 N
+ATOM 169 N ALA B 23 1.045 10.698 4.626 1.00 92.95 N
+ATOM 170 CA ALA B 23 1.327 9.467 5.360 1.00 92.95 C
+ATOM 171 C ALA B 23 0.129 8.523 5.328 1.00 92.95 C
+ATOM 172 CB ALA B 23 1.713 9.784 6.803 1.00 92.95 C
+ATOM 173 O ALA B 23 0.291 7.307 5.196 1.00 92.95 O
+ATOM 174 N GLN B 24 -1.068 9.056 5.420 1.00 95.14 N
+ATOM 175 CA GLN B 24 -2.276 8.240 5.375 1.00 95.14 C
+ATOM 176 C GLN B 24 -2.455 7.598 4.002 1.00 95.14 C
+ATOM 177 CB GLN B 24 -3.505 9.080 5.726 1.00 95.14 C
+ATOM 178 O GLN B 24 -2.839 6.430 3.903 1.00 95.14 O
+ATOM 179 CG GLN B 24 -3.626 9.404 7.208 1.00 95.14 C
+ATOM 180 CD GLN B 24 -4.808 10.303 7.519 1.00 95.14 C
+ATOM 181 NE2 GLN B 24 -4.969 10.654 8.790 1.00 95.14 N
+ATOM 182 OE1 GLN B 24 -5.570 10.680 6.623 1.00 95.14 O
+ATOM 183 N PHE B 25 -2.205 8.409 3.000 1.00 96.07 N
+ATOM 184 CA PHE B 25 -2.278 7.881 1.642 1.00 96.07 C
+ATOM 185 C PHE B 25 -1.309 6.719 1.461 1.00 96.07 C
+ATOM 186 CB PHE B 25 -1.976 8.981 0.619 1.00 96.07 C
+ATOM 187 O PHE B 25 -1.691 5.657 0.963 1.00 96.07 O
+ATOM 188 CG PHE B 25 -2.043 8.515 -0.810 1.00 96.07 C
+ATOM 189 CD1 PHE B 25 -0.922 7.985 -1.436 1.00 96.07 C
+ATOM 190 CD2 PHE B 25 -3.228 8.608 -1.528 1.00 96.07 C
+ATOM 191 CE1 PHE B 25 -0.981 7.553 -2.759 1.00 96.07 C
+ATOM 192 CE2 PHE B 25 -3.295 8.178 -2.850 1.00 96.07 C
+ATOM 193 CZ PHE B 25 -2.170 7.652 -3.464 1.00 96.07 C
+ATOM 194 N THR B 26 -0.047 6.896 1.854 1.00 95.71 N
+ATOM 195 CA THR B 26 0.990 5.878 1.727 1.00 95.71 C
+ATOM 196 C THR B 26 0.615 4.623 2.509 1.00 95.71 C
+ATOM 197 CB THR B 26 2.352 6.404 2.217 1.00 95.71 C
+ATOM 198 O THR B 26 0.799 3.504 2.023 1.00 95.71 O
+ATOM 199 CG2 THR B 26 3.434 5.338 2.080 1.00 95.71 C
+ATOM 200 OG1 THR B 26 2.724 7.548 1.439 1.00 95.71 O
+ATOM 201 N ALA B 27 0.092 4.810 3.679 1.00 96.22 N
+ATOM 202 CA ALA B 27 -0.321 3.674 4.500 1.00 96.22 C
+ATOM 203 C ALA B 27 -1.422 2.872 3.812 1.00 96.22 C
+ATOM 204 CB ALA B 27 -0.792 4.152 5.871 1.00 96.22 C
+ATOM 205 O ALA B 27 -1.417 1.639 3.851 1.00 96.22 O
+ATOM 206 N GLN B 28 -2.309 3.560 3.209 1.00 97.50 N
+ATOM 207 CA GLN B 28 -3.396 2.877 2.515 1.00 97.50 C
+ATOM 208 C GLN B 28 -2.879 2.125 1.292 1.00 97.50 C
+ATOM 209 CB GLN B 28 -4.478 3.874 2.099 1.00 97.50 C
+ATOM 210 O GLN B 28 -3.344 1.022 0.994 1.00 97.50 O
+ATOM 211 CG GLN B 28 -5.802 3.223 1.722 1.00 97.50 C
+ATOM 212 CD GLN B 28 -6.418 2.439 2.865 1.00 97.50 C
+ATOM 213 NE2 GLN B 28 -6.913 1.243 2.565 1.00 97.50 N
+ATOM 214 OE1 GLN B 28 -6.447 2.903 4.009 1.00 97.50 O
+ATOM 215 N VAL B 29 -1.958 2.745 0.665 1.00 98.16 N
+ATOM 216 CA VAL B 29 -1.369 2.068 -0.486 1.00 98.16 C
+ATOM 217 C VAL B 29 -0.673 0.787 -0.032 1.00 98.16 C
+ATOM 218 CB VAL B 29 -0.371 2.982 -1.232 1.00 98.16 C
+ATOM 219 O VAL B 29 -0.780 -0.251 -0.689 1.00 98.16 O
+ATOM 220 CG1 VAL B 29 0.346 2.209 -2.337 1.00 98.16 C
+ATOM 221 CG2 VAL B 29 -1.092 4.199 -1.809 1.00 98.16 C
+ATOM 222 N HIS B 30 0.087 0.804 1.078 1.00 97.43 N
+ATOM 223 CA HIS B 30 0.697 -0.399 1.632 1.00 97.43 C
+ATOM 224 C HIS B 30 -0.351 -1.473 1.904 1.00 97.43 C
+ATOM 225 CB HIS B 30 1.458 -0.071 2.918 1.00 97.43 C
+ATOM 226 O HIS B 30 -0.123 -2.653 1.630 1.00 97.43 O
+ATOM 227 CG HIS B 30 2.800 0.544 2.681 1.00 97.43 C
+ATOM 228 CD2 HIS B 30 3.320 1.728 3.084 1.00 97.43 C
+ATOM 229 ND1 HIS B 30 3.783 -0.076 1.940 1.00 97.43 N
+ATOM 230 CE1 HIS B 30 4.852 0.701 1.900 1.00 97.43 C
+ATOM 231 NE2 HIS B 30 4.597 1.801 2.586 1.00 97.43 N
+ATOM 232 N HIS B 31 -1.432 -1.041 2.395 1.00 97.81 N
+ATOM 233 CA HIS B 31 -2.499 -1.992 2.687 1.00 97.81 C
+ATOM 234 C HIS B 31 -3.031 -2.632 1.409 1.00 97.81 C
+ATOM 235 CB HIS B 31 -3.638 -1.304 3.443 1.00 97.81 C
+ATOM 236 O HIS B 31 -3.223 -3.849 1.352 1.00 97.81 O
+ATOM 237 CG HIS B 31 -4.754 -2.227 3.815 1.00 97.81 C
+ATOM 238 CD2 HIS B 31 -6.050 -2.258 3.423 1.00 97.81 C
+ATOM 239 ND1 HIS B 31 -4.593 -3.272 4.698 1.00 97.81 N
+ATOM 240 CE1 HIS B 31 -5.744 -3.908 4.834 1.00 97.81 C
+ATOM 241 NE2 HIS B 31 -6.645 -3.313 4.070 1.00 97.81 N
+ATOM 242 N PHE B 32 -3.264 -1.821 0.435 1.00 98.67 N
+ATOM 243 CA PHE B 32 -3.705 -2.355 -0.848 1.00 98.67 C
+ATOM 244 C PHE B 32 -2.676 -3.327 -1.413 1.00 98.67 C
+ATOM 245 CB PHE B 32 -3.960 -1.221 -1.845 1.00 98.67 C
+ATOM 246 O PHE B 32 -3.035 -4.381 -1.942 1.00 98.67 O
+ATOM 247 CG PHE B 32 -5.127 -0.343 -1.481 1.00 98.67 C
+ATOM 248 CD1 PHE B 32 -6.216 -0.861 -0.791 1.00 98.67 C
+ATOM 249 CD2 PHE B 32 -5.135 1.001 -1.830 1.00 98.67 C
+ATOM 250 CE1 PHE B 32 -7.297 -0.051 -0.452 1.00 98.67 C
+ATOM 251 CE2 PHE B 32 -6.212 1.817 -1.495 1.00 98.67 C
+ATOM 252 CZ PHE B 32 -7.292 1.289 -0.807 1.00 98.67 C
+ATOM 253 N MET B 33 -1.433 -2.960 -1.285 1.00 98.55 N
+ATOM 254 CA MET B 33 -0.363 -3.819 -1.786 1.00 98.55 C
+ATOM 255 C MET B 33 -0.393 -5.180 -1.099 1.00 98.55 C
+ATOM 256 CB MET B 33 1.000 -3.157 -1.578 1.00 98.55 C
+ATOM 257 O MET B 33 -0.173 -6.209 -1.741 1.00 98.55 O
+ATOM 258 CG MET B 33 1.329 -2.093 -2.611 1.00 98.55 C
+ATOM 259 SD MET B 33 1.381 -2.763 -4.319 1.00 98.55 S
+ATOM 260 CE MET B 33 2.845 -3.828 -4.200 1.00 98.55 C
+ATOM 261 N GLU B 34 -0.637 -5.218 0.149 1.00 97.31 N
+ATOM 262 CA GLU B 34 -0.710 -6.466 0.903 1.00 97.31 C
+ATOM 263 C GLU B 34 -1.802 -7.380 0.353 1.00 97.31 C
+ATOM 264 CB GLU B 34 -0.957 -6.185 2.387 1.00 97.31 C
+ATOM 265 O GLU B 34 -1.599 -8.589 0.222 1.00 97.31 O
+ATOM 266 CG GLU B 34 0.272 -5.684 3.131 1.00 97.31 C
+ATOM 267 CD GLU B 34 0.049 -5.537 4.628 1.00 97.31 C
+ATOM 268 OE1 GLU B 34 1.000 -5.158 5.349 1.00 97.31 O
+ATOM 269 OE2 GLU B 34 -1.085 -5.803 5.083 1.00 97.31 O
+ATOM 270 N LEU B 35 -2.847 -6.789 -0.045 1.00 98.31 N
+ATOM 271 CA LEU B 35 -3.994 -7.564 -0.506 1.00 98.31 C
+ATOM 272 C LEU B 35 -3.877 -7.875 -1.994 1.00 98.31 C
+ATOM 273 CB LEU B 35 -5.297 -6.807 -0.232 1.00 98.31 C
+ATOM 274 O LEU B 35 -3.984 -9.035 -2.400 1.00 98.31 O
+ATOM 275 CG LEU B 35 -5.648 -6.573 1.238 1.00 98.31 C
+ATOM 276 CD1 LEU B 35 -6.800 -5.580 1.356 1.00 98.31 C
+ATOM 277 CD2 LEU B 35 -6.000 -7.890 1.921 1.00 98.31 C
+ATOM 278 N CYS B 36 -3.599 -6.907 -2.733 1.00 98.78 N
+ATOM 279 CA CYS B 36 -3.684 -7.016 -4.185 1.00 98.78 C
+ATOM 280 C CYS B 36 -2.482 -7.766 -4.747 1.00 98.78 C
+ATOM 281 CB CYS B 36 -3.776 -5.630 -4.823 1.00 98.78 C
+ATOM 282 O CYS B 36 -2.603 -8.485 -5.741 1.00 98.78 O
+ATOM 283 SG CYS B 36 -5.266 -4.717 -4.368 1.00 98.78 S
+ATOM 284 N TRP B 37 -1.318 -7.660 -4.124 1.00 98.39 N
+ATOM 285 CA TRP B 37 -0.132 -8.388 -4.563 1.00 98.39 C
+ATOM 286 C TRP B 37 -0.393 -9.890 -4.586 1.00 98.39 C
+ATOM 287 CB TRP B 37 1.059 -8.077 -3.652 1.00 98.39 C
+ATOM 288 O TRP B 37 -0.144 -10.555 -5.595 1.00 98.39 O
+ATOM 289 CG TRP B 37 2.295 -8.860 -3.977 1.00 98.39 C
+ATOM 290 CD1 TRP B 37 2.684 -10.051 -3.429 1.00 98.39 C
+ATOM 291 CD2 TRP B 37 3.308 -8.504 -4.923 1.00 98.39 C
+ATOM 292 CE2 TRP B 37 4.282 -9.527 -4.897 1.00 98.39 C
+ATOM 293 CE3 TRP B 37 3.486 -7.419 -5.791 1.00 98.39 C
+ATOM 294 NE1 TRP B 37 3.878 -10.457 -3.978 1.00 98.39 N
+ATOM 295 CH2 TRP B 37 5.569 -8.422 -6.548 1.00 98.39 C
+ATOM 296 CZ2 TRP B 37 5.419 -9.495 -5.708 1.00 98.39 C
+ATOM 297 CZ3 TRP B 37 4.618 -7.390 -6.597 1.00 98.39 C
+ATOM 298 N ASP B 38 -0.931 -10.403 -3.573 1.00 96.19 N
+ATOM 299 CA ASP B 38 -1.173 -11.836 -3.445 1.00 96.19 C
+ATOM 300 C ASP B 38 -2.265 -12.296 -4.408 1.00 96.19 C
+ATOM 301 CB ASP B 38 -1.558 -12.189 -2.006 1.00 96.19 C
+ATOM 302 O ASP B 38 -2.207 -13.409 -4.935 1.00 96.19 O
+ATOM 303 CG ASP B 38 -0.385 -12.117 -1.045 1.00 96.19 C
+ATOM 304 OD1 ASP B 38 0.779 -12.118 -1.501 1.00 96.19 O
+ATOM 305 OD2 ASP B 38 -0.626 -12.062 0.181 1.00 96.19 O
+ATOM 306 N LYS B 39 -3.116 -11.478 -4.692 1.00 97.86 N
+ATOM 307 CA LYS B 39 -4.246 -11.841 -5.542 1.00 97.86 C
+ATOM 308 C LYS B 39 -3.873 -11.756 -7.019 1.00 97.86 C
+ATOM 309 CB LYS B 39 -5.447 -10.940 -5.253 1.00 97.86 C
+ATOM 310 O LYS B 39 -4.381 -12.524 -7.839 1.00 97.86 O
+ATOM 311 CG LYS B 39 -6.323 -11.424 -4.106 1.00 97.86 C
+ATOM 312 CD LYS B 39 -7.543 -10.531 -3.919 1.00 97.86 C
+ATOM 313 CE LYS B 39 -8.305 -10.884 -2.649 1.00 97.86 C
+ATOM 314 NZ LYS B 39 -9.183 -12.076 -2.843 1.00 97.86 N
+ATOM 315 N CYS B 40 -3.018 -10.893 -7.305 1.00 98.46 N
+ATOM 316 CA CYS B 40 -2.875 -10.564 -8.719 1.00 98.46 C
+ATOM 317 C CYS B 40 -1.506 -10.984 -9.241 1.00 98.46 C
+ATOM 318 CB CYS B 40 -3.079 -9.066 -8.944 1.00 98.46 C
+ATOM 319 O CYS B 40 -1.329 -11.180 -10.444 1.00 98.46 O
+ATOM 320 SG CYS B 40 -4.741 -8.489 -8.536 1.00 98.46 S
+ATOM 321 N VAL B 41 -0.455 -11.037 -8.365 1.00 97.38 N
+ATOM 322 CA VAL B 41 0.897 -11.321 -8.833 1.00 97.38 C
+ATOM 323 C VAL B 41 1.272 -12.761 -8.489 1.00 97.38 C
+ATOM 324 CB VAL B 41 1.926 -10.343 -8.221 1.00 97.38 C
+ATOM 325 O VAL B 41 1.556 -13.076 -7.331 1.00 97.38 O
+ATOM 326 CG1 VAL B 41 3.325 -10.621 -8.767 1.00 97.38 C
+ATOM 327 CG2 VAL B 41 1.517 -8.898 -8.500 1.00 97.38 C
+ATOM 328 N GLU B 42 1.386 -13.588 -9.521 1.00 93.06 N
+ATOM 329 CA GLU B 42 1.711 -14.994 -9.304 1.00 93.06 C
+ATOM 330 C GLU B 42 3.221 -15.210 -9.261 1.00 93.06 C
+ATOM 331 CB GLU B 42 1.086 -15.866 -10.397 1.00 93.06 C
+ATOM 332 O GLU B 42 3.739 -15.822 -8.324 1.00 93.06 O
+ATOM 333 CG GLU B 42 1.159 -17.358 -10.110 1.00 93.06 C
+ATOM 334 CD GLU B 42 0.412 -18.203 -11.129 1.00 93.06 C
+ATOM 335 OE1 GLU B 42 0.426 -19.449 -11.012 1.00 93.06 O
+ATOM 336 OE2 GLU B 42 -0.191 -17.613 -12.054 1.00 93.06 O
+ATOM 337 N LYS B 43 3.946 -14.840 -10.170 1.00 91.46 N
+ATOM 338 CA LYS B 43 5.399 -14.940 -10.267 1.00 91.46 C
+ATOM 339 C LYS B 43 5.998 -13.673 -10.870 1.00 91.46 C
+ATOM 340 CB LYS B 43 5.799 -16.157 -11.103 1.00 91.46 C
+ATOM 341 O LYS B 43 5.490 -13.152 -11.865 1.00 91.46 O
+ATOM 342 CG LYS B 43 5.593 -17.489 -10.395 1.00 91.46 C
+ATOM 343 CD LYS B 43 6.118 -18.651 -11.228 1.00 91.46 C
+ATOM 344 CE LYS B 43 5.990 -19.974 -10.485 1.00 91.46 C
+ATOM 345 NZ LYS B 43 5.510 -21.069 -11.382 1.00 91.46 N
+ATOM 346 N PRO B 44 7.094 -13.337 -10.202 1.00 91.39 N
+ATOM 347 CA PRO B 44 7.736 -12.146 -10.763 1.00 91.39 C
+ATOM 348 C PRO B 44 8.408 -12.416 -12.108 1.00 91.39 C
+ATOM 349 CB PRO B 44 8.773 -11.771 -9.701 1.00 91.39 C
+ATOM 350 O PRO B 44 9.214 -13.342 -12.224 1.00 91.39 O
+ATOM 351 CG PRO B 44 8.973 -13.020 -8.905 1.00 91.39 C
+ATOM 352 CD PRO B 44 7.768 -13.898 -9.083 1.00 91.39 C
+ATOM 353 N GLY B 45 7.935 -11.667 -13.203 1.00 91.10 N
+ATOM 354 CA GLY B 45 8.499 -11.821 -14.535 1.00 91.10 C
+ATOM 355 C GLY B 45 9.357 -10.645 -14.959 1.00 91.10 C
+ATOM 356 O GLY B 45 9.815 -9.869 -14.119 1.00 91.10 O
+ATOM 357 N ASN B 46 9.684 -10.639 -16.193 1.00 93.15 N
+ATOM 358 CA ASN B 46 10.572 -9.621 -16.743 1.00 93.15 C
+ATOM 359 C ASN B 46 9.893 -8.255 -16.799 1.00 93.15 C
+ATOM 360 CB ASN B 46 11.058 -10.029 -18.135 1.00 93.15 C
+ATOM 361 O ASN B 46 10.565 -7.222 -16.780 1.00 93.15 O
+ATOM 362 CG ASN B 46 12.259 -9.224 -18.594 1.00 93.15 C
+ATOM 363 ND2 ASN B 46 12.158 -8.630 -19.777 1.00 93.15 N
+ATOM 364 OD1 ASN B 46 13.269 -9.139 -17.891 1.00 93.15 O
+ATOM 365 N ARG B 47 8.561 -8.366 -16.863 1.00 94.72 N
+ATOM 366 CA ARG B 47 7.775 -7.136 -16.867 1.00 94.72 C
+ATOM 367 C ARG B 47 6.407 -7.358 -16.230 1.00 94.72 C
+ATOM 368 CB ARG B 47 7.610 -6.608 -18.293 1.00 94.72 C
+ATOM 369 O ARG B 47 5.961 -8.498 -16.087 1.00 94.72 O
+ATOM 370 CG ARG B 47 6.898 -7.572 -19.229 1.00 94.72 C
+ATOM 371 CD ARG B 47 6.821 -7.028 -20.648 1.00 94.72 C
+ATOM 372 NE ARG B 47 6.094 -7.933 -21.534 1.00 94.72 N
+ATOM 373 NH1 ARG B 47 4.450 -6.406 -22.084 1.00 94.72 N
+ATOM 374 NH2 ARG B 47 4.404 -8.518 -22.975 1.00 94.72 N
+ATOM 375 CZ ARG B 47 4.984 -7.617 -22.195 1.00 94.72 C
+ATOM 376 N LEU B 48 5.890 -6.273 -15.775 1.00 96.15 N
+ATOM 377 CA LEU B 48 4.498 -6.327 -15.341 1.00 96.15 C
+ATOM 378 C LEU B 48 3.554 -6.322 -16.538 1.00 96.15 C
+ATOM 379 CB LEU B 48 4.178 -5.148 -14.418 1.00 96.15 C
+ATOM 380 O LEU B 48 3.301 -5.270 -17.130 1.00 96.15 O
+ATOM 381 CG LEU B 48 2.881 -5.250 -13.613 1.00 96.15 C
+ATOM 382 CD1 LEU B 48 2.997 -6.345 -12.558 1.00 96.15 C
+ATOM 383 CD2 LEU B 48 2.546 -3.910 -12.967 1.00 96.15 C
+ATOM 384 N ASP B 49 2.930 -7.506 -16.794 1.00 95.29 N
+ATOM 385 CA ASP B 49 2.102 -7.610 -17.991 1.00 95.29 C
+ATOM 386 C ASP B 49 0.766 -6.896 -17.799 1.00 95.29 C
+ATOM 387 CB ASP B 49 1.867 -9.078 -18.355 1.00 95.29 C
+ATOM 388 O ASP B 49 0.370 -6.602 -16.669 1.00 95.29 O
+ATOM 389 CG ASP B 49 1.089 -9.835 -17.293 1.00 95.29 C
+ATOM 390 OD1 ASP B 49 -0.160 -9.830 -17.332 1.00 95.29 O
+ATOM 391 OD2 ASP B 49 1.732 -10.440 -16.408 1.00 95.29 O
+ATOM 392 N SER B 50 0.112 -6.625 -18.900 1.00 96.67 N
+ATOM 393 CA SER B 50 -1.110 -5.827 -18.916 1.00 96.67 C
+ATOM 394 C SER B 50 -2.213 -6.491 -18.099 1.00 96.67 C
+ATOM 395 CB SER B 50 -1.588 -5.607 -20.351 1.00 96.67 C
+ATOM 396 O SER B 50 -2.973 -5.812 -17.405 1.00 96.67 O
+ATOM 397 OG SER B 50 -2.710 -4.741 -20.380 1.00 96.67 O
+ATOM 398 N ARG B 51 -2.271 -7.817 -18.142 1.00 97.35 N
+ATOM 399 CA ARG B 51 -3.290 -8.556 -17.403 1.00 97.35 C
+ATOM 400 C ARG B 51 -3.133 -8.351 -15.900 1.00 97.35 C
+ATOM 401 CB ARG B 51 -3.223 -10.047 -17.738 1.00 97.35 C
+ATOM 402 O ARG B 51 -4.116 -8.116 -15.194 1.00 97.35 O
+ATOM 403 CG ARG B 51 -4.269 -10.887 -17.023 1.00 97.35 C
+ATOM 404 CD ARG B 51 -4.200 -12.350 -17.440 1.00 97.35 C
+ATOM 405 NE ARG B 51 -5.301 -13.125 -16.875 1.00 97.35 N
+ATOM 406 NH1 ARG B 51 -5.361 -14.676 -18.586 1.00 97.35 N
+ATOM 407 NH2 ARG B 51 -6.827 -14.840 -16.831 1.00 97.35 N
+ATOM 408 CZ ARG B 51 -5.827 -14.212 -17.432 1.00 97.35 C
+ATOM 409 N THR B 52 -1.889 -8.478 -15.422 1.00 98.10 N
+ATOM 410 CA THR B 52 -1.598 -8.291 -14.005 1.00 98.10 C
+ATOM 411 C THR B 52 -1.863 -6.848 -13.584 1.00 98.10 C
+ATOM 412 CB THR B 52 -0.139 -8.663 -13.680 1.00 98.10 C
+ATOM 413 O THR B 52 -2.419 -6.601 -12.512 1.00 98.10 O
+ATOM 414 CG2 THR B 52 0.140 -8.537 -12.186 1.00 98.10 C
+ATOM 415 OG1 THR B 52 0.105 -10.015 -14.089 1.00 98.10 O
+ATOM 416 N GLU B 53 -1.482 -5.882 -14.390 1.00 98.10 N
+ATOM 417 CA GLU B 53 -1.734 -4.472 -14.108 1.00 98.10 C
+ATOM 418 C GLU B 53 -3.228 -4.197 -13.965 1.00 98.10 C
+ATOM 419 CB GLU B 53 -1.139 -3.589 -15.207 1.00 98.10 C
+ATOM 420 O GLU B 53 -3.648 -3.481 -13.053 1.00 98.10 O
+ATOM 421 CG GLU B 53 -1.161 -2.102 -14.881 1.00 98.10 C
+ATOM 422 CD GLU B 53 -0.435 -1.251 -15.910 1.00 98.10 C
+ATOM 423 OE1 GLU B 53 -0.399 -0.009 -15.754 1.00 98.10 O
+ATOM 424 OE2 GLU B 53 0.101 -1.830 -16.881 1.00 98.10 O
+ATOM 425 N ASN B 54 -3.978 -4.769 -14.887 1.00 98.58 N
+ATOM 426 CA ASN B 54 -5.425 -4.595 -14.809 1.00 98.58 C
+ATOM 427 C ASN B 54 -6.000 -5.239 -13.551 1.00 98.58 C
+ATOM 428 CB ASN B 54 -6.102 -5.168 -16.056 1.00 98.58 C
+ATOM 429 O ASN B 54 -6.905 -4.686 -12.924 1.00 98.58 O
+ATOM 430 CG ASN B 54 -5.831 -4.344 -17.299 1.00 98.58 C
+ATOM 431 ND2 ASN B 54 -5.875 -4.988 -18.459 1.00 98.58 N
+ATOM 432 OD1 ASN B 54 -5.583 -3.138 -17.217 1.00 98.58 O
+ATOM 433 N CYS B 55 -5.508 -6.415 -13.256 1.00 98.83 N
+ATOM 434 CA CYS B 55 -5.935 -7.089 -12.035 1.00 98.83 C
+ATOM 435 C CYS B 55 -5.663 -6.223 -10.810 1.00 98.83 C
+ATOM 436 CB CYS B 55 -5.224 -8.434 -11.887 1.00 98.83 C
+ATOM 437 O CYS B 55 -6.533 -6.062 -9.953 1.00 98.83 O
+ATOM 438 SG CYS B 55 -5.645 -9.317 -10.369 1.00 98.83 S
+ATOM 439 N LEU B 56 -4.487 -5.615 -10.730 1.00 98.87 N
+ATOM 440 CA LEU B 56 -4.102 -4.772 -9.603 1.00 98.87 C
+ATOM 441 C LEU B 56 -5.022 -3.561 -9.490 1.00 98.87 C
+ATOM 442 CB LEU B 56 -2.649 -4.312 -9.750 1.00 98.87 C
+ATOM 443 O LEU B 56 -5.494 -3.234 -8.399 1.00 98.87 O
+ATOM 444 CG LEU B 56 -1.575 -5.379 -9.535 1.00 98.87 C
+ATOM 445 CD1 LEU B 56 -0.225 -4.882 -10.040 1.00 98.87 C
+ATOM 446 CD2 LEU B 56 -1.491 -5.765 -8.061 1.00 98.87 C
+ATOM 447 N SER B 57 -5.262 -2.912 -10.587 1.00 98.80 N
+ATOM 448 CA SER B 57 -6.150 -1.754 -10.587 1.00 98.80 C
+ATOM 449 C SER B 57 -7.558 -2.137 -10.145 1.00 98.80 C
+ATOM 450 CB SER B 57 -6.198 -1.116 -11.976 1.00 98.80 C
+ATOM 451 O SER B 57 -8.165 -1.450 -9.321 1.00 98.80 O
+ATOM 452 OG SER B 57 -4.920 -0.632 -12.352 1.00 98.80 O
+ATOM 453 N SER B 58 -8.039 -3.245 -10.689 1.00 98.84 N
+ATOM 454 CA SER B 58 -9.374 -3.707 -10.319 1.00 98.84 C
+ATOM 455 C SER B 58 -9.432 -4.110 -8.850 1.00 98.84 C
+ATOM 456 CB SER B 58 -9.796 -4.885 -11.197 1.00 98.84 C
+ATOM 457 O SER B 58 -10.452 -3.912 -8.186 1.00 98.84 O
+ATOM 458 OG SER B 58 -9.945 -4.480 -12.547 1.00 98.84 O
+ATOM 459 N CYS B 59 -8.406 -4.734 -8.381 1.00 98.87 N
+ATOM 460 CA CYS B 59 -8.315 -5.152 -6.987 1.00 98.87 C
+ATOM 461 C CYS B 59 -8.520 -3.969 -6.048 1.00 98.87 C
+ATOM 462 CB CYS B 59 -6.961 -5.805 -6.710 1.00 98.87 C
+ATOM 463 O CYS B 59 -9.296 -4.055 -5.095 1.00 98.87 O
+ATOM 464 SG CYS B 59 -6.753 -6.354 -5.002 1.00 98.87 S
+ATOM 465 N VAL B 60 -7.924 -2.864 -6.335 1.00 98.82 N
+ATOM 466 CA VAL B 60 -8.066 -1.659 -5.524 1.00 98.82 C
+ATOM 467 C VAL B 60 -9.525 -1.209 -5.518 1.00 98.82 C
+ATOM 468 CB VAL B 60 -7.158 -0.519 -6.038 1.00 98.82 C
+ATOM 469 O VAL B 60 -10.115 -1.008 -4.454 1.00 98.82 O
+ATOM 470 CG1 VAL B 60 -7.441 0.778 -5.283 1.00 98.82 C
+ATOM 471 CG2 VAL B 60 -5.687 -0.908 -5.906 1.00 98.82 C
+ATOM 472 N ASP B 61 -10.125 -1.124 -6.687 1.00 98.64 N
+ATOM 473 CA ASP B 61 -11.502 -0.658 -6.824 1.00 98.64 C
+ATOM 474 C ASP B 61 -12.467 -1.568 -6.067 1.00 98.64 C
+ATOM 475 CB ASP B 61 -11.899 -0.582 -8.299 1.00 98.64 C
+ATOM 476 O ASP B 61 -13.333 -1.089 -5.332 1.00 98.64 O
+ATOM 477 CG ASP B 61 -11.285 0.606 -9.018 1.00 98.64 C
+ATOM 478 OD1 ASP B 61 -11.027 1.644 -8.371 1.00 98.64 O
+ATOM 479 OD2 ASP B 61 -11.060 0.505 -10.244 1.00 98.64 O
+ATOM 480 N ARG B 62 -12.213 -2.790 -6.218 1.00 98.70 N
+ATOM 481 CA ARG B 62 -13.148 -3.739 -5.622 1.00 98.70 C
+ATOM 482 C ARG B 62 -13.010 -3.763 -4.104 1.00 98.70 C
+ATOM 483 CB ARG B 62 -12.927 -5.142 -6.191 1.00 98.70 C
+ATOM 484 O ARG B 62 -13.990 -3.986 -3.390 1.00 98.70 O
+ATOM 485 CG ARG B 62 -13.387 -5.302 -7.631 1.00 98.70 C
+ATOM 486 CD ARG B 62 -14.890 -5.104 -7.769 1.00 98.70 C
+ATOM 487 NE ARG B 62 -15.231 -3.701 -7.985 1.00 98.70 N
+ATOM 488 NH1 ARG B 62 -15.690 -3.946 -10.236 1.00 98.70 N
+ATOM 489 NH2 ARG B 62 -15.892 -1.893 -9.237 1.00 98.70 N
+ATOM 490 CZ ARG B 62 -15.603 -3.183 -9.153 1.00 98.70 C
+ATOM 491 N PHE B 63 -11.797 -3.535 -3.628 1.00 98.67 N
+ATOM 492 CA PHE B 63 -11.644 -3.458 -2.180 1.00 98.67 C
+ATOM 493 C PHE B 63 -12.423 -2.276 -1.615 1.00 98.67 C
+ATOM 494 CB PHE B 63 -10.165 -3.342 -1.799 1.00 98.67 C
+ATOM 495 O PHE B 63 -13.093 -2.401 -0.589 1.00 98.67 O
+ATOM 496 CG PHE B 63 -9.917 -3.361 -0.315 1.00 98.67 C
+ATOM 497 CD1 PHE B 63 -9.741 -2.176 0.389 1.00 98.67 C
+ATOM 498 CD2 PHE B 63 -9.859 -4.564 0.376 1.00 98.67 C
+ATOM 499 CE1 PHE B 63 -9.511 -2.189 1.763 1.00 98.67 C
+ATOM 500 CE2 PHE B 63 -9.629 -4.585 1.749 1.00 98.67 C
+ATOM 501 CZ PHE B 63 -9.455 -3.397 2.440 1.00 98.67 C
+ATOM 502 N ILE B 64 -12.306 -1.184 -2.256 1.00 98.17 N
+ATOM 503 CA ILE B 64 -13.021 0.002 -1.798 1.00 98.17 C
+ATOM 504 C ILE B 64 -14.527 -0.239 -1.880 1.00 98.17 C
+ATOM 505 CB ILE B 64 -12.633 1.250 -2.622 1.00 98.17 C
+ATOM 506 O ILE B 64 -15.264 0.077 -0.943 1.00 98.17 O
+ATOM 507 CG1 ILE B 64 -11.152 1.587 -2.414 1.00 98.17 C
+ATOM 508 CG2 ILE B 64 -13.523 2.440 -2.253 1.00 98.17 C
+ATOM 509 CD1 ILE B 64 -10.635 2.693 -3.324 1.00 98.17 C
+ATOM 510 N ASP B 65 -14.964 -0.866 -2.960 1.00 98.31 N
+ATOM 511 CA ASP B 65 -16.378 -1.203 -3.096 1.00 98.31 C
+ATOM 512 C ASP B 65 -16.835 -2.123 -1.967 1.00 98.31 C
+ATOM 513 CB ASP B 65 -16.644 -1.861 -4.452 1.00 98.31 C
+ATOM 514 O ASP B 65 -17.928 -1.951 -1.423 1.00 98.31 O
+ATOM 515 CG ASP B 65 -16.512 -0.895 -5.616 1.00 98.31 C
+ATOM 516 OD1 ASP B 65 -16.508 0.334 -5.392 1.00 98.31 O
+ATOM 517 OD2 ASP B 65 -16.414 -1.368 -6.769 1.00 98.31 O
+ATOM 518 N THR B 66 -16.035 -3.042 -1.716 1.00 98.60 N
+ATOM 519 CA THR B 66 -16.358 -3.994 -0.659 1.00 98.60 C
+ATOM 520 C THR B 66 -16.478 -3.288 0.688 1.00 98.60 C
+ATOM 521 CB THR B 66 -15.298 -5.107 -0.566 1.00 98.60 C
+ATOM 522 O THR B 66 -17.425 -3.528 1.439 1.00 98.60 O
+ATOM 523 CG2 THR B 66 -15.616 -6.077 0.567 1.00 98.60 C
+ATOM 524 OG1 THR B 66 -15.263 -5.830 -1.803 1.00 98.60 O
+ATOM 525 N THR B 67 -15.533 -2.373 0.983 1.00 97.83 N
+ATOM 526 CA THR B 67 -15.560 -1.625 2.234 1.00 97.83 C
+ATOM 527 C THR B 67 -16.838 -0.797 2.342 1.00 97.83 C
+ATOM 528 CB THR B 67 -14.335 -0.701 2.360 1.00 97.83 C
+ATOM 529 O THR B 67 -17.486 -0.779 3.390 1.00 97.83 O
+ATOM 530 CG2 THR B 67 -14.378 0.096 3.660 1.00 97.83 C
+ATOM 531 OG1 THR B 67 -13.141 -1.494 2.339 1.00 97.83 O
+ATOM 532 N LEU B 68 -17.265 -0.144 1.298 1.00 97.24 N
+ATOM 533 CA LEU B 68 -18.465 0.685 1.290 1.00 97.24 C
+ATOM 534 C LEU B 68 -19.717 -0.168 1.462 1.00 97.24 C
+ATOM 535 CB LEU B 68 -18.554 1.487 -0.011 1.00 97.24 C
+ATOM 536 O LEU B 68 -20.644 0.219 2.178 1.00 97.24 O
+ATOM 537 CG LEU B 68 -17.528 2.607 -0.189 1.00 97.24 C
+ATOM 538 CD1 LEU B 68 -17.655 3.226 -1.577 1.00 97.24 C
+ATOM 539 CD2 LEU B 68 -17.700 3.667 0.893 1.00 97.24 C
+ATOM 540 N ALA B 69 -19.696 -1.347 0.813 1.00 98.28 N
+ATOM 541 CA ALA B 69 -20.843 -2.244 0.924 1.00 98.28 C
+ATOM 542 C ALA B 69 -21.021 -2.733 2.358 1.00 98.28 C
+ATOM 543 CB ALA B 69 -20.684 -3.431 -0.024 1.00 98.28 C
+ATOM 544 O ALA B 69 -22.139 -2.759 2.878 1.00 98.28 O
+ATOM 545 N ILE B 70 -20.002 -3.063 2.967 1.00 98.29 N
+ATOM 546 CA ILE B 70 -20.047 -3.571 4.334 1.00 98.29 C
+ATOM 547 C ILE B 70 -20.454 -2.450 5.288 1.00 98.29 C
+ATOM 548 CB ILE B 70 -18.688 -4.170 4.759 1.00 98.29 C
+ATOM 549 O ILE B 70 -21.285 -2.654 6.176 1.00 98.29 O
+ATOM 550 CG1 ILE B 70 -18.424 -5.481 4.010 1.00 98.29 C
+ATOM 551 CG2 ILE B 70 -18.644 -4.387 6.275 1.00 98.29 C
+ATOM 552 CD1 ILE B 70 -17.040 -6.067 4.256 1.00 98.29 C
+ATOM 553 N THR B 71 -19.823 -1.302 5.111 1.00 97.33 N
+ATOM 554 CA THR B 71 -20.157 -0.162 5.957 1.00 97.33 C
+ATOM 555 C THR B 71 -21.638 0.184 5.838 1.00 97.33 C
+ATOM 556 CB THR B 71 -19.308 1.071 5.592 1.00 97.33 C
+ATOM 557 O THR B 71 -22.301 0.450 6.843 1.00 97.33 O
+ATOM 558 CG2 THR B 71 -19.660 2.262 6.478 1.00 97.33 C
+ATOM 559 OG1 THR B 71 -17.921 0.756 5.763 1.00 97.33 O
+ATOM 560 N SER B 72 -22.186 0.166 4.681 1.00 96.65 N
+ATOM 561 CA SER B 72 -23.599 0.447 4.448 1.00 96.65 C
+ATOM 562 C SER B 72 -24.488 -0.596 5.118 1.00 96.65 C
+ATOM 563 CB SER B 72 -23.897 0.496 2.949 1.00 96.65 C
+ATOM 564 O SER B 72 -25.495 -0.254 5.741 1.00 96.65 O
+ATOM 565 OG SER B 72 -25.280 0.704 2.717 1.00 96.65 O
+ATOM 566 N ARG B 73 -24.110 -1.788 4.967 1.00 97.25 N
+ATOM 567 CA ARG B 73 -24.883 -2.853 5.599 1.00 97.25 C
+ATOM 568 C ARG B 73 -24.854 -2.723 7.118 1.00 97.25 C
+ATOM 569 CB ARG B 73 -24.352 -4.225 5.180 1.00 97.25 C
+ATOM 570 O ARG B 73 -25.879 -2.896 7.781 1.00 97.25 O
+ATOM 571 CG ARG B 73 -25.140 -5.392 5.753 1.00 97.25 C
+ATOM 572 CD ARG B 73 -24.679 -6.723 5.174 1.00 97.25 C
+ATOM 573 NE ARG B 73 -25.490 -7.833 5.664 1.00 97.25 N
+ATOM 574 NH1 ARG B 73 -24.007 -8.455 7.322 1.00 97.25 N
+ATOM 575 NH2 ARG B 73 -25.965 -9.612 7.036 1.00 97.25 N
+ATOM 576 CZ ARG B 73 -25.152 -8.631 6.673 1.00 97.25 C
+ATOM 577 N PHE B 74 -23.709 -2.429 7.643 1.00 96.81 N
+ATOM 578 CA PHE B 74 -23.574 -2.245 9.083 1.00 96.81 C
+ATOM 579 C PHE B 74 -24.478 -1.121 9.572 1.00 96.81 C
+ATOM 580 CB PHE B 74 -22.117 -1.947 9.453 1.00 96.81 C
+ATOM 581 O PHE B 74 -25.144 -1.256 10.601 1.00 96.81 O
+ATOM 582 CG PHE B 74 -21.883 -1.811 10.933 1.00 96.81 C
+ATOM 583 CD1 PHE B 74 -21.668 -0.563 11.505 1.00 96.81 C
+ATOM 584 CD2 PHE B 74 -21.878 -2.932 11.753 1.00 96.81 C
+ATOM 585 CE1 PHE B 74 -21.451 -0.434 12.875 1.00 96.81 C
+ATOM 586 CE2 PHE B 74 -21.662 -2.811 13.123 1.00 96.81 C
+ATOM 587 CZ PHE B 74 -21.447 -1.562 13.682 1.00 96.81 C
+ATOM 588 N ALA B 75 -24.547 -0.072 8.877 1.00 96.09 N
+ATOM 589 CA ALA B 75 -25.405 1.055 9.231 1.00 96.09 C
+ATOM 590 C ALA B 75 -26.876 0.650 9.220 1.00 96.09 C
+ATOM 591 CB ALA B 75 -25.170 2.223 8.276 1.00 96.09 C
+ATOM 592 O ALA B 75 -27.652 1.084 10.074 1.00 96.09 O
+ATOM 593 N GLN B 76 -27.307 -0.209 8.311 1.00 95.32 N
+ATOM 594 CA GLN B 76 -28.683 -0.685 8.209 1.00 95.32 C
+ATOM 595 C GLN B 76 -29.056 -1.550 9.409 1.00 95.32 C
+ATOM 596 CB GLN B 76 -28.885 -1.469 6.912 1.00 95.32 C
+ATOM 597 O GLN B 76 -30.159 -1.433 9.946 1.00 95.32 O
+ATOM 598 CG GLN B 76 -28.868 -0.603 5.660 1.00 95.32 C
+ATOM 599 CD GLN B 76 -28.869 -1.419 4.381 1.00 95.32 C
+ATOM 600 NE2 GLN B 76 -28.796 -0.738 3.243 1.00 95.32 N
+ATOM 601 OE1 GLN B 76 -28.933 -2.652 4.416 1.00 95.32 O
+ATOM 602 N ILE B 77 -28.156 -2.286 9.863 1.00 95.48 N
+ATOM 603 CA ILE B 77 -28.395 -3.190 10.982 1.00 95.48 C
+ATOM 604 C ILE B 77 -28.522 -2.388 12.275 1.00 95.48 C
+ATOM 605 CB ILE B 77 -27.270 -4.241 11.112 1.00 95.48 C
+ATOM 606 O ILE B 77 -29.372 -2.687 13.118 1.00 95.48 O
+ATOM 607 CG1 ILE B 77 -27.339 -5.243 9.954 1.00 95.48 C
+ATOM 608 CG2 ILE B 77 -27.353 -4.957 12.463 1.00 95.48 C
+ATOM 609 CD1 ILE B 77 -26.137 -6.173 9.868 1.00 95.48 C
+ATOM 610 N VAL B 78 -27.743 -1.462 12.412 1.00 94.86 N
+ATOM 611 CA VAL B 78 -27.761 -0.642 13.619 1.00 94.86 C
+ATOM 612 C VAL B 78 -29.038 0.194 13.657 1.00 94.86 C
+ATOM 613 CB VAL B 78 -26.521 0.276 13.699 1.00 94.86 C
+ATOM 614 O VAL B 78 -29.632 0.384 14.721 1.00 94.86 O
+ATOM 615 CG1 VAL B 78 -26.690 1.316 14.805 1.00 94.86 C
+ATOM 616 CG2 VAL B 78 -25.259 -0.553 13.930 1.00 94.86 C
+ATOM 617 N GLN B 79 -29.521 0.579 12.549 1.00 92.95 N
+ATOM 618 CA GLN B 79 -30.739 1.377 12.460 1.00 92.95 C
+ATOM 619 C GLN B 79 -31.977 0.523 12.720 1.00 92.95 C
+ATOM 620 CB GLN B 79 -30.843 2.047 11.089 1.00 92.95 C
+ATOM 621 O GLN B 79 -32.928 0.978 13.359 1.00 92.95 O
+ATOM 622 CG GLN B 79 -29.879 3.210 10.898 1.00 92.95 C
+ATOM 623 CD GLN B 79 -29.997 3.852 9.529 1.00 92.95 C
+ATOM 624 NE2 GLN B 79 -29.304 4.970 9.336 1.00 92.95 N
+ATOM 625 OE1 GLN B 79 -30.704 3.347 8.651 1.00 92.95 O
+ATOM 626 N LYS B 80 -31.870 -0.718 12.295 1.00 92.43 N
+ATOM 627 CA LYS B 80 -32.994 -1.629 12.493 1.00 92.43 C
+ATOM 628 C LYS B 80 -33.032 -2.152 13.926 1.00 92.43 C
+ATOM 629 CB LYS B 80 -32.916 -2.799 11.511 1.00 92.43 C
+ATOM 630 O LYS B 80 -34.105 -2.443 14.458 1.00 92.43 O
+ATOM 631 CG LYS B 80 -33.272 -2.429 10.078 1.00 92.43 C
+ATOM 632 CD LYS B 80 -33.295 -3.655 9.174 1.00 92.43 C
+ATOM 633 CE LYS B 80 -33.684 -3.291 7.747 1.00 92.43 C
+ATOM 634 NZ LYS B 80 -33.672 -4.483 6.848 1.00 92.43 N
+ATOM 635 N GLY B 81 -31.917 -2.452 14.482 1.00 81.84 N
+ATOM 636 CA GLY B 81 -31.835 -2.932 15.852 1.00 81.84 C
+ATOM 637 C GLY B 81 -32.159 -1.864 16.880 1.00 81.84 C
+ATOM 638 O GLY B 81 -32.549 -2.176 18.006 1.00 81.84 O
+ATOM 639 N GLY B 82 -32.065 -0.672 16.674 1.00 76.22 N
+ATOM 640 CA GLY B 82 -32.418 0.444 17.536 1.00 76.22 C
+ATOM 641 C GLY B 82 -33.880 0.838 17.435 1.00 76.22 C
+ATOM 642 O GLY B 82 -34.371 1.633 18.238 1.00 76.22 O
+ATOM 643 N GLN B 83 -34.662 0.199 16.583 1.00 60.35 N
+ATOM 644 CA GLN B 83 -36.117 0.302 16.553 1.00 60.35 C
+ATOM 645 C GLN B 83 -36.769 -0.906 17.219 1.00 60.35 C
+ATOM 646 CB GLN B 83 -36.616 0.440 15.114 1.00 60.35 C
+ATOM 647 O GLN B 83 -37.805 -0.777 17.874 1.00 60.35 O
+ATOM 648 CG GLN B 83 -36.419 1.831 14.526 1.00 60.35 C
+ATOM 649 CD GLN B 83 -36.958 1.952 13.112 1.00 60.35 C
+ATOM 650 NE2 GLN B 83 -36.346 2.824 12.318 1.00 60.35 N
+ATOM 651 OE1 GLN B 83 -37.915 1.267 12.738 1.00 60.35 O
+TER 652 GLN B 83
+ATOM 653 N MET C 1 50.040 32.393 35.390 1.00 28.57 N
+ATOM 654 CA MET C 1 49.521 31.790 36.614 1.00 28.57 C
+ATOM 655 C MET C 1 48.376 32.619 37.186 1.00 28.57 C
+ATOM 656 CB MET C 1 50.632 31.645 37.655 1.00 28.57 C
+ATOM 657 O MET C 1 47.433 32.071 37.759 1.00 28.57 O
+ATOM 658 CG MET C 1 50.733 30.251 38.253 1.00 28.57 C
+ATOM 659 SD MET C 1 52.198 30.058 39.341 1.00 28.57 S
+ATOM 660 CE MET C 1 51.684 28.617 40.317 1.00 28.57 C
+ATOM 661 N GLU C 2 48.540 33.870 37.053 1.00 35.42 N
+ATOM 662 CA GLU C 2 47.501 34.894 37.106 1.00 35.42 C
+ATOM 663 C GLU C 2 46.554 34.783 35.915 1.00 35.42 C
+ATOM 664 CB GLU C 2 48.124 36.291 37.154 1.00 35.42 C
+ATOM 665 O GLU C 2 45.932 35.769 35.515 1.00 35.42 O
+ATOM 666 CG GLU C 2 47.783 37.074 38.414 1.00 35.42 C
+ATOM 667 CD GLU C 2 48.552 38.380 38.535 1.00 35.42 C
+ATOM 668 OE1 GLU C 2 47.992 39.448 38.199 1.00 35.42 O
+ATOM 669 OE2 GLU C 2 49.725 38.335 38.969 1.00 35.42 O
+ATOM 670 N GLY C 3 46.387 33.521 35.322 1.00 37.54 N
+ATOM 671 CA GLY C 3 45.732 33.310 34.041 1.00 37.54 C
+ATOM 672 C GLY C 3 44.283 33.761 34.030 1.00 37.54 C
+ATOM 673 O GLY C 3 43.519 33.433 34.939 1.00 37.54 O
+ATOM 674 N GLY C 4 44.029 34.997 33.563 1.00 40.33 N
+ATOM 675 CA GLY C 4 42.765 35.682 33.349 1.00 40.33 C
+ATOM 676 C GLY C 4 41.770 34.863 32.548 1.00 40.33 C
+ATOM 677 O GLY C 4 41.979 34.613 31.359 1.00 40.33 O
+ATOM 678 N PHE C 5 41.158 33.722 33.132 1.00 44.33 N
+ATOM 679 CA PHE C 5 40.188 32.898 32.420 1.00 44.33 C
+ATOM 680 C PHE C 5 38.948 33.709 32.063 1.00 44.33 C
+ATOM 681 CB PHE C 5 39.794 31.681 33.262 1.00 44.33 C
+ATOM 682 O PHE C 5 38.163 34.073 32.941 1.00 44.33 O
+ATOM 683 CG PHE C 5 40.771 30.539 33.173 1.00 44.33 C
+ATOM 684 CD1 PHE C 5 40.695 29.622 32.132 1.00 44.33 C
+ATOM 685 CD2 PHE C 5 41.764 30.384 34.130 1.00 44.33 C
+ATOM 686 CE1 PHE C 5 41.598 28.564 32.047 1.00 44.33 C
+ATOM 687 CE2 PHE C 5 42.670 29.329 34.052 1.00 44.33 C
+ATOM 688 CZ PHE C 5 42.584 28.420 33.010 1.00 44.33 C
+ATOM 689 N GLY C 6 39.115 34.885 31.302 1.00 39.78 N
+ATOM 690 CA GLY C 6 37.972 35.638 30.811 1.00 39.78 C
+ATOM 691 C GLY C 6 36.925 34.766 30.144 1.00 39.78 C
+ATOM 692 O GLY C 6 37.233 34.022 29.210 1.00 39.78 O
+ATOM 693 N SER C 7 36.008 34.157 30.944 1.00 40.86 N
+ATOM 694 CA SER C 7 34.895 33.296 30.557 1.00 40.86 C
+ATOM 695 C SER C 7 33.972 33.998 29.566 1.00 40.86 C
+ATOM 696 CB SER C 7 34.099 32.863 31.788 1.00 40.86 C
+ATOM 697 O SER C 7 33.419 35.058 29.868 1.00 40.86 O
+ATOM 698 OG SER C 7 33.841 33.969 32.636 1.00 40.86 O
+ATOM 699 N ASP C 8 34.459 34.293 28.316 1.00 41.26 N
+ATOM 700 CA ASP C 8 33.621 34.839 27.254 1.00 41.26 C
+ATOM 701 C ASP C 8 32.408 33.948 26.998 1.00 41.26 C
+ATOM 702 CB ASP C 8 34.429 35.010 25.966 1.00 41.26 C
+ATOM 703 O ASP C 8 32.456 33.053 26.151 1.00 41.26 O
+ATOM 704 CG ASP C 8 34.901 36.437 25.746 1.00 41.26 C
+ATOM 705 OD1 ASP C 8 34.121 37.382 25.995 1.00 41.26 O
+ATOM 706 OD2 ASP C 8 36.062 36.618 25.319 1.00 41.26 O
+ATOM 707 N PHE C 9 31.814 33.359 28.090 1.00 41.45 N
+ATOM 708 CA PHE C 9 30.687 32.472 27.827 1.00 41.45 C
+ATOM 709 C PHE C 9 29.551 33.228 27.147 1.00 41.45 C
+ATOM 710 CB PHE C 9 30.188 31.833 29.127 1.00 41.45 C
+ATOM 711 O PHE C 9 28.449 32.697 26.994 1.00 41.45 O
+ATOM 712 CG PHE C 9 30.728 30.450 29.369 1.00 41.45 C
+ATOM 713 CD1 PHE C 9 30.101 29.338 28.820 1.00 41.45 C
+ATOM 714 CD2 PHE C 9 31.864 30.261 30.146 1.00 41.45 C
+ATOM 715 CE1 PHE C 9 30.598 28.056 29.043 1.00 41.45 C
+ATOM 716 CE2 PHE C 9 32.367 28.983 30.373 1.00 41.45 C
+ATOM 717 CZ PHE C 9 31.732 27.882 29.821 1.00 41.45 C
+ATOM 718 N GLY C 10 29.661 34.634 27.025 1.00 36.36 N
+ATOM 719 CA GLY C 10 28.377 35.295 26.852 1.00 36.36 C
+ATOM 720 C GLY C 10 27.659 34.880 25.582 1.00 36.36 C
+ATOM 721 O GLY C 10 26.644 35.475 25.214 1.00 36.36 O
+ATOM 722 N GLY C 11 28.351 34.408 24.528 1.00 39.73 N
+ATOM 723 CA GLY C 11 27.545 34.249 23.328 1.00 39.73 C
+ATOM 724 C GLY C 11 26.366 33.315 23.520 1.00 39.73 C
+ATOM 725 O GLY C 11 26.546 32.129 23.806 1.00 39.73 O
+ATOM 726 N SER C 12 25.401 33.576 24.408 1.00 40.23 N
+ATOM 727 CA SER C 12 24.090 32.936 24.457 1.00 40.23 C
+ATOM 728 C SER C 12 23.507 32.761 23.059 1.00 40.23 C
+ATOM 729 CB SER C 12 23.128 33.750 25.323 1.00 40.23 C
+ATOM 730 O SER C 12 23.195 33.745 22.384 1.00 40.23 O
+ATOM 731 OG SER C 12 23.152 35.118 24.951 1.00 40.23 O
+ATOM 732 N GLY C 13 24.093 32.117 22.122 1.00 39.14 N
+ATOM 733 CA GLY C 13 23.386 31.671 20.933 1.00 39.14 C
+ATOM 734 C GLY C 13 21.961 31.232 21.215 1.00 39.14 C
+ATOM 735 O GLY C 13 21.714 30.481 22.161 1.00 39.14 O
+ATOM 736 N SER C 14 20.927 32.074 21.222 1.00 42.15 N
+ATOM 737 CA SER C 14 19.519 31.719 21.075 1.00 42.15 C
+ATOM 738 C SER C 14 19.345 30.517 20.154 1.00 42.15 C
+ATOM 739 CB SER C 14 18.720 32.906 20.534 1.00 42.15 C
+ATOM 740 O SER C 14 19.736 30.561 18.986 1.00 42.15 O
+ATOM 741 OG SER C 14 17.343 32.587 20.445 1.00 42.15 O
+ATOM 742 N GLY C 15 19.570 29.442 20.510 1.00 44.56 N
+ATOM 743 CA GLY C 15 19.140 28.238 19.818 1.00 44.56 C
+ATOM 744 C GLY C 15 17.753 28.359 19.215 1.00 44.56 C
+ATOM 745 O GLY C 15 16.752 28.153 19.903 1.00 44.56 O
+ATOM 746 N LYS C 16 17.369 29.482 18.564 1.00 51.09 N
+ATOM 747 CA LYS C 16 16.088 29.469 17.863 1.00 51.09 C
+ATOM 748 C LYS C 16 15.926 28.196 17.038 1.00 51.09 C
+ATOM 749 CB LYS C 16 15.956 30.698 16.963 1.00 51.09 C
+ATOM 750 O LYS C 16 16.774 27.881 16.200 1.00 51.09 O
+ATOM 751 CG LYS C 16 15.163 31.838 17.584 1.00 51.09 C
+ATOM 752 CD LYS C 16 15.033 33.016 16.626 1.00 51.09 C
+ATOM 753 CE LYS C 16 13.606 33.544 16.578 1.00 51.09 C
+ATOM 754 NZ LYS C 16 13.543 35.000 16.904 1.00 51.09 N
+ATOM 755 N LEU C 17 15.546 27.116 17.604 1.00 57.77 N
+ATOM 756 CA LEU C 17 15.103 25.987 16.792 1.00 57.77 C
+ATOM 757 C LEU C 17 14.422 26.470 15.516 1.00 57.77 C
+ATOM 758 CB LEU C 17 14.147 25.096 17.589 1.00 57.77 C
+ATOM 759 O LEU C 17 13.444 27.219 15.574 1.00 57.77 O
+ATOM 760 CG LEU C 17 14.750 24.351 18.781 1.00 57.77 C
+ATOM 761 CD1 LEU C 17 13.652 23.667 19.589 1.00 57.77 C
+ATOM 762 CD2 LEU C 17 15.786 23.336 18.311 1.00 57.77 C
+ATOM 763 N ASP C 18 15.245 26.734 14.491 1.00 71.20 N
+ATOM 764 CA ASP C 18 14.716 27.078 13.175 1.00 71.20 C
+ATOM 765 C ASP C 18 13.625 26.098 12.749 1.00 71.20 C
+ATOM 766 CB ASP C 18 15.837 27.102 12.135 1.00 71.20 C
+ATOM 767 O ASP C 18 13.903 24.925 12.492 1.00 71.20 O
+ATOM 768 CG ASP C 18 15.461 27.860 10.874 1.00 71.20 C
+ATOM 769 OD1 ASP C 18 14.253 28.028 10.601 1.00 71.20 O
+ATOM 770 OD2 ASP C 18 16.381 28.291 10.146 1.00 71.20 O
+ATOM 771 N PRO C 19 12.374 26.513 12.971 1.00 72.53 N
+ATOM 772 CA PRO C 19 11.250 25.667 12.562 1.00 72.53 C
+ATOM 773 C PRO C 19 11.486 24.982 11.217 1.00 72.53 C
+ATOM 774 CB PRO C 19 10.081 26.651 12.476 1.00 72.53 C
+ATOM 775 O PRO C 19 11.061 23.842 11.018 1.00 72.53 O
+ATOM 776 CG PRO C 19 10.504 27.821 13.305 1.00 72.53 C
+ATOM 777 CD PRO C 19 12.005 27.856 13.349 1.00 72.53 C
+ATOM 778 N GLY C 20 12.177 25.666 10.327 1.00 73.42 N
+ATOM 779 CA GLY C 20 12.487 25.091 9.028 1.00 73.42 C
+ATOM 780 C GLY C 20 13.450 23.922 9.107 1.00 73.42 C
+ATOM 781 O GLY C 20 13.263 22.910 8.428 1.00 73.42 O
+ATOM 782 N LEU C 21 14.481 24.103 9.955 1.00 80.45 N
+ATOM 783 CA LEU C 21 15.462 23.039 10.134 1.00 80.45 C
+ATOM 784 C LEU C 21 14.846 21.847 10.859 1.00 80.45 C
+ATOM 785 CB LEU C 21 16.675 23.554 10.914 1.00 80.45 C
+ATOM 786 O LEU C 21 15.123 20.696 10.517 1.00 80.45 O
+ATOM 787 CG LEU C 21 18.017 22.893 10.594 1.00 80.45 C
+ATOM 788 CD1 LEU C 21 18.915 23.859 9.829 1.00 80.45 C
+ATOM 789 CD2 LEU C 21 18.699 22.421 11.874 1.00 80.45 C
+ATOM 790 N ILE C 22 14.085 22.148 11.819 1.00 78.02 N
+ATOM 791 CA ILE C 22 13.408 21.096 12.570 1.00 78.02 C
+ATOM 792 C ILE C 22 12.483 20.312 11.643 1.00 78.02 C
+ATOM 793 CB ILE C 22 12.609 21.676 13.759 1.00 78.02 C
+ATOM 794 O ILE C 22 12.476 19.079 11.661 1.00 78.02 O
+ATOM 795 CG1 ILE C 22 13.560 22.295 14.791 1.00 78.02 C
+ATOM 796 CG2 ILE C 22 11.734 20.595 14.400 1.00 78.02 C
+ATOM 797 CD1 ILE C 22 12.854 23.047 15.910 1.00 78.02 C
+ATOM 798 N MET C 23 11.716 21.023 10.846 1.00 80.76 N
+ATOM 799 CA MET C 23 10.804 20.378 9.906 1.00 80.76 C
+ATOM 800 C MET C 23 11.570 19.511 8.912 1.00 80.76 C
+ATOM 801 CB MET C 23 9.975 21.423 9.157 1.00 80.76 C
+ATOM 802 O MET C 23 11.136 18.407 8.581 1.00 80.76 O
+ATOM 803 CG MET C 23 8.929 20.827 8.229 1.00 80.76 C
+ATOM 804 SD MET C 23 7.712 19.782 9.121 1.00 80.76 S
+ATOM 805 CE MET C 23 6.634 21.068 9.813 1.00 80.76 C
+ATOM 806 N GLU C 24 12.674 20.009 8.463 1.00 84.62 N
+ATOM 807 CA GLU C 24 13.499 19.243 7.534 1.00 84.62 C
+ATOM 808 C GLU C 24 13.990 17.947 8.172 1.00 84.62 C
+ATOM 809 CB GLU C 24 14.690 20.079 7.057 1.00 84.62 C
+ATOM 810 O GLU C 24 13.995 16.895 7.529 1.00 84.62 O
+ATOM 811 CG GLU C 24 15.523 19.403 5.978 1.00 84.62 C
+ATOM 812 CD GLU C 24 14.770 19.212 4.671 1.00 84.62 C
+ATOM 813 OE1 GLU C 24 15.301 18.539 3.758 1.00 84.62 O
+ATOM 814 OE2 GLU C 24 13.641 19.740 4.559 1.00 84.62 O
+ATOM 815 N GLN C 25 14.369 18.024 9.378 1.00 86.92 N
+ATOM 816 CA GLN C 25 14.822 16.840 10.099 1.00 86.92 C
+ATOM 817 C GLN C 25 13.684 15.839 10.282 1.00 86.92 C
+ATOM 818 CB GLN C 25 15.402 17.228 11.460 1.00 86.92 C
+ATOM 819 O GLN C 25 13.888 14.630 10.151 1.00 86.92 O
+ATOM 820 CG GLN C 25 16.781 17.871 11.380 1.00 86.92 C
+ATOM 821 CD GLN C 25 17.325 18.264 12.740 1.00 86.92 C
+ATOM 822 NE2 GLN C 25 18.622 18.059 12.942 1.00 86.92 N
+ATOM 823 OE1 GLN C 25 16.586 18.750 13.602 1.00 86.92 O
+ATOM 824 N VAL C 26 12.559 16.349 10.532 1.00 84.86 N
+ATOM 825 CA VAL C 26 11.388 15.497 10.706 1.00 84.86 C
+ATOM 826 C VAL C 26 11.049 14.806 9.387 1.00 84.86 C
+ATOM 827 CB VAL C 26 10.170 16.302 11.214 1.00 84.86 C
+ATOM 828 O VAL C 26 10.766 13.606 9.362 1.00 84.86 O
+ATOM 829 CG1 VAL C 26 8.905 15.446 11.182 1.00 84.86 C
+ATOM 830 CG2 VAL C 26 10.429 16.826 12.626 1.00 84.86 C
+ATOM 831 N LYS C 27 11.145 15.529 8.316 1.00 85.84 N
+ATOM 832 CA LYS C 27 10.865 14.977 6.994 1.00 85.84 C
+ATOM 833 C LYS C 27 11.833 13.848 6.653 1.00 85.84 C
+ATOM 834 CB LYS C 27 10.940 16.072 5.928 1.00 85.84 C
+ATOM 835 O LYS C 27 11.427 12.818 6.110 1.00 85.84 O
+ATOM 836 CG LYS C 27 9.737 17.002 5.910 1.00 85.84 C
+ATOM 837 CD LYS C 27 9.827 18.011 4.773 1.00 85.84 C
+ATOM 838 CE LYS C 27 8.589 18.896 4.709 1.00 85.84 C
+ATOM 839 NZ LYS C 27 8.693 19.916 3.623 1.00 85.84 N
+ATOM 840 N VAL C 28 13.111 14.078 6.993 1.00 90.49 N
+ATOM 841 CA VAL C 28 14.119 13.063 6.706 1.00 90.49 C
+ATOM 842 C VAL C 28 13.843 11.811 7.536 1.00 90.49 C
+ATOM 843 CB VAL C 28 15.546 13.585 6.988 1.00 90.49 C
+ATOM 844 O VAL C 28 13.925 10.691 7.026 1.00 90.49 O
+ATOM 845 CG1 VAL C 28 16.560 12.444 6.928 1.00 90.49 C
+ATOM 846 CG2 VAL C 28 15.917 14.686 5.996 1.00 90.49 C
+ATOM 847 N GLN C 29 13.485 12.012 8.747 1.00 91.26 N
+ATOM 848 CA GLN C 29 13.200 10.876 9.618 1.00 91.26 C
+ATOM 849 C GLN C 29 11.970 10.110 9.137 1.00 91.26 C
+ATOM 850 CB GLN C 29 12.998 11.342 11.060 1.00 91.26 C
+ATOM 851 O GLN C 29 11.929 8.880 9.215 1.00 91.26 O
+ATOM 852 CG GLN C 29 14.281 11.787 11.748 1.00 91.26 C
+ATOM 853 CD GLN C 29 15.276 10.655 11.925 1.00 91.26 C
+ATOM 854 NE2 GLN C 29 16.562 10.986 11.898 1.00 91.26 N
+ATOM 855 OE1 GLN C 29 14.891 9.492 12.086 1.00 91.26 O
+ATOM 856 N ILE C 30 11.000 10.830 8.612 1.00 89.28 N
+ATOM 857 CA ILE C 30 9.798 10.201 8.074 1.00 89.28 C
+ATOM 858 C ILE C 30 10.149 9.403 6.821 1.00 89.28 C
+ATOM 859 CB ILE C 30 8.707 11.248 7.755 1.00 89.28 C
+ATOM 860 O ILE C 30 9.700 8.266 6.655 1.00 89.28 O
+ATOM 861 CG1 ILE C 30 8.156 11.857 9.049 1.00 89.28 C
+ATOM 862 CG2 ILE C 30 7.584 10.621 6.923 1.00 89.28 C
+ATOM 863 CD1 ILE C 30 7.212 13.031 8.828 1.00 89.28 C
+ATOM 864 N ALA C 31 10.996 9.974 6.005 1.00 90.49 N
+ATOM 865 CA ALA C 31 11.416 9.303 4.778 1.00 90.49 C
+ATOM 866 C ALA C 31 12.174 8.015 5.089 1.00 90.49 C
+ATOM 867 CB ALA C 31 12.281 10.233 3.931 1.00 90.49 C
+ATOM 868 O ALA C 31 11.965 6.991 4.435 1.00 90.49 O
+ATOM 869 N VAL C 32 13.053 8.132 6.067 1.00 93.81 N
+ATOM 870 CA VAL C 32 13.836 6.956 6.431 1.00 93.81 C
+ATOM 871 C VAL C 32 12.913 5.870 6.979 1.00 93.81 C
+ATOM 872 CB VAL C 32 14.929 7.300 7.468 1.00 93.81 C
+ATOM 873 O VAL C 32 13.040 4.698 6.617 1.00 93.81 O
+ATOM 874 CG1 VAL C 32 15.546 6.027 8.045 1.00 93.81 C
+ATOM 875 CG2 VAL C 32 16.005 8.181 6.836 1.00 93.81 C
+ATOM 876 N ALA C 33 12.033 6.178 7.799 1.00 92.72 N
+ATOM 877 CA ALA C 33 11.080 5.224 8.361 1.00 92.72 C
+ATOM 878 C ALA C 33 10.213 4.607 7.267 1.00 92.72 C
+ATOM 879 CB ALA C 33 10.204 5.903 9.411 1.00 92.72 C
+ATOM 880 O ALA C 33 9.937 3.405 7.289 1.00 92.72 O
+ATOM 881 N ASN C 34 9.758 5.404 6.350 1.00 91.96 N
+ATOM 882 CA ASN C 34 8.950 4.920 5.236 1.00 91.96 C
+ATOM 883 C ASN C 34 9.726 3.935 4.367 1.00 91.96 C
+ATOM 884 CB ASN C 34 8.445 6.091 4.391 1.00 91.96 C
+ATOM 885 O ASN C 34 9.186 2.907 3.954 1.00 91.96 O
+ATOM 886 CG ASN C 34 7.293 6.829 5.043 1.00 91.96 C
+ATOM 887 ND2 ASN C 34 7.060 8.064 4.614 1.00 91.96 N
+ATOM 888 OD1 ASN C 34 6.617 6.294 5.926 1.00 91.96 O
+ATOM 889 N ALA C 35 10.989 4.299 4.154 1.00 93.58 N
+ATOM 890 CA ALA C 35 11.838 3.418 3.355 1.00 93.58 C
+ATOM 891 C ALA C 35 12.041 2.075 4.050 1.00 93.58 C
+ATOM 892 CB ALA C 35 13.185 4.082 3.083 1.00 93.58 C
+ATOM 893 O ALA C 35 12.026 1.025 3.402 1.00 93.58 O
+ATOM 894 N GLN C 36 12.274 2.113 5.321 1.00 96.35 N
+ATOM 895 CA GLN C 36 12.469 0.885 6.083 1.00 96.35 C
+ATOM 896 C GLN C 36 11.237 -0.012 6.007 1.00 96.35 C
+ATOM 897 CB GLN C 36 12.796 1.205 7.543 1.00 96.35 C
+ATOM 898 O GLN C 36 11.356 -1.227 5.831 1.00 96.35 O
+ATOM 899 CG GLN C 36 14.197 1.763 7.751 1.00 96.35 C
+ATOM 900 CD GLN C 36 14.464 2.157 9.191 1.00 96.35 C
+ATOM 901 NE2 GLN C 36 15.738 2.307 9.539 1.00 96.35 N
+ATOM 902 OE1 GLN C 36 13.533 2.326 9.985 1.00 96.35 O
+ATOM 903 N GLU C 37 10.096 0.611 6.123 1.00 95.41 N
+ATOM 904 CA GLU C 37 8.849 -0.142 6.038 1.00 95.41 C
+ATOM 905 C GLU C 37 8.665 -0.749 4.650 1.00 95.41 C
+ATOM 906 CB GLU C 37 7.656 0.753 6.382 1.00 95.41 C
+ATOM 907 O GLU C 37 8.286 -1.915 4.522 1.00 95.41 O
+ATOM 908 CG GLU C 37 6.319 0.026 6.377 1.00 95.41 C
+ATOM 909 CD GLU C 37 5.165 0.886 6.865 1.00 95.41 C
+ATOM 910 OE1 GLU C 37 4.036 0.365 7.005 1.00 95.41 O
+ATOM 911 OE2 GLU C 37 5.392 2.093 7.109 1.00 95.41 O
+ATOM 912 N LEU C 38 8.955 -0.006 3.696 1.00 95.78 N
+ATOM 913 CA LEU C 38 8.850 -0.488 2.323 1.00 95.78 C
+ATOM 914 C LEU C 38 9.783 -1.672 2.089 1.00 95.78 C
+ATOM 915 CB LEU C 38 9.173 0.635 1.334 1.00 95.78 C
+ATOM 916 O LEU C 38 9.371 -2.692 1.534 1.00 95.78 O
+ATOM 917 CG LEU C 38 9.132 0.265 -0.149 1.00 95.78 C
+ATOM 918 CD1 LEU C 38 7.721 -0.150 -0.553 1.00 95.78 C
+ATOM 919 CD2 LEU C 38 9.617 1.430 -1.005 1.00 95.78 C
+ATOM 920 N LEU C 39 10.981 -1.530 2.562 1.00 97.33 N
+ATOM 921 CA LEU C 39 11.963 -2.594 2.387 1.00 97.33 C
+ATOM 922 C LEU C 39 11.521 -3.866 3.103 1.00 97.33 C
+ATOM 923 CB LEU C 39 13.333 -2.151 2.907 1.00 97.33 C
+ATOM 924 O LEU C 39 11.681 -4.969 2.575 1.00 97.33 O
+ATOM 925 CG LEU C 39 14.116 -1.184 2.018 1.00 97.33 C
+ATOM 926 CD1 LEU C 39 15.373 -0.704 2.735 1.00 97.33 C
+ATOM 927 CD2 LEU C 39 14.471 -1.846 0.691 1.00 97.33 C
+ATOM 928 N GLN C 40 11.038 -3.734 4.226 1.00 97.68 N
+ATOM 929 CA GLN C 40 10.576 -4.882 4.999 1.00 97.68 C
+ATOM 930 C GLN C 40 9.427 -5.595 4.291 1.00 97.68 C
+ATOM 931 CB GLN C 40 10.141 -4.448 6.399 1.00 97.68 C
+ATOM 932 O GLN C 40 9.422 -6.824 4.187 1.00 97.68 O
+ATOM 933 CG GLN C 40 9.780 -5.608 7.318 1.00 97.68 C
+ATOM 934 CD GLN C 40 9.503 -5.164 8.742 1.00 97.68 C
+ATOM 935 NE2 GLN C 40 8.975 -6.073 9.555 1.00 97.68 N
+ATOM 936 OE1 GLN C 40 9.761 -4.013 9.109 1.00 97.68 O
+ATOM 937 N ARG C 41 8.515 -4.831 3.805 1.00 97.38 N
+ATOM 938 CA ARG C 41 7.371 -5.412 3.110 1.00 97.38 C
+ATOM 939 C ARG C 41 7.804 -6.091 1.815 1.00 97.38 C
+ATOM 940 CB ARG C 41 6.320 -4.340 2.814 1.00 97.38 C
+ATOM 941 O ARG C 41 7.356 -7.198 1.508 1.00 97.38 O
+ATOM 942 CG ARG C 41 5.643 -3.781 4.055 1.00 97.38 C
+ATOM 943 CD ARG C 41 4.383 -3.001 3.708 1.00 97.38 C
+ATOM 944 NE ARG C 41 3.671 -2.565 4.906 1.00 97.38 N
+ATOM 945 NH1 ARG C 41 1.697 -3.641 4.375 1.00 97.38 N
+ATOM 946 NH2 ARG C 41 1.861 -2.429 6.313 1.00 97.38 N
+ATOM 947 CZ ARG C 41 2.411 -2.879 5.195 1.00 97.38 C
+ATOM 948 N MET C 42 8.662 -5.454 1.114 1.00 97.42 N
+ATOM 949 CA MET C 42 9.176 -6.029 -0.125 1.00 97.42 C
+ATOM 950 C MET C 42 9.938 -7.321 0.149 1.00 97.42 C
+ATOM 951 CB MET C 42 10.082 -5.031 -0.847 1.00 97.42 C
+ATOM 952 O MET C 42 9.798 -8.299 -0.588 1.00 97.42 O
+ATOM 953 CG MET C 42 10.498 -5.476 -2.240 1.00 97.42 C
+ATOM 954 SD MET C 42 11.343 -4.146 -3.180 1.00 97.42 S
+ATOM 955 CE MET C 42 12.698 -3.758 -2.038 1.00 97.42 C
+ATOM 956 N THR C 43 10.667 -7.258 1.216 1.00 97.96 N
+ATOM 957 CA THR C 43 11.435 -8.437 1.600 1.00 97.96 C
+ATOM 958 C THR C 43 10.509 -9.616 1.886 1.00 97.96 C
+ATOM 959 CB THR C 43 12.308 -8.156 2.837 1.00 97.96 C
+ATOM 960 O THR C 43 10.755 -10.731 1.422 1.00 97.96 O
+ATOM 961 CG2 THR C 43 13.036 -9.416 3.294 1.00 97.96 C
+ATOM 962 OG1 THR C 43 13.276 -7.150 2.512 1.00 97.96 O
+ATOM 963 N ASP C 44 9.465 -9.382 2.615 1.00 97.57 N
+ATOM 964 CA ASP C 44 8.508 -10.430 2.956 1.00 97.57 C
+ATOM 965 C ASP C 44 7.891 -11.042 1.701 1.00 97.57 C
+ATOM 966 CB ASP C 44 7.409 -9.878 3.867 1.00 97.57 C
+ATOM 967 O ASP C 44 7.831 -12.266 1.565 1.00 97.57 O
+ATOM 968 CG ASP C 44 7.873 -9.671 5.298 1.00 97.57 C
+ATOM 969 OD1 ASP C 44 8.916 -10.238 5.689 1.00 97.57 O
+ATOM 970 OD2 ASP C 44 7.187 -8.938 6.042 1.00 97.57 O
+ATOM 971 N LYS C 45 7.581 -10.262 0.801 1.00 97.67 N
+ATOM 972 CA LYS C 45 6.913 -10.720 -0.414 1.00 97.67 C
+ATOM 973 C LYS C 45 7.882 -11.468 -1.325 1.00 97.67 C
+ATOM 974 CB LYS C 45 6.295 -9.539 -1.164 1.00 97.67 C
+ATOM 975 O LYS C 45 7.555 -12.538 -1.843 1.00 97.67 O
+ATOM 976 CG LYS C 45 5.219 -8.802 -0.380 1.00 97.67 C
+ATOM 977 CD LYS C 45 4.017 -9.696 -0.104 1.00 97.67 C
+ATOM 978 CE LYS C 45 2.939 -8.958 0.678 1.00 97.67 C
+ATOM 979 NZ LYS C 45 1.870 -9.885 1.156 1.00 97.67 N
+ATOM 980 N CYS C 46 9.013 -10.918 -1.420 1.00 98.15 N
+ATOM 981 CA CYS C 46 9.990 -11.544 -2.304 1.00 98.15 C
+ATOM 982 C CYS C 46 10.506 -12.849 -1.711 1.00 98.15 C
+ATOM 983 CB CYS C 46 11.159 -10.596 -2.569 1.00 98.15 C
+ATOM 984 O CYS C 46 10.783 -13.802 -2.441 1.00 98.15 O
+ATOM 985 SG CYS C 46 10.721 -9.166 -3.582 1.00 98.15 S
+ATOM 986 N PHE C 47 10.587 -12.866 -0.413 1.00 97.41 N
+ATOM 987 CA PHE C 47 11.002 -14.099 0.246 1.00 97.41 C
+ATOM 988 C PHE C 47 10.020 -15.227 -0.047 1.00 97.41 C
+ATOM 989 CB PHE C 47 11.124 -13.888 1.758 1.00 97.41 C
+ATOM 990 O PHE C 47 10.428 -16.345 -0.369 1.00 97.41 O
+ATOM 991 CG PHE C 47 11.621 -15.097 2.502 1.00 97.41 C
+ATOM 992 CD1 PHE C 47 10.732 -15.948 3.148 1.00 97.41 C
+ATOM 993 CD2 PHE C 47 12.979 -15.384 2.557 1.00 97.41 C
+ATOM 994 CE1 PHE C 47 11.190 -17.068 3.837 1.00 97.41 C
+ATOM 995 CE2 PHE C 47 13.444 -16.501 3.244 1.00 97.41 C
+ATOM 996 CZ PHE C 47 12.548 -17.342 3.884 1.00 97.41 C
+ATOM 997 N ARG C 48 8.776 -14.933 -0.075 1.00 95.86 N
+ATOM 998 CA ARG C 48 7.731 -15.931 -0.283 1.00 95.86 C
+ATOM 999 C ARG C 48 7.700 -16.396 -1.734 1.00 95.86 C
+ATOM 1000 CB ARG C 48 6.365 -15.370 0.118 1.00 95.86 C
+ATOM 1001 O ARG C 48 7.471 -17.576 -2.009 1.00 95.86 O
+ATOM 1002 CG ARG C 48 6.178 -15.216 1.619 1.00 95.86 C
+ATOM 1003 CD ARG C 48 4.791 -14.692 1.963 1.00 95.86 C
+ATOM 1004 NE ARG C 48 4.675 -14.366 3.382 1.00 95.86 N
+ATOM 1005 NH1 ARG C 48 2.900 -15.791 3.776 1.00 95.86 N
+ATOM 1006 NH2 ARG C 48 3.763 -14.528 5.483 1.00 95.86 N
+ATOM 1007 CZ ARG C 48 3.780 -14.896 4.211 1.00 95.86 C
+ATOM 1008 N LYS C 49 8.030 -15.511 -2.571 1.00 96.46 N
+ATOM 1009 CA LYS C 49 7.899 -15.826 -3.990 1.00 96.46 C
+ATOM 1010 C LYS C 49 9.168 -16.481 -4.528 1.00 96.46 C
+ATOM 1011 CB LYS C 49 7.579 -14.564 -4.794 1.00 96.46 C
+ATOM 1012 O LYS C 49 9.109 -17.297 -5.449 1.00 96.46 O
+ATOM 1013 CG LYS C 49 6.163 -14.046 -4.595 1.00 96.46 C
+ATOM 1014 CD LYS C 49 5.789 -13.019 -5.656 1.00 96.46 C
+ATOM 1015 CE LYS C 49 4.371 -12.502 -5.460 1.00 96.46 C
+ATOM 1016 NZ LYS C 49 3.354 -13.462 -5.983 1.00 96.46 N
+ATOM 1017 N CYS C 50 10.324 -16.178 -3.931 1.00 97.14 N
+ATOM 1018 CA CYS C 50 11.565 -16.534 -4.610 1.00 97.14 C
+ATOM 1019 C CYS C 50 12.326 -17.602 -3.832 1.00 97.14 C
+ATOM 1020 CB CYS C 50 12.447 -15.301 -4.797 1.00 97.14 C
+ATOM 1021 O CYS C 50 13.181 -18.291 -4.390 1.00 97.14 O
+ATOM 1022 SG CYS C 50 11.731 -14.052 -5.888 1.00 97.14 S
+ATOM 1023 N ILE C 51 11.993 -17.656 -2.527 1.00 97.22 N
+ATOM 1024 CA ILE C 51 12.734 -18.618 -1.718 1.00 97.22 C
+ATOM 1025 C ILE C 51 11.825 -19.787 -1.345 1.00 97.22 C
+ATOM 1026 CB ILE C 51 13.311 -17.961 -0.444 1.00 97.22 C
+ATOM 1027 O ILE C 51 10.973 -19.663 -0.462 1.00 97.22 O
+ATOM 1028 CG1 ILE C 51 14.057 -16.670 -0.801 1.00 97.22 C
+ATOM 1029 CG2 ILE C 51 14.227 -18.936 0.300 1.00 97.22 C
+ATOM 1030 CD1 ILE C 51 15.223 -16.874 -1.759 1.00 97.22 C
+ATOM 1031 N GLY C 52 11.931 -20.934 -2.057 1.00 91.98 N
+ATOM 1032 CA GLY C 52 11.146 -22.121 -1.755 1.00 91.98 C
+ATOM 1033 C GLY C 52 11.600 -22.833 -0.495 1.00 91.98 C
+ATOM 1034 O GLY C 52 10.795 -23.093 0.401 1.00 91.98 O
+ATOM 1035 N LYS C 53 12.783 -23.187 -0.479 1.00 92.74 N
+ATOM 1036 CA LYS C 53 13.430 -23.791 0.682 1.00 92.74 C
+ATOM 1037 C LYS C 53 14.735 -23.074 1.019 1.00 92.74 C
+ATOM 1038 CB LYS C 53 13.697 -25.276 0.436 1.00 92.74 C
+ATOM 1039 O LYS C 53 15.576 -22.860 0.143 1.00 92.74 O
+ATOM 1040 CG LYS C 53 14.101 -26.048 1.683 1.00 92.74 C
+ATOM 1041 CD LYS C 53 14.293 -27.530 1.386 1.00 92.74 C
+ATOM 1042 CE LYS C 53 14.777 -28.289 2.615 1.00 92.74 C
+ATOM 1043 NZ LYS C 53 14.960 -29.744 2.330 1.00 92.74 N
+ATOM 1044 N PRO C 54 14.868 -22.730 2.307 1.00 89.43 N
+ATOM 1045 CA PRO C 54 16.102 -22.026 2.663 1.00 89.43 C
+ATOM 1046 C PRO C 54 17.337 -22.920 2.579 1.00 89.43 C
+ATOM 1047 CB PRO C 54 15.849 -21.577 4.104 1.00 89.43 C
+ATOM 1048 O PRO C 54 17.324 -24.045 3.085 1.00 89.43 O
+ATOM 1049 CG PRO C 54 14.722 -22.436 4.579 1.00 89.43 C
+ATOM 1050 CD PRO C 54 14.004 -22.987 3.381 1.00 89.43 C
+ATOM 1051 N GLY C 55 18.221 -22.674 1.659 1.00 91.02 N
+ATOM 1052 CA GLY C 55 19.477 -23.392 1.513 1.00 91.02 C
+ATOM 1053 C GLY C 55 20.653 -22.672 2.145 1.00 91.02 C
+ATOM 1054 O GLY C 55 20.473 -21.848 3.044 1.00 91.02 O
+ATOM 1055 N GLY C 56 21.818 -23.104 1.732 1.00 91.79 N
+ATOM 1056 CA GLY C 56 23.024 -22.566 2.340 1.00 91.79 C
+ATOM 1057 C GLY C 56 23.420 -21.212 1.784 1.00 91.79 C
+ATOM 1058 O GLY C 56 24.196 -20.482 2.405 1.00 91.79 O
+ATOM 1059 N SER C 57 22.913 -20.905 0.635 1.00 95.36 N
+ATOM 1060 CA SER C 57 23.218 -19.638 -0.021 1.00 95.36 C
+ATOM 1061 C SER C 57 22.146 -19.273 -1.043 1.00 95.36 C
+ATOM 1062 CB SER C 57 24.584 -19.704 -0.705 1.00 95.36 C
+ATOM 1063 O SER C 57 21.298 -20.100 -1.383 1.00 95.36 O
+ATOM 1064 OG SER C 57 24.588 -20.685 -1.728 1.00 95.36 O
+ATOM 1065 N LEU C 58 22.147 -17.993 -1.331 1.00 96.20 N
+ATOM 1066 CA LEU C 58 21.288 -17.529 -2.415 1.00 96.20 C
+ATOM 1067 C LEU C 58 21.859 -17.930 -3.771 1.00 96.20 C
+ATOM 1068 CB LEU C 58 21.117 -16.009 -2.350 1.00 96.20 C
+ATOM 1069 O LEU C 58 22.806 -17.308 -4.259 1.00 96.20 O
+ATOM 1070 CG LEU C 58 19.771 -15.500 -1.832 1.00 96.20 C
+ATOM 1071 CD1 LEU C 58 19.978 -14.571 -0.640 1.00 96.20 C
+ATOM 1072 CD2 LEU C 58 19.005 -14.790 -2.943 1.00 96.20 C
+ATOM 1073 N ASP C 59 21.197 -18.961 -4.415 1.00 95.29 N
+ATOM 1074 CA ASP C 59 21.728 -19.383 -5.708 1.00 95.29 C
+ATOM 1075 C ASP C 59 21.380 -18.375 -6.800 1.00 95.29 C
+ATOM 1076 CB ASP C 59 21.194 -20.768 -6.081 1.00 95.29 C
+ATOM 1077 O ASP C 59 20.739 -17.356 -6.531 1.00 95.29 O
+ATOM 1078 CG ASP C 59 19.693 -20.782 -6.313 1.00 95.29 C
+ATOM 1079 OD1 ASP C 59 19.122 -19.731 -6.673 1.00 95.29 O
+ATOM 1080 OD2 ASP C 59 19.076 -21.854 -6.131 1.00 95.29 O
+ATOM 1081 N ASN C 60 21.880 -18.583 -8.050 1.00 96.52 N
+ATOM 1082 CA ASN C 60 21.725 -17.650 -9.161 1.00 96.52 C
+ATOM 1083 C ASN C 60 20.256 -17.447 -9.522 1.00 96.52 C
+ATOM 1084 CB ASN C 60 22.510 -18.134 -10.382 1.00 96.52 C
+ATOM 1085 O ASN C 60 19.822 -16.320 -9.765 1.00 96.52 O
+ATOM 1086 CG ASN C 60 22.554 -17.104 -11.493 1.00 96.52 C
+ATOM 1087 ND2 ASN C 60 21.935 -17.424 -12.624 1.00 96.52 N
+ATOM 1088 OD1 ASN C 60 23.140 -16.029 -11.338 1.00 96.52 O
+ATOM 1089 N SER C 61 19.509 -18.592 -9.480 1.00 95.40 N
+ATOM 1090 CA SER C 61 18.092 -18.521 -9.820 1.00 95.40 C
+ATOM 1091 C SER C 61 17.322 -17.682 -8.805 1.00 95.40 C
+ATOM 1092 CB SER C 61 17.488 -19.924 -9.897 1.00 95.40 C
+ATOM 1093 O SER C 61 16.474 -16.869 -9.179 1.00 95.40 O
+ATOM 1094 OG SER C 61 16.102 -19.860 -10.187 1.00 95.40 O
+ATOM 1095 N GLU C 62 17.656 -17.805 -7.515 1.00 96.50 N
+ATOM 1096 CA GLU C 62 17.001 -17.040 -6.458 1.00 96.50 C
+ATOM 1097 C GLU C 62 17.381 -15.564 -6.529 1.00 96.50 C
+ATOM 1098 CB GLU C 62 17.358 -17.610 -5.082 1.00 96.50 C
+ATOM 1099 O GLU C 62 16.536 -14.690 -6.324 1.00 96.50 O
+ATOM 1100 CG GLU C 62 16.725 -18.963 -4.794 1.00 96.50 C
+ATOM 1101 CD GLU C 62 17.217 -19.593 -3.501 1.00 96.50 C
+ATOM 1102 OE1 GLU C 62 16.428 -20.293 -2.827 1.00 96.50 O
+ATOM 1103 OE2 GLU C 62 18.402 -19.384 -3.158 1.00 96.50 O
+ATOM 1104 N GLN C 63 18.599 -15.274 -6.840 1.00 97.02 N
+ATOM 1105 CA GLN C 63 19.055 -13.894 -6.967 1.00 97.02 C
+ATOM 1106 C GLN C 63 18.332 -13.178 -8.104 1.00 97.02 C
+ATOM 1107 CB GLN C 63 20.567 -13.846 -7.193 1.00 97.02 C
+ATOM 1108 O GLN C 63 17.917 -12.026 -7.955 1.00 97.02 O
+ATOM 1109 CG GLN C 63 21.385 -14.208 -5.961 1.00 97.02 C
+ATOM 1110 CD GLN C 63 22.881 -14.129 -6.206 1.00 97.02 C
+ATOM 1111 NE2 GLN C 63 23.666 -14.531 -5.212 1.00 97.02 N
+ATOM 1112 OE1 GLN C 63 23.326 -13.711 -7.279 1.00 97.02 O
+ATOM 1113 N LYS C 64 18.209 -13.885 -9.202 1.00 96.89 N
+ATOM 1114 CA LYS C 64 17.498 -13.314 -10.343 1.00 96.89 C
+ATOM 1115 C LYS C 64 16.024 -13.095 -10.018 1.00 96.89 C
+ATOM 1116 CB LYS C 64 17.636 -14.218 -11.568 1.00 96.89 C
+ATOM 1117 O LYS C 64 15.456 -12.053 -10.355 1.00 96.89 O
+ATOM 1118 CG LYS C 64 17.065 -13.620 -12.846 1.00 96.89 C
+ATOM 1119 CD LYS C 64 17.346 -14.507 -14.052 1.00 96.89 C
+ATOM 1120 CE LYS C 64 16.750 -13.924 -15.326 1.00 96.89 C
+ATOM 1121 NZ LYS C 64 17.039 -14.781 -16.515 1.00 96.89 N
+ATOM 1122 N CYS C 65 15.441 -14.105 -9.365 1.00 97.25 N
+ATOM 1123 CA CYS C 65 14.040 -14.005 -8.972 1.00 97.25 C
+ATOM 1124 C CYS C 65 13.816 -12.814 -8.048 1.00 97.25 C
+ATOM 1125 CB CYS C 65 13.583 -15.290 -8.282 1.00 97.25 C
+ATOM 1126 O CYS C 65 12.874 -12.042 -8.239 1.00 97.25 O
+ATOM 1127 SG CYS C 65 11.868 -15.244 -7.718 1.00 97.25 S
+ATOM 1128 N ILE C 66 14.708 -12.555 -7.059 1.00 97.77 N
+ATOM 1129 CA ILE C 66 14.588 -11.479 -6.081 1.00 97.77 C
+ATOM 1130 C ILE C 66 14.717 -10.128 -6.781 1.00 97.77 C
+ATOM 1131 CB ILE C 66 15.649 -11.608 -4.965 1.00 97.77 C
+ATOM 1132 O ILE C 66 13.994 -9.182 -6.458 1.00 97.77 O
+ATOM 1133 CG1 ILE C 66 15.336 -12.811 -4.068 1.00 97.77 C
+ATOM 1134 CG2 ILE C 66 15.729 -10.318 -4.144 1.00 97.77 C
+ATOM 1135 CD1 ILE C 66 16.454 -13.166 -3.096 1.00 97.77 C
+ATOM 1136 N ALA C 67 15.609 -10.096 -7.739 1.00 97.37 N
+ATOM 1137 CA ALA C 67 15.765 -8.863 -8.505 1.00 97.37 C
+ATOM 1138 C ALA C 67 14.487 -8.524 -9.266 1.00 97.37 C
+ATOM 1139 CB ALA C 67 16.940 -8.983 -9.473 1.00 97.37 C
+ATOM 1140 O ALA C 67 14.016 -7.385 -9.225 1.00 97.37 O
+ATOM 1141 N MET C 68 13.936 -9.520 -9.862 1.00 98.07 N
+ATOM 1142 CA MET C 68 12.700 -9.312 -10.612 1.00 98.07 C
+ATOM 1143 C MET C 68 11.537 -9.011 -9.671 1.00 98.07 C
+ATOM 1144 CB MET C 68 12.377 -10.539 -11.467 1.00 98.07 C
+ATOM 1145 O MET C 68 10.679 -8.184 -9.984 1.00 98.07 O
+ATOM 1146 CG MET C 68 13.298 -10.712 -12.664 1.00 98.07 C
+ATOM 1147 SD MET C 68 12.745 -12.051 -13.789 1.00 98.07 S
+ATOM 1148 CE MET C 68 13.036 -13.497 -12.732 1.00 98.07 C
+ATOM 1149 N CYS C 69 11.546 -9.706 -8.570 1.00 98.19 N
+ATOM 1150 CA CYS C 69 10.500 -9.505 -7.574 1.00 98.19 C
+ATOM 1151 C CYS C 69 10.478 -8.059 -7.092 1.00 98.19 C
+ATOM 1152 CB CYS C 69 10.703 -10.445 -6.386 1.00 98.19 C
+ATOM 1153 O CYS C 69 9.417 -7.435 -7.035 1.00 98.19 O
+ATOM 1154 SG CYS C 69 9.450 -10.270 -5.097 1.00 98.19 S
+ATOM 1155 N MET C 70 11.616 -7.495 -6.753 1.00 98.20 N
+ATOM 1156 CA MET C 70 11.723 -6.110 -6.302 1.00 98.20 C
+ATOM 1157 C MET C 70 11.212 -5.149 -7.370 1.00 98.20 C
+ATOM 1158 CB MET C 70 13.171 -5.771 -5.944 1.00 98.20 C
+ATOM 1159 O MET C 70 10.453 -4.226 -7.069 1.00 98.20 O
+ATOM 1160 CG MET C 70 13.369 -4.336 -5.482 1.00 98.20 C
+ATOM 1161 SD MET C 70 15.135 -3.927 -5.196 1.00 98.20 S
+ATOM 1162 CE MET C 70 15.039 -2.115 -5.145 1.00 98.20 C
+ATOM 1163 N ASP C 71 11.591 -5.421 -8.638 1.00 97.97 N
+ATOM 1164 CA ASP C 71 11.160 -4.568 -9.741 1.00 97.97 C
+ATOM 1165 C ASP C 71 9.643 -4.613 -9.910 1.00 97.97 C
+ATOM 1166 CB ASP C 71 11.847 -4.986 -11.043 1.00 97.97 C
+ATOM 1167 O ASP C 71 8.997 -3.572 -10.042 1.00 97.97 O
+ATOM 1168 CG ASP C 71 13.333 -4.673 -11.056 1.00 97.97 C
+ATOM 1169 OD1 ASP C 71 13.790 -3.849 -10.236 1.00 97.97 O
+ATOM 1170 OD2 ASP C 71 14.053 -5.254 -11.897 1.00 97.97 O
+ATOM 1171 N ARG C 72 9.165 -5.759 -9.823 1.00 98.19 N
+ATOM 1172 CA ARG C 72 7.729 -5.929 -10.021 1.00 98.19 C
+ATOM 1173 C ARG C 72 6.943 -5.359 -8.846 1.00 98.19 C
+ATOM 1174 CB ARG C 72 7.384 -7.407 -10.215 1.00 98.19 C
+ATOM 1175 O ARG C 72 5.835 -4.848 -9.023 1.00 98.19 O
+ATOM 1176 CG ARG C 72 7.905 -7.996 -11.516 1.00 98.19 C
+ATOM 1177 CD ARG C 72 7.343 -7.269 -12.729 1.00 98.19 C
+ATOM 1178 NE ARG C 72 8.204 -6.164 -13.142 1.00 98.19 N
+ATOM 1179 NH1 ARG C 72 7.504 -6.169 -15.344 1.00 98.19 N
+ATOM 1180 NH2 ARG C 72 9.080 -4.660 -14.640 1.00 98.19 N
+ATOM 1181 CZ ARG C 72 8.261 -5.667 -14.374 1.00 98.19 C
+ATOM 1182 N TYR C 73 7.516 -5.506 -7.654 1.00 98.09 N
+ATOM 1183 CA TYR C 73 6.862 -4.893 -6.503 1.00 98.09 C
+ATOM 1184 C TYR C 73 6.727 -3.387 -6.691 1.00 98.09 C
+ATOM 1185 CB TYR C 73 7.643 -5.192 -5.219 1.00 98.09 C
+ATOM 1186 O TYR C 73 5.675 -2.811 -6.403 1.00 98.09 O
+ATOM 1187 CG TYR C 73 6.919 -4.781 -3.960 1.00 98.09 C
+ATOM 1188 CD1 TYR C 73 7.063 -3.498 -3.437 1.00 98.09 C
+ATOM 1189 CD2 TYR C 73 6.092 -5.676 -3.289 1.00 98.09 C
+ATOM 1190 CE1 TYR C 73 6.400 -3.116 -2.276 1.00 98.09 C
+ATOM 1191 CE2 TYR C 73 5.424 -5.305 -2.127 1.00 98.09 C
+ATOM 1192 OH TYR C 73 4.925 -3.652 -0.479 1.00 98.09 O
+ATOM 1193 CZ TYR C 73 5.584 -4.025 -1.629 1.00 98.09 C
+ATOM 1194 N MET C 74 7.766 -2.758 -7.188 1.00 97.87 N
+ATOM 1195 CA MET C 74 7.743 -1.316 -7.414 1.00 97.87 C
+ATOM 1196 C MET C 74 6.755 -0.954 -8.518 1.00 97.87 C
+ATOM 1197 CB MET C 74 9.139 -0.806 -7.775 1.00 97.87 C
+ATOM 1198 O MET C 74 6.036 0.041 -8.411 1.00 97.87 O
+ATOM 1199 CG MET C 74 10.135 -0.882 -6.628 1.00 97.87 C
+ATOM 1200 SD MET C 74 9.565 0.030 -5.141 1.00 97.87 S
+ATOM 1201 CE MET C 74 9.745 1.738 -5.725 1.00 97.87 C
+ATOM 1202 N ASP C 75 6.717 -1.812 -9.547 1.00 98.36 N
+ATOM 1203 CA ASP C 75 5.733 -1.600 -10.604 1.00 98.36 C
+ATOM 1204 C ASP C 75 4.311 -1.678 -10.054 1.00 98.36 C
+ATOM 1205 CB ASP C 75 5.920 -2.624 -11.725 1.00 98.36 C
+ATOM 1206 O ASP C 75 3.471 -0.832 -10.368 1.00 98.36 O
+ATOM 1207 CG ASP C 75 7.210 -2.423 -12.502 1.00 98.36 C
+ATOM 1208 OD1 ASP C 75 7.817 -1.335 -12.405 1.00 98.36 O
+ATOM 1209 OD2 ASP C 75 7.620 -3.360 -13.221 1.00 98.36 O
+ATOM 1210 N ALA C 76 4.113 -2.698 -9.311 1.00 98.62 N
+ATOM 1211 CA ALA C 76 2.791 -2.884 -8.717 1.00 98.62 C
+ATOM 1212 C ALA C 76 2.435 -1.720 -7.797 1.00 98.62 C
+ATOM 1213 CB ALA C 76 2.734 -4.202 -7.950 1.00 98.62 C
+ATOM 1214 O ALA C 76 1.291 -1.258 -7.785 1.00 98.62 O
+ATOM 1215 N TRP C 77 3.426 -1.297 -7.031 1.00 98.43 N
+ATOM 1216 CA TRP C 77 3.217 -0.160 -6.141 1.00 98.43 C
+ATOM 1217 C TRP C 77 2.714 1.053 -6.917 1.00 98.43 C
+ATOM 1218 CB TRP C 77 4.511 0.191 -5.402 1.00 98.43 C
+ATOM 1219 O TRP C 77 1.778 1.730 -6.485 1.00 98.43 O
+ATOM 1220 CG TRP C 77 4.383 1.358 -4.469 1.00 98.43 C
+ATOM 1221 CD1 TRP C 77 4.548 2.680 -4.776 1.00 98.43 C
+ATOM 1222 CD2 TRP C 77 4.068 1.305 -3.075 1.00 98.43 C
+ATOM 1223 CE2 TRP C 77 4.057 2.635 -2.598 1.00 98.43 C
+ATOM 1224 CE3 TRP C 77 3.792 0.262 -2.181 1.00 98.43 C
+ATOM 1225 NE1 TRP C 77 4.353 3.453 -3.655 1.00 98.43 N
+ATOM 1226 CH2 TRP C 77 3.515 1.909 -0.412 1.00 98.43 C
+ATOM 1227 CZ2 TRP C 77 3.781 2.948 -1.265 1.00 98.43 C
+ATOM 1228 CZ3 TRP C 77 3.518 0.576 -0.855 1.00 98.43 C
+ATOM 1229 N ASN C 78 3.288 1.335 -8.030 1.00 98.36 N
+ATOM 1230 CA ASN C 78 2.893 2.470 -8.858 1.00 98.36 C
+ATOM 1231 C ASN C 78 1.484 2.292 -9.418 1.00 98.36 C
+ATOM 1232 CB ASN C 78 3.894 2.679 -9.995 1.00 98.36 C
+ATOM 1233 O ASN C 78 0.693 3.236 -9.429 1.00 98.36 O
+ATOM 1234 CG ASN C 78 5.222 3.228 -9.512 1.00 98.36 C
+ATOM 1235 ND2 ASN C 78 6.292 2.911 -10.230 1.00 98.36 N
+ATOM 1236 OD1 ASN C 78 5.285 3.932 -8.500 1.00 98.36 O
+ATOM 1237 N THR C 79 1.218 1.102 -9.793 1.00 98.81 N
+ATOM 1238 CA THR C 79 -0.104 0.812 -10.339 1.00 98.81 C
+ATOM 1239 C THR C 79 -1.181 0.996 -9.274 1.00 98.81 C
+ATOM 1240 CB THR C 79 -0.174 -0.619 -10.903 1.00 98.81 C
+ATOM 1241 O THR C 79 -2.202 1.641 -9.521 1.00 98.81 O
+ATOM 1242 CG2 THR C 79 -1.558 -0.920 -11.468 1.00 98.81 C
+ATOM 1243 OG1 THR C 79 0.798 -0.763 -11.947 1.00 98.81 O
+ATOM 1244 N VAL C 80 -0.946 0.487 -8.146 1.00 98.82 N
+ATOM 1245 CA VAL C 80 -1.897 0.555 -7.041 1.00 98.82 C
+ATOM 1246 C VAL C 80 -2.056 2.003 -6.584 1.00 98.82 C
+ATOM 1247 CB VAL C 80 -1.455 -0.333 -5.856 1.00 98.82 C
+ATOM 1248 O VAL C 80 -3.174 2.467 -6.350 1.00 98.82 O
+ATOM 1249 CG1 VAL C 80 -2.270 -0.009 -4.606 1.00 98.82 C
+ATOM 1250 CG2 VAL C 80 -1.590 -1.811 -6.218 1.00 98.82 C
+ATOM 1251 N SER C 81 -0.944 2.696 -6.499 1.00 98.61 N
+ATOM 1252 CA SER C 81 -0.990 4.103 -6.113 1.00 98.61 C
+ATOM 1253 C SER C 81 -1.824 4.918 -7.096 1.00 98.61 C
+ATOM 1254 CB SER C 81 0.422 4.682 -6.027 1.00 98.61 C
+ATOM 1255 O SER C 81 -2.654 5.733 -6.687 1.00 98.61 O
+ATOM 1256 OG SER C 81 1.163 4.050 -4.998 1.00 98.61 O
+ATOM 1257 N ARG C 82 -1.661 4.706 -8.341 1.00 98.64 N
+ATOM 1258 CA ARG C 82 -2.407 5.416 -9.375 1.00 98.64 C
+ATOM 1259 C ARG C 82 -3.892 5.072 -9.311 1.00 98.64 C
+ATOM 1260 CB ARG C 82 -1.852 5.086 -10.762 1.00 98.64 C
+ATOM 1261 O ARG C 82 -4.744 5.956 -9.428 1.00 98.64 O
+ATOM 1262 CG ARG C 82 -0.554 5.805 -11.092 1.00 98.64 C
+ATOM 1263 CD ARG C 82 -0.189 5.662 -12.563 1.00 98.64 C
+ATOM 1264 NE ARG C 82 0.118 4.277 -12.911 1.00 98.64 N
+ATOM 1265 NH1 ARG C 82 1.070 4.783 -14.954 1.00 98.64 N
+ATOM 1266 NH2 ARG C 82 0.941 2.605 -14.252 1.00 98.64 N
+ATOM 1267 CZ ARG C 82 0.709 3.892 -14.038 1.00 98.64 C
+ATOM 1268 N ALA C 83 -4.171 3.837 -9.133 1.00 98.82 N
+ATOM 1269 CA ALA C 83 -5.562 3.398 -9.057 1.00 98.82 C
+ATOM 1270 C ALA C 83 -6.274 4.033 -7.866 1.00 98.82 C
+ATOM 1271 CB ALA C 83 -5.636 1.875 -8.967 1.00 98.82 C
+ATOM 1272 O ALA C 83 -7.425 4.462 -7.979 1.00 98.82 O
+ATOM 1273 N TYR C 84 -5.551 4.040 -6.773 1.00 98.57 N
+ATOM 1274 CA TYR C 84 -6.128 4.629 -5.570 1.00 98.57 C
+ATOM 1275 C TYR C 84 -6.369 6.122 -5.756 1.00 98.57 C
+ATOM 1276 CB TYR C 84 -5.214 4.393 -4.364 1.00 98.57 C
+ATOM 1277 O TYR C 84 -7.443 6.630 -5.426 1.00 98.57 O
+ATOM 1278 CG TYR C 84 -5.765 4.939 -3.069 1.00 98.57 C
+ATOM 1279 CD1 TYR C 84 -4.951 5.643 -2.185 1.00 98.57 C
+ATOM 1280 CD2 TYR C 84 -7.100 4.752 -2.727 1.00 98.57 C
+ATOM 1281 CE1 TYR C 84 -5.454 6.146 -0.990 1.00 98.57 C
+ATOM 1282 CE2 TYR C 84 -7.614 5.251 -1.535 1.00 98.57 C
+ATOM 1283 OH TYR C 84 -7.288 6.442 0.508 1.00 98.57 O
+ATOM 1284 CZ TYR C 84 -6.785 5.946 -0.674 1.00 98.57 C
+ATOM 1285 N ASN C 85 -5.426 6.776 -6.269 1.00 98.26 N
+ATOM 1286 CA ASN C 85 -5.569 8.205 -6.528 1.00 98.26 C
+ATOM 1287 C ASN C 85 -6.748 8.492 -7.452 1.00 98.26 C
+ATOM 1288 CB ASN C 85 -4.278 8.775 -7.121 1.00 98.26 C
+ATOM 1289 O ASN C 85 -7.534 9.406 -7.198 1.00 98.26 O
+ATOM 1290 CG ASN C 85 -4.319 10.283 -7.266 1.00 98.26 C
+ATOM 1291 ND2 ASN C 85 -3.824 10.989 -6.257 1.00 98.26 N
+ATOM 1292 OD1 ASN C 85 -4.791 10.810 -8.277 1.00 98.26 O
+ATOM 1293 N SER C 86 -6.858 7.704 -8.497 1.00 97.82 N
+ATOM 1294 CA SER C 86 -7.958 7.867 -9.442 1.00 97.82 C
+ATOM 1295 C SER C 86 -9.307 7.648 -8.764 1.00 97.82 C
+ATOM 1296 CB SER C 86 -7.805 6.898 -10.615 1.00 97.82 C
+ATOM 1297 O SER C 86 -10.266 8.376 -9.029 1.00 97.82 O
+ATOM 1298 OG SER C 86 -8.877 7.043 -11.531 1.00 97.82 O
+ATOM 1299 N ARG C 87 -9.336 6.644 -7.967 1.00 97.70 N
+ATOM 1300 CA ARG C 87 -10.565 6.354 -7.236 1.00 97.70 C
+ATOM 1301 C ARG C 87 -10.951 7.519 -6.331 1.00 97.70 C
+ATOM 1302 CB ARG C 87 -10.410 5.077 -6.408 1.00 97.70 C
+ATOM 1303 O ARG C 87 -12.119 7.909 -6.276 1.00 97.70 O
+ATOM 1304 CG ARG C 87 -11.623 4.745 -5.553 1.00 97.70 C
+ATOM 1305 CD ARG C 87 -12.825 4.363 -6.405 1.00 97.70 C
+ATOM 1306 NE ARG C 87 -13.966 3.972 -5.583 1.00 97.70 N
+ATOM 1307 NH1 ARG C 87 -14.009 1.782 -6.317 1.00 97.70 N
+ATOM 1308 NH2 ARG C 87 -15.540 2.508 -4.773 1.00 97.70 N
+ATOM 1309 CZ ARG C 87 -14.502 2.755 -5.560 1.00 97.70 C
+ATOM 1310 N LEU C 88 -10.063 8.128 -5.657 1.00 96.35 N
+ATOM 1311 CA LEU C 88 -10.327 9.267 -4.784 1.00 96.35 C
+ATOM 1312 C LEU C 88 -10.875 10.446 -5.581 1.00 96.35 C
+ATOM 1313 CB LEU C 88 -9.053 9.683 -4.045 1.00 96.35 C
+ATOM 1314 O LEU C 88 -11.795 11.132 -5.129 1.00 96.35 O
+ATOM 1315 CG LEU C 88 -8.682 8.854 -2.813 1.00 96.35 C
+ATOM 1316 CD1 LEU C 88 -8.124 7.499 -3.235 1.00 96.35 C
+ATOM 1317 CD2 LEU C 88 -7.679 9.606 -1.945 1.00 96.35 C
+ATOM 1318 N GLN C 89 -10.362 10.657 -6.699 1.00 96.08 N
+ATOM 1319 CA GLN C 89 -10.802 11.753 -7.556 1.00 96.08 C
+ATOM 1320 C GLN C 89 -12.239 11.542 -8.025 1.00 96.08 C
+ATOM 1321 CB GLN C 89 -9.872 11.899 -8.761 1.00 96.08 C
+ATOM 1322 O GLN C 89 -13.031 12.486 -8.061 1.00 96.08 O
+ATOM 1323 CG GLN C 89 -8.476 12.392 -8.405 1.00 96.08 C
+ATOM 1324 CD GLN C 89 -7.554 12.462 -9.607 1.00 96.08 C
+ATOM 1325 NE2 GLN C 89 -6.357 13.002 -9.405 1.00 96.08 N
+ATOM 1326 OE1 GLN C 89 -7.913 12.033 -10.708 1.00 96.08 O
+ATOM 1327 N ARG C 90 -12.513 10.348 -8.402 1.00 94.92 N
+ATOM 1328 CA ARG C 90 -13.858 10.025 -8.866 1.00 94.92 C
+ATOM 1329 C ARG C 90 -14.882 10.218 -7.753 1.00 94.92 C
+ATOM 1330 CB ARG C 90 -13.916 8.589 -9.390 1.00 94.92 C
+ATOM 1331 O ARG C 90 -15.990 10.701 -7.999 1.00 94.92 O
+ATOM 1332 CG ARG C 90 -13.183 8.382 -10.706 1.00 94.92 C
+ATOM 1333 CD ARG C 90 -13.370 6.969 -11.239 1.00 94.92 C
+ATOM 1334 NE ARG C 90 -12.428 6.034 -10.629 1.00 94.92 N
+ATOM 1335 NH1 ARG C 90 -13.437 4.139 -11.484 1.00 94.92 N
+ATOM 1336 NH2 ARG C 90 -11.574 3.954 -10.161 1.00 94.92 N
+ATOM 1337 CZ ARG C 90 -12.482 4.711 -10.760 1.00 94.92 C
+ATOM 1338 N GLU C 91 -14.479 9.853 -6.585 1.00 91.57 N
+ATOM 1339 CA GLU C 91 -15.392 9.987 -5.453 1.00 91.57 C
+ATOM 1340 C GLU C 91 -15.603 11.452 -5.084 1.00 91.57 C
+ATOM 1341 CB GLU C 91 -14.867 9.210 -4.243 1.00 91.57 C
+ATOM 1342 O GLU C 91 -16.696 11.843 -4.670 1.00 91.57 O
+ATOM 1343 CG GLU C 91 -14.903 7.699 -4.419 1.00 91.57 C
+ATOM 1344 CD GLU C 91 -14.480 6.939 -3.172 1.00 91.57 C
+ATOM 1345 OE1 GLU C 91 -14.610 5.694 -3.146 1.00 91.57 O
+ATOM 1346 OE2 GLU C 91 -14.014 7.594 -2.213 1.00 91.57 O
+ATOM 1347 N ARG C 92 -14.624 12.185 -5.190 1.00 91.86 N
+ATOM 1348 CA ARG C 92 -14.720 13.613 -4.908 1.00 91.86 C
+ATOM 1349 C ARG C 92 -15.566 14.323 -5.960 1.00 91.86 C
+ATOM 1350 CB ARG C 92 -13.327 14.244 -4.843 1.00 91.86 C
+ATOM 1351 O ARG C 92 -16.302 15.260 -5.643 1.00 91.86 O
+ATOM 1352 CG ARG C 92 -12.560 13.912 -3.573 1.00 91.86 C
+ATOM 1353 CD ARG C 92 -11.195 14.587 -3.546 1.00 91.86 C
+ATOM 1354 NE ARG C 92 -10.379 14.109 -2.434 1.00 91.86 N
+ATOM 1355 NH1 ARG C 92 -8.468 15.234 -3.081 1.00 91.86 N
+ATOM 1356 NH2 ARG C 92 -8.455 13.935 -1.192 1.00 91.86 N
+ATOM 1357 CZ ARG C 92 -9.103 14.427 -2.238 1.00 91.86 C
+ATOM 1358 N ALA C 93 -15.488 13.879 -7.120 1.00 91.74 N
+ATOM 1359 CA ALA C 93 -16.248 14.473 -8.218 1.00 91.74 C
+ATOM 1360 C ALA C 93 -17.734 14.148 -8.095 1.00 91.74 C
+ATOM 1361 CB ALA C 93 -15.709 13.988 -9.561 1.00 91.74 C
+ATOM 1362 O ALA C 93 -18.583 14.917 -8.550 1.00 91.74 O
+ATOM 1363 N ASN C 94 -17.901 13.089 -7.526 1.00 87.24 N
+ATOM 1364 CA ASN C 94 -19.287 12.667 -7.353 1.00 87.24 C
+ATOM 1365 C ASN C 94 -19.918 13.307 -6.119 1.00 87.24 C
+ATOM 1366 CB ASN C 94 -19.378 11.142 -7.266 1.00 87.24 C
+ATOM 1367 O ASN C 94 -21.130 13.217 -5.919 1.00 87.24 O
+ATOM 1368 CG ASN C 94 -19.103 10.464 -8.594 1.00 87.24 C
+ATOM 1369 ND2 ASN C 94 -18.862 9.159 -8.554 1.00 87.24 N
+ATOM 1370 OD1 ASN C 94 -19.107 11.108 -9.646 1.00 87.24 O
+ATOM 1371 N MET C 95 -19.131 14.016 -5.292 1.00 74.65 N
+ATOM 1372 CA MET C 95 -19.659 14.725 -4.131 1.00 74.65 C
+ATOM 1373 C MET C 95 -19.918 16.192 -4.460 1.00 74.65 C
+ATOM 1374 CB MET C 95 -18.692 14.618 -2.950 1.00 74.65 C
+ATOM 1375 O MET C 95 -20.904 16.770 -4.000 1.00 74.65 O
+ATOM 1376 CG MET C 95 -18.840 13.333 -2.152 1.00 74.65 C
+ATOM 1377 SD MET C 95 -17.846 13.345 -0.609 1.00 74.65 S
+ATOM 1378 CE MET C 95 -17.936 11.590 -0.157 1.00 74.65 C
+TER 1379 MET C 95
+ENDMDL
+END
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_4_model_2_scores.json b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_4_model_2_scores.json
new file mode 100644
index 0000000000000000000000000000000000000000..a3201c7e6b7901f9fe6924af2f7b0fe216bd0119
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_4_model_2_scores.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_5_model_1.pdb b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_5_model_1.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..3555558955a721f27b1469e9b6c1e49a18ae18b5
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_5_model_1.pdb
@@ -0,0 +1,1382 @@
+MODEL 1
+ATOM 1 N MET B 1 8.317 39.011 19.688 1.00 42.34 N
+ATOM 2 CA MET B 1 8.849 37.725 19.245 1.00 42.34 C
+ATOM 3 C MET B 1 7.739 36.684 19.142 1.00 42.34 C
+ATOM 4 CB MET B 1 9.938 37.236 20.200 1.00 42.34 C
+ATOM 5 O MET B 1 7.973 35.565 18.682 1.00 42.34 O
+ATOM 6 CG MET B 1 11.341 37.665 19.802 1.00 42.34 C
+ATOM 7 SD MET B 1 12.633 36.531 20.445 1.00 42.34 S
+ATOM 8 CE MET B 1 13.720 37.723 21.276 1.00 42.34 C
+ATOM 9 N ALA B 2 6.663 36.923 19.908 1.00 50.21 N
+ATOM 10 CA ALA B 2 5.472 36.082 19.989 1.00 50.21 C
+ATOM 11 C ALA B 2 4.632 36.197 18.719 1.00 50.21 C
+ATOM 12 CB ALA B 2 4.637 36.457 21.211 1.00 50.21 C
+ATOM 13 O ALA B 2 3.979 35.234 18.311 1.00 50.21 O
+ATOM 14 N GLU B 3 4.548 37.401 18.095 1.00 53.12 N
+ATOM 15 CA GLU B 3 3.660 37.590 16.952 1.00 53.12 C
+ATOM 16 C GLU B 3 4.168 36.832 15.728 1.00 53.12 C
+ATOM 17 CB GLU B 3 3.513 39.078 16.625 1.00 53.12 C
+ATOM 18 O GLU B 3 3.379 36.423 14.874 1.00 53.12 O
+ATOM 19 CG GLU B 3 2.318 39.739 17.296 1.00 53.12 C
+ATOM 20 CD GLU B 3 2.060 41.155 16.803 1.00 53.12 C
+ATOM 21 OE1 GLU B 3 1.079 41.369 16.056 1.00 53.12 O
+ATOM 22 OE2 GLU B 3 2.848 42.057 17.167 1.00 53.12 O
+ATOM 23 N LEU B 4 5.540 36.761 15.527 1.00 57.34 N
+ATOM 24 CA LEU B 4 6.082 35.929 14.459 1.00 57.34 C
+ATOM 25 C LEU B 4 5.613 34.485 14.603 1.00 57.34 C
+ATOM 26 CB LEU B 4 7.612 35.983 14.461 1.00 57.34 C
+ATOM 27 O LEU B 4 5.489 33.766 13.608 1.00 57.34 O
+ATOM 28 CG LEU B 4 8.245 37.280 13.954 1.00 57.34 C
+ATOM 29 CD1 LEU B 4 9.734 37.308 14.286 1.00 57.34 C
+ATOM 30 CD2 LEU B 4 8.023 37.433 12.454 1.00 57.34 C
+ATOM 31 N GLY B 5 5.333 34.157 15.910 1.00 60.84 N
+ATOM 32 CA GLY B 5 5.141 32.745 16.201 1.00 60.84 C
+ATOM 33 C GLY B 5 3.789 32.222 15.755 1.00 60.84 C
+ATOM 34 O GLY B 5 3.584 31.010 15.669 1.00 60.84 O
+ATOM 35 N GLU B 6 2.836 33.215 15.639 1.00 68.86 N
+ATOM 36 CA GLU B 6 1.532 32.680 15.260 1.00 68.86 C
+ATOM 37 C GLU B 6 1.510 32.265 13.792 1.00 68.86 C
+ATOM 38 CB GLU B 6 0.430 33.706 15.533 1.00 68.86 C
+ATOM 39 O GLU B 6 0.965 31.215 13.446 1.00 68.86 O
+ATOM 40 CG GLU B 6 -0.724 33.164 16.364 1.00 68.86 C
+ATOM 41 CD GLU B 6 -1.623 34.253 16.926 1.00 68.86 C
+ATOM 42 OE1 GLU B 6 -2.822 34.295 16.569 1.00 68.86 O
+ATOM 43 OE2 GLU B 6 -1.124 35.072 17.730 1.00 68.86 O
+ATOM 44 N ALA B 7 2.015 33.173 12.858 1.00 68.56 N
+ATOM 45 CA ALA B 7 2.106 32.831 11.441 1.00 68.56 C
+ATOM 46 C ALA B 7 3.004 31.616 11.226 1.00 68.56 C
+ATOM 47 CB ALA B 7 2.625 34.021 10.638 1.00 68.56 C
+ATOM 48 O ALA B 7 2.687 30.736 10.422 1.00 68.56 O
+ATOM 49 N ASP B 8 4.091 31.670 11.883 1.00 74.65 N
+ATOM 50 CA ASP B 8 4.995 30.526 11.812 1.00 74.65 C
+ATOM 51 C ASP B 8 4.330 29.266 12.361 1.00 74.65 C
+ATOM 52 CB ASP B 8 6.287 30.816 12.579 1.00 74.65 C
+ATOM 53 O ASP B 8 4.495 28.178 11.804 1.00 74.65 O
+ATOM 54 CG ASP B 8 7.184 31.818 11.873 1.00 74.65 C
+ATOM 55 OD1 ASP B 8 6.999 32.052 10.659 1.00 74.65 O
+ATOM 56 OD2 ASP B 8 8.085 32.376 12.536 1.00 74.65 O
+ATOM 57 N GLU B 9 3.564 29.541 13.385 1.00 80.97 N
+ATOM 58 CA GLU B 9 2.839 28.415 13.966 1.00 80.97 C
+ATOM 59 C GLU B 9 1.776 27.888 13.006 1.00 80.97 C
+ATOM 60 CB GLU B 9 2.193 28.819 15.294 1.00 80.97 C
+ATOM 61 O GLU B 9 1.599 26.675 12.873 1.00 80.97 O
+ATOM 62 CG GLU B 9 1.641 27.646 16.091 1.00 80.97 C
+ATOM 63 CD GLU B 9 1.090 28.050 17.450 1.00 80.97 C
+ATOM 64 OE1 GLU B 9 0.470 27.201 18.130 1.00 80.97 O
+ATOM 65 OE2 GLU B 9 1.280 29.225 17.836 1.00 80.97 O
+ATOM 66 N ALA B 10 1.045 28.849 12.370 1.00 83.48 N
+ATOM 67 CA ALA B 10 0.026 28.463 11.397 1.00 83.48 C
+ATOM 68 C ALA B 10 0.649 27.733 10.211 1.00 83.48 C
+ATOM 69 CB ALA B 10 -0.744 29.690 10.918 1.00 83.48 C
+ATOM 70 O ALA B 10 0.097 26.744 9.723 1.00 83.48 O
+ATOM 71 N GLU B 11 1.718 28.214 9.766 1.00 83.22 N
+ATOM 72 CA GLU B 11 2.421 27.569 8.661 1.00 83.22 C
+ATOM 73 C GLU B 11 2.900 26.174 9.052 1.00 83.22 C
+ATOM 74 CB GLU B 11 3.606 28.423 8.205 1.00 83.22 C
+ATOM 75 O GLU B 11 2.785 25.230 8.268 1.00 83.22 O
+ATOM 76 CG GLU B 11 4.377 27.831 7.034 1.00 83.22 C
+ATOM 77 CD GLU B 11 3.551 27.733 5.761 1.00 83.22 C
+ATOM 78 OE1 GLU B 11 4.034 27.142 4.768 1.00 83.22 O
+ATOM 79 OE2 GLU B 11 2.412 28.251 5.756 1.00 83.22 O
+ATOM 80 N LEU B 12 3.484 26.079 10.153 1.00 83.92 N
+ATOM 81 CA LEU B 12 3.928 24.784 10.655 1.00 83.92 C
+ATOM 82 C LEU B 12 2.758 23.810 10.756 1.00 83.92 C
+ATOM 83 CB LEU B 12 4.598 24.939 12.022 1.00 83.92 C
+ATOM 84 O LEU B 12 2.878 22.646 10.367 1.00 83.92 O
+ATOM 85 CG LEU B 12 5.146 23.660 12.658 1.00 83.92 C
+ATOM 86 CD1 LEU B 12 6.267 23.082 11.802 1.00 83.92 C
+ATOM 87 CD2 LEU B 12 5.636 23.935 14.076 1.00 83.92 C
+ATOM 88 N GLN B 13 1.642 24.295 11.275 1.00 86.52 N
+ATOM 89 CA GLN B 13 0.453 23.458 11.394 1.00 86.52 C
+ATOM 90 C GLN B 13 -0.012 22.966 10.026 1.00 86.52 C
+ATOM 91 CB GLN B 13 -0.676 24.222 12.088 1.00 86.52 C
+ATOM 92 O GLN B 13 -0.416 21.810 9.881 1.00 86.52 O
+ATOM 93 CG GLN B 13 -0.471 24.394 13.587 1.00 86.52 C
+ATOM 94 CD GLN B 13 -1.564 25.221 14.238 1.00 86.52 C
+ATOM 95 NE2 GLN B 13 -1.522 25.322 15.562 1.00 86.52 N
+ATOM 96 OE1 GLN B 13 -2.438 25.765 13.556 1.00 86.52 O
+ATOM 97 N ARG B 14 0.058 23.844 9.057 1.00 88.24 N
+ATOM 98 CA ARG B 14 -0.332 23.469 7.701 1.00 88.24 C
+ATOM 99 C ARG B 14 0.605 22.406 7.136 1.00 88.24 C
+ATOM 100 CB ARG B 14 -0.345 24.695 6.786 1.00 88.24 C
+ATOM 101 O ARG B 14 0.156 21.456 6.491 1.00 88.24 O
+ATOM 102 CG ARG B 14 -1.566 25.583 6.964 1.00 88.24 C
+ATOM 103 CD ARG B 14 -1.627 26.677 5.907 1.00 88.24 C
+ATOM 104 NE ARG B 14 -2.673 27.653 6.200 1.00 88.24 N
+ATOM 105 NH1 ARG B 14 -2.120 29.075 4.466 1.00 88.24 N
+ATOM 106 NH2 ARG B 14 -3.863 29.588 5.863 1.00 88.24 N
+ATOM 107 CZ ARG B 14 -2.883 28.770 5.509 1.00 88.24 C
+ATOM 108 N LEU B 15 1.829 22.548 7.388 1.00 85.41 N
+ATOM 109 CA LEU B 15 2.812 21.587 6.899 1.00 85.41 C
+ATOM 110 C LEU B 15 2.621 20.228 7.563 1.00 85.41 C
+ATOM 111 CB LEU B 15 4.233 22.098 7.153 1.00 85.41 C
+ATOM 112 O LEU B 15 2.716 19.191 6.903 1.00 85.41 O
+ATOM 113 CG LEU B 15 4.698 23.269 6.287 1.00 85.41 C
+ATOM 114 CD1 LEU B 15 6.064 23.762 6.751 1.00 85.41 C
+ATOM 115 CD2 LEU B 15 4.740 22.864 4.817 1.00 85.41 C
+ATOM 116 N VAL B 16 2.354 20.300 8.805 1.00 87.28 N
+ATOM 117 CA VAL B 16 2.134 19.059 9.541 1.00 87.28 C
+ATOM 118 C VAL B 16 0.891 18.353 9.003 1.00 87.28 C
+ATOM 119 CB VAL B 16 1.987 19.317 11.057 1.00 87.28 C
+ATOM 120 O VAL B 16 0.897 17.135 8.809 1.00 87.28 O
+ATOM 121 CG1 VAL B 16 1.502 18.058 11.774 1.00 87.28 C
+ATOM 122 CG2 VAL B 16 3.312 19.795 11.648 1.00 87.28 C
+ATOM 123 N ALA B 17 -0.151 19.083 8.744 1.00 91.95 N
+ATOM 124 CA ALA B 17 -1.385 18.509 8.214 1.00 91.95 C
+ATOM 125 C ALA B 17 -1.157 17.896 6.835 1.00 91.95 C
+ATOM 126 CB ALA B 17 -2.480 19.570 8.147 1.00 91.95 C
+ATOM 127 O ALA B 17 -1.675 16.818 6.534 1.00 91.95 O
+ATOM 128 N ALA B 18 -0.447 18.537 6.044 1.00 90.18 N
+ATOM 129 CA ALA B 18 -0.139 18.037 4.706 1.00 90.18 C
+ATOM 130 C ALA B 18 0.662 16.741 4.776 1.00 90.18 C
+ATOM 131 CB ALA B 18 0.625 19.090 3.908 1.00 90.18 C
+ATOM 132 O ALA B 18 0.387 15.793 4.037 1.00 90.18 O
+ATOM 133 N GLU B 19 1.599 16.720 5.725 1.00 90.00 N
+ATOM 134 CA GLU B 19 2.421 15.524 5.884 1.00 90.00 C
+ATOM 135 C GLU B 19 1.595 14.352 6.406 1.00 90.00 C
+ATOM 136 CB GLU B 19 3.596 15.800 6.826 1.00 90.00 C
+ATOM 137 O GLU B 19 1.827 13.203 6.024 1.00 90.00 O
+ATOM 138 CG GLU B 19 4.634 14.688 6.857 1.00 90.00 C
+ATOM 139 CD GLU B 19 5.268 14.421 5.501 1.00 90.00 C
+ATOM 140 OE1 GLU B 19 5.732 13.283 5.261 1.00 90.00 O
+ATOM 141 OE2 GLU B 19 5.301 15.358 4.672 1.00 90.00 O
+ATOM 142 N GLN B 20 0.669 14.647 7.216 1.00 91.23 N
+ATOM 143 CA GLN B 20 -0.207 13.614 7.760 1.00 91.23 C
+ATOM 144 C GLN B 20 -1.079 13.002 6.667 1.00 91.23 C
+ATOM 145 CB GLN B 20 -1.085 14.186 8.874 1.00 91.23 C
+ATOM 146 O GLN B 20 -1.286 11.787 6.639 1.00 91.23 O
+ATOM 147 CG GLN B 20 -0.355 14.376 10.196 1.00 91.23 C
+ATOM 148 CD GLN B 20 -1.245 14.953 11.281 1.00 91.23 C
+ATOM 149 NE2 GLN B 20 -0.760 14.934 12.518 1.00 91.23 N
+ATOM 150 OE1 GLN B 20 -2.358 15.413 11.009 1.00 91.23 O
+ATOM 151 N GLN B 21 -1.579 13.771 5.764 1.00 93.77 N
+ATOM 152 CA GLN B 21 -2.386 13.287 4.649 1.00 93.77 C
+ATOM 153 C GLN B 21 -1.567 12.388 3.727 1.00 93.77 C
+ATOM 154 CB GLN B 21 -2.969 14.459 3.858 1.00 93.77 C
+ATOM 155 O GLN B 21 -2.046 11.342 3.285 1.00 93.77 O
+ATOM 156 CG GLN B 21 -4.085 15.196 4.585 1.00 93.77 C
+ATOM 157 CD GLN B 21 -4.669 16.332 3.766 1.00 93.77 C
+ATOM 158 NE2 GLN B 21 -5.994 16.433 3.751 1.00 93.77 N
+ATOM 159 OE1 GLN B 21 -3.935 17.113 3.152 1.00 93.77 O
+ATOM 160 N LYS B 22 -0.394 12.839 3.532 1.00 93.00 N
+ATOM 161 CA LYS B 22 0.493 12.033 2.697 1.00 93.00 C
+ATOM 162 C LYS B 22 0.773 10.678 3.341 1.00 93.00 C
+ATOM 163 CB LYS B 22 1.806 12.773 2.438 1.00 93.00 C
+ATOM 164 O LYS B 22 0.773 9.650 2.661 1.00 93.00 O
+ATOM 165 CG LYS B 22 2.724 12.076 1.445 1.00 93.00 C
+ATOM 166 CD LYS B 22 3.986 12.888 1.184 1.00 93.00 C
+ATOM 167 CE LYS B 22 4.951 12.145 0.270 1.00 93.00 C
+ATOM 168 NZ LYS B 22 6.208 12.920 0.046 1.00 93.00 N
+ATOM 169 N ALA B 23 1.045 10.698 4.626 1.00 92.95 N
+ATOM 170 CA ALA B 23 1.327 9.467 5.360 1.00 92.95 C
+ATOM 171 C ALA B 23 0.129 8.523 5.328 1.00 92.95 C
+ATOM 172 CB ALA B 23 1.713 9.784 6.803 1.00 92.95 C
+ATOM 173 O ALA B 23 0.291 7.307 5.196 1.00 92.95 O
+ATOM 174 N GLN B 24 -1.068 9.056 5.420 1.00 95.14 N
+ATOM 175 CA GLN B 24 -2.276 8.240 5.375 1.00 95.14 C
+ATOM 176 C GLN B 24 -2.455 7.598 4.002 1.00 95.14 C
+ATOM 177 CB GLN B 24 -3.505 9.080 5.726 1.00 95.14 C
+ATOM 178 O GLN B 24 -2.839 6.430 3.903 1.00 95.14 O
+ATOM 179 CG GLN B 24 -3.626 9.404 7.208 1.00 95.14 C
+ATOM 180 CD GLN B 24 -4.808 10.303 7.519 1.00 95.14 C
+ATOM 181 NE2 GLN B 24 -4.969 10.654 8.790 1.00 95.14 N
+ATOM 182 OE1 GLN B 24 -5.570 10.680 6.623 1.00 95.14 O
+ATOM 183 N PHE B 25 -2.205 8.409 3.000 1.00 96.07 N
+ATOM 184 CA PHE B 25 -2.278 7.881 1.642 1.00 96.07 C
+ATOM 185 C PHE B 25 -1.309 6.719 1.461 1.00 96.07 C
+ATOM 186 CB PHE B 25 -1.976 8.981 0.619 1.00 96.07 C
+ATOM 187 O PHE B 25 -1.691 5.657 0.963 1.00 96.07 O
+ATOM 188 CG PHE B 25 -2.043 8.515 -0.810 1.00 96.07 C
+ATOM 189 CD1 PHE B 25 -0.922 7.985 -1.436 1.00 96.07 C
+ATOM 190 CD2 PHE B 25 -3.228 8.608 -1.528 1.00 96.07 C
+ATOM 191 CE1 PHE B 25 -0.981 7.553 -2.759 1.00 96.07 C
+ATOM 192 CE2 PHE B 25 -3.295 8.178 -2.850 1.00 96.07 C
+ATOM 193 CZ PHE B 25 -2.170 7.652 -3.464 1.00 96.07 C
+ATOM 194 N THR B 26 -0.047 6.896 1.854 1.00 95.71 N
+ATOM 195 CA THR B 26 0.990 5.878 1.727 1.00 95.71 C
+ATOM 196 C THR B 26 0.615 4.623 2.509 1.00 95.71 C
+ATOM 197 CB THR B 26 2.352 6.404 2.217 1.00 95.71 C
+ATOM 198 O THR B 26 0.799 3.504 2.023 1.00 95.71 O
+ATOM 199 CG2 THR B 26 3.434 5.338 2.080 1.00 95.71 C
+ATOM 200 OG1 THR B 26 2.724 7.548 1.439 1.00 95.71 O
+ATOM 201 N ALA B 27 0.092 4.810 3.679 1.00 96.22 N
+ATOM 202 CA ALA B 27 -0.321 3.674 4.500 1.00 96.22 C
+ATOM 203 C ALA B 27 -1.422 2.872 3.812 1.00 96.22 C
+ATOM 204 CB ALA B 27 -0.792 4.152 5.871 1.00 96.22 C
+ATOM 205 O ALA B 27 -1.417 1.639 3.851 1.00 96.22 O
+ATOM 206 N GLN B 28 -2.309 3.560 3.209 1.00 97.50 N
+ATOM 207 CA GLN B 28 -3.396 2.877 2.515 1.00 97.50 C
+ATOM 208 C GLN B 28 -2.879 2.125 1.292 1.00 97.50 C
+ATOM 209 CB GLN B 28 -4.478 3.874 2.099 1.00 97.50 C
+ATOM 210 O GLN B 28 -3.344 1.022 0.994 1.00 97.50 O
+ATOM 211 CG GLN B 28 -5.802 3.223 1.722 1.00 97.50 C
+ATOM 212 CD GLN B 28 -6.418 2.439 2.865 1.00 97.50 C
+ATOM 213 NE2 GLN B 28 -6.913 1.243 2.565 1.00 97.50 N
+ATOM 214 OE1 GLN B 28 -6.447 2.903 4.009 1.00 97.50 O
+ATOM 215 N VAL B 29 -1.958 2.745 0.665 1.00 98.16 N
+ATOM 216 CA VAL B 29 -1.369 2.068 -0.486 1.00 98.16 C
+ATOM 217 C VAL B 29 -0.673 0.787 -0.032 1.00 98.16 C
+ATOM 218 CB VAL B 29 -0.371 2.982 -1.232 1.00 98.16 C
+ATOM 219 O VAL B 29 -0.780 -0.251 -0.689 1.00 98.16 O
+ATOM 220 CG1 VAL B 29 0.346 2.209 -2.337 1.00 98.16 C
+ATOM 221 CG2 VAL B 29 -1.092 4.199 -1.809 1.00 98.16 C
+ATOM 222 N HIS B 30 0.087 0.804 1.078 1.00 97.43 N
+ATOM 223 CA HIS B 30 0.697 -0.399 1.632 1.00 97.43 C
+ATOM 224 C HIS B 30 -0.351 -1.473 1.904 1.00 97.43 C
+ATOM 225 CB HIS B 30 1.458 -0.071 2.918 1.00 97.43 C
+ATOM 226 O HIS B 30 -0.123 -2.653 1.630 1.00 97.43 O
+ATOM 227 CG HIS B 30 2.800 0.544 2.681 1.00 97.43 C
+ATOM 228 CD2 HIS B 30 3.320 1.728 3.084 1.00 97.43 C
+ATOM 229 ND1 HIS B 30 3.783 -0.076 1.940 1.00 97.43 N
+ATOM 230 CE1 HIS B 30 4.852 0.701 1.900 1.00 97.43 C
+ATOM 231 NE2 HIS B 30 4.597 1.801 2.586 1.00 97.43 N
+ATOM 232 N HIS B 31 -1.432 -1.041 2.395 1.00 97.81 N
+ATOM 233 CA HIS B 31 -2.499 -1.992 2.687 1.00 97.81 C
+ATOM 234 C HIS B 31 -3.031 -2.632 1.409 1.00 97.81 C
+ATOM 235 CB HIS B 31 -3.638 -1.304 3.443 1.00 97.81 C
+ATOM 236 O HIS B 31 -3.223 -3.849 1.352 1.00 97.81 O
+ATOM 237 CG HIS B 31 -4.754 -2.227 3.815 1.00 97.81 C
+ATOM 238 CD2 HIS B 31 -6.050 -2.258 3.423 1.00 97.81 C
+ATOM 239 ND1 HIS B 31 -4.593 -3.272 4.698 1.00 97.81 N
+ATOM 240 CE1 HIS B 31 -5.744 -3.908 4.834 1.00 97.81 C
+ATOM 241 NE2 HIS B 31 -6.645 -3.313 4.070 1.00 97.81 N
+ATOM 242 N PHE B 32 -3.264 -1.821 0.435 1.00 98.67 N
+ATOM 243 CA PHE B 32 -3.705 -2.355 -0.848 1.00 98.67 C
+ATOM 244 C PHE B 32 -2.676 -3.327 -1.413 1.00 98.67 C
+ATOM 245 CB PHE B 32 -3.960 -1.221 -1.845 1.00 98.67 C
+ATOM 246 O PHE B 32 -3.035 -4.381 -1.942 1.00 98.67 O
+ATOM 247 CG PHE B 32 -5.127 -0.343 -1.481 1.00 98.67 C
+ATOM 248 CD1 PHE B 32 -6.216 -0.861 -0.791 1.00 98.67 C
+ATOM 249 CD2 PHE B 32 -5.135 1.001 -1.830 1.00 98.67 C
+ATOM 250 CE1 PHE B 32 -7.297 -0.051 -0.452 1.00 98.67 C
+ATOM 251 CE2 PHE B 32 -6.212 1.817 -1.495 1.00 98.67 C
+ATOM 252 CZ PHE B 32 -7.292 1.289 -0.807 1.00 98.67 C
+ATOM 253 N MET B 33 -1.433 -2.960 -1.285 1.00 98.55 N
+ATOM 254 CA MET B 33 -0.363 -3.819 -1.786 1.00 98.55 C
+ATOM 255 C MET B 33 -0.393 -5.180 -1.099 1.00 98.55 C
+ATOM 256 CB MET B 33 1.000 -3.157 -1.578 1.00 98.55 C
+ATOM 257 O MET B 33 -0.173 -6.209 -1.741 1.00 98.55 O
+ATOM 258 CG MET B 33 1.329 -2.093 -2.611 1.00 98.55 C
+ATOM 259 SD MET B 33 1.381 -2.763 -4.319 1.00 98.55 S
+ATOM 260 CE MET B 33 2.845 -3.828 -4.200 1.00 98.55 C
+ATOM 261 N GLU B 34 -0.637 -5.218 0.149 1.00 97.31 N
+ATOM 262 CA GLU B 34 -0.710 -6.466 0.903 1.00 97.31 C
+ATOM 263 C GLU B 34 -1.802 -7.380 0.353 1.00 97.31 C
+ATOM 264 CB GLU B 34 -0.957 -6.185 2.387 1.00 97.31 C
+ATOM 265 O GLU B 34 -1.599 -8.589 0.222 1.00 97.31 O
+ATOM 266 CG GLU B 34 0.272 -5.684 3.131 1.00 97.31 C
+ATOM 267 CD GLU B 34 0.049 -5.537 4.628 1.00 97.31 C
+ATOM 268 OE1 GLU B 34 1.000 -5.158 5.349 1.00 97.31 O
+ATOM 269 OE2 GLU B 34 -1.085 -5.803 5.083 1.00 97.31 O
+ATOM 270 N LEU B 35 -2.847 -6.789 -0.045 1.00 98.31 N
+ATOM 271 CA LEU B 35 -3.994 -7.564 -0.506 1.00 98.31 C
+ATOM 272 C LEU B 35 -3.877 -7.875 -1.994 1.00 98.31 C
+ATOM 273 CB LEU B 35 -5.297 -6.807 -0.232 1.00 98.31 C
+ATOM 274 O LEU B 35 -3.984 -9.035 -2.400 1.00 98.31 O
+ATOM 275 CG LEU B 35 -5.648 -6.573 1.238 1.00 98.31 C
+ATOM 276 CD1 LEU B 35 -6.800 -5.580 1.356 1.00 98.31 C
+ATOM 277 CD2 LEU B 35 -6.000 -7.890 1.921 1.00 98.31 C
+ATOM 278 N CYS B 36 -3.599 -6.907 -2.733 1.00 98.78 N
+ATOM 279 CA CYS B 36 -3.684 -7.016 -4.185 1.00 98.78 C
+ATOM 280 C CYS B 36 -2.482 -7.766 -4.747 1.00 98.78 C
+ATOM 281 CB CYS B 36 -3.776 -5.630 -4.823 1.00 98.78 C
+ATOM 282 O CYS B 36 -2.603 -8.485 -5.741 1.00 98.78 O
+ATOM 283 SG CYS B 36 -5.266 -4.717 -4.368 1.00 98.78 S
+ATOM 284 N TRP B 37 -1.318 -7.660 -4.124 1.00 98.39 N
+ATOM 285 CA TRP B 37 -0.132 -8.388 -4.563 1.00 98.39 C
+ATOM 286 C TRP B 37 -0.393 -9.890 -4.586 1.00 98.39 C
+ATOM 287 CB TRP B 37 1.059 -8.077 -3.652 1.00 98.39 C
+ATOM 288 O TRP B 37 -0.144 -10.555 -5.595 1.00 98.39 O
+ATOM 289 CG TRP B 37 2.295 -8.860 -3.977 1.00 98.39 C
+ATOM 290 CD1 TRP B 37 2.684 -10.051 -3.429 1.00 98.39 C
+ATOM 291 CD2 TRP B 37 3.308 -8.504 -4.923 1.00 98.39 C
+ATOM 292 CE2 TRP B 37 4.282 -9.527 -4.897 1.00 98.39 C
+ATOM 293 CE3 TRP B 37 3.486 -7.419 -5.791 1.00 98.39 C
+ATOM 294 NE1 TRP B 37 3.878 -10.457 -3.978 1.00 98.39 N
+ATOM 295 CH2 TRP B 37 5.569 -8.422 -6.548 1.00 98.39 C
+ATOM 296 CZ2 TRP B 37 5.419 -9.495 -5.708 1.00 98.39 C
+ATOM 297 CZ3 TRP B 37 4.618 -7.390 -6.597 1.00 98.39 C
+ATOM 298 N ASP B 38 -0.931 -10.403 -3.573 1.00 96.19 N
+ATOM 299 CA ASP B 38 -1.173 -11.836 -3.445 1.00 96.19 C
+ATOM 300 C ASP B 38 -2.265 -12.296 -4.408 1.00 96.19 C
+ATOM 301 CB ASP B 38 -1.558 -12.189 -2.006 1.00 96.19 C
+ATOM 302 O ASP B 38 -2.207 -13.409 -4.935 1.00 96.19 O
+ATOM 303 CG ASP B 38 -0.385 -12.117 -1.045 1.00 96.19 C
+ATOM 304 OD1 ASP B 38 0.779 -12.118 -1.501 1.00 96.19 O
+ATOM 305 OD2 ASP B 38 -0.626 -12.062 0.181 1.00 96.19 O
+ATOM 306 N LYS B 39 -3.116 -11.478 -4.692 1.00 97.86 N
+ATOM 307 CA LYS B 39 -4.246 -11.841 -5.542 1.00 97.86 C
+ATOM 308 C LYS B 39 -3.873 -11.756 -7.019 1.00 97.86 C
+ATOM 309 CB LYS B 39 -5.447 -10.940 -5.253 1.00 97.86 C
+ATOM 310 O LYS B 39 -4.381 -12.524 -7.839 1.00 97.86 O
+ATOM 311 CG LYS B 39 -6.323 -11.424 -4.106 1.00 97.86 C
+ATOM 312 CD LYS B 39 -7.543 -10.531 -3.919 1.00 97.86 C
+ATOM 313 CE LYS B 39 -8.305 -10.884 -2.649 1.00 97.86 C
+ATOM 314 NZ LYS B 39 -9.183 -12.076 -2.843 1.00 97.86 N
+ATOM 315 N CYS B 40 -3.018 -10.893 -7.305 1.00 98.46 N
+ATOM 316 CA CYS B 40 -2.875 -10.564 -8.719 1.00 98.46 C
+ATOM 317 C CYS B 40 -1.506 -10.984 -9.241 1.00 98.46 C
+ATOM 318 CB CYS B 40 -3.079 -9.066 -8.944 1.00 98.46 C
+ATOM 319 O CYS B 40 -1.329 -11.180 -10.444 1.00 98.46 O
+ATOM 320 SG CYS B 40 -4.741 -8.489 -8.536 1.00 98.46 S
+ATOM 321 N VAL B 41 -0.455 -11.037 -8.365 1.00 97.38 N
+ATOM 322 CA VAL B 41 0.897 -11.321 -8.833 1.00 97.38 C
+ATOM 323 C VAL B 41 1.272 -12.761 -8.489 1.00 97.38 C
+ATOM 324 CB VAL B 41 1.926 -10.343 -8.221 1.00 97.38 C
+ATOM 325 O VAL B 41 1.556 -13.076 -7.331 1.00 97.38 O
+ATOM 326 CG1 VAL B 41 3.325 -10.621 -8.767 1.00 97.38 C
+ATOM 327 CG2 VAL B 41 1.517 -8.898 -8.500 1.00 97.38 C
+ATOM 328 N GLU B 42 1.386 -13.588 -9.521 1.00 93.06 N
+ATOM 329 CA GLU B 42 1.711 -14.994 -9.304 1.00 93.06 C
+ATOM 330 C GLU B 42 3.221 -15.210 -9.261 1.00 93.06 C
+ATOM 331 CB GLU B 42 1.086 -15.866 -10.397 1.00 93.06 C
+ATOM 332 O GLU B 42 3.739 -15.822 -8.324 1.00 93.06 O
+ATOM 333 CG GLU B 42 1.159 -17.358 -10.110 1.00 93.06 C
+ATOM 334 CD GLU B 42 0.412 -18.203 -11.129 1.00 93.06 C
+ATOM 335 OE1 GLU B 42 0.426 -19.449 -11.012 1.00 93.06 O
+ATOM 336 OE2 GLU B 42 -0.191 -17.613 -12.054 1.00 93.06 O
+ATOM 337 N LYS B 43 3.946 -14.840 -10.170 1.00 91.46 N
+ATOM 338 CA LYS B 43 5.399 -14.940 -10.267 1.00 91.46 C
+ATOM 339 C LYS B 43 5.998 -13.673 -10.870 1.00 91.46 C
+ATOM 340 CB LYS B 43 5.799 -16.157 -11.103 1.00 91.46 C
+ATOM 341 O LYS B 43 5.490 -13.152 -11.865 1.00 91.46 O
+ATOM 342 CG LYS B 43 5.593 -17.489 -10.395 1.00 91.46 C
+ATOM 343 CD LYS B 43 6.118 -18.651 -11.228 1.00 91.46 C
+ATOM 344 CE LYS B 43 5.990 -19.974 -10.485 1.00 91.46 C
+ATOM 345 NZ LYS B 43 5.510 -21.069 -11.382 1.00 91.46 N
+ATOM 346 N PRO B 44 7.094 -13.337 -10.202 1.00 91.39 N
+ATOM 347 CA PRO B 44 7.736 -12.146 -10.763 1.00 91.39 C
+ATOM 348 C PRO B 44 8.408 -12.416 -12.108 1.00 91.39 C
+ATOM 349 CB PRO B 44 8.773 -11.771 -9.701 1.00 91.39 C
+ATOM 350 O PRO B 44 9.214 -13.342 -12.224 1.00 91.39 O
+ATOM 351 CG PRO B 44 8.973 -13.020 -8.905 1.00 91.39 C
+ATOM 352 CD PRO B 44 7.768 -13.898 -9.083 1.00 91.39 C
+ATOM 353 N GLY B 45 7.935 -11.667 -13.203 1.00 91.10 N
+ATOM 354 CA GLY B 45 8.499 -11.821 -14.535 1.00 91.10 C
+ATOM 355 C GLY B 45 9.357 -10.645 -14.959 1.00 91.10 C
+ATOM 356 O GLY B 45 9.815 -9.869 -14.119 1.00 91.10 O
+ATOM 357 N ASN B 46 9.684 -10.639 -16.193 1.00 93.15 N
+ATOM 358 CA ASN B 46 10.572 -9.621 -16.743 1.00 93.15 C
+ATOM 359 C ASN B 46 9.893 -8.255 -16.799 1.00 93.15 C
+ATOM 360 CB ASN B 46 11.058 -10.029 -18.135 1.00 93.15 C
+ATOM 361 O ASN B 46 10.565 -7.222 -16.780 1.00 93.15 O
+ATOM 362 CG ASN B 46 12.259 -9.224 -18.594 1.00 93.15 C
+ATOM 363 ND2 ASN B 46 12.158 -8.630 -19.777 1.00 93.15 N
+ATOM 364 OD1 ASN B 46 13.269 -9.139 -17.891 1.00 93.15 O
+ATOM 365 N ARG B 47 8.561 -8.366 -16.863 1.00 94.72 N
+ATOM 366 CA ARG B 47 7.775 -7.136 -16.867 1.00 94.72 C
+ATOM 367 C ARG B 47 6.407 -7.358 -16.230 1.00 94.72 C
+ATOM 368 CB ARG B 47 7.610 -6.608 -18.293 1.00 94.72 C
+ATOM 369 O ARG B 47 5.961 -8.498 -16.087 1.00 94.72 O
+ATOM 370 CG ARG B 47 6.898 -7.572 -19.229 1.00 94.72 C
+ATOM 371 CD ARG B 47 6.821 -7.028 -20.648 1.00 94.72 C
+ATOM 372 NE ARG B 47 6.094 -7.933 -21.534 1.00 94.72 N
+ATOM 373 NH1 ARG B 47 4.450 -6.406 -22.084 1.00 94.72 N
+ATOM 374 NH2 ARG B 47 4.404 -8.518 -22.975 1.00 94.72 N
+ATOM 375 CZ ARG B 47 4.984 -7.617 -22.195 1.00 94.72 C
+ATOM 376 N LEU B 48 5.890 -6.273 -15.775 1.00 96.15 N
+ATOM 377 CA LEU B 48 4.498 -6.327 -15.341 1.00 96.15 C
+ATOM 378 C LEU B 48 3.554 -6.322 -16.538 1.00 96.15 C
+ATOM 379 CB LEU B 48 4.178 -5.148 -14.418 1.00 96.15 C
+ATOM 380 O LEU B 48 3.301 -5.270 -17.130 1.00 96.15 O
+ATOM 381 CG LEU B 48 2.881 -5.250 -13.613 1.00 96.15 C
+ATOM 382 CD1 LEU B 48 2.997 -6.345 -12.558 1.00 96.15 C
+ATOM 383 CD2 LEU B 48 2.546 -3.910 -12.967 1.00 96.15 C
+ATOM 384 N ASP B 49 2.930 -7.506 -16.794 1.00 95.29 N
+ATOM 385 CA ASP B 49 2.102 -7.610 -17.991 1.00 95.29 C
+ATOM 386 C ASP B 49 0.766 -6.896 -17.799 1.00 95.29 C
+ATOM 387 CB ASP B 49 1.867 -9.078 -18.355 1.00 95.29 C
+ATOM 388 O ASP B 49 0.370 -6.602 -16.669 1.00 95.29 O
+ATOM 389 CG ASP B 49 1.089 -9.835 -17.293 1.00 95.29 C
+ATOM 390 OD1 ASP B 49 -0.160 -9.830 -17.332 1.00 95.29 O
+ATOM 391 OD2 ASP B 49 1.732 -10.440 -16.408 1.00 95.29 O
+ATOM 392 N SER B 50 0.112 -6.625 -18.900 1.00 96.67 N
+ATOM 393 CA SER B 50 -1.110 -5.827 -18.916 1.00 96.67 C
+ATOM 394 C SER B 50 -2.213 -6.491 -18.099 1.00 96.67 C
+ATOM 395 CB SER B 50 -1.588 -5.607 -20.351 1.00 96.67 C
+ATOM 396 O SER B 50 -2.973 -5.812 -17.405 1.00 96.67 O
+ATOM 397 OG SER B 50 -2.710 -4.741 -20.380 1.00 96.67 O
+ATOM 398 N ARG B 51 -2.271 -7.817 -18.142 1.00 97.35 N
+ATOM 399 CA ARG B 51 -3.290 -8.556 -17.403 1.00 97.35 C
+ATOM 400 C ARG B 51 -3.133 -8.351 -15.900 1.00 97.35 C
+ATOM 401 CB ARG B 51 -3.223 -10.047 -17.738 1.00 97.35 C
+ATOM 402 O ARG B 51 -4.116 -8.116 -15.194 1.00 97.35 O
+ATOM 403 CG ARG B 51 -4.269 -10.887 -17.023 1.00 97.35 C
+ATOM 404 CD ARG B 51 -4.200 -12.350 -17.440 1.00 97.35 C
+ATOM 405 NE ARG B 51 -5.301 -13.125 -16.875 1.00 97.35 N
+ATOM 406 NH1 ARG B 51 -5.361 -14.676 -18.586 1.00 97.35 N
+ATOM 407 NH2 ARG B 51 -6.827 -14.840 -16.831 1.00 97.35 N
+ATOM 408 CZ ARG B 51 -5.827 -14.212 -17.432 1.00 97.35 C
+ATOM 409 N THR B 52 -1.889 -8.478 -15.422 1.00 98.10 N
+ATOM 410 CA THR B 52 -1.598 -8.291 -14.005 1.00 98.10 C
+ATOM 411 C THR B 52 -1.863 -6.848 -13.584 1.00 98.10 C
+ATOM 412 CB THR B 52 -0.139 -8.663 -13.680 1.00 98.10 C
+ATOM 413 O THR B 52 -2.419 -6.601 -12.512 1.00 98.10 O
+ATOM 414 CG2 THR B 52 0.140 -8.537 -12.186 1.00 98.10 C
+ATOM 415 OG1 THR B 52 0.105 -10.015 -14.089 1.00 98.10 O
+ATOM 416 N GLU B 53 -1.482 -5.882 -14.390 1.00 98.10 N
+ATOM 417 CA GLU B 53 -1.734 -4.472 -14.108 1.00 98.10 C
+ATOM 418 C GLU B 53 -3.228 -4.197 -13.965 1.00 98.10 C
+ATOM 419 CB GLU B 53 -1.139 -3.589 -15.207 1.00 98.10 C
+ATOM 420 O GLU B 53 -3.648 -3.481 -13.053 1.00 98.10 O
+ATOM 421 CG GLU B 53 -1.161 -2.102 -14.881 1.00 98.10 C
+ATOM 422 CD GLU B 53 -0.435 -1.251 -15.910 1.00 98.10 C
+ATOM 423 OE1 GLU B 53 -0.399 -0.009 -15.754 1.00 98.10 O
+ATOM 424 OE2 GLU B 53 0.101 -1.830 -16.881 1.00 98.10 O
+ATOM 425 N ASN B 54 -3.978 -4.769 -14.887 1.00 98.58 N
+ATOM 426 CA ASN B 54 -5.425 -4.595 -14.809 1.00 98.58 C
+ATOM 427 C ASN B 54 -6.000 -5.239 -13.551 1.00 98.58 C
+ATOM 428 CB ASN B 54 -6.102 -5.168 -16.056 1.00 98.58 C
+ATOM 429 O ASN B 54 -6.905 -4.686 -12.924 1.00 98.58 O
+ATOM 430 CG ASN B 54 -5.831 -4.344 -17.299 1.00 98.58 C
+ATOM 431 ND2 ASN B 54 -5.875 -4.988 -18.459 1.00 98.58 N
+ATOM 432 OD1 ASN B 54 -5.583 -3.138 -17.217 1.00 98.58 O
+ATOM 433 N CYS B 55 -5.508 -6.415 -13.256 1.00 98.83 N
+ATOM 434 CA CYS B 55 -5.935 -7.089 -12.035 1.00 98.83 C
+ATOM 435 C CYS B 55 -5.663 -6.223 -10.810 1.00 98.83 C
+ATOM 436 CB CYS B 55 -5.224 -8.434 -11.887 1.00 98.83 C
+ATOM 437 O CYS B 55 -6.533 -6.062 -9.953 1.00 98.83 O
+ATOM 438 SG CYS B 55 -5.645 -9.317 -10.369 1.00 98.83 S
+ATOM 439 N LEU B 56 -4.487 -5.615 -10.730 1.00 98.87 N
+ATOM 440 CA LEU B 56 -4.102 -4.772 -9.603 1.00 98.87 C
+ATOM 441 C LEU B 56 -5.022 -3.561 -9.490 1.00 98.87 C
+ATOM 442 CB LEU B 56 -2.649 -4.312 -9.750 1.00 98.87 C
+ATOM 443 O LEU B 56 -5.494 -3.234 -8.399 1.00 98.87 O
+ATOM 444 CG LEU B 56 -1.575 -5.379 -9.535 1.00 98.87 C
+ATOM 445 CD1 LEU B 56 -0.225 -4.882 -10.040 1.00 98.87 C
+ATOM 446 CD2 LEU B 56 -1.491 -5.765 -8.061 1.00 98.87 C
+ATOM 447 N SER B 57 -5.262 -2.912 -10.587 1.00 98.80 N
+ATOM 448 CA SER B 57 -6.150 -1.754 -10.587 1.00 98.80 C
+ATOM 449 C SER B 57 -7.558 -2.137 -10.145 1.00 98.80 C
+ATOM 450 CB SER B 57 -6.198 -1.116 -11.976 1.00 98.80 C
+ATOM 451 O SER B 57 -8.165 -1.450 -9.321 1.00 98.80 O
+ATOM 452 OG SER B 57 -4.920 -0.632 -12.352 1.00 98.80 O
+ATOM 453 N SER B 58 -8.039 -3.245 -10.689 1.00 98.84 N
+ATOM 454 CA SER B 58 -9.374 -3.707 -10.319 1.00 98.84 C
+ATOM 455 C SER B 58 -9.432 -4.110 -8.850 1.00 98.84 C
+ATOM 456 CB SER B 58 -9.796 -4.885 -11.197 1.00 98.84 C
+ATOM 457 O SER B 58 -10.452 -3.912 -8.186 1.00 98.84 O
+ATOM 458 OG SER B 58 -9.945 -4.480 -12.547 1.00 98.84 O
+ATOM 459 N CYS B 59 -8.406 -4.734 -8.381 1.00 98.87 N
+ATOM 460 CA CYS B 59 -8.315 -5.152 -6.987 1.00 98.87 C
+ATOM 461 C CYS B 59 -8.520 -3.969 -6.048 1.00 98.87 C
+ATOM 462 CB CYS B 59 -6.961 -5.805 -6.710 1.00 98.87 C
+ATOM 463 O CYS B 59 -9.296 -4.055 -5.095 1.00 98.87 O
+ATOM 464 SG CYS B 59 -6.753 -6.354 -5.002 1.00 98.87 S
+ATOM 465 N VAL B 60 -7.924 -2.864 -6.335 1.00 98.82 N
+ATOM 466 CA VAL B 60 -8.066 -1.659 -5.524 1.00 98.82 C
+ATOM 467 C VAL B 60 -9.525 -1.209 -5.518 1.00 98.82 C
+ATOM 468 CB VAL B 60 -7.158 -0.519 -6.038 1.00 98.82 C
+ATOM 469 O VAL B 60 -10.115 -1.008 -4.454 1.00 98.82 O
+ATOM 470 CG1 VAL B 60 -7.441 0.778 -5.283 1.00 98.82 C
+ATOM 471 CG2 VAL B 60 -5.687 -0.908 -5.906 1.00 98.82 C
+ATOM 472 N ASP B 61 -10.125 -1.124 -6.687 1.00 98.64 N
+ATOM 473 CA ASP B 61 -11.502 -0.658 -6.824 1.00 98.64 C
+ATOM 474 C ASP B 61 -12.467 -1.568 -6.067 1.00 98.64 C
+ATOM 475 CB ASP B 61 -11.899 -0.582 -8.299 1.00 98.64 C
+ATOM 476 O ASP B 61 -13.333 -1.089 -5.332 1.00 98.64 O
+ATOM 477 CG ASP B 61 -11.285 0.606 -9.018 1.00 98.64 C
+ATOM 478 OD1 ASP B 61 -11.027 1.644 -8.371 1.00 98.64 O
+ATOM 479 OD2 ASP B 61 -11.060 0.505 -10.244 1.00 98.64 O
+ATOM 480 N ARG B 62 -12.213 -2.790 -6.218 1.00 98.70 N
+ATOM 481 CA ARG B 62 -13.148 -3.739 -5.622 1.00 98.70 C
+ATOM 482 C ARG B 62 -13.010 -3.763 -4.104 1.00 98.70 C
+ATOM 483 CB ARG B 62 -12.927 -5.142 -6.191 1.00 98.70 C
+ATOM 484 O ARG B 62 -13.990 -3.986 -3.390 1.00 98.70 O
+ATOM 485 CG ARG B 62 -13.387 -5.302 -7.631 1.00 98.70 C
+ATOM 486 CD ARG B 62 -14.890 -5.104 -7.769 1.00 98.70 C
+ATOM 487 NE ARG B 62 -15.231 -3.701 -7.985 1.00 98.70 N
+ATOM 488 NH1 ARG B 62 -15.690 -3.946 -10.236 1.00 98.70 N
+ATOM 489 NH2 ARG B 62 -15.892 -1.893 -9.237 1.00 98.70 N
+ATOM 490 CZ ARG B 62 -15.603 -3.183 -9.153 1.00 98.70 C
+ATOM 491 N PHE B 63 -11.797 -3.535 -3.628 1.00 98.67 N
+ATOM 492 CA PHE B 63 -11.644 -3.458 -2.180 1.00 98.67 C
+ATOM 493 C PHE B 63 -12.423 -2.276 -1.615 1.00 98.67 C
+ATOM 494 CB PHE B 63 -10.165 -3.342 -1.799 1.00 98.67 C
+ATOM 495 O PHE B 63 -13.093 -2.401 -0.589 1.00 98.67 O
+ATOM 496 CG PHE B 63 -9.917 -3.361 -0.315 1.00 98.67 C
+ATOM 497 CD1 PHE B 63 -9.741 -2.176 0.389 1.00 98.67 C
+ATOM 498 CD2 PHE B 63 -9.859 -4.564 0.376 1.00 98.67 C
+ATOM 499 CE1 PHE B 63 -9.511 -2.189 1.763 1.00 98.67 C
+ATOM 500 CE2 PHE B 63 -9.629 -4.585 1.749 1.00 98.67 C
+ATOM 501 CZ PHE B 63 -9.455 -3.397 2.440 1.00 98.67 C
+ATOM 502 N ILE B 64 -12.306 -1.184 -2.256 1.00 98.17 N
+ATOM 503 CA ILE B 64 -13.021 0.002 -1.798 1.00 98.17 C
+ATOM 504 C ILE B 64 -14.527 -0.239 -1.880 1.00 98.17 C
+ATOM 505 CB ILE B 64 -12.633 1.250 -2.622 1.00 98.17 C
+ATOM 506 O ILE B 64 -15.264 0.077 -0.943 1.00 98.17 O
+ATOM 507 CG1 ILE B 64 -11.152 1.587 -2.414 1.00 98.17 C
+ATOM 508 CG2 ILE B 64 -13.523 2.440 -2.253 1.00 98.17 C
+ATOM 509 CD1 ILE B 64 -10.635 2.693 -3.324 1.00 98.17 C
+ATOM 510 N ASP B 65 -14.964 -0.866 -2.960 1.00 98.31 N
+ATOM 511 CA ASP B 65 -16.378 -1.203 -3.096 1.00 98.31 C
+ATOM 512 C ASP B 65 -16.835 -2.123 -1.967 1.00 98.31 C
+ATOM 513 CB ASP B 65 -16.644 -1.861 -4.452 1.00 98.31 C
+ATOM 514 O ASP B 65 -17.928 -1.951 -1.423 1.00 98.31 O
+ATOM 515 CG ASP B 65 -16.512 -0.895 -5.616 1.00 98.31 C
+ATOM 516 OD1 ASP B 65 -16.508 0.334 -5.392 1.00 98.31 O
+ATOM 517 OD2 ASP B 65 -16.414 -1.368 -6.769 1.00 98.31 O
+ATOM 518 N THR B 66 -16.035 -3.042 -1.716 1.00 98.60 N
+ATOM 519 CA THR B 66 -16.358 -3.994 -0.659 1.00 98.60 C
+ATOM 520 C THR B 66 -16.478 -3.288 0.688 1.00 98.60 C
+ATOM 521 CB THR B 66 -15.298 -5.107 -0.566 1.00 98.60 C
+ATOM 522 O THR B 66 -17.425 -3.528 1.439 1.00 98.60 O
+ATOM 523 CG2 THR B 66 -15.616 -6.077 0.567 1.00 98.60 C
+ATOM 524 OG1 THR B 66 -15.263 -5.830 -1.803 1.00 98.60 O
+ATOM 525 N THR B 67 -15.533 -2.373 0.983 1.00 97.83 N
+ATOM 526 CA THR B 67 -15.560 -1.625 2.234 1.00 97.83 C
+ATOM 527 C THR B 67 -16.838 -0.797 2.342 1.00 97.83 C
+ATOM 528 CB THR B 67 -14.335 -0.701 2.360 1.00 97.83 C
+ATOM 529 O THR B 67 -17.486 -0.779 3.390 1.00 97.83 O
+ATOM 530 CG2 THR B 67 -14.378 0.096 3.660 1.00 97.83 C
+ATOM 531 OG1 THR B 67 -13.141 -1.494 2.339 1.00 97.83 O
+ATOM 532 N LEU B 68 -17.265 -0.144 1.298 1.00 97.24 N
+ATOM 533 CA LEU B 68 -18.465 0.685 1.290 1.00 97.24 C
+ATOM 534 C LEU B 68 -19.717 -0.168 1.462 1.00 97.24 C
+ATOM 535 CB LEU B 68 -18.554 1.487 -0.011 1.00 97.24 C
+ATOM 536 O LEU B 68 -20.644 0.219 2.178 1.00 97.24 O
+ATOM 537 CG LEU B 68 -17.528 2.607 -0.189 1.00 97.24 C
+ATOM 538 CD1 LEU B 68 -17.655 3.226 -1.577 1.00 97.24 C
+ATOM 539 CD2 LEU B 68 -17.700 3.667 0.893 1.00 97.24 C
+ATOM 540 N ALA B 69 -19.696 -1.347 0.813 1.00 98.28 N
+ATOM 541 CA ALA B 69 -20.843 -2.244 0.924 1.00 98.28 C
+ATOM 542 C ALA B 69 -21.021 -2.733 2.358 1.00 98.28 C
+ATOM 543 CB ALA B 69 -20.684 -3.431 -0.024 1.00 98.28 C
+ATOM 544 O ALA B 69 -22.139 -2.759 2.878 1.00 98.28 O
+ATOM 545 N ILE B 70 -20.002 -3.063 2.967 1.00 98.29 N
+ATOM 546 CA ILE B 70 -20.047 -3.571 4.334 1.00 98.29 C
+ATOM 547 C ILE B 70 -20.454 -2.450 5.288 1.00 98.29 C
+ATOM 548 CB ILE B 70 -18.688 -4.170 4.759 1.00 98.29 C
+ATOM 549 O ILE B 70 -21.285 -2.654 6.176 1.00 98.29 O
+ATOM 550 CG1 ILE B 70 -18.424 -5.481 4.010 1.00 98.29 C
+ATOM 551 CG2 ILE B 70 -18.644 -4.387 6.275 1.00 98.29 C
+ATOM 552 CD1 ILE B 70 -17.040 -6.067 4.256 1.00 98.29 C
+ATOM 553 N THR B 71 -19.823 -1.302 5.111 1.00 97.33 N
+ATOM 554 CA THR B 71 -20.157 -0.162 5.957 1.00 97.33 C
+ATOM 555 C THR B 71 -21.638 0.184 5.838 1.00 97.33 C
+ATOM 556 CB THR B 71 -19.308 1.071 5.592 1.00 97.33 C
+ATOM 557 O THR B 71 -22.301 0.450 6.843 1.00 97.33 O
+ATOM 558 CG2 THR B 71 -19.660 2.262 6.478 1.00 97.33 C
+ATOM 559 OG1 THR B 71 -17.921 0.756 5.763 1.00 97.33 O
+ATOM 560 N SER B 72 -22.186 0.166 4.681 1.00 96.65 N
+ATOM 561 CA SER B 72 -23.599 0.447 4.448 1.00 96.65 C
+ATOM 562 C SER B 72 -24.488 -0.596 5.118 1.00 96.65 C
+ATOM 563 CB SER B 72 -23.897 0.496 2.949 1.00 96.65 C
+ATOM 564 O SER B 72 -25.495 -0.254 5.741 1.00 96.65 O
+ATOM 565 OG SER B 72 -25.280 0.704 2.717 1.00 96.65 O
+ATOM 566 N ARG B 73 -24.110 -1.788 4.967 1.00 97.25 N
+ATOM 567 CA ARG B 73 -24.883 -2.853 5.599 1.00 97.25 C
+ATOM 568 C ARG B 73 -24.854 -2.723 7.118 1.00 97.25 C
+ATOM 569 CB ARG B 73 -24.352 -4.225 5.180 1.00 97.25 C
+ATOM 570 O ARG B 73 -25.879 -2.896 7.781 1.00 97.25 O
+ATOM 571 CG ARG B 73 -25.140 -5.392 5.753 1.00 97.25 C
+ATOM 572 CD ARG B 73 -24.679 -6.723 5.174 1.00 97.25 C
+ATOM 573 NE ARG B 73 -25.490 -7.833 5.664 1.00 97.25 N
+ATOM 574 NH1 ARG B 73 -24.007 -8.455 7.322 1.00 97.25 N
+ATOM 575 NH2 ARG B 73 -25.965 -9.612 7.036 1.00 97.25 N
+ATOM 576 CZ ARG B 73 -25.152 -8.631 6.673 1.00 97.25 C
+ATOM 577 N PHE B 74 -23.709 -2.429 7.643 1.00 96.81 N
+ATOM 578 CA PHE B 74 -23.574 -2.245 9.083 1.00 96.81 C
+ATOM 579 C PHE B 74 -24.478 -1.121 9.572 1.00 96.81 C
+ATOM 580 CB PHE B 74 -22.117 -1.947 9.453 1.00 96.81 C
+ATOM 581 O PHE B 74 -25.144 -1.256 10.601 1.00 96.81 O
+ATOM 582 CG PHE B 74 -21.883 -1.811 10.933 1.00 96.81 C
+ATOM 583 CD1 PHE B 74 -21.668 -0.563 11.505 1.00 96.81 C
+ATOM 584 CD2 PHE B 74 -21.878 -2.932 11.753 1.00 96.81 C
+ATOM 585 CE1 PHE B 74 -21.451 -0.434 12.875 1.00 96.81 C
+ATOM 586 CE2 PHE B 74 -21.662 -2.811 13.123 1.00 96.81 C
+ATOM 587 CZ PHE B 74 -21.447 -1.562 13.682 1.00 96.81 C
+ATOM 588 N ALA B 75 -24.547 -0.072 8.877 1.00 96.09 N
+ATOM 589 CA ALA B 75 -25.405 1.055 9.231 1.00 96.09 C
+ATOM 590 C ALA B 75 -26.876 0.650 9.220 1.00 96.09 C
+ATOM 591 CB ALA B 75 -25.170 2.223 8.276 1.00 96.09 C
+ATOM 592 O ALA B 75 -27.652 1.084 10.074 1.00 96.09 O
+ATOM 593 N GLN B 76 -27.307 -0.209 8.311 1.00 95.32 N
+ATOM 594 CA GLN B 76 -28.683 -0.685 8.209 1.00 95.32 C
+ATOM 595 C GLN B 76 -29.056 -1.550 9.409 1.00 95.32 C
+ATOM 596 CB GLN B 76 -28.885 -1.469 6.912 1.00 95.32 C
+ATOM 597 O GLN B 76 -30.159 -1.433 9.946 1.00 95.32 O
+ATOM 598 CG GLN B 76 -28.868 -0.603 5.660 1.00 95.32 C
+ATOM 599 CD GLN B 76 -28.869 -1.419 4.381 1.00 95.32 C
+ATOM 600 NE2 GLN B 76 -28.796 -0.738 3.243 1.00 95.32 N
+ATOM 601 OE1 GLN B 76 -28.933 -2.652 4.416 1.00 95.32 O
+ATOM 602 N ILE B 77 -28.156 -2.286 9.863 1.00 95.48 N
+ATOM 603 CA ILE B 77 -28.395 -3.190 10.982 1.00 95.48 C
+ATOM 604 C ILE B 77 -28.522 -2.388 12.275 1.00 95.48 C
+ATOM 605 CB ILE B 77 -27.270 -4.241 11.112 1.00 95.48 C
+ATOM 606 O ILE B 77 -29.372 -2.687 13.118 1.00 95.48 O
+ATOM 607 CG1 ILE B 77 -27.339 -5.243 9.954 1.00 95.48 C
+ATOM 608 CG2 ILE B 77 -27.353 -4.957 12.463 1.00 95.48 C
+ATOM 609 CD1 ILE B 77 -26.137 -6.173 9.868 1.00 95.48 C
+ATOM 610 N VAL B 78 -27.743 -1.462 12.412 1.00 94.86 N
+ATOM 611 CA VAL B 78 -27.761 -0.642 13.619 1.00 94.86 C
+ATOM 612 C VAL B 78 -29.038 0.194 13.657 1.00 94.86 C
+ATOM 613 CB VAL B 78 -26.521 0.276 13.699 1.00 94.86 C
+ATOM 614 O VAL B 78 -29.632 0.384 14.721 1.00 94.86 O
+ATOM 615 CG1 VAL B 78 -26.690 1.316 14.805 1.00 94.86 C
+ATOM 616 CG2 VAL B 78 -25.259 -0.553 13.930 1.00 94.86 C
+ATOM 617 N GLN B 79 -29.521 0.579 12.549 1.00 92.95 N
+ATOM 618 CA GLN B 79 -30.739 1.377 12.460 1.00 92.95 C
+ATOM 619 C GLN B 79 -31.977 0.523 12.720 1.00 92.95 C
+ATOM 620 CB GLN B 79 -30.843 2.047 11.089 1.00 92.95 C
+ATOM 621 O GLN B 79 -32.928 0.978 13.359 1.00 92.95 O
+ATOM 622 CG GLN B 79 -29.879 3.210 10.898 1.00 92.95 C
+ATOM 623 CD GLN B 79 -29.997 3.852 9.529 1.00 92.95 C
+ATOM 624 NE2 GLN B 79 -29.304 4.970 9.336 1.00 92.95 N
+ATOM 625 OE1 GLN B 79 -30.704 3.347 8.651 1.00 92.95 O
+ATOM 626 N LYS B 80 -31.870 -0.718 12.295 1.00 92.43 N
+ATOM 627 CA LYS B 80 -32.994 -1.629 12.493 1.00 92.43 C
+ATOM 628 C LYS B 80 -33.032 -2.152 13.926 1.00 92.43 C
+ATOM 629 CB LYS B 80 -32.916 -2.799 11.511 1.00 92.43 C
+ATOM 630 O LYS B 80 -34.105 -2.443 14.458 1.00 92.43 O
+ATOM 631 CG LYS B 80 -33.272 -2.429 10.078 1.00 92.43 C
+ATOM 632 CD LYS B 80 -33.295 -3.655 9.174 1.00 92.43 C
+ATOM 633 CE LYS B 80 -33.684 -3.291 7.747 1.00 92.43 C
+ATOM 634 NZ LYS B 80 -33.672 -4.483 6.848 1.00 92.43 N
+ATOM 635 N GLY B 81 -31.917 -2.452 14.482 1.00 81.84 N
+ATOM 636 CA GLY B 81 -31.835 -2.932 15.852 1.00 81.84 C
+ATOM 637 C GLY B 81 -32.159 -1.864 16.880 1.00 81.84 C
+ATOM 638 O GLY B 81 -32.549 -2.176 18.006 1.00 81.84 O
+ATOM 639 N GLY B 82 -32.065 -0.672 16.674 1.00 76.22 N
+ATOM 640 CA GLY B 82 -32.418 0.444 17.536 1.00 76.22 C
+ATOM 641 C GLY B 82 -33.880 0.838 17.435 1.00 76.22 C
+ATOM 642 O GLY B 82 -34.371 1.633 18.238 1.00 76.22 O
+ATOM 643 N GLN B 83 -34.662 0.199 16.583 1.00 60.35 N
+ATOM 644 CA GLN B 83 -36.117 0.302 16.553 1.00 60.35 C
+ATOM 645 C GLN B 83 -36.769 -0.906 17.219 1.00 60.35 C
+ATOM 646 CB GLN B 83 -36.616 0.440 15.114 1.00 60.35 C
+ATOM 647 O GLN B 83 -37.805 -0.777 17.874 1.00 60.35 O
+ATOM 648 CG GLN B 83 -36.419 1.831 14.526 1.00 60.35 C
+ATOM 649 CD GLN B 83 -36.958 1.952 13.112 1.00 60.35 C
+ATOM 650 NE2 GLN B 83 -36.346 2.824 12.318 1.00 60.35 N
+ATOM 651 OE1 GLN B 83 -37.915 1.267 12.738 1.00 60.35 O
+TER 652 GLN B 83
+ATOM 653 N MET C 1 50.040 32.393 35.390 1.00 28.57 N
+ATOM 654 CA MET C 1 49.521 31.790 36.614 1.00 28.57 C
+ATOM 655 C MET C 1 48.376 32.619 37.186 1.00 28.57 C
+ATOM 656 CB MET C 1 50.632 31.645 37.655 1.00 28.57 C
+ATOM 657 O MET C 1 47.433 32.071 37.759 1.00 28.57 O
+ATOM 658 CG MET C 1 50.733 30.251 38.253 1.00 28.57 C
+ATOM 659 SD MET C 1 52.198 30.058 39.341 1.00 28.57 S
+ATOM 660 CE MET C 1 51.684 28.617 40.317 1.00 28.57 C
+ATOM 661 N GLU C 2 48.540 33.870 37.053 1.00 35.42 N
+ATOM 662 CA GLU C 2 47.501 34.894 37.106 1.00 35.42 C
+ATOM 663 C GLU C 2 46.554 34.783 35.915 1.00 35.42 C
+ATOM 664 CB GLU C 2 48.124 36.291 37.154 1.00 35.42 C
+ATOM 665 O GLU C 2 45.932 35.769 35.515 1.00 35.42 O
+ATOM 666 CG GLU C 2 47.783 37.074 38.414 1.00 35.42 C
+ATOM 667 CD GLU C 2 48.552 38.380 38.535 1.00 35.42 C
+ATOM 668 OE1 GLU C 2 47.992 39.448 38.199 1.00 35.42 O
+ATOM 669 OE2 GLU C 2 49.725 38.335 38.969 1.00 35.42 O
+ATOM 670 N GLY C 3 46.387 33.521 35.322 1.00 37.54 N
+ATOM 671 CA GLY C 3 45.732 33.310 34.041 1.00 37.54 C
+ATOM 672 C GLY C 3 44.283 33.761 34.030 1.00 37.54 C
+ATOM 673 O GLY C 3 43.519 33.433 34.939 1.00 37.54 O
+ATOM 674 N GLY C 4 44.029 34.997 33.563 1.00 40.33 N
+ATOM 675 CA GLY C 4 42.765 35.682 33.349 1.00 40.33 C
+ATOM 676 C GLY C 4 41.770 34.863 32.548 1.00 40.33 C
+ATOM 677 O GLY C 4 41.979 34.613 31.359 1.00 40.33 O
+ATOM 678 N PHE C 5 41.158 33.722 33.132 1.00 44.33 N
+ATOM 679 CA PHE C 5 40.188 32.898 32.420 1.00 44.33 C
+ATOM 680 C PHE C 5 38.948 33.709 32.063 1.00 44.33 C
+ATOM 681 CB PHE C 5 39.794 31.681 33.262 1.00 44.33 C
+ATOM 682 O PHE C 5 38.163 34.073 32.941 1.00 44.33 O
+ATOM 683 CG PHE C 5 40.771 30.539 33.173 1.00 44.33 C
+ATOM 684 CD1 PHE C 5 40.695 29.622 32.132 1.00 44.33 C
+ATOM 685 CD2 PHE C 5 41.764 30.384 34.130 1.00 44.33 C
+ATOM 686 CE1 PHE C 5 41.598 28.564 32.047 1.00 44.33 C
+ATOM 687 CE2 PHE C 5 42.670 29.329 34.052 1.00 44.33 C
+ATOM 688 CZ PHE C 5 42.584 28.420 33.010 1.00 44.33 C
+ATOM 689 N GLY C 6 39.115 34.885 31.302 1.00 39.78 N
+ATOM 690 CA GLY C 6 37.972 35.638 30.811 1.00 39.78 C
+ATOM 691 C GLY C 6 36.925 34.766 30.144 1.00 39.78 C
+ATOM 692 O GLY C 6 37.233 34.022 29.210 1.00 39.78 O
+ATOM 693 N SER C 7 36.008 34.157 30.944 1.00 40.86 N
+ATOM 694 CA SER C 7 34.895 33.296 30.557 1.00 40.86 C
+ATOM 695 C SER C 7 33.972 33.998 29.566 1.00 40.86 C
+ATOM 696 CB SER C 7 34.099 32.863 31.788 1.00 40.86 C
+ATOM 697 O SER C 7 33.419 35.058 29.868 1.00 40.86 O
+ATOM 698 OG SER C 7 33.841 33.969 32.636 1.00 40.86 O
+ATOM 699 N ASP C 8 34.459 34.293 28.316 1.00 41.26 N
+ATOM 700 CA ASP C 8 33.621 34.839 27.254 1.00 41.26 C
+ATOM 701 C ASP C 8 32.408 33.948 26.998 1.00 41.26 C
+ATOM 702 CB ASP C 8 34.429 35.010 25.966 1.00 41.26 C
+ATOM 703 O ASP C 8 32.456 33.053 26.151 1.00 41.26 O
+ATOM 704 CG ASP C 8 34.901 36.437 25.746 1.00 41.26 C
+ATOM 705 OD1 ASP C 8 34.121 37.382 25.995 1.00 41.26 O
+ATOM 706 OD2 ASP C 8 36.062 36.618 25.319 1.00 41.26 O
+ATOM 707 N PHE C 9 31.814 33.359 28.090 1.00 41.45 N
+ATOM 708 CA PHE C 9 30.687 32.472 27.827 1.00 41.45 C
+ATOM 709 C PHE C 9 29.551 33.228 27.147 1.00 41.45 C
+ATOM 710 CB PHE C 9 30.188 31.833 29.127 1.00 41.45 C
+ATOM 711 O PHE C 9 28.449 32.697 26.994 1.00 41.45 O
+ATOM 712 CG PHE C 9 30.728 30.450 29.369 1.00 41.45 C
+ATOM 713 CD1 PHE C 9 30.101 29.338 28.820 1.00 41.45 C
+ATOM 714 CD2 PHE C 9 31.864 30.261 30.146 1.00 41.45 C
+ATOM 715 CE1 PHE C 9 30.598 28.056 29.043 1.00 41.45 C
+ATOM 716 CE2 PHE C 9 32.367 28.983 30.373 1.00 41.45 C
+ATOM 717 CZ PHE C 9 31.732 27.882 29.821 1.00 41.45 C
+ATOM 718 N GLY C 10 29.661 34.634 27.025 1.00 36.36 N
+ATOM 719 CA GLY C 10 28.377 35.295 26.852 1.00 36.36 C
+ATOM 720 C GLY C 10 27.659 34.880 25.582 1.00 36.36 C
+ATOM 721 O GLY C 10 26.644 35.475 25.214 1.00 36.36 O
+ATOM 722 N GLY C 11 28.351 34.408 24.528 1.00 39.73 N
+ATOM 723 CA GLY C 11 27.545 34.249 23.328 1.00 39.73 C
+ATOM 724 C GLY C 11 26.366 33.315 23.520 1.00 39.73 C
+ATOM 725 O GLY C 11 26.546 32.129 23.806 1.00 39.73 O
+ATOM 726 N SER C 12 25.401 33.576 24.408 1.00 40.23 N
+ATOM 727 CA SER C 12 24.090 32.936 24.457 1.00 40.23 C
+ATOM 728 C SER C 12 23.507 32.761 23.059 1.00 40.23 C
+ATOM 729 CB SER C 12 23.128 33.750 25.323 1.00 40.23 C
+ATOM 730 O SER C 12 23.195 33.745 22.384 1.00 40.23 O
+ATOM 731 OG SER C 12 23.152 35.118 24.951 1.00 40.23 O
+ATOM 732 N GLY C 13 24.093 32.117 22.122 1.00 39.14 N
+ATOM 733 CA GLY C 13 23.386 31.671 20.933 1.00 39.14 C
+ATOM 734 C GLY C 13 21.961 31.232 21.215 1.00 39.14 C
+ATOM 735 O GLY C 13 21.714 30.481 22.161 1.00 39.14 O
+ATOM 736 N SER C 14 20.927 32.074 21.222 1.00 42.15 N
+ATOM 737 CA SER C 14 19.519 31.719 21.075 1.00 42.15 C
+ATOM 738 C SER C 14 19.345 30.517 20.154 1.00 42.15 C
+ATOM 739 CB SER C 14 18.720 32.906 20.534 1.00 42.15 C
+ATOM 740 O SER C 14 19.736 30.561 18.986 1.00 42.15 O
+ATOM 741 OG SER C 14 17.343 32.587 20.445 1.00 42.15 O
+ATOM 742 N GLY C 15 19.570 29.442 20.510 1.00 44.56 N
+ATOM 743 CA GLY C 15 19.140 28.238 19.818 1.00 44.56 C
+ATOM 744 C GLY C 15 17.753 28.359 19.215 1.00 44.56 C
+ATOM 745 O GLY C 15 16.752 28.153 19.903 1.00 44.56 O
+ATOM 746 N LYS C 16 17.369 29.482 18.564 1.00 51.09 N
+ATOM 747 CA LYS C 16 16.088 29.469 17.863 1.00 51.09 C
+ATOM 748 C LYS C 16 15.926 28.196 17.038 1.00 51.09 C
+ATOM 749 CB LYS C 16 15.956 30.698 16.963 1.00 51.09 C
+ATOM 750 O LYS C 16 16.774 27.881 16.200 1.00 51.09 O
+ATOM 751 CG LYS C 16 15.163 31.838 17.584 1.00 51.09 C
+ATOM 752 CD LYS C 16 15.033 33.016 16.626 1.00 51.09 C
+ATOM 753 CE LYS C 16 13.606 33.544 16.578 1.00 51.09 C
+ATOM 754 NZ LYS C 16 13.543 35.000 16.904 1.00 51.09 N
+ATOM 755 N LEU C 17 15.546 27.116 17.604 1.00 57.77 N
+ATOM 756 CA LEU C 17 15.103 25.987 16.792 1.00 57.77 C
+ATOM 757 C LEU C 17 14.422 26.470 15.516 1.00 57.77 C
+ATOM 758 CB LEU C 17 14.147 25.096 17.589 1.00 57.77 C
+ATOM 759 O LEU C 17 13.444 27.219 15.574 1.00 57.77 O
+ATOM 760 CG LEU C 17 14.750 24.351 18.781 1.00 57.77 C
+ATOM 761 CD1 LEU C 17 13.652 23.667 19.589 1.00 57.77 C
+ATOM 762 CD2 LEU C 17 15.786 23.336 18.311 1.00 57.77 C
+ATOM 763 N ASP C 18 15.245 26.734 14.491 1.00 71.20 N
+ATOM 764 CA ASP C 18 14.716 27.078 13.175 1.00 71.20 C
+ATOM 765 C ASP C 18 13.625 26.098 12.749 1.00 71.20 C
+ATOM 766 CB ASP C 18 15.837 27.102 12.135 1.00 71.20 C
+ATOM 767 O ASP C 18 13.903 24.925 12.492 1.00 71.20 O
+ATOM 768 CG ASP C 18 15.461 27.860 10.874 1.00 71.20 C
+ATOM 769 OD1 ASP C 18 14.253 28.028 10.601 1.00 71.20 O
+ATOM 770 OD2 ASP C 18 16.381 28.291 10.146 1.00 71.20 O
+ATOM 771 N PRO C 19 12.374 26.513 12.971 1.00 72.53 N
+ATOM 772 CA PRO C 19 11.250 25.667 12.562 1.00 72.53 C
+ATOM 773 C PRO C 19 11.486 24.982 11.217 1.00 72.53 C
+ATOM 774 CB PRO C 19 10.081 26.651 12.476 1.00 72.53 C
+ATOM 775 O PRO C 19 11.061 23.842 11.018 1.00 72.53 O
+ATOM 776 CG PRO C 19 10.504 27.821 13.305 1.00 72.53 C
+ATOM 777 CD PRO C 19 12.005 27.856 13.349 1.00 72.53 C
+ATOM 778 N GLY C 20 12.177 25.666 10.327 1.00 73.42 N
+ATOM 779 CA GLY C 20 12.487 25.091 9.028 1.00 73.42 C
+ATOM 780 C GLY C 20 13.450 23.922 9.107 1.00 73.42 C
+ATOM 781 O GLY C 20 13.263 22.910 8.428 1.00 73.42 O
+ATOM 782 N LEU C 21 14.481 24.103 9.955 1.00 80.45 N
+ATOM 783 CA LEU C 21 15.462 23.039 10.134 1.00 80.45 C
+ATOM 784 C LEU C 21 14.846 21.847 10.859 1.00 80.45 C
+ATOM 785 CB LEU C 21 16.675 23.554 10.914 1.00 80.45 C
+ATOM 786 O LEU C 21 15.123 20.696 10.517 1.00 80.45 O
+ATOM 787 CG LEU C 21 18.017 22.893 10.594 1.00 80.45 C
+ATOM 788 CD1 LEU C 21 18.915 23.859 9.829 1.00 80.45 C
+ATOM 789 CD2 LEU C 21 18.699 22.421 11.874 1.00 80.45 C
+ATOM 790 N ILE C 22 14.085 22.148 11.819 1.00 78.02 N
+ATOM 791 CA ILE C 22 13.408 21.096 12.570 1.00 78.02 C
+ATOM 792 C ILE C 22 12.483 20.312 11.643 1.00 78.02 C
+ATOM 793 CB ILE C 22 12.609 21.676 13.759 1.00 78.02 C
+ATOM 794 O ILE C 22 12.476 19.079 11.661 1.00 78.02 O
+ATOM 795 CG1 ILE C 22 13.560 22.295 14.791 1.00 78.02 C
+ATOM 796 CG2 ILE C 22 11.734 20.595 14.400 1.00 78.02 C
+ATOM 797 CD1 ILE C 22 12.854 23.047 15.910 1.00 78.02 C
+ATOM 798 N MET C 23 11.716 21.023 10.846 1.00 80.76 N
+ATOM 799 CA MET C 23 10.804 20.378 9.906 1.00 80.76 C
+ATOM 800 C MET C 23 11.570 19.511 8.912 1.00 80.76 C
+ATOM 801 CB MET C 23 9.975 21.423 9.157 1.00 80.76 C
+ATOM 802 O MET C 23 11.136 18.407 8.581 1.00 80.76 O
+ATOM 803 CG MET C 23 8.929 20.827 8.229 1.00 80.76 C
+ATOM 804 SD MET C 23 7.712 19.782 9.121 1.00 80.76 S
+ATOM 805 CE MET C 23 6.634 21.068 9.813 1.00 80.76 C
+ATOM 806 N GLU C 24 12.674 20.009 8.463 1.00 84.62 N
+ATOM 807 CA GLU C 24 13.499 19.243 7.534 1.00 84.62 C
+ATOM 808 C GLU C 24 13.990 17.947 8.172 1.00 84.62 C
+ATOM 809 CB GLU C 24 14.690 20.079 7.057 1.00 84.62 C
+ATOM 810 O GLU C 24 13.995 16.895 7.529 1.00 84.62 O
+ATOM 811 CG GLU C 24 15.523 19.403 5.978 1.00 84.62 C
+ATOM 812 CD GLU C 24 14.770 19.212 4.671 1.00 84.62 C
+ATOM 813 OE1 GLU C 24 15.301 18.539 3.758 1.00 84.62 O
+ATOM 814 OE2 GLU C 24 13.641 19.740 4.559 1.00 84.62 O
+ATOM 815 N GLN C 25 14.369 18.024 9.378 1.00 86.92 N
+ATOM 816 CA GLN C 25 14.822 16.840 10.099 1.00 86.92 C
+ATOM 817 C GLN C 25 13.684 15.839 10.282 1.00 86.92 C
+ATOM 818 CB GLN C 25 15.402 17.228 11.460 1.00 86.92 C
+ATOM 819 O GLN C 25 13.888 14.630 10.151 1.00 86.92 O
+ATOM 820 CG GLN C 25 16.781 17.871 11.380 1.00 86.92 C
+ATOM 821 CD GLN C 25 17.325 18.264 12.740 1.00 86.92 C
+ATOM 822 NE2 GLN C 25 18.622 18.059 12.942 1.00 86.92 N
+ATOM 823 OE1 GLN C 25 16.586 18.750 13.602 1.00 86.92 O
+ATOM 824 N VAL C 26 12.559 16.349 10.532 1.00 84.86 N
+ATOM 825 CA VAL C 26 11.388 15.497 10.706 1.00 84.86 C
+ATOM 826 C VAL C 26 11.049 14.806 9.387 1.00 84.86 C
+ATOM 827 CB VAL C 26 10.170 16.302 11.214 1.00 84.86 C
+ATOM 828 O VAL C 26 10.766 13.606 9.362 1.00 84.86 O
+ATOM 829 CG1 VAL C 26 8.905 15.446 11.182 1.00 84.86 C
+ATOM 830 CG2 VAL C 26 10.429 16.826 12.626 1.00 84.86 C
+ATOM 831 N LYS C 27 11.145 15.529 8.316 1.00 85.84 N
+ATOM 832 CA LYS C 27 10.865 14.977 6.994 1.00 85.84 C
+ATOM 833 C LYS C 27 11.833 13.848 6.653 1.00 85.84 C
+ATOM 834 CB LYS C 27 10.940 16.072 5.928 1.00 85.84 C
+ATOM 835 O LYS C 27 11.427 12.818 6.110 1.00 85.84 O
+ATOM 836 CG LYS C 27 9.737 17.002 5.910 1.00 85.84 C
+ATOM 837 CD LYS C 27 9.827 18.011 4.773 1.00 85.84 C
+ATOM 838 CE LYS C 27 8.589 18.896 4.709 1.00 85.84 C
+ATOM 839 NZ LYS C 27 8.693 19.916 3.623 1.00 85.84 N
+ATOM 840 N VAL C 28 13.111 14.078 6.993 1.00 90.49 N
+ATOM 841 CA VAL C 28 14.119 13.063 6.706 1.00 90.49 C
+ATOM 842 C VAL C 28 13.843 11.811 7.536 1.00 90.49 C
+ATOM 843 CB VAL C 28 15.546 13.585 6.988 1.00 90.49 C
+ATOM 844 O VAL C 28 13.925 10.691 7.026 1.00 90.49 O
+ATOM 845 CG1 VAL C 28 16.560 12.444 6.928 1.00 90.49 C
+ATOM 846 CG2 VAL C 28 15.917 14.686 5.996 1.00 90.49 C
+ATOM 847 N GLN C 29 13.485 12.012 8.747 1.00 91.26 N
+ATOM 848 CA GLN C 29 13.200 10.876 9.618 1.00 91.26 C
+ATOM 849 C GLN C 29 11.970 10.110 9.137 1.00 91.26 C
+ATOM 850 CB GLN C 29 12.998 11.342 11.060 1.00 91.26 C
+ATOM 851 O GLN C 29 11.929 8.880 9.215 1.00 91.26 O
+ATOM 852 CG GLN C 29 14.281 11.787 11.748 1.00 91.26 C
+ATOM 853 CD GLN C 29 15.276 10.655 11.925 1.00 91.26 C
+ATOM 854 NE2 GLN C 29 16.562 10.986 11.898 1.00 91.26 N
+ATOM 855 OE1 GLN C 29 14.891 9.492 12.086 1.00 91.26 O
+ATOM 856 N ILE C 30 11.000 10.830 8.612 1.00 89.28 N
+ATOM 857 CA ILE C 30 9.798 10.201 8.074 1.00 89.28 C
+ATOM 858 C ILE C 30 10.149 9.403 6.821 1.00 89.28 C
+ATOM 859 CB ILE C 30 8.707 11.248 7.755 1.00 89.28 C
+ATOM 860 O ILE C 30 9.700 8.266 6.655 1.00 89.28 O
+ATOM 861 CG1 ILE C 30 8.156 11.857 9.049 1.00 89.28 C
+ATOM 862 CG2 ILE C 30 7.584 10.621 6.923 1.00 89.28 C
+ATOM 863 CD1 ILE C 30 7.212 13.031 8.828 1.00 89.28 C
+ATOM 864 N ALA C 31 10.996 9.974 6.005 1.00 90.49 N
+ATOM 865 CA ALA C 31 11.416 9.303 4.778 1.00 90.49 C
+ATOM 866 C ALA C 31 12.174 8.015 5.089 1.00 90.49 C
+ATOM 867 CB ALA C 31 12.281 10.233 3.931 1.00 90.49 C
+ATOM 868 O ALA C 31 11.965 6.991 4.435 1.00 90.49 O
+ATOM 869 N VAL C 32 13.053 8.132 6.067 1.00 93.81 N
+ATOM 870 CA VAL C 32 13.836 6.956 6.431 1.00 93.81 C
+ATOM 871 C VAL C 32 12.913 5.870 6.979 1.00 93.81 C
+ATOM 872 CB VAL C 32 14.929 7.300 7.468 1.00 93.81 C
+ATOM 873 O VAL C 32 13.040 4.698 6.617 1.00 93.81 O
+ATOM 874 CG1 VAL C 32 15.546 6.027 8.045 1.00 93.81 C
+ATOM 875 CG2 VAL C 32 16.005 8.181 6.836 1.00 93.81 C
+ATOM 876 N ALA C 33 12.033 6.178 7.799 1.00 92.72 N
+ATOM 877 CA ALA C 33 11.080 5.224 8.361 1.00 92.72 C
+ATOM 878 C ALA C 33 10.213 4.607 7.267 1.00 92.72 C
+ATOM 879 CB ALA C 33 10.204 5.903 9.411 1.00 92.72 C
+ATOM 880 O ALA C 33 9.937 3.405 7.289 1.00 92.72 O
+ATOM 881 N ASN C 34 9.758 5.404 6.350 1.00 91.96 N
+ATOM 882 CA ASN C 34 8.950 4.920 5.236 1.00 91.96 C
+ATOM 883 C ASN C 34 9.726 3.935 4.367 1.00 91.96 C
+ATOM 884 CB ASN C 34 8.445 6.091 4.391 1.00 91.96 C
+ATOM 885 O ASN C 34 9.186 2.907 3.954 1.00 91.96 O
+ATOM 886 CG ASN C 34 7.293 6.829 5.043 1.00 91.96 C
+ATOM 887 ND2 ASN C 34 7.060 8.064 4.614 1.00 91.96 N
+ATOM 888 OD1 ASN C 34 6.617 6.294 5.926 1.00 91.96 O
+ATOM 889 N ALA C 35 10.989 4.299 4.154 1.00 93.58 N
+ATOM 890 CA ALA C 35 11.838 3.418 3.355 1.00 93.58 C
+ATOM 891 C ALA C 35 12.041 2.075 4.050 1.00 93.58 C
+ATOM 892 CB ALA C 35 13.185 4.082 3.083 1.00 93.58 C
+ATOM 893 O ALA C 35 12.026 1.025 3.402 1.00 93.58 O
+ATOM 894 N GLN C 36 12.274 2.113 5.321 1.00 96.35 N
+ATOM 895 CA GLN C 36 12.469 0.885 6.083 1.00 96.35 C
+ATOM 896 C GLN C 36 11.237 -0.012 6.007 1.00 96.35 C
+ATOM 897 CB GLN C 36 12.796 1.205 7.543 1.00 96.35 C
+ATOM 898 O GLN C 36 11.356 -1.227 5.831 1.00 96.35 O
+ATOM 899 CG GLN C 36 14.197 1.763 7.751 1.00 96.35 C
+ATOM 900 CD GLN C 36 14.464 2.157 9.191 1.00 96.35 C
+ATOM 901 NE2 GLN C 36 15.738 2.307 9.539 1.00 96.35 N
+ATOM 902 OE1 GLN C 36 13.533 2.326 9.985 1.00 96.35 O
+ATOM 903 N GLU C 37 10.096 0.611 6.123 1.00 95.41 N
+ATOM 904 CA GLU C 37 8.849 -0.142 6.038 1.00 95.41 C
+ATOM 905 C GLU C 37 8.665 -0.749 4.650 1.00 95.41 C
+ATOM 906 CB GLU C 37 7.656 0.753 6.382 1.00 95.41 C
+ATOM 907 O GLU C 37 8.286 -1.915 4.522 1.00 95.41 O
+ATOM 908 CG GLU C 37 6.319 0.026 6.377 1.00 95.41 C
+ATOM 909 CD GLU C 37 5.165 0.886 6.865 1.00 95.41 C
+ATOM 910 OE1 GLU C 37 4.036 0.365 7.005 1.00 95.41 O
+ATOM 911 OE2 GLU C 37 5.392 2.093 7.109 1.00 95.41 O
+ATOM 912 N LEU C 38 8.955 -0.006 3.696 1.00 95.78 N
+ATOM 913 CA LEU C 38 8.850 -0.488 2.323 1.00 95.78 C
+ATOM 914 C LEU C 38 9.783 -1.672 2.089 1.00 95.78 C
+ATOM 915 CB LEU C 38 9.173 0.635 1.334 1.00 95.78 C
+ATOM 916 O LEU C 38 9.371 -2.692 1.534 1.00 95.78 O
+ATOM 917 CG LEU C 38 9.132 0.265 -0.149 1.00 95.78 C
+ATOM 918 CD1 LEU C 38 7.721 -0.150 -0.553 1.00 95.78 C
+ATOM 919 CD2 LEU C 38 9.617 1.430 -1.005 1.00 95.78 C
+ATOM 920 N LEU C 39 10.981 -1.530 2.562 1.00 97.33 N
+ATOM 921 CA LEU C 39 11.963 -2.594 2.387 1.00 97.33 C
+ATOM 922 C LEU C 39 11.521 -3.866 3.103 1.00 97.33 C
+ATOM 923 CB LEU C 39 13.333 -2.151 2.907 1.00 97.33 C
+ATOM 924 O LEU C 39 11.681 -4.969 2.575 1.00 97.33 O
+ATOM 925 CG LEU C 39 14.116 -1.184 2.018 1.00 97.33 C
+ATOM 926 CD1 LEU C 39 15.373 -0.704 2.735 1.00 97.33 C
+ATOM 927 CD2 LEU C 39 14.471 -1.846 0.691 1.00 97.33 C
+ATOM 928 N GLN C 40 11.038 -3.734 4.226 1.00 97.68 N
+ATOM 929 CA GLN C 40 10.576 -4.882 4.999 1.00 97.68 C
+ATOM 930 C GLN C 40 9.427 -5.595 4.291 1.00 97.68 C
+ATOM 931 CB GLN C 40 10.141 -4.448 6.399 1.00 97.68 C
+ATOM 932 O GLN C 40 9.422 -6.824 4.187 1.00 97.68 O
+ATOM 933 CG GLN C 40 9.780 -5.608 7.318 1.00 97.68 C
+ATOM 934 CD GLN C 40 9.503 -5.164 8.742 1.00 97.68 C
+ATOM 935 NE2 GLN C 40 8.975 -6.073 9.555 1.00 97.68 N
+ATOM 936 OE1 GLN C 40 9.761 -4.013 9.109 1.00 97.68 O
+ATOM 937 N ARG C 41 8.515 -4.831 3.805 1.00 97.38 N
+ATOM 938 CA ARG C 41 7.371 -5.412 3.110 1.00 97.38 C
+ATOM 939 C ARG C 41 7.804 -6.091 1.815 1.00 97.38 C
+ATOM 940 CB ARG C 41 6.320 -4.340 2.814 1.00 97.38 C
+ATOM 941 O ARG C 41 7.356 -7.198 1.508 1.00 97.38 O
+ATOM 942 CG ARG C 41 5.643 -3.781 4.055 1.00 97.38 C
+ATOM 943 CD ARG C 41 4.383 -3.001 3.708 1.00 97.38 C
+ATOM 944 NE ARG C 41 3.671 -2.565 4.906 1.00 97.38 N
+ATOM 945 NH1 ARG C 41 1.697 -3.641 4.375 1.00 97.38 N
+ATOM 946 NH2 ARG C 41 1.861 -2.429 6.313 1.00 97.38 N
+ATOM 947 CZ ARG C 41 2.411 -2.879 5.195 1.00 97.38 C
+ATOM 948 N MET C 42 8.662 -5.454 1.114 1.00 97.42 N
+ATOM 949 CA MET C 42 9.176 -6.029 -0.125 1.00 97.42 C
+ATOM 950 C MET C 42 9.938 -7.321 0.149 1.00 97.42 C
+ATOM 951 CB MET C 42 10.082 -5.031 -0.847 1.00 97.42 C
+ATOM 952 O MET C 42 9.798 -8.299 -0.588 1.00 97.42 O
+ATOM 953 CG MET C 42 10.498 -5.476 -2.240 1.00 97.42 C
+ATOM 954 SD MET C 42 11.343 -4.146 -3.180 1.00 97.42 S
+ATOM 955 CE MET C 42 12.698 -3.758 -2.038 1.00 97.42 C
+ATOM 956 N THR C 43 10.667 -7.258 1.216 1.00 97.96 N
+ATOM 957 CA THR C 43 11.435 -8.437 1.600 1.00 97.96 C
+ATOM 958 C THR C 43 10.509 -9.616 1.886 1.00 97.96 C
+ATOM 959 CB THR C 43 12.308 -8.156 2.837 1.00 97.96 C
+ATOM 960 O THR C 43 10.755 -10.731 1.422 1.00 97.96 O
+ATOM 961 CG2 THR C 43 13.036 -9.416 3.294 1.00 97.96 C
+ATOM 962 OG1 THR C 43 13.276 -7.150 2.512 1.00 97.96 O
+ATOM 963 N ASP C 44 9.465 -9.382 2.615 1.00 97.57 N
+ATOM 964 CA ASP C 44 8.508 -10.430 2.956 1.00 97.57 C
+ATOM 965 C ASP C 44 7.891 -11.042 1.701 1.00 97.57 C
+ATOM 966 CB ASP C 44 7.409 -9.878 3.867 1.00 97.57 C
+ATOM 967 O ASP C 44 7.831 -12.266 1.565 1.00 97.57 O
+ATOM 968 CG ASP C 44 7.873 -9.671 5.298 1.00 97.57 C
+ATOM 969 OD1 ASP C 44 8.916 -10.238 5.689 1.00 97.57 O
+ATOM 970 OD2 ASP C 44 7.187 -8.938 6.042 1.00 97.57 O
+ATOM 971 N LYS C 45 7.581 -10.262 0.801 1.00 97.67 N
+ATOM 972 CA LYS C 45 6.913 -10.720 -0.414 1.00 97.67 C
+ATOM 973 C LYS C 45 7.882 -11.468 -1.325 1.00 97.67 C
+ATOM 974 CB LYS C 45 6.295 -9.539 -1.164 1.00 97.67 C
+ATOM 975 O LYS C 45 7.555 -12.538 -1.843 1.00 97.67 O
+ATOM 976 CG LYS C 45 5.219 -8.802 -0.380 1.00 97.67 C
+ATOM 977 CD LYS C 45 4.017 -9.696 -0.104 1.00 97.67 C
+ATOM 978 CE LYS C 45 2.939 -8.958 0.678 1.00 97.67 C
+ATOM 979 NZ LYS C 45 1.870 -9.885 1.156 1.00 97.67 N
+ATOM 980 N CYS C 46 9.013 -10.918 -1.420 1.00 98.15 N
+ATOM 981 CA CYS C 46 9.990 -11.544 -2.304 1.00 98.15 C
+ATOM 982 C CYS C 46 10.506 -12.849 -1.711 1.00 98.15 C
+ATOM 983 CB CYS C 46 11.159 -10.596 -2.569 1.00 98.15 C
+ATOM 984 O CYS C 46 10.783 -13.802 -2.441 1.00 98.15 O
+ATOM 985 SG CYS C 46 10.721 -9.166 -3.582 1.00 98.15 S
+ATOM 986 N PHE C 47 10.587 -12.866 -0.413 1.00 97.41 N
+ATOM 987 CA PHE C 47 11.002 -14.099 0.246 1.00 97.41 C
+ATOM 988 C PHE C 47 10.020 -15.227 -0.047 1.00 97.41 C
+ATOM 989 CB PHE C 47 11.124 -13.888 1.758 1.00 97.41 C
+ATOM 990 O PHE C 47 10.428 -16.345 -0.369 1.00 97.41 O
+ATOM 991 CG PHE C 47 11.621 -15.097 2.502 1.00 97.41 C
+ATOM 992 CD1 PHE C 47 10.732 -15.948 3.148 1.00 97.41 C
+ATOM 993 CD2 PHE C 47 12.979 -15.384 2.557 1.00 97.41 C
+ATOM 994 CE1 PHE C 47 11.190 -17.068 3.837 1.00 97.41 C
+ATOM 995 CE2 PHE C 47 13.444 -16.501 3.244 1.00 97.41 C
+ATOM 996 CZ PHE C 47 12.548 -17.342 3.884 1.00 97.41 C
+ATOM 997 N ARG C 48 8.776 -14.933 -0.075 1.00 95.86 N
+ATOM 998 CA ARG C 48 7.731 -15.931 -0.283 1.00 95.86 C
+ATOM 999 C ARG C 48 7.700 -16.396 -1.734 1.00 95.86 C
+ATOM 1000 CB ARG C 48 6.365 -15.370 0.118 1.00 95.86 C
+ATOM 1001 O ARG C 48 7.471 -17.576 -2.009 1.00 95.86 O
+ATOM 1002 CG ARG C 48 6.178 -15.216 1.619 1.00 95.86 C
+ATOM 1003 CD ARG C 48 4.791 -14.692 1.963 1.00 95.86 C
+ATOM 1004 NE ARG C 48 4.675 -14.366 3.382 1.00 95.86 N
+ATOM 1005 NH1 ARG C 48 2.900 -15.791 3.776 1.00 95.86 N
+ATOM 1006 NH2 ARG C 48 3.763 -14.528 5.483 1.00 95.86 N
+ATOM 1007 CZ ARG C 48 3.780 -14.896 4.211 1.00 95.86 C
+ATOM 1008 N LYS C 49 8.030 -15.511 -2.571 1.00 96.46 N
+ATOM 1009 CA LYS C 49 7.899 -15.826 -3.990 1.00 96.46 C
+ATOM 1010 C LYS C 49 9.168 -16.481 -4.528 1.00 96.46 C
+ATOM 1011 CB LYS C 49 7.579 -14.564 -4.794 1.00 96.46 C
+ATOM 1012 O LYS C 49 9.109 -17.297 -5.449 1.00 96.46 O
+ATOM 1013 CG LYS C 49 6.163 -14.046 -4.595 1.00 96.46 C
+ATOM 1014 CD LYS C 49 5.789 -13.019 -5.656 1.00 96.46 C
+ATOM 1015 CE LYS C 49 4.371 -12.502 -5.460 1.00 96.46 C
+ATOM 1016 NZ LYS C 49 3.354 -13.462 -5.983 1.00 96.46 N
+ATOM 1017 N CYS C 50 10.324 -16.178 -3.931 1.00 97.14 N
+ATOM 1018 CA CYS C 50 11.565 -16.534 -4.610 1.00 97.14 C
+ATOM 1019 C CYS C 50 12.326 -17.602 -3.832 1.00 97.14 C
+ATOM 1020 CB CYS C 50 12.447 -15.301 -4.797 1.00 97.14 C
+ATOM 1021 O CYS C 50 13.181 -18.291 -4.390 1.00 97.14 O
+ATOM 1022 SG CYS C 50 11.731 -14.052 -5.888 1.00 97.14 S
+ATOM 1023 N ILE C 51 11.993 -17.656 -2.527 1.00 97.22 N
+ATOM 1024 CA ILE C 51 12.734 -18.618 -1.718 1.00 97.22 C
+ATOM 1025 C ILE C 51 11.825 -19.787 -1.345 1.00 97.22 C
+ATOM 1026 CB ILE C 51 13.311 -17.961 -0.444 1.00 97.22 C
+ATOM 1027 O ILE C 51 10.973 -19.663 -0.462 1.00 97.22 O
+ATOM 1028 CG1 ILE C 51 14.057 -16.670 -0.801 1.00 97.22 C
+ATOM 1029 CG2 ILE C 51 14.227 -18.936 0.300 1.00 97.22 C
+ATOM 1030 CD1 ILE C 51 15.223 -16.874 -1.759 1.00 97.22 C
+ATOM 1031 N GLY C 52 11.931 -20.934 -2.057 1.00 91.98 N
+ATOM 1032 CA GLY C 52 11.146 -22.121 -1.755 1.00 91.98 C
+ATOM 1033 C GLY C 52 11.600 -22.833 -0.495 1.00 91.98 C
+ATOM 1034 O GLY C 52 10.795 -23.093 0.401 1.00 91.98 O
+ATOM 1035 N LYS C 53 12.783 -23.187 -0.479 1.00 92.74 N
+ATOM 1036 CA LYS C 53 13.430 -23.791 0.682 1.00 92.74 C
+ATOM 1037 C LYS C 53 14.735 -23.074 1.019 1.00 92.74 C
+ATOM 1038 CB LYS C 53 13.697 -25.276 0.436 1.00 92.74 C
+ATOM 1039 O LYS C 53 15.576 -22.860 0.143 1.00 92.74 O
+ATOM 1040 CG LYS C 53 14.101 -26.048 1.683 1.00 92.74 C
+ATOM 1041 CD LYS C 53 14.293 -27.530 1.386 1.00 92.74 C
+ATOM 1042 CE LYS C 53 14.777 -28.289 2.615 1.00 92.74 C
+ATOM 1043 NZ LYS C 53 14.960 -29.744 2.330 1.00 92.74 N
+ATOM 1044 N PRO C 54 14.868 -22.730 2.307 1.00 89.43 N
+ATOM 1045 CA PRO C 54 16.102 -22.026 2.663 1.00 89.43 C
+ATOM 1046 C PRO C 54 17.337 -22.920 2.579 1.00 89.43 C
+ATOM 1047 CB PRO C 54 15.849 -21.577 4.104 1.00 89.43 C
+ATOM 1048 O PRO C 54 17.324 -24.045 3.085 1.00 89.43 O
+ATOM 1049 CG PRO C 54 14.722 -22.436 4.579 1.00 89.43 C
+ATOM 1050 CD PRO C 54 14.004 -22.987 3.381 1.00 89.43 C
+ATOM 1051 N GLY C 55 18.221 -22.674 1.659 1.00 91.02 N
+ATOM 1052 CA GLY C 55 19.477 -23.392 1.513 1.00 91.02 C
+ATOM 1053 C GLY C 55 20.653 -22.672 2.145 1.00 91.02 C
+ATOM 1054 O GLY C 55 20.473 -21.848 3.044 1.00 91.02 O
+ATOM 1055 N GLY C 56 21.818 -23.104 1.732 1.00 91.79 N
+ATOM 1056 CA GLY C 56 23.024 -22.566 2.340 1.00 91.79 C
+ATOM 1057 C GLY C 56 23.420 -21.212 1.784 1.00 91.79 C
+ATOM 1058 O GLY C 56 24.196 -20.482 2.405 1.00 91.79 O
+ATOM 1059 N SER C 57 22.913 -20.905 0.635 1.00 95.36 N
+ATOM 1060 CA SER C 57 23.218 -19.638 -0.021 1.00 95.36 C
+ATOM 1061 C SER C 57 22.146 -19.273 -1.043 1.00 95.36 C
+ATOM 1062 CB SER C 57 24.584 -19.704 -0.705 1.00 95.36 C
+ATOM 1063 O SER C 57 21.298 -20.100 -1.383 1.00 95.36 O
+ATOM 1064 OG SER C 57 24.588 -20.685 -1.728 1.00 95.36 O
+ATOM 1065 N LEU C 58 22.147 -17.993 -1.331 1.00 96.20 N
+ATOM 1066 CA LEU C 58 21.288 -17.529 -2.415 1.00 96.20 C
+ATOM 1067 C LEU C 58 21.859 -17.930 -3.771 1.00 96.20 C
+ATOM 1068 CB LEU C 58 21.117 -16.009 -2.350 1.00 96.20 C
+ATOM 1069 O LEU C 58 22.806 -17.308 -4.259 1.00 96.20 O
+ATOM 1070 CG LEU C 58 19.771 -15.500 -1.832 1.00 96.20 C
+ATOM 1071 CD1 LEU C 58 19.978 -14.571 -0.640 1.00 96.20 C
+ATOM 1072 CD2 LEU C 58 19.005 -14.790 -2.943 1.00 96.20 C
+ATOM 1073 N ASP C 59 21.197 -18.961 -4.415 1.00 95.29 N
+ATOM 1074 CA ASP C 59 21.728 -19.383 -5.708 1.00 95.29 C
+ATOM 1075 C ASP C 59 21.380 -18.375 -6.800 1.00 95.29 C
+ATOM 1076 CB ASP C 59 21.194 -20.768 -6.081 1.00 95.29 C
+ATOM 1077 O ASP C 59 20.739 -17.356 -6.531 1.00 95.29 O
+ATOM 1078 CG ASP C 59 19.693 -20.782 -6.313 1.00 95.29 C
+ATOM 1079 OD1 ASP C 59 19.122 -19.731 -6.673 1.00 95.29 O
+ATOM 1080 OD2 ASP C 59 19.076 -21.854 -6.131 1.00 95.29 O
+ATOM 1081 N ASN C 60 21.880 -18.583 -8.050 1.00 96.52 N
+ATOM 1082 CA ASN C 60 21.725 -17.650 -9.161 1.00 96.52 C
+ATOM 1083 C ASN C 60 20.256 -17.447 -9.522 1.00 96.52 C
+ATOM 1084 CB ASN C 60 22.510 -18.134 -10.382 1.00 96.52 C
+ATOM 1085 O ASN C 60 19.822 -16.320 -9.765 1.00 96.52 O
+ATOM 1086 CG ASN C 60 22.554 -17.104 -11.493 1.00 96.52 C
+ATOM 1087 ND2 ASN C 60 21.935 -17.424 -12.624 1.00 96.52 N
+ATOM 1088 OD1 ASN C 60 23.140 -16.029 -11.338 1.00 96.52 O
+ATOM 1089 N SER C 61 19.509 -18.592 -9.480 1.00 95.40 N
+ATOM 1090 CA SER C 61 18.092 -18.521 -9.820 1.00 95.40 C
+ATOM 1091 C SER C 61 17.322 -17.682 -8.805 1.00 95.40 C
+ATOM 1092 CB SER C 61 17.488 -19.924 -9.897 1.00 95.40 C
+ATOM 1093 O SER C 61 16.474 -16.869 -9.179 1.00 95.40 O
+ATOM 1094 OG SER C 61 16.102 -19.860 -10.187 1.00 95.40 O
+ATOM 1095 N GLU C 62 17.656 -17.805 -7.515 1.00 96.50 N
+ATOM 1096 CA GLU C 62 17.001 -17.040 -6.458 1.00 96.50 C
+ATOM 1097 C GLU C 62 17.381 -15.564 -6.529 1.00 96.50 C
+ATOM 1098 CB GLU C 62 17.358 -17.610 -5.082 1.00 96.50 C
+ATOM 1099 O GLU C 62 16.536 -14.690 -6.324 1.00 96.50 O
+ATOM 1100 CG GLU C 62 16.725 -18.963 -4.794 1.00 96.50 C
+ATOM 1101 CD GLU C 62 17.217 -19.593 -3.501 1.00 96.50 C
+ATOM 1102 OE1 GLU C 62 16.428 -20.293 -2.827 1.00 96.50 O
+ATOM 1103 OE2 GLU C 62 18.402 -19.384 -3.158 1.00 96.50 O
+ATOM 1104 N GLN C 63 18.599 -15.274 -6.840 1.00 97.02 N
+ATOM 1105 CA GLN C 63 19.055 -13.894 -6.967 1.00 97.02 C
+ATOM 1106 C GLN C 63 18.332 -13.178 -8.104 1.00 97.02 C
+ATOM 1107 CB GLN C 63 20.567 -13.846 -7.193 1.00 97.02 C
+ATOM 1108 O GLN C 63 17.917 -12.026 -7.955 1.00 97.02 O
+ATOM 1109 CG GLN C 63 21.385 -14.208 -5.961 1.00 97.02 C
+ATOM 1110 CD GLN C 63 22.881 -14.129 -6.206 1.00 97.02 C
+ATOM 1111 NE2 GLN C 63 23.666 -14.531 -5.212 1.00 97.02 N
+ATOM 1112 OE1 GLN C 63 23.326 -13.711 -7.279 1.00 97.02 O
+ATOM 1113 N LYS C 64 18.209 -13.885 -9.202 1.00 96.89 N
+ATOM 1114 CA LYS C 64 17.498 -13.314 -10.343 1.00 96.89 C
+ATOM 1115 C LYS C 64 16.024 -13.095 -10.018 1.00 96.89 C
+ATOM 1116 CB LYS C 64 17.636 -14.218 -11.568 1.00 96.89 C
+ATOM 1117 O LYS C 64 15.456 -12.053 -10.355 1.00 96.89 O
+ATOM 1118 CG LYS C 64 17.065 -13.620 -12.846 1.00 96.89 C
+ATOM 1119 CD LYS C 64 17.346 -14.507 -14.052 1.00 96.89 C
+ATOM 1120 CE LYS C 64 16.750 -13.924 -15.326 1.00 96.89 C
+ATOM 1121 NZ LYS C 64 17.039 -14.781 -16.515 1.00 96.89 N
+ATOM 1122 N CYS C 65 15.441 -14.105 -9.365 1.00 97.25 N
+ATOM 1123 CA CYS C 65 14.040 -14.005 -8.972 1.00 97.25 C
+ATOM 1124 C CYS C 65 13.816 -12.814 -8.048 1.00 97.25 C
+ATOM 1125 CB CYS C 65 13.583 -15.290 -8.282 1.00 97.25 C
+ATOM 1126 O CYS C 65 12.874 -12.042 -8.239 1.00 97.25 O
+ATOM 1127 SG CYS C 65 11.868 -15.244 -7.718 1.00 97.25 S
+ATOM 1128 N ILE C 66 14.708 -12.555 -7.059 1.00 97.77 N
+ATOM 1129 CA ILE C 66 14.588 -11.479 -6.081 1.00 97.77 C
+ATOM 1130 C ILE C 66 14.717 -10.128 -6.781 1.00 97.77 C
+ATOM 1131 CB ILE C 66 15.649 -11.608 -4.965 1.00 97.77 C
+ATOM 1132 O ILE C 66 13.994 -9.182 -6.458 1.00 97.77 O
+ATOM 1133 CG1 ILE C 66 15.336 -12.811 -4.068 1.00 97.77 C
+ATOM 1134 CG2 ILE C 66 15.729 -10.318 -4.144 1.00 97.77 C
+ATOM 1135 CD1 ILE C 66 16.454 -13.166 -3.096 1.00 97.77 C
+ATOM 1136 N ALA C 67 15.609 -10.096 -7.739 1.00 97.37 N
+ATOM 1137 CA ALA C 67 15.765 -8.863 -8.505 1.00 97.37 C
+ATOM 1138 C ALA C 67 14.487 -8.524 -9.266 1.00 97.37 C
+ATOM 1139 CB ALA C 67 16.940 -8.983 -9.473 1.00 97.37 C
+ATOM 1140 O ALA C 67 14.016 -7.385 -9.225 1.00 97.37 O
+ATOM 1141 N MET C 68 13.936 -9.520 -9.862 1.00 98.07 N
+ATOM 1142 CA MET C 68 12.700 -9.312 -10.612 1.00 98.07 C
+ATOM 1143 C MET C 68 11.537 -9.011 -9.671 1.00 98.07 C
+ATOM 1144 CB MET C 68 12.377 -10.539 -11.467 1.00 98.07 C
+ATOM 1145 O MET C 68 10.679 -8.184 -9.984 1.00 98.07 O
+ATOM 1146 CG MET C 68 13.298 -10.712 -12.664 1.00 98.07 C
+ATOM 1147 SD MET C 68 12.745 -12.051 -13.789 1.00 98.07 S
+ATOM 1148 CE MET C 68 13.036 -13.497 -12.732 1.00 98.07 C
+ATOM 1149 N CYS C 69 11.546 -9.706 -8.570 1.00 98.19 N
+ATOM 1150 CA CYS C 69 10.500 -9.505 -7.574 1.00 98.19 C
+ATOM 1151 C CYS C 69 10.478 -8.059 -7.092 1.00 98.19 C
+ATOM 1152 CB CYS C 69 10.703 -10.445 -6.386 1.00 98.19 C
+ATOM 1153 O CYS C 69 9.417 -7.435 -7.035 1.00 98.19 O
+ATOM 1154 SG CYS C 69 9.450 -10.270 -5.097 1.00 98.19 S
+ATOM 1155 N MET C 70 11.616 -7.495 -6.753 1.00 98.20 N
+ATOM 1156 CA MET C 70 11.723 -6.110 -6.302 1.00 98.20 C
+ATOM 1157 C MET C 70 11.212 -5.149 -7.370 1.00 98.20 C
+ATOM 1158 CB MET C 70 13.171 -5.771 -5.944 1.00 98.20 C
+ATOM 1159 O MET C 70 10.453 -4.226 -7.069 1.00 98.20 O
+ATOM 1160 CG MET C 70 13.369 -4.336 -5.482 1.00 98.20 C
+ATOM 1161 SD MET C 70 15.135 -3.927 -5.196 1.00 98.20 S
+ATOM 1162 CE MET C 70 15.039 -2.115 -5.145 1.00 98.20 C
+ATOM 1163 N ASP C 71 11.591 -5.421 -8.638 1.00 97.97 N
+ATOM 1164 CA ASP C 71 11.160 -4.568 -9.741 1.00 97.97 C
+ATOM 1165 C ASP C 71 9.643 -4.613 -9.910 1.00 97.97 C
+ATOM 1166 CB ASP C 71 11.847 -4.986 -11.043 1.00 97.97 C
+ATOM 1167 O ASP C 71 8.997 -3.572 -10.042 1.00 97.97 O
+ATOM 1168 CG ASP C 71 13.333 -4.673 -11.056 1.00 97.97 C
+ATOM 1169 OD1 ASP C 71 13.790 -3.849 -10.236 1.00 97.97 O
+ATOM 1170 OD2 ASP C 71 14.053 -5.254 -11.897 1.00 97.97 O
+ATOM 1171 N ARG C 72 9.165 -5.759 -9.823 1.00 98.19 N
+ATOM 1172 CA ARG C 72 7.729 -5.929 -10.021 1.00 98.19 C
+ATOM 1173 C ARG C 72 6.943 -5.359 -8.846 1.00 98.19 C
+ATOM 1174 CB ARG C 72 7.384 -7.407 -10.215 1.00 98.19 C
+ATOM 1175 O ARG C 72 5.835 -4.848 -9.023 1.00 98.19 O
+ATOM 1176 CG ARG C 72 7.905 -7.996 -11.516 1.00 98.19 C
+ATOM 1177 CD ARG C 72 7.343 -7.269 -12.729 1.00 98.19 C
+ATOM 1178 NE ARG C 72 8.204 -6.164 -13.142 1.00 98.19 N
+ATOM 1179 NH1 ARG C 72 7.504 -6.169 -15.344 1.00 98.19 N
+ATOM 1180 NH2 ARG C 72 9.080 -4.660 -14.640 1.00 98.19 N
+ATOM 1181 CZ ARG C 72 8.261 -5.667 -14.374 1.00 98.19 C
+ATOM 1182 N TYR C 73 7.516 -5.506 -7.654 1.00 98.09 N
+ATOM 1183 CA TYR C 73 6.862 -4.893 -6.503 1.00 98.09 C
+ATOM 1184 C TYR C 73 6.727 -3.387 -6.691 1.00 98.09 C
+ATOM 1185 CB TYR C 73 7.643 -5.192 -5.219 1.00 98.09 C
+ATOM 1186 O TYR C 73 5.675 -2.811 -6.403 1.00 98.09 O
+ATOM 1187 CG TYR C 73 6.919 -4.781 -3.960 1.00 98.09 C
+ATOM 1188 CD1 TYR C 73 7.063 -3.498 -3.437 1.00 98.09 C
+ATOM 1189 CD2 TYR C 73 6.092 -5.676 -3.289 1.00 98.09 C
+ATOM 1190 CE1 TYR C 73 6.400 -3.116 -2.276 1.00 98.09 C
+ATOM 1191 CE2 TYR C 73 5.424 -5.305 -2.127 1.00 98.09 C
+ATOM 1192 OH TYR C 73 4.925 -3.652 -0.479 1.00 98.09 O
+ATOM 1193 CZ TYR C 73 5.584 -4.025 -1.629 1.00 98.09 C
+ATOM 1194 N MET C 74 7.766 -2.758 -7.188 1.00 97.87 N
+ATOM 1195 CA MET C 74 7.743 -1.316 -7.414 1.00 97.87 C
+ATOM 1196 C MET C 74 6.755 -0.954 -8.518 1.00 97.87 C
+ATOM 1197 CB MET C 74 9.139 -0.806 -7.775 1.00 97.87 C
+ATOM 1198 O MET C 74 6.036 0.041 -8.411 1.00 97.87 O
+ATOM 1199 CG MET C 74 10.135 -0.882 -6.628 1.00 97.87 C
+ATOM 1200 SD MET C 74 9.565 0.030 -5.141 1.00 97.87 S
+ATOM 1201 CE MET C 74 9.745 1.738 -5.725 1.00 97.87 C
+ATOM 1202 N ASP C 75 6.717 -1.812 -9.547 1.00 98.36 N
+ATOM 1203 CA ASP C 75 5.733 -1.600 -10.604 1.00 98.36 C
+ATOM 1204 C ASP C 75 4.311 -1.678 -10.054 1.00 98.36 C
+ATOM 1205 CB ASP C 75 5.920 -2.624 -11.725 1.00 98.36 C
+ATOM 1206 O ASP C 75 3.471 -0.832 -10.368 1.00 98.36 O
+ATOM 1207 CG ASP C 75 7.210 -2.423 -12.502 1.00 98.36 C
+ATOM 1208 OD1 ASP C 75 7.817 -1.335 -12.405 1.00 98.36 O
+ATOM 1209 OD2 ASP C 75 7.620 -3.360 -13.221 1.00 98.36 O
+ATOM 1210 N ALA C 76 4.113 -2.698 -9.311 1.00 98.62 N
+ATOM 1211 CA ALA C 76 2.791 -2.884 -8.717 1.00 98.62 C
+ATOM 1212 C ALA C 76 2.435 -1.720 -7.797 1.00 98.62 C
+ATOM 1213 CB ALA C 76 2.734 -4.202 -7.950 1.00 98.62 C
+ATOM 1214 O ALA C 76 1.291 -1.258 -7.785 1.00 98.62 O
+ATOM 1215 N TRP C 77 3.426 -1.297 -7.031 1.00 98.43 N
+ATOM 1216 CA TRP C 77 3.217 -0.160 -6.141 1.00 98.43 C
+ATOM 1217 C TRP C 77 2.714 1.053 -6.917 1.00 98.43 C
+ATOM 1218 CB TRP C 77 4.511 0.191 -5.402 1.00 98.43 C
+ATOM 1219 O TRP C 77 1.778 1.730 -6.485 1.00 98.43 O
+ATOM 1220 CG TRP C 77 4.383 1.358 -4.469 1.00 98.43 C
+ATOM 1221 CD1 TRP C 77 4.548 2.680 -4.776 1.00 98.43 C
+ATOM 1222 CD2 TRP C 77 4.068 1.305 -3.075 1.00 98.43 C
+ATOM 1223 CE2 TRP C 77 4.057 2.635 -2.598 1.00 98.43 C
+ATOM 1224 CE3 TRP C 77 3.792 0.262 -2.181 1.00 98.43 C
+ATOM 1225 NE1 TRP C 77 4.353 3.453 -3.655 1.00 98.43 N
+ATOM 1226 CH2 TRP C 77 3.515 1.909 -0.412 1.00 98.43 C
+ATOM 1227 CZ2 TRP C 77 3.781 2.948 -1.265 1.00 98.43 C
+ATOM 1228 CZ3 TRP C 77 3.518 0.576 -0.855 1.00 98.43 C
+ATOM 1229 N ASN C 78 3.288 1.335 -8.030 1.00 98.36 N
+ATOM 1230 CA ASN C 78 2.893 2.470 -8.858 1.00 98.36 C
+ATOM 1231 C ASN C 78 1.484 2.292 -9.418 1.00 98.36 C
+ATOM 1232 CB ASN C 78 3.894 2.679 -9.995 1.00 98.36 C
+ATOM 1233 O ASN C 78 0.693 3.236 -9.429 1.00 98.36 O
+ATOM 1234 CG ASN C 78 5.222 3.228 -9.512 1.00 98.36 C
+ATOM 1235 ND2 ASN C 78 6.292 2.911 -10.230 1.00 98.36 N
+ATOM 1236 OD1 ASN C 78 5.285 3.932 -8.500 1.00 98.36 O
+ATOM 1237 N THR C 79 1.218 1.102 -9.793 1.00 98.81 N
+ATOM 1238 CA THR C 79 -0.104 0.812 -10.339 1.00 98.81 C
+ATOM 1239 C THR C 79 -1.181 0.996 -9.274 1.00 98.81 C
+ATOM 1240 CB THR C 79 -0.174 -0.619 -10.903 1.00 98.81 C
+ATOM 1241 O THR C 79 -2.202 1.641 -9.521 1.00 98.81 O
+ATOM 1242 CG2 THR C 79 -1.558 -0.920 -11.468 1.00 98.81 C
+ATOM 1243 OG1 THR C 79 0.798 -0.763 -11.947 1.00 98.81 O
+ATOM 1244 N VAL C 80 -0.946 0.487 -8.146 1.00 98.82 N
+ATOM 1245 CA VAL C 80 -1.897 0.555 -7.041 1.00 98.82 C
+ATOM 1246 C VAL C 80 -2.056 2.003 -6.584 1.00 98.82 C
+ATOM 1247 CB VAL C 80 -1.455 -0.333 -5.856 1.00 98.82 C
+ATOM 1248 O VAL C 80 -3.174 2.467 -6.350 1.00 98.82 O
+ATOM 1249 CG1 VAL C 80 -2.270 -0.009 -4.606 1.00 98.82 C
+ATOM 1250 CG2 VAL C 80 -1.590 -1.811 -6.218 1.00 98.82 C
+ATOM 1251 N SER C 81 -0.944 2.696 -6.499 1.00 98.61 N
+ATOM 1252 CA SER C 81 -0.990 4.103 -6.113 1.00 98.61 C
+ATOM 1253 C SER C 81 -1.824 4.918 -7.096 1.00 98.61 C
+ATOM 1254 CB SER C 81 0.422 4.682 -6.027 1.00 98.61 C
+ATOM 1255 O SER C 81 -2.654 5.733 -6.687 1.00 98.61 O
+ATOM 1256 OG SER C 81 1.163 4.050 -4.998 1.00 98.61 O
+ATOM 1257 N ARG C 82 -1.661 4.706 -8.341 1.00 98.64 N
+ATOM 1258 CA ARG C 82 -2.407 5.416 -9.375 1.00 98.64 C
+ATOM 1259 C ARG C 82 -3.892 5.072 -9.311 1.00 98.64 C
+ATOM 1260 CB ARG C 82 -1.852 5.086 -10.762 1.00 98.64 C
+ATOM 1261 O ARG C 82 -4.744 5.956 -9.428 1.00 98.64 O
+ATOM 1262 CG ARG C 82 -0.554 5.805 -11.092 1.00 98.64 C
+ATOM 1263 CD ARG C 82 -0.189 5.662 -12.563 1.00 98.64 C
+ATOM 1264 NE ARG C 82 0.118 4.277 -12.911 1.00 98.64 N
+ATOM 1265 NH1 ARG C 82 1.070 4.783 -14.954 1.00 98.64 N
+ATOM 1266 NH2 ARG C 82 0.941 2.605 -14.252 1.00 98.64 N
+ATOM 1267 CZ ARG C 82 0.709 3.892 -14.038 1.00 98.64 C
+ATOM 1268 N ALA C 83 -4.171 3.837 -9.133 1.00 98.82 N
+ATOM 1269 CA ALA C 83 -5.562 3.398 -9.057 1.00 98.82 C
+ATOM 1270 C ALA C 83 -6.274 4.033 -7.866 1.00 98.82 C
+ATOM 1271 CB ALA C 83 -5.636 1.875 -8.967 1.00 98.82 C
+ATOM 1272 O ALA C 83 -7.425 4.462 -7.979 1.00 98.82 O
+ATOM 1273 N TYR C 84 -5.551 4.040 -6.773 1.00 98.57 N
+ATOM 1274 CA TYR C 84 -6.128 4.629 -5.570 1.00 98.57 C
+ATOM 1275 C TYR C 84 -6.369 6.122 -5.756 1.00 98.57 C
+ATOM 1276 CB TYR C 84 -5.214 4.393 -4.364 1.00 98.57 C
+ATOM 1277 O TYR C 84 -7.443 6.630 -5.426 1.00 98.57 O
+ATOM 1278 CG TYR C 84 -5.765 4.939 -3.069 1.00 98.57 C
+ATOM 1279 CD1 TYR C 84 -4.951 5.643 -2.185 1.00 98.57 C
+ATOM 1280 CD2 TYR C 84 -7.100 4.752 -2.727 1.00 98.57 C
+ATOM 1281 CE1 TYR C 84 -5.454 6.146 -0.990 1.00 98.57 C
+ATOM 1282 CE2 TYR C 84 -7.614 5.251 -1.535 1.00 98.57 C
+ATOM 1283 OH TYR C 84 -7.288 6.442 0.508 1.00 98.57 O
+ATOM 1284 CZ TYR C 84 -6.785 5.946 -0.674 1.00 98.57 C
+ATOM 1285 N ASN C 85 -5.426 6.776 -6.269 1.00 98.26 N
+ATOM 1286 CA ASN C 85 -5.569 8.205 -6.528 1.00 98.26 C
+ATOM 1287 C ASN C 85 -6.748 8.492 -7.452 1.00 98.26 C
+ATOM 1288 CB ASN C 85 -4.278 8.775 -7.121 1.00 98.26 C
+ATOM 1289 O ASN C 85 -7.534 9.406 -7.198 1.00 98.26 O
+ATOM 1290 CG ASN C 85 -4.319 10.283 -7.266 1.00 98.26 C
+ATOM 1291 ND2 ASN C 85 -3.824 10.989 -6.257 1.00 98.26 N
+ATOM 1292 OD1 ASN C 85 -4.791 10.810 -8.277 1.00 98.26 O
+ATOM 1293 N SER C 86 -6.858 7.704 -8.497 1.00 97.82 N
+ATOM 1294 CA SER C 86 -7.958 7.867 -9.442 1.00 97.82 C
+ATOM 1295 C SER C 86 -9.307 7.648 -8.764 1.00 97.82 C
+ATOM 1296 CB SER C 86 -7.805 6.898 -10.615 1.00 97.82 C
+ATOM 1297 O SER C 86 -10.266 8.376 -9.029 1.00 97.82 O
+ATOM 1298 OG SER C 86 -8.877 7.043 -11.531 1.00 97.82 O
+ATOM 1299 N ARG C 87 -9.336 6.644 -7.967 1.00 97.70 N
+ATOM 1300 CA ARG C 87 -10.565 6.354 -7.236 1.00 97.70 C
+ATOM 1301 C ARG C 87 -10.951 7.519 -6.331 1.00 97.70 C
+ATOM 1302 CB ARG C 87 -10.410 5.077 -6.408 1.00 97.70 C
+ATOM 1303 O ARG C 87 -12.119 7.909 -6.276 1.00 97.70 O
+ATOM 1304 CG ARG C 87 -11.623 4.745 -5.553 1.00 97.70 C
+ATOM 1305 CD ARG C 87 -12.825 4.363 -6.405 1.00 97.70 C
+ATOM 1306 NE ARG C 87 -13.966 3.972 -5.583 1.00 97.70 N
+ATOM 1307 NH1 ARG C 87 -14.009 1.782 -6.317 1.00 97.70 N
+ATOM 1308 NH2 ARG C 87 -15.540 2.508 -4.773 1.00 97.70 N
+ATOM 1309 CZ ARG C 87 -14.502 2.755 -5.560 1.00 97.70 C
+ATOM 1310 N LEU C 88 -10.063 8.128 -5.657 1.00 96.35 N
+ATOM 1311 CA LEU C 88 -10.327 9.267 -4.784 1.00 96.35 C
+ATOM 1312 C LEU C 88 -10.875 10.446 -5.581 1.00 96.35 C
+ATOM 1313 CB LEU C 88 -9.053 9.683 -4.045 1.00 96.35 C
+ATOM 1314 O LEU C 88 -11.795 11.132 -5.129 1.00 96.35 O
+ATOM 1315 CG LEU C 88 -8.682 8.854 -2.813 1.00 96.35 C
+ATOM 1316 CD1 LEU C 88 -8.124 7.499 -3.235 1.00 96.35 C
+ATOM 1317 CD2 LEU C 88 -7.679 9.606 -1.945 1.00 96.35 C
+ATOM 1318 N GLN C 89 -10.362 10.657 -6.699 1.00 96.08 N
+ATOM 1319 CA GLN C 89 -10.802 11.753 -7.556 1.00 96.08 C
+ATOM 1320 C GLN C 89 -12.239 11.542 -8.025 1.00 96.08 C
+ATOM 1321 CB GLN C 89 -9.872 11.899 -8.761 1.00 96.08 C
+ATOM 1322 O GLN C 89 -13.031 12.486 -8.061 1.00 96.08 O
+ATOM 1323 CG GLN C 89 -8.476 12.392 -8.405 1.00 96.08 C
+ATOM 1324 CD GLN C 89 -7.554 12.462 -9.607 1.00 96.08 C
+ATOM 1325 NE2 GLN C 89 -6.357 13.002 -9.405 1.00 96.08 N
+ATOM 1326 OE1 GLN C 89 -7.913 12.033 -10.708 1.00 96.08 O
+ATOM 1327 N ARG C 90 -12.513 10.348 -8.402 1.00 94.92 N
+ATOM 1328 CA ARG C 90 -13.858 10.025 -8.866 1.00 94.92 C
+ATOM 1329 C ARG C 90 -14.882 10.218 -7.753 1.00 94.92 C
+ATOM 1330 CB ARG C 90 -13.916 8.589 -9.390 1.00 94.92 C
+ATOM 1331 O ARG C 90 -15.990 10.701 -7.999 1.00 94.92 O
+ATOM 1332 CG ARG C 90 -13.183 8.382 -10.706 1.00 94.92 C
+ATOM 1333 CD ARG C 90 -13.370 6.969 -11.239 1.00 94.92 C
+ATOM 1334 NE ARG C 90 -12.428 6.034 -10.629 1.00 94.92 N
+ATOM 1335 NH1 ARG C 90 -13.437 4.139 -11.484 1.00 94.92 N
+ATOM 1336 NH2 ARG C 90 -11.574 3.954 -10.161 1.00 94.92 N
+ATOM 1337 CZ ARG C 90 -12.482 4.711 -10.760 1.00 94.92 C
+ATOM 1338 N GLU C 91 -14.479 9.853 -6.585 1.00 91.57 N
+ATOM 1339 CA GLU C 91 -15.392 9.987 -5.453 1.00 91.57 C
+ATOM 1340 C GLU C 91 -15.603 11.452 -5.084 1.00 91.57 C
+ATOM 1341 CB GLU C 91 -14.867 9.210 -4.243 1.00 91.57 C
+ATOM 1342 O GLU C 91 -16.696 11.843 -4.670 1.00 91.57 O
+ATOM 1343 CG GLU C 91 -14.903 7.699 -4.419 1.00 91.57 C
+ATOM 1344 CD GLU C 91 -14.480 6.939 -3.172 1.00 91.57 C
+ATOM 1345 OE1 GLU C 91 -14.610 5.694 -3.146 1.00 91.57 O
+ATOM 1346 OE2 GLU C 91 -14.014 7.594 -2.213 1.00 91.57 O
+ATOM 1347 N ARG C 92 -14.624 12.185 -5.190 1.00 91.86 N
+ATOM 1348 CA ARG C 92 -14.720 13.613 -4.908 1.00 91.86 C
+ATOM 1349 C ARG C 92 -15.566 14.323 -5.960 1.00 91.86 C
+ATOM 1350 CB ARG C 92 -13.327 14.244 -4.843 1.00 91.86 C
+ATOM 1351 O ARG C 92 -16.302 15.260 -5.643 1.00 91.86 O
+ATOM 1352 CG ARG C 92 -12.560 13.912 -3.573 1.00 91.86 C
+ATOM 1353 CD ARG C 92 -11.195 14.587 -3.546 1.00 91.86 C
+ATOM 1354 NE ARG C 92 -10.379 14.109 -2.434 1.00 91.86 N
+ATOM 1355 NH1 ARG C 92 -8.468 15.234 -3.081 1.00 91.86 N
+ATOM 1356 NH2 ARG C 92 -8.455 13.935 -1.192 1.00 91.86 N
+ATOM 1357 CZ ARG C 92 -9.103 14.427 -2.238 1.00 91.86 C
+ATOM 1358 N ALA C 93 -15.488 13.879 -7.120 1.00 91.74 N
+ATOM 1359 CA ALA C 93 -16.248 14.473 -8.218 1.00 91.74 C
+ATOM 1360 C ALA C 93 -17.734 14.148 -8.095 1.00 91.74 C
+ATOM 1361 CB ALA C 93 -15.709 13.988 -9.561 1.00 91.74 C
+ATOM 1362 O ALA C 93 -18.583 14.917 -8.550 1.00 91.74 O
+ATOM 1363 N ASN C 94 -17.901 13.089 -7.526 1.00 87.24 N
+ATOM 1364 CA ASN C 94 -19.287 12.667 -7.353 1.00 87.24 C
+ATOM 1365 C ASN C 94 -19.918 13.307 -6.119 1.00 87.24 C
+ATOM 1366 CB ASN C 94 -19.378 11.142 -7.266 1.00 87.24 C
+ATOM 1367 O ASN C 94 -21.130 13.217 -5.919 1.00 87.24 O
+ATOM 1368 CG ASN C 94 -19.103 10.464 -8.594 1.00 87.24 C
+ATOM 1369 ND2 ASN C 94 -18.862 9.159 -8.554 1.00 87.24 N
+ATOM 1370 OD1 ASN C 94 -19.107 11.108 -9.646 1.00 87.24 O
+ATOM 1371 N MET C 95 -19.131 14.016 -5.292 1.00 74.65 N
+ATOM 1372 CA MET C 95 -19.659 14.725 -4.131 1.00 74.65 C
+ATOM 1373 C MET C 95 -19.918 16.192 -4.460 1.00 74.65 C
+ATOM 1374 CB MET C 95 -18.692 14.618 -2.950 1.00 74.65 C
+ATOM 1375 O MET C 95 -20.904 16.770 -4.000 1.00 74.65 O
+ATOM 1376 CG MET C 95 -18.840 13.333 -2.152 1.00 74.65 C
+ATOM 1377 SD MET C 95 -17.846 13.345 -0.609 1.00 74.65 S
+ATOM 1378 CE MET C 95 -17.936 11.590 -0.157 1.00 74.65 C
+TER 1379 MET C 95
+ENDMDL
+END
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_5_model_1_scores.json b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_5_model_1_scores.json
new file mode 100644
index 0000000000000000000000000000000000000000..a3201c7e6b7901f9fe6924af2f7b0fe216bd0119
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/Q9Y5J9-Q9Y5L4_unrelaxed_rank_5_model_1_scores.json
@@ -0,0 +1 @@
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.86,49.43,27.71,16.06,37.77,16.33,70.36,25.0,66.84,89.84,95.62,15.57,55.33,29.15,86.77,5.75,71.26],[77.94,41.54,2.33,19.46,65.75,91.24,80.3,36.65,91.08,87.05,88.46,13.47,71.51,30.96,42.42,8.63,54.0,90.99,14.71,43.31,50.54,4.54,23.87,24.82,73.07,38.72,11.21,98.36,66.47,63.4,1.18,62.17,3.36,67.89,22.58,28.57,24.98,29.07,89.03,14.72,5.78,9.54,49.35,56.6,23.59,71.4,28.08,82.52,49.36,97.74,90.55,1.56,78.45,47.07,14.12,30.4,20.48,41.98,92.81,23.64,62.06,39.44,11.91,3.67,27.7,16.06,31.32,53.77,6.08,73.38,77.67,35.09,4.37,36.44,52.58,98.23,66.39,27.15,34.21,32.43,67.74,1.11,47.41,29.92,61.76,6.53,78.39,89.02,18.01,13.56,1.72,29.15,69.55,0.88,34.53,89.82,41.85,74.24,1.65,35.02,67.1,0.79,21.41,26.68,88.7,26.63,63.86,95.46,11.64,68.27,27.11,22.96,55.81,28.49,32.59,56.47,79.67,98.22,46.11,48.62,87.66,20.51,75.87,58.13,40.0,22.53,74.02,37.02,19.6,28.51,73.2,30.14,90.4,2.94,62.79,36.32,65.71,22.07,45.29,94.2,80.2,50.91,9.36,69.64,48.31,24.52,54.8,11.34,81.95,8.86,12.3,80.8,4.76,70.31,15.08,29.59,1.77,48.24,83.6,18.1,95.3,59.22,72.3,42.04,61.68,16.34,0.95,85.29,45.88,58.92,51.46,35.05,12.91,46.69,41.01,12.85,69.75,41.37],[7.33,93.92,57.46,24.87,1.82,29.05,71.23,90.85,66.85,49.76,8.01,63.89,75.18,38.79,85.71,44.25,29.23,55.79,77.45,54.01,36.94,28.25,27.8,6.47,68.33,93.63,78.17,34.05,28.79,34.97,87.57,6.04,90.95,40.51,0.27,92.21,89.13,14.64,17.8,11.89,18.62,1.42,21.72,40.15,23.45,58.73,52.64,33.13,85.33,49.27,59.2,62.96,19.87,37.18,66.47,36.79,45.45,41.98,27.93,64.99,68.13,48.93,62.36,48.13,27.4,98.25,40.95,49.04,3.65,77.25,17.46,61.81,90.24,25.64,31.79,73.78,95.05,43.62,46.34,76.0,10.77,91.4,87.0,80.13,27.93,61.52,37.23,46.57,39.96,74.57,54.14,0.35,55.04,2.55,51.0,46.74,15.82,26.3,53.62,51.99,4.9,36.26,4.99,65.99,98.49,59.84,86.52,54.49,52.05,37.33,7.79,30.36,76.03,10.36,46.05,42.5,30.48,63.59,61.85,57.01,97.59,29.58,65.25,55.83,22.51,6.96,3.24,33.03,46.82,69.87,12.5,71.0,77.09,79.15,3.37,29.85,44.56,15.76,22.9,44.69,20.51,39.89,89.32,59.05,77.43,82.37,91.11,15.7,45.07,84.34,80.8,82.84,59.29,62.6,45.87,7.65,78.08,76.23,75.27,56.16,17.55,97.53,57.68,35.48,44.84,84.57,38.15,56.72,43.42,29.22,75.73,96.11,27.03,54.26,43.03,89.99,33.38,16.22],[43.93,3.51,42.94,4.84,51.86,51.22,14.57,51.44,44.57,91.94,83.5,77.43,60.46,60.44,88.2,57.35,11.34,43.24,34.41,97.71,88.95,75.12,32.11,46.48,16.2,82.72,85.58,29.53,13.16,54.97,74.15,16.7,32.33,10.76,72.26,24.57,65.9,29.53,79.46,15.08,67.23,90.9,94.98,49.48,45.59,9.31,48.31,62.28,54.58,47.57,66.04,9.33,57.9,44.87,16.48,47.88,26.6,36.96,18.52,7.18,72.02,66.14,34.9,6.85,92.68,59.58,32.16,14.61,23.03,32.26,6.12,34.79,85.28,15.43,37.51,14.97,45.48,25.47,94.74,92.99,71.65,43.55,87.29,1.79,25.17,22.93,77.51,78.81,13.2,10.12,7.83,95.47,17.73,42.88,42.86,16.76,83.29,73.71,38.45,39.42,28.67,57.33,63.21,89.36,68.4,90.25,73.16,54.3,42.06,45.2,19.95,88.06,29.1,9.83,52.53,61.02,68.89,68.63,47.48,60.42,51.17,27.34,98.97,36.9,95.53,73.95,65.0,44.14,92.41,16.56,11.68,66.96,34.36,27.11,47.93,35.21,72.84,5.0,79.16,40.96,52.55,45.44,38.44,64.36,52.67,32.49,55.62,15.99,21.16,73.62,11.06,22.6,31.0,59.87,3.64,55.02,78.29,81.91,95.89,63.56,71.75,11.17,92.9,8.28,37.88,24.79,38.3,60.79,77.62,86.36,55.11,38.32,49.91,17.22,63.1,97.47,74.99,24.67],[42.23,62.04,15.46,41.61,3.35,70.91,61.64,10.82,14.55,0.93,39.23,72.22,55.19,4.11,76.73,45.5,14.49,94.55,6.76,33.64,26.93,95.64,84.35,82.68,34.59,36.91,42.76,19.21,10.26,21.99,28.86,17.11,44.31,43.04,88.26,8.83,23.05,55.74,66.89,29.83,50.24,83.63,62.05,71.33,43.25,14.98,7.19,94.19,32.74,5.7,80.33,34.05,14.93,3.46,3.75,12.78,23.16,46.64,75.22,21.33,26.12,94.48,3.69,97.59,11.62,88.28,30.29,26.43,45.38,32.57,40.46,91.17,47.16,71.73,88.43,48.82,42.02,40.76,46.84,61.18,22.98,55.84,45.39,74.07,10.36,22.44,43.44,80.7,53.03,56.32,32.21,38.96,54.27,55.22,57.41,41.3,38.26,43.26,98.84,39.88,36.4,62.17,69.56,4.7,94.07,83.26,14.2,92.31,96.13,85.94,44.79,80.85,69.74,48.53,7.66,77.95,37.97,88.33,7.91,91.12,85.87,34.29,0.04,69.61,19.09,55.42,91.04,52.07,85.16,12.59,39.67,46.44,63.95,86.64,54.42,23.61,71.05,84.98,90.68,1.68,0.9,97.67,25.79,84.6,25.09,60.66,16.36,65.28,18.32,64.46,0.44,56.84,33.67,94.75,93.46,88.25,95.74,19.71,36.64,88.06,74.44,53.92,36.81,59.32,4.96,18.97,11.57,87.69,88.67,70.17,42.39,75.42,44.7,60.32,80.65,88.91,89.66,22.53]],"plddt":[42.34,50.21,53.12,57.34,60.84,68.86,68.56,74.65,80.97,83.48,83.22,83.92,86.52,88.24,85.41,87.28,91.95,90.18,90.0,91.23,93.77,93.0,92.95,95.14,96.07,95.71,96.22,97.5,98.16,97.43,97.81,98.67,98.55,97.31,98.31,98.78,98.39,96.19,97.86,98.46,97.38,93.06,91.46,91.39,91.1,93.15,94.72,96.15,95.29,96.67,97.35,98.1,98.1,98.58,98.83,98.87,98.8,98.84,98.87,98.82,98.64,98.7,98.67,98.17,98.31,98.6,97.83,97.24,98.28,98.29,97.33,96.65,97.25,96.81,96.09,95.32,95.48,94.86,92.95,92.43,81.84,76.22,60.35,28.57,35.42,37.54,40.33,44.33,39.78,40.86,41.26,41.45,36.36,39.73,40.23,39.14,42.15,44.56,51.09,57.77,71.2,72.53,73.42,80.45,78.02,80.76,84.62,86.92,84.86,85.84,90.49,91.26,89.28,90.49,93.81,92.72,91.96,93.58,96.35,95.41,95.78,97.33,97.68,97.38,97.42,97.96,97.57,97.67,98.15,97.41,95.86,96.46,97.14,97.22,91.98,92.74,89.43,91.02,91.79,95.36,96.2,95.29,96.52,95.4,96.5,97.02,96.89,97.25,97.77,97.37,98.07,98.19,98.2,97.97,98.19,98.09,97.87,98.36,98.62,98.43,98.36,98.81,98.82,98.61,98.64,98.82,98.57,98.26,97.82,97.7,96.35,96.08,94.92,91.57,91.86,91.74,87.24,74.65],"ptm":0.24}
\ No newline at end of file
diff --git a/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/config.json b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..0c87cb21f70d30d18988445f06a41a95c636b03c
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/example/Q9Y5J9-Q9Y5L4/config.json
@@ -0,0 +1,25 @@
+{
+ "num_queries": 1,
+ "use_templates": false,
+ "use_amber": false,
+ "msa_mode": "MMseqs2 (UniRef+Environmental)",
+ "model_type": "AlphaFold2-multimer-v2",
+ "num_models": 5,
+ "num_recycles": 3,
+ "model_order": [
+ 3,
+ 4,
+ 5,
+ 1,
+ 2
+ ],
+ "keep_existing_results": true,
+ "rank_by": "multimer",
+ "pair_mode": "unpaired+paired",
+ "host_url": "https://api.colabfold.com",
+ "stop_at_score": 100,
+ "recompile_padding": 1.1,
+ "recompile_all_models": true,
+ "commit": "b532e910b15434f707f0b7460abc25c70fcb9b26",
+ "version": "1.2.0"
+}
\ No newline at end of file
diff --git a/projects/human-heterodimers-w-crosslinks/translate2modelcif.py b/projects/human-heterodimers-w-crosslinks/translate2modelcif.py
new file mode 100755
index 0000000000000000000000000000000000000000..a518deff9ab0e28af3b8dab3178c047545dc0ade
--- /dev/null
+++ b/projects/human-heterodimers-w-crosslinks/translate2modelcif.py
@@ -0,0 +1,1150 @@
+#! /usr/local/bin/ost
+"""Translate models from Tara/ Xabi from PDB + extra data into ModelCIF."""
+
+import argparse
+import datetime
+import gzip
+import os
+import shutil
+import sys
+import zipfile
+
+from timeit import default_timer as timer
+import numpy as np
+import requests
+import ujson as json
+
+import ihm
+import ihm.citations
+import modelcif
+import modelcif.associated
+import modelcif.dumper
+import modelcif.model
+import modelcif.protocol
+import modelcif.reference
+
+from ost import io
+
+
+# EXAMPLES for running:
+# ost scripts/translate2modelcif.py --selected-rank 1 --out-dir="./modelcif" \
+# "A0A1B0GTU1-O75152"
+
+
+def _parse_args():
+ """Parse command line arguments."""
+ parser = argparse.ArgumentParser(
+ formatter_class=argparse.RawDescriptionHelpFormatter,
+ description=__doc__,
+ )
+
+ parser.add_argument(
+ "model_dir",
+ type=str,
+ metavar="<MODEL DIR>",
+ help="Directory with model(s) to be translated. Must be of form "
+ + "'<UniProtKB AC>-<UniProtKB AC>'",
+ )
+ parser.add_argument(
+ "--selected-rank",
+ type=str,
+ default=None,
+ help="If a certain model of a modelling project is selected by rank, "
+ + "the other models are still translated to ModelCIF but stored as "
+ + "accompanying files to the selected model.",
+ )
+ parser.add_argument(
+ "--out-dir",
+ type=str,
+ metavar="<OUTPUT DIR>",
+ default="",
+ help="Path to separate path to store results "
+ "(<MODEL DIR> used, if none given).",
+ )
+ parser.add_argument(
+ "--compress",
+ default=False,
+ action="store_true",
+ help="Compress ModelCIF file with gzip "
+ "(note that QA file is zipped either way).",
+ )
+ opts = parser.parse_args()
+
+ # check that model dir exists
+ if opts.model_dir.endswith("/"):
+ opts.model_dir = opts.model_dir[:-1]
+ if not os.path.exists(opts.model_dir):
+ _abort_msg(f"Model directory '{opts.model_dir}' does not exist.")
+ if not os.path.isdir(opts.model_dir):
+ _abort_msg(f"Path '{opts.model_dir}' does not point to a directory.")
+ # check out_dir
+ if not opts.out_dir:
+ opts.out_dir = opts.model_dir
+ else:
+ if not os.path.exists(opts.out_dir):
+ _abort_msg(f"Output directory '{opts.out_dir}' does not exist.")
+ if not os.path.isdir(opts.out_dir):
+ _abort_msg(f"Path '{opts.out_dir}' does not point to a directory.")
+
+ return opts
+
+
+# pylint: disable=too-few-public-methods
+class _GlobalPTM(modelcif.qa_metric.Global, modelcif.qa_metric.PTM):
+ """Predicted accuracy according to the TM-score score in [0,1]"""
+
+ name = "pTM"
+ software = None
+
+
+class _GlobalPLDDT(modelcif.qa_metric.Global, modelcif.qa_metric.PLDDT):
+ """Predicted accuracy according to the CA-only lDDT in [0,100]"""
+
+ name = "pLDDT"
+ software = None
+
+
+class _LocalPLDDT(modelcif.qa_metric.Local, modelcif.qa_metric.PLDDT):
+ """Predicted accuracy according to the CA-only lDDT in [0,100]"""
+
+ name = "pLDDT"
+ software = None
+
+
+class _PAE(modelcif.qa_metric.MetricType):
+ """Predicted aligned error (in Angstroms)"""
+
+ type = "PAE"
+ other_details = None
+
+
+class _LocalPairwisePAE(modelcif.qa_metric.LocalPairwise, _PAE):
+ """Predicted aligned error (in Angstroms)"""
+
+ name = "PAE"
+ software = None
+
+
+# pylint: enable=too-few-public-methods
+
+
+class _OST2ModelCIF(modelcif.model.AbInitioModel):
+ """Map OST entity elements to ihm.model"""
+
+ def __init__(self, *args, **kwargs):
+ """Initialise a model"""
+ self.ost_entity = kwargs.pop("ost_entity")
+ self.asym = kwargs.pop("asym")
+
+ super().__init__(*args, **kwargs)
+
+ def get_atoms(self):
+ for atm in self.ost_entity.atoms:
+ yield modelcif.model.Atom(
+ asym_unit=self.asym[atm.chain.name],
+ seq_id=atm.residue.number.num,
+ atom_id=atm.name,
+ type_symbol=atm.element,
+ x=atm.pos[0],
+ y=atm.pos[1],
+ z=atm.pos[2],
+ het=atm.is_hetatom,
+ biso=atm.b_factor,
+ occupancy=atm.occupancy,
+ )
+
+ def add_scores(self, scores_json, entry_id, mdl_name, add_files):
+ """Add QA metrics from AF2 scores."""
+ # global scores
+ self.qa_metrics.extend(
+ (
+ _GlobalPLDDT(np.mean(scores_json["plddt"])),
+ _GlobalPTM(scores_json["ptm"]),
+ )
+ )
+
+ # local scores
+ lpae = []
+ i = 0
+ for chn_i in self.ost_entity.chains:
+ for res_i in chn_i.residues:
+ # local pLDDT
+ self.qa_metrics.append(
+ _LocalPLDDT(
+ self.asym[chn_i.name].residue(res_i.number.num),
+ scores_json["plddt"][i],
+ )
+ )
+
+ # pairwise alignment error
+ j = 0
+ # We do a 2nd iteration over the OST entity above doing index
+ # magic because it keeps the code cleaner and is only around
+ # 0.3s slower than iterating the array directly. Majority of
+ # time goes into writing files, anyway.
+ for chn_j in self.ost_entity.chains:
+ for res_j in chn_j.residues:
+ lpae.append(
+ _LocalPairwisePAE(
+ self.asym[chn_i.name].residue(res_i.number.num),
+ self.asym[chn_j.name].residue(res_j.number.num),
+ scores_json["pae"][i][j],
+ )
+ )
+ j += 1
+
+ i += 1
+
+ self.qa_metrics.extend(lpae)
+
+ ac_file = f"{mdl_name}_local_pairwise_qa.cif"
+ arc_files = [
+ modelcif.associated.LocalPairwiseQAScoresFile(
+ ac_file,
+ categories=["_ma_qa_metric_local_pairwise"],
+ copy_categories=["_ma_qa_metric"],
+ entry_id=entry_id,
+ entry_details="This file is an associated file consisting "
+ + "of local pairwise QA metrics. This is a partial mmCIF "
+ + "file and can be validated by merging with the main "
+ + "mmCIF file containing the model coordinates and other "
+ + "associated data.",
+ details="Predicted aligned error",
+ )
+ ]
+ if add_files:
+ arc_files.extend(add_files)
+
+ return modelcif.associated.Repository(
+ "",
+ [modelcif.associated.ZipFile(f"{mdl_name}.zip", files=arc_files)],
+ )
+ # NOTE: by convention MA expects zip file with same name as model-cif
+
+
+def _abort_msg(msg, exit_code=1):
+ """Write error message and exit with exit_code."""
+ print(f"{msg}\nAborting.", file=sys.stderr)
+ sys.exit(exit_code)
+
+
+def _warn_msg(msg):
+ """Write a warning message to stdout."""
+ print(f"WARNING: {msg}")
+
+
+def _check_file(file_path):
+ """Make sure a file exists and is actually a file."""
+ if not os.path.exists(file_path):
+ _abort_msg(f"File not found: '{file_path}'.")
+ if not os.path.isfile(file_path):
+ _abort_msg(f"File path does not point to file: '{file_path}'.")
+
+
+def _check_interaction_extra_files_present(model_dir):
+ """Make sure some general files are present for an interaction."""
+ cnfg = os.path.join(model_dir, "config.json")
+ _check_file(cnfg)
+ return cnfg
+
+
+def _check_model_extra_files_present(model_dir, pdb_file):
+ """Check that all files needed to process this model are present."""
+ uid = os.path.splitext(pdb_file)[0]
+ prfx = os.path.join(model_dir, uid)
+ scrs = f"{prfx}_scores.json"
+ _check_file(scrs)
+ return prfx, uid
+
+
+def _get_audit_authors():
+ """Return the list of authors that produced this model."""
+ return (
+ "Bartolec, T.K.",
+ "Vazquez-Campos, X.",
+ "Norman, A.",
+ "Luong, C.",
+ "Payne, R.J.",
+ "Wilkins, M.R.",
+ "Mackay, J.P.",
+ "Low, J.K.K.",
+ )
+
+
+def _parse_colabfold_config(cnfg_file):
+ """Read config.json and fetch relevant data from it."""
+ # NOTE: following code from
+ # https://github.com/sokrypton/ColabFold/blob/main/colabfold/batch.py to
+ # understand config
+
+ # fetch and drop fields which are not relevant for model building
+ with open(cnfg_file, encoding="utf8") as jfh:
+ cf_config = json.load(jfh)
+ if "num_queries" in cf_config:
+ del cf_config["num_queries"]
+ # fetch relevant data
+ # -> MSA mode
+ if cf_config["msa_mode"] == "MMseqs2 (UniRef+Environmental)":
+ seq_dbs = ["UniRef", "Environmental"]
+ use_mmseqs = True
+ use_msa = True
+ elif cf_config["msa_mode"] == "MMseqs2 (UniRef only)":
+ seq_dbs = ["UniRef"]
+ use_mmseqs = True
+ use_msa = True
+ elif cf_config["msa_mode"] == "single_sequence":
+ seq_dbs = []
+ use_mmseqs = False
+ use_msa = False
+ elif cf_config["msa_mode"] == "custom":
+ _warn_msg(
+ "Custom MSA mode used. Not clear from config what to do here!"
+ )
+ seq_dbs = []
+ use_mmseqs = False
+ use_msa = True
+ else:
+ raise ValueError(f"Unknown msa_mode {cf_config['msa_mode']}")
+ # -> model type
+ if cf_config["model_type"] == "AlphaFold2-multimer-v1":
+ # AF-Multimer as introduced in AlphaFold v2.1.0
+ use_multimer = True
+ multimer_version = 1
+ elif cf_config["model_type"] == "AlphaFold2-multimer-v2":
+ # AF-Multimer as introduced in AlphaFold v2.2.0
+ use_multimer = True
+ multimer_version = 2
+ elif cf_config["model_type"] == "AlphaFold2-ptm":
+ use_multimer = False
+ multimer_version = None
+ else:
+ raise ValueError(f"Unknown model_type {cf_config['model_type']}")
+
+ # write modeling description
+ mdl_description = f"Model generated using ColabFold v{cf_config['version']}"
+ if use_multimer:
+ mdl_description += f" with AlphaFold-Multimer (v{multimer_version})"
+ else:
+ mdl_description += " with AlphaFold"
+ if cf_config["stop_at_score"] < 100:
+ # early stopping feature of ColabFold
+ upto = "up to "
+ else:
+ upto = ""
+ mdl_description += (
+ f" producing {upto}{cf_config['num_models']} models"
+ f" with {upto}{cf_config['num_recycles']} recycles each"
+ )
+ if cf_config["use_amber"]:
+ mdl_description += ", with AMBER relaxation"
+ else:
+ mdl_description += ", without model relaxation"
+ if cf_config["use_templates"]:
+ _warn_msg(
+ "ColabFold may use PDB70 or custom templates. Not clear "
+ + "from config!"
+ )
+ mdl_description += ", using templates"
+ else:
+ mdl_description += ", without templates"
+ if cf_config["rank_by"] == "plddt":
+ mdl_description += ", ranked by pLDDT"
+ elif cf_config["rank_by"] == "ptmscore":
+ mdl_description += ", ranked by pTM"
+ elif cf_config["rank_by"] == "multimer":
+ mdl_description += ", ranked by ipTM*0.8+pTM*0.2"
+ else:
+ raise ValueError(f"Unknown rank_by {cf_config['rank_by']}")
+ if use_msa:
+ mdl_description += ", starting from"
+ if use_mmseqs:
+ msa_type = "MSA"
+ else:
+ msa_type = "custom MSA"
+ if use_multimer:
+ if cf_config["pair_mode"] == "unpaired+paired":
+ mdl_description += f" paired and unpaired {msa_type}s"
+ elif cf_config["pair_mode"] == "paired":
+ mdl_description += f" paired {msa_type}s"
+ elif cf_config["pair_mode"] == "unpaired":
+ mdl_description += f" unpaired {msa_type}s"
+ else:
+ raise ValueError(f"Unknown pair_mode {cf_config['pair_mode']}")
+ else:
+ mdl_description += f" an {msa_type}"
+ if use_mmseqs:
+ mdl_description += f" from MMseqs2 ({'+'.join(seq_dbs)})"
+ else:
+ mdl_description += " without an MSA"
+ mdl_description += "."
+
+ # write selection description
+ slct_description = (
+ "Select best model, which is either the top-ranked model as "
+ + "determined by the ColabFold pipeline (ipTM*0.8+pTM*0.2), or else "
+ + "the model with best congruence with crosslinks reported in the "
+ + "related study."
+ )
+ return {
+ "config": cf_config,
+ "seq_dbs": seq_dbs,
+ "use_mmseqs": use_mmseqs,
+ "use_msa": use_msa,
+ "use_multimer": use_multimer,
+ "multimer_version": multimer_version,
+ "modeling_description": mdl_description,
+ "selection_description": slct_description,
+ }
+
+
+def _get_protocol_steps_and_software(config_data):
+ """Create the list of protocol steps with software and parameters used."""
+ protocol = []
+ # modelling step
+ step = {
+ "method_type": "modeling",
+ "name": None,
+ "details": config_data["modeling_description"],
+ }
+ # get input data
+ # Must refer to data already in the JSON, so we try keywords
+ step["input"] = "target_sequences"
+ # get output data
+ # Must refer to existing data, so we try keywords
+ step["output"] = "model"
+ # get software
+ step["software"] = [
+ {
+ "name": "ColabFold",
+ "classification": "model building",
+ "description": "Structure prediction",
+ "citation": ihm.citations.colabfold,
+ "location": "https://github.com/sokrypton/ColabFold",
+ "type": "package",
+ "version": "1.2.0",
+ }
+ ]
+ if config_data["use_mmseqs"]:
+ step["software"].append(
+ {
+ "name": "MMseqs2",
+ "classification": "data collection",
+ "description": "Many-against-Many sequence searching",
+ "citation": ihm.citations.mmseqs2,
+ "location": "https://github.com/soedinglab/mmseqs2",
+ "type": "package",
+ "version": None,
+ }
+ )
+ if config_data["use_multimer"]:
+ step["software"].append(
+ {
+ "name": "AlphaFold-Multimer",
+ "classification": "model building",
+ "description": "Structure prediction",
+ "citation": ihm.Citation(
+ pmid=None,
+ title="Protein complex prediction with "
+ + "AlphaFold-Multimer.",
+ journal="bioRxiv",
+ volume=None,
+ page_range=None,
+ year=2021,
+ authors=[
+ "Evans, R.",
+ "O'Neill, M.",
+ "Pritzel, A.",
+ "Antropova, N.",
+ "Senior, A.",
+ "Green, T.",
+ "Zidek, A.",
+ "Bates, R.",
+ "Blackwell, S.",
+ "Yim, J.",
+ "Ronneberger, O.",
+ "Bodenstein, S.",
+ "Zielinski, M.",
+ "Bridgland, A.",
+ "Potapenko, A.",
+ "Cowie, A.",
+ "Tunyasuvunakool, K.",
+ "Jain, R.",
+ "Clancy, E.",
+ "Kohli, P.",
+ "Jumper, J.",
+ "Hassabis, D.",
+ ],
+ doi="10.1101/2021.10.04.463034",
+ ),
+ "location": "https://github.com/deepmind/alphafold",
+ "type": "package",
+ "version": None,
+ }
+ )
+ else:
+ step["software"].append(
+ {
+ "name": "AlphaFold",
+ "classification": "model building",
+ "description": "Structure prediction",
+ "citation": ihm.citations.alphafold2,
+ "location": "https://github.com/deepmind/alphafold",
+ "type": "package",
+ "version": None,
+ }
+ )
+ step["software_parameters"] = config_data["config"]
+ protocol.append(step)
+
+ # model selection step
+ if (
+ "selection_description" not in config_data
+ or len(config_data["selection_description"]) == 0
+ ):
+ return protocol
+
+ step = {
+ "method_type": "model selection",
+ "name": None,
+ "details": config_data["selection_description"],
+ }
+ step["input"] = "model"
+ step["output"] = "model"
+ step["software"] = []
+ step["software_parameters"] = {}
+ protocol.append(step)
+ return protocol
+
+
+def _get_title(gene_names):
+ """Get a title for this modelling experiment."""
+ return f"Predicted interaction between {' and '.join(gene_names)}"
+
+
+def _get_model_details(gene_names):
+ """Get the model description."""
+ return (
+ f"Dimer model generated for {' and '.join(gene_names)}, produced "
+ + "using AlphaFold-Multimer (AlphaFold v2.2.0) as implemented by "
+ + "ColabFold (v1.2.0) which uses MMseqs2 for MSA generation (UniRef30 "
+ + "+ Environmental)."
+ )
+
+
+def _get_model_group_name():
+ """Get a name for a model group."""
+ return "Crosslinked Heterodimer AlphaFold-Multimer v2 Models"
+
+
+def _get_sequence(chn):
+ """Get the sequence out of an OST chain."""
+ # initialise
+ lst_rn = chn.residues[0].number.num
+ idx = 1
+ sqe = chn.residues[0].one_letter_code
+ if lst_rn != 1:
+ sqe = "-"
+ idx = 0
+
+ for res in chn.residues[idx:]:
+ lst_rn += 1
+ while lst_rn != res.number.num:
+ sqe += "-"
+ lst_rn += 1
+ sqe += res.one_letter_code
+ return sqe
+
+
+def _check_sequence(up_ac, sequence):
+ """Verify sequence to only contain standard olc."""
+ ns_aa_pos = [] # positions of non-standard amino acids
+ for i, res in enumerate(sequence):
+ if res not in "ACDEFGHIKLMNPQRSTVWY":
+ if res == "U":
+ _warn_msg(
+ f"Selenocysteine found at position {i+1} of entry "
+ + f"'{up_ac}', this residue may be missing in the "
+ + "model."
+ )
+ ns_aa_pos.append(i)
+ continue
+ raise RuntimeError(
+ "Non-standard aa found in UniProtKB sequence "
+ + f"for entry '{up_ac}': {res}, position {i+1}"
+ )
+ return ns_aa_pos
+
+
+def _get_n_parse_up_entry(up_ac, up_url):
+ """Get data for an UniProtKB entry and parse it."""
+ # This is a simple parser for UniProtKB txt format, instead of breaking it
+ # up into multiple functions, we just allow many many branches & statements,
+ # here.
+ # pylint: disable=too-many-branches,too-many-statements
+ data = {}
+ data["up_organism"] = ""
+ data["up_sequence"] = ""
+ data["up_ac"] = up_ac
+ rspns = requests.get(up_url, timeout=180)
+ for line in rspns.iter_lines(decode_unicode=True):
+ if line.startswith("ID "):
+ sline = line.split()
+ if len(sline) != 5:
+ _abort_msg(f"Unusual UniProtKB ID line found:\n'{line}'")
+ data["up_id"] = sline[1]
+ elif line.startswith("OX NCBI_TaxID="):
+ # Following strictly the UniProtKB format: 'OX NCBI_TaxID=<ID>;'
+ data["up_ncbi_taxid"] = line[len("OX NCBI_TaxID=") : -1]
+ data["up_ncbi_taxid"] = data["up_ncbi_taxid"].split("{")[0].strip()
+ elif line.startswith("OS "):
+ if line[-1] == ".":
+ data["up_organism"] += line[len("OS ") : -1]
+ else:
+ data["up_organism"] += line[len("OS ") : -1] + " "
+ elif line.startswith("SQ "):
+ sline = line.split()
+ if len(sline) != 8:
+ _abort_msg(f"Unusual UniProtKB SQ line found:\n'{line}'")
+ data["up_seqlen"] = int(sline[2])
+ data["up_crc64"] = sline[6]
+ elif line.startswith(" "):
+ sline = line.split()
+ if len(sline) > 6:
+ _abort_msg(
+ "Unusual UniProtKB sequence data line "
+ + f"found:\n'{line}'"
+ )
+ data["up_sequence"] += "".join(sline)
+ elif line.startswith("RP "):
+ if "ISOFORM" in line.upper():
+ RuntimeError(
+ f"First ISOFORM found for '{up_ac}', needs " + "handling."
+ )
+ elif line.startswith("DT "):
+ # 2012-10-03
+ dt_flds = line[len("DT ") :].split(", ")
+ if dt_flds[1].upper().startswith("SEQUENCE VERSION "):
+ data["up_last_mod"] = datetime.datetime.strptime(
+ dt_flds[0], "%d-%b-%Y"
+ )
+ elif dt_flds[1].upper().startswith("ENTRY VERSION "):
+ data["up_entry_version"] = dt_flds[1][len("ENTRY VERSION ") :]
+ if data["up_entry_version"][-1] == ".":
+ data["up_entry_version"] = data["up_entry_version"][:-1]
+ data["up_entry_version"] = int(data["up_entry_version"])
+ elif line.startswith("GN Name="):
+ data["up_gn"] = line[len("GN Name=") :].split(";")[0]
+ data["up_gn"] = data["up_gn"].split("{")[0].strip()
+
+ # we have not seen isoforms in the data set, yet, so we just set them to '.'
+ data["up_isoform"] = None
+
+ if "up_gn" not in data:
+ _warn_msg(
+ f"No gene name found for UniProtKB entry '{up_ac}', using "
+ + "UniProtKB AC instead."
+ )
+ data["up_gn"] = up_ac
+ if "up_last_mod" not in data:
+ _abort_msg(f"No sequence version found for UniProtKB entry '{up_ac}'.")
+ if "up_crc64" not in data:
+ _abort_msg(f"No CRC64 value found for UniProtKB entry '{up_ac}'.")
+ if len(data["up_sequence"]) == 0:
+ _abort_msg(f"No sequence found for UniProtKB entry '{up_ac}'.")
+ # check that sequence length and CRC64 is correct
+ if data["up_seqlen"] != len(data["up_sequence"]):
+ _abort_msg(
+ "Sequence length of SQ line and sequence data differ for "
+ + f"UniProtKB entry '{up_ac}': {data['up_seqlen']} != "
+ + f"{len(data['up_sequence'])}"
+ )
+ data["up_ns_aa"] = _check_sequence(data["up_ac"], data["up_sequence"])
+
+ if "up_id" not in data:
+ _abort_msg(f"No ID found for UniProtKB entry '{up_ac}'.")
+ if "up_ncbi_taxid" not in data:
+ _abort_msg(f"No NCBI taxonomy ID found for UniProtKB entry '{up_ac}'.")
+ if len(data["up_organism"]) == 0:
+ _abort_msg(f"No organism species found for UniProtKB entry '{up_ac}'.")
+ return data
+
+
+def _fetch_upkb_entry(up_ac):
+ """Get an UniProtKB entry."""
+ return _get_n_parse_up_entry(
+ up_ac, f"https://rest.uniprot.org/uniprotkb/{up_ac}.txt"
+ )
+
+
+def _fetch_unisave_entry(up_ac, version):
+ """Get an UniSave entry, in contrast to an UniProtKB entry, that allows us
+ to specify a version."""
+ return _get_n_parse_up_entry(
+ up_ac,
+ f"https://rest.uniprot.org/unisave/{up_ac}?format=txt&"
+ + f"versions={version}",
+ )
+
+
+def _cmp_sequences(mdl, upkb, ns_aa_pos):
+ """Compare sequence while paying attention on non-standard amino acids."""
+ # We add a U to the sequence when necessary. AF2 does not model it. The PDB
+ # has selenocysteine as canonical aa, see PDB entry 7Z0T.
+ for pos in ns_aa_pos:
+ if mdl[pos] != "-":
+ _abort_msg(
+ f"Position {pos+1} of non-canonical amino acid should be "
+ "a gap!"
+ )
+ mdl = mdl[0:pos] + "U" + mdl[pos + 1 :]
+ return mdl == upkb
+
+
+def _get_upkb_for_sequence(sqe, up_ac):
+ """Get UniProtKB entry data for given sequence."""
+ up_data = _fetch_upkb_entry(up_ac)
+ while not _cmp_sequences(sqe, up_data["up_sequence"], up_data["up_ns_aa"]):
+ if up_data["up_entry_version"] > 1:
+ up_data = _fetch_unisave_entry(
+ up_ac, up_data["up_entry_version"] - 1
+ )
+ else:
+ raise RuntimeError(
+ f"Sequences not equal from file: {sqe}, from UniProtKB: "
+ f"{up_data['up_sequence']} ({up_ac}), checked entire entry "
+ "history."
+ )
+ return up_data
+
+
+def _get_entities(pdb_file, up_acs):
+ """Gather data for the mmCIF (target) entities."""
+ entities = []
+ ost_ent = io.LoadPDB(pdb_file)
+ already_seen = []
+ for i, chn in enumerate(ost_ent.chains):
+ cif_ent = {}
+ sqe = _get_sequence(chn)
+ try:
+ e_idx = already_seen.index(up_acs[i])
+ except ValueError:
+ pass
+ else:
+ if sqe != entities[e_idx]["pdb_sequence"]:
+ _abort_msg(
+ "Sequences are different for two chains of the same "
+ "UniProtKB AC. This case is not implemented, yet."
+ )
+ entities[e_idx]["pdb_chain_id"].append(chn.name)
+ continue
+ already_seen.append(up_acs[i])
+ upkb = _get_upkb_for_sequence(sqe, up_acs[i])
+ cif_ent["pdb_sequence"] = sqe
+ cif_ent["pdb_chain_id"] = [chn.name]
+ cif_ent["description"] = (
+ f"{upkb['up_organism']} {upkb['up_gn']} " f"({upkb['up_ac']})"
+ )
+ cif_ent.update(upkb)
+ entities.append(cif_ent)
+ return entities, ost_ent
+
+
+def _get_scores(data, prfx):
+ """Check that all files needed to process this model are present."""
+ scrs_fle = f"{prfx}_scores.json"
+ with open(scrs_fle, encoding="utf8") as jfh:
+ scrs_json = json.load(jfh)
+
+ # NOTE for reuse of data when iterating multiple models: this will overwrite
+ # scores in data but will not delete any scores if prev. models had more...
+ data.update(scrs_json)
+
+
+def _get_modelcif_entities(target_ents, source, asym_units, system):
+ """Create ModelCIF entities and asymmetric units."""
+ for cif_ent in target_ents:
+ mdlcif_ent = modelcif.Entity(
+ # Use up_sequence above pdb_sequence as it contains no gaps but
+ # otherwise is equal to the pdb_sequence. Gaps in pdb_sequence
+ # originate from missing residues in the model.
+ cif_ent["up_sequence"],
+ description=cif_ent["description"],
+ source=source,
+ references=[
+ modelcif.reference.UniProt(
+ cif_ent["up_id"],
+ cif_ent["up_ac"],
+ # Careful: alignments are just that easy because of equal
+ # sequences!
+ align_begin=1,
+ align_end=cif_ent["up_seqlen"],
+ isoform=cif_ent["up_isoform"],
+ ncbi_taxonomy_id=cif_ent["up_ncbi_taxid"],
+ organism_scientific=cif_ent["up_organism"],
+ sequence_version_date=cif_ent["up_last_mod"],
+ sequence_crc64=cif_ent["up_crc64"],
+ )
+ ],
+ )
+ for pdb_chain_id in cif_ent["pdb_chain_id"]:
+ asym_units[pdb_chain_id] = modelcif.AsymUnit(mdlcif_ent)
+ system.target_entities.append(mdlcif_ent)
+
+
+def _assemble_modelcif_software(soft_dict):
+ """Create a modelcif.Software instance from dictionary."""
+ return modelcif.Software(
+ soft_dict["name"],
+ soft_dict["classification"],
+ soft_dict["description"],
+ soft_dict["location"],
+ soft_dict["type"],
+ soft_dict["version"],
+ citation=soft_dict["citation"],
+ )
+
+
+def _get_sequence_dbs(seq_dbs):
+ """Get ColabFold seq. DBs."""
+ # NOTE: hard coded for ColabFold versions before 2022/07/13
+ # -> afterwards UniRef30 updated to 2022_02 (and maybe more changes)
+ db_dict = {
+ "UniRef": modelcif.ReferenceDatabase(
+ "UniRef30",
+ "http://wwwuser.gwdg.de/~compbiol/colabfold/uniref30_2103.tar.gz",
+ version="2021_03",
+ ),
+ "Environmental": modelcif.ReferenceDatabase(
+ "ColabFold DB",
+ "http://wwwuser.gwdg.de/~compbiol/colabfold/"
+ + "colabfold_envdb_202108.tar.gz",
+ version="2021_08",
+ ),
+ }
+ return [db_dict[seq_db] for seq_db in seq_dbs]
+
+
+def _get_modelcif_protocol_software(js_step):
+ """Assemble software entries for a ModelCIF protocol step."""
+ if js_step["software"]:
+ if len(js_step["software"]) == 1:
+ sftwre = _assemble_modelcif_software(js_step["software"][0])
+ else:
+ sftwre = []
+ for sft in js_step["software"]:
+ sftwre.append(_assemble_modelcif_software(sft))
+ sftwre = modelcif.SoftwareGroup(elements=sftwre)
+ if js_step["software_parameters"]:
+ params = []
+ for key, val in js_step["software_parameters"].items():
+ params.append(modelcif.SoftwareParameter(key, val))
+ if isinstance(sftwre, modelcif.SoftwareGroup):
+ sftwre.parameters = params
+ else:
+ sftwre = modelcif.SoftwareGroup(
+ elements=(sftwre,), parameters=params
+ )
+ return sftwre
+ return None
+
+
+def _get_modelcif_protocol_input(js_step, target_entities, ref_dbs, model):
+ """Assemble input data for a ModelCIF protocol step."""
+ if js_step["input"] == "target_sequences":
+ input_data = modelcif.data.DataGroup(target_entities)
+ input_data.extend(ref_dbs)
+ elif js_step["input"] == "model":
+ input_data = model
+ else:
+ raise RuntimeError(f"Unknown protocol input: '{js_step['input']}'")
+ return input_data
+
+
+def _get_modelcif_protocol_output(js_step, model):
+ """Assemble output data for a ModelCIF protocol step."""
+ if js_step["output"] == "model":
+ output_data = model
+ else:
+ raise RuntimeError(f"Unknown protocol output: '{js_step['output']}'")
+ return output_data
+
+
+def _get_modelcif_protocol(protocol_steps, target_entities, model, ref_dbs):
+ """Create the protocol for the ModelCIF file."""
+ protocol = modelcif.protocol.Protocol()
+ for js_step in protocol_steps:
+ sftwre = _get_modelcif_protocol_software(js_step)
+ input_data = _get_modelcif_protocol_input(
+ js_step, target_entities, ref_dbs, model
+ )
+ output_data = _get_modelcif_protocol_output(js_step, model)
+
+ protocol.steps.append(
+ modelcif.protocol.Step(
+ input_data=input_data,
+ output_data=output_data,
+ name=js_step["name"],
+ details=js_step["details"],
+ software=sftwre,
+ )
+ )
+ protocol.steps[-1].method_type = js_step["method_type"]
+ return protocol
+
+
+def _compress_cif_file(cif_file):
+ """Compress cif file and delete original."""
+ with open(cif_file, "rb") as f_in:
+ with gzip.open(cif_file + ".gz", "wb") as f_out:
+ shutil.copyfileobj(f_in, f_out)
+ os.remove(cif_file)
+
+
+def _package_associated_files(repo):
+ """Compress associated files into single zip file and delete original."""
+ # zip settings tested for good speed vs compression
+ for archive in repo.files:
+ with zipfile.ZipFile(archive.path, "w", zipfile.ZIP_BZIP2) as cif_zip:
+ for zfile in archive.files:
+ cif_zip.write(zfile.path, arcname=zfile.path)
+ os.remove(zfile.path)
+
+
+def _store_as_modelcif(
+ data_json, ost_ent, out_dir, file_prfx, compress, add_files
+):
+ """Mix all the data into a ModelCIF file."""
+ print(" generating ModelCIF objects...", end="")
+ pstart = timer()
+ # create system to gather all the data
+ system = modelcif.System(
+ title=data_json["title"],
+ id=data_json["data_block_id"].upper(),
+ model_details=data_json["model_details"],
+ )
+
+ # create target entities, references, source, asymmetric units & assembly
+ # for source we assume all chains come from the same taxon
+ # create an asymmetric unit and an entity per target sequence
+ asym_units = {}
+ _get_modelcif_entities(
+ data_json["target_entities"],
+ ihm.source.Natural(
+ ncbi_taxonomy_id=data_json["target_entities"][0]["up_ncbi_taxid"],
+ scientific_name=data_json["target_entities"][0]["up_organism"],
+ ),
+ asym_units,
+ system,
+ )
+
+ # audit_authors
+ system.authors.extend(data_json["audit_authors"])
+
+ # set up the model to produce coordinates
+ if data_json["rank_num"] == 1:
+ mdl_list_name = f"Model {data_json['mdl_num']} (top ranked model)"
+ else:
+ mdl_list_name = (
+ f"Model {data_json['mdl_num']} "
+ f"(#{data_json['rank_num']} ranked model)"
+ )
+ model = _OST2ModelCIF(
+ assembly=modelcif.Assembly(asym_units.values()),
+ asym=asym_units,
+ ost_entity=ost_ent,
+ name=mdl_list_name,
+ )
+ print(f" ({timer()-pstart:.2f}s)")
+ print(" processing QA scores...", end="", flush=True)
+ pstart = timer()
+ mdl_name = os.path.basename(file_prfx)
+ system.repositories.append(
+ model.add_scores(data_json, system.id, mdl_name, add_files)
+ )
+ print(f" ({timer()-pstart:.2f}s)")
+
+ system.model_groups.append(
+ modelcif.model.ModelGroup([model], name=data_json["model_group_name"])
+ )
+
+ system.protocols.append(
+ _get_modelcif_protocol(
+ data_json["protocol"],
+ system.target_entities,
+ model,
+ _get_sequence_dbs(data_json["config_data"]["seq_dbs"]),
+ )
+ )
+
+ # write modelcif System to file
+ print(" write to disk...", end="", flush=True)
+ pstart = timer()
+ # NOTE: this will dump PAE on path provided in add_scores
+ # -> hence we cheat by changing path and back while being exception-safe...
+ oldpwd = os.getcwd()
+ os.chdir(out_dir)
+ mdl_fle = f"{mdl_name}.cif"
+ try:
+ with open(mdl_fle, "w", encoding="ascii") as mmcif_fh:
+ modelcif.dumper.write(mmcif_fh, [system])
+ _package_associated_files(system.repositories[0])
+ if compress:
+ _compress_cif_file(mdl_fle)
+ finally:
+ os.chdir(oldpwd)
+ print(f" ({timer()-pstart:.2f}s)")
+
+ mdl_fle = _get_assoc_mdl_file(mdl_fle, data_json)
+ zip_fle = _get_assoc_zip_file(
+ system.repositories[0].files[0].path, data_json
+ )
+ return mdl_fle, zip_fle
+
+
+def _get_assoc_mdl_file(fle_path, data_json):
+ """Generate a modelcif.associated.File object that looks like a CIF file.
+ The dedicated CIFFile functionality in modelcif would also try to write it.
+ """
+ cfile = modelcif.associated.File(
+ fle_path,
+ details=f"model {data_json['mdl_num']}; rank {data_json['rank_num']}",
+ )
+ cfile.file_format = "cif"
+ return cfile
+
+
+def _get_assoc_zip_file(fle_path, data_json):
+ """Create a modelcif.associated.File object that looks like a ZIP file.
+ This is NOT the archive ZIP file for the PAEs but to store that in the
+ ZIP archive of the selected model."""
+ zfile = modelcif.associated.File(
+ fle_path,
+ details="archive with multiple files for model "
+ + f"{data_json['mdl_num']}; rank {data_json['rank_num']}",
+ )
+ zfile.file_format = "other"
+ return zfile
+
+
+def _create_interaction_json(config_data):
+ """Create a dictionary (mimicking JSON) that contains data which is the same
+ for all models."""
+ data = {}
+ data["audit_authors"] = _get_audit_authors()
+ data["protocol"] = _get_protocol_steps_and_software(config_data)
+ data["config_data"] = config_data
+ return data
+
+
+def _create_model_json(data, pdb_file, up_acs, block_id):
+ """Create a dictionary (mimicking JSON) that contains all the data."""
+ data["target_entities"], ost_ent = _get_entities(pdb_file, up_acs)
+ gns = []
+ for i in data["target_entities"]:
+ gns.append(i["up_gn"])
+ data["title"] = _get_title(gns)
+ data["data_block_id"] = block_id
+ data["model_details"] = _get_model_details(gns)
+ data["model_group_name"] = _get_model_group_name()
+ return ost_ent
+
+
+def _translate2modelcif(up_acs, pdb_fle, config_data, opts, add_files):
+ """Convert a PDB file with its accompanying data to ModelCIF."""
+ pdb_start = timer()
+ file_prfx, uid = _check_model_extra_files_present(opts.model_dir, pdb_fle)
+ pdb_fle = os.path.join(opts.model_dir, pdb_fle)
+
+ # gather data into JSON-like structure
+ print(" preparing data...", end="")
+ pstart = timer()
+
+ mdlcf_json = _create_interaction_json(config_data)
+
+ # uid = ..._rank_X_model_Y.pdb
+ mdl_name_parts = uid.split("_")
+ assert mdl_name_parts[-4] == "rank"
+ assert mdl_name_parts[-2] == "model"
+ mdlcf_json["rank_num"] = int(mdl_name_parts[-3])
+ mdlcf_json["mdl_num"] = int(mdl_name_parts[-1])
+
+ ost_ent = _create_model_json(mdlcf_json, pdb_fle, up_acs, uid)
+
+ # read quality scores from JSON file
+ _get_scores(mdlcf_json, file_prfx)
+ print(f" ({timer()-pstart:.2f}s)")
+ mdlcf_fle, zip_fle = _store_as_modelcif(
+ mdlcf_json,
+ ost_ent,
+ opts.out_dir,
+ file_prfx,
+ opts.compress,
+ add_files,
+ )
+ return pdb_start, pdb_fle, mdlcf_fle, zip_fle
+
+
+def _main():
+ """Run as script."""
+ opts = _parse_args()
+
+ interaction = os.path.split(opts.model_dir)[-1]
+ print(f"Working on {interaction}...")
+
+ # get UniProtKB ACs from directory name
+ up_acs = interaction.split("-")
+
+ cnfg = _check_interaction_extra_files_present(opts.model_dir)
+ config_data = _parse_colabfold_config(cnfg)
+
+ # iterate model directory
+ # There is 1 representative for a modelling project, the other models are
+ # stored in its ZIP archive.
+ not_slctd_mdls = []
+ slctd_mdl = None
+ for fle in sorted(os.listdir(opts.model_dir)):
+ # iterate PDB files
+ if not fle.endswith(".pdb"):
+ continue
+ if (
+ opts.selected_rank is not None
+ and f"rank_{opts.selected_rank}" in fle
+ ):
+ slctd_mdl = fle
+ continue
+ print(f" translating {fle}...")
+ pdb_start, fle, mdlcf_fle, zip_fle = _translate2modelcif(
+ up_acs,
+ fle,
+ config_data,
+ opts,
+ None,
+ )
+ print(f" ... done with {fle} ({timer()-pdb_start:.2f}s).")
+ not_slctd_mdls.append(mdlcf_fle)
+ not_slctd_mdls.append(zip_fle)
+ if opts.selected_rank:
+ if slctd_mdl is None:
+ _abort_msg(
+ f"Could not find model of requested rank '{opts.selected_rank}'"
+ )
+ print(
+ f" translating selected model {opts.selected_rank} "
+ + f"({slctd_mdl})..."
+ )
+ _translate2modelcif(
+ up_acs,
+ slctd_mdl,
+ config_data,
+ opts,
+ not_slctd_mdls,
+ )
+ print(f" ... done with {slctd_mdl} ({timer()-pdb_start:.2f}s).")
+
+ print(f"... done with {opts.model_dir}.")
+
+
+if __name__ == "__main__":
+ _main()
+
+# LocalWords: aa pdb