diff --git a/modelling/tests/CMakeLists.txt b/modelling/tests/CMakeLists.txt
index 4912af1709a2a8b98223b68a465be0c36a6f842f..31b2db2f990ce22f73b898023d10128afaa63dff 100644
--- a/modelling/tests/CMakeLists.txt
+++ b/modelling/tests/CMakeLists.txt
@@ -14,6 +14,7 @@ set(MODELLING_TEST_DATA
data/1crn_rec.pdb
data/1crn_sc.pdb
data/1ITX-A-11_sidechain.pdb
+ data/1K5C-A-16_clash.pdb
data/1mcg.pdb
data/2aoh-1_cut.pdb
data/2aoh-1_cut_A.fasta
diff --git a/modelling/tests/data/1K5C-A-16_clash.pdb b/modelling/tests/data/1K5C-A-16_clash.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..4cf56a282caa36eaa5ccdda9968f197d18489314
--- /dev/null
+++ b/modelling/tests/data/1K5C-A-16_clash.pdb
@@ -0,0 +1,1599 @@
+ATOM 1 N ALA A 41 10.147 -11.441 -22.536 1.00 3.48 N
+ATOM 2 CA ALA A 41 9.326 -12.608 -22.089 1.00 3.19 C
+ATOM 3 C ALA A 41 7.889 -12.497 -22.564 1.00 3.22 C
+ATOM 4 O ALA A 41 7.353 -11.396 -22.620 1.00 3.06 O
+ATOM 5 CB ALA A 41 9.380 -12.689 -20.544 1.00 3.17 C
+ATOM 6 N THR A 42 7.244 -13.621 -22.931 1.00 2.88 N
+ATOM 7 CA THR A 42 5.848 -13.620 -23.358 1.00 2.92 C
+ATOM 8 C THR A 42 5.167 -14.709 -22.579 1.00 3.27 C
+ATOM 9 O THR A 42 5.616 -15.851 -22.590 1.00 3.46 O
+ATOM 10 CB THR A 42 5.634 -13.867 -24.849 1.00 3.00 C
+ATOM 11 OG1 THR A 42 6.170 -12.783 -25.598 1.00 0.00 O
+ATOM 12 CG2 THR A 42 4.143 -13.939 -25.218 1.00 0.00 C
+ATOM 13 N VAL A 43 4.088 -14.375 -21.851 1.00 3.19 N
+ATOM 14 CA VAL A 43 3.355 -15.315 -21.025 1.00 3.76 C
+ATOM 15 C VAL A 43 1.962 -15.455 -21.580 1.00 3.99 C
+ATOM 16 O VAL A 43 1.161 -14.521 -21.552 1.00 4.47 O
+ATOM 17 CB VAL A 43 3.275 -14.879 -19.564 1.00 3.58 C
+ATOM 18 CG1 VAL A 43 2.408 -15.842 -18.720 1.00 0.00 C
+ATOM 19 CG2 VAL A 43 4.708 -14.829 -19.002 1.00 0.00 C
+ATOM 20 N THR A 44 1.648 -16.662 -22.083 1.00 3.51 N
+ATOM 21 CA THR A 44 0.314 -17.041 -22.523 1.00 3.42 C
+ATOM 22 C THR A 44 -0.408 -17.625 -21.339 1.00 3.14 C
+ATOM 23 O THR A 44 -0.158 -18.759 -20.934 1.00 2.70 O
+ATOM 24 CB THR A 44 0.320 -18.088 -23.630 1.00 3.63 C
+ATOM 25 OG1 THR A 44 1.022 -17.582 -24.755 1.00 0.00 O
+ATOM 26 CG2 THR A 44 -1.102 -18.421 -24.113 1.00 0.00 C
+ATOM 27 N MET A 45 -1.318 -16.855 -20.715 1.00 2.85 N
+ATOM 28 CA MET A 45 -2.103 -17.339 -19.596 1.00 2.59 C
+ATOM 29 C MET A 45 -3.209 -18.269 -20.087 1.00 2.90 C
+ATOM 30 O MET A 45 -3.934 -17.953 -21.027 1.00 3.08 O
+ATOM 31 CB MET A 45 -2.689 -16.167 -18.776 1.00 2.39 C
+ATOM 32 CG MET A 45 -3.503 -16.554 -17.520 1.00 0.00 C
+ATOM 33 SD MET A 45 -2.595 -17.532 -16.282 1.00 0.00 S
+ATOM 34 CE MET A 45 -1.571 -16.160 -15.674 1.00 0.00 C
+ATOM 35 N ALA A 46 -3.327 -19.463 -19.478 1.00 3.13 N
+ATOM 36 CA ALA A 46 -4.230 -20.502 -19.940 1.00 3.27 C
+ATOM 37 C ALA A 46 -5.155 -21.016 -18.850 1.00 3.64 C
+ATOM 38 O ALA A 46 -5.723 -22.097 -18.973 1.00 3.42 O
+ATOM 39 CB ALA A 46 -3.430 -21.678 -20.541 1.00 3.30 C
+ATOM 40 N GLY A 47 -5.348 -20.261 -17.745 1.00 4.20 N
+ATOM 41 CA GLY A 47 -6.327 -20.634 -16.725 1.00 4.81 C
+ATOM 42 C GLY A 47 -7.735 -20.213 -17.057 1.00 5.15 C
+ATOM 43 O GLY A 47 -7.962 -19.073 -17.437 1.00 5.02 O
+ATOM 44 N ASP A 48 -8.722 -21.106 -16.857 1.00 5.52 N
+ATOM 45 CA ASP A 48 -10.129 -20.768 -16.923 1.00 6.23 C
+ATOM 46 C ASP A 48 -10.651 -20.875 -15.495 1.00 5.60 C
+ATOM 47 O ASP A 48 -10.509 -21.905 -14.830 1.00 5.62 O
+ATOM 48 CB ASP A 48 -10.879 -21.718 -17.909 1.00 6.05 C
+ATOM 49 CG ASP A 48 -12.318 -21.286 -18.162 1.00 0.00 C
+ATOM 50 OD1 ASP A 48 -12.679 -20.164 -17.729 1.00 0.00 O
+ATOM 51 OD2 ASP A 48 -13.061 -22.090 -18.782 1.00 0.00 O
+ATOM 52 N ILE A 49 -11.212 -19.772 -14.969 1.00 5.16 N
+ATOM 53 CA ILE A 49 -11.698 -19.700 -13.607 1.00 4.83 C
+ATOM 54 C ILE A 49 -13.209 -19.594 -13.617 1.00 4.63 C
+ATOM 55 O ILE A 49 -13.822 -18.720 -14.224 1.00 4.84 O
+ATOM 56 CB ILE A 49 -11.087 -18.523 -12.843 1.00 4.34 C
+ATOM 57 CG1 ILE A 49 -9.576 -18.730 -12.608 1.00 0.00 C
+ATOM 58 CG2 ILE A 49 -11.888 -18.165 -11.561 1.00 0.00 C
+ATOM 59 CD1 ILE A 49 -9.253 -19.881 -11.664 1.00 0.00 C
+ATOM 60 N THR A 50 -13.890 -20.476 -12.869 1.00 4.77 N
+ATOM 61 CA THR A 50 -15.339 -20.391 -12.748 1.00 5.06 C
+ATOM 62 C THR A 50 -15.737 -19.285 -11.787 1.00 4.81 C
+ATOM 63 O THR A 50 -15.595 -19.406 -10.570 1.00 4.58 O
+ATOM 64 CB THR A 50 -15.981 -21.686 -12.276 1.00 5.14 C
+ATOM 65 OG1 THR A 50 -15.492 -22.771 -13.050 1.00 0.00 O
+ATOM 66 CG2 THR A 50 -17.501 -21.640 -12.482 1.00 0.00 C
+ATOM 67 N PHE A 51 -16.229 -18.143 -12.312 1.00 4.58 N
+ATOM 68 CA PHE A 51 -16.748 -17.042 -11.517 1.00 4.56 C
+ATOM 69 C PHE A 51 -17.968 -17.408 -10.671 1.00 4.80 C
+ATOM 70 O PHE A 51 -18.798 -18.234 -11.044 1.00 4.86 O
+ATOM 71 CB PHE A 51 -17.004 -15.758 -12.358 1.00 4.69 C
+ATOM 72 CG PHE A 51 -18.113 -15.927 -13.359 1.00 0.00 C
+ATOM 73 CD1 PHE A 51 -19.437 -15.625 -12.999 1.00 0.00 C
+ATOM 74 CD2 PHE A 51 -17.848 -16.399 -14.654 1.00 0.00 C
+ATOM 75 CE1 PHE A 51 -20.485 -15.817 -13.906 1.00 0.00 C
+ATOM 76 CE2 PHE A 51 -18.895 -16.590 -15.566 1.00 0.00 C
+ATOM 77 CZ PHE A 51 -20.214 -16.303 -15.191 1.00 0.00 C
+ATOM 78 N ALA A 52 -18.089 -16.798 -9.480 1.00 0.00 N
+ATOM 79 CA ALA A 52 -19.145 -17.130 -8.560 1.00 0.00 C
+ATOM 80 C ALA A 52 -19.224 -16.055 -7.491 1.00 0.00 C
+ATOM 81 O ALA A 52 -18.468 -15.087 -7.511 1.00 0.00 O
+ATOM 82 CB ALA A 52 -18.919 -18.523 -7.925 1.00 0.00 C
+ATOM 83 N LYS A 53 -20.140 -16.232 -6.511 1.00 0.00 N
+ATOM 84 CA LYS A 53 -20.271 -15.425 -5.299 1.00 0.00 C
+ATOM 85 C LYS A 53 -19.101 -15.585 -4.326 1.00 0.00 C
+ATOM 86 O LYS A 53 -18.996 -14.878 -3.328 1.00 0.00 O
+ATOM 87 CB LYS A 53 -21.517 -15.865 -4.489 1.00 0.00 C
+ATOM 88 CG LYS A 53 -22.869 -15.548 -5.139 1.00 0.00 C
+ATOM 89 CD LYS A 53 -24.033 -15.956 -4.216 1.00 0.00 C
+ATOM 90 CE LYS A 53 -25.416 -15.527 -4.723 1.00 0.00 C
+ATOM 91 NZ LYS A 53 -26.461 -15.954 -3.763 1.00 0.00 N
+ATOM 92 N THR A 54 -18.228 -16.577 -4.595 1.00 0.00 N
+ATOM 93 CA THR A 54 -17.052 -16.965 -3.843 1.00 0.00 C
+ATOM 94 C THR A 54 -16.144 -15.791 -3.519 1.00 0.00 C
+ATOM 95 O THR A 54 -15.998 -14.859 -4.307 1.00 0.00 O
+ATOM 96 CB THR A 54 -16.292 -18.035 -4.619 1.00 0.00 C
+ATOM 97 OG1 THR A 54 -15.179 -18.569 -3.892 1.00 0.00 O
+ATOM 98 CG2 THR A 54 -15.717 -17.524 -5.939 1.00 0.00 C
+ATOM 99 N THR A 55 -15.482 -15.823 -2.343 1.00 0.00 N
+ATOM 100 CA THR A 55 -14.421 -14.884 -2.036 1.00 0.00 C
+ATOM 101 C THR A 55 -13.176 -15.302 -2.768 1.00 0.00 C
+ATOM 102 O THR A 55 -13.193 -16.242 -3.558 1.00 0.00 O
+ATOM 103 CB THR A 55 -14.125 -14.701 -0.563 1.00 0.00 C
+ATOM 104 OG1 THR A 55 -13.830 -15.957 0.032 1.00 0.00 O
+ATOM 105 CG2 THR A 55 -15.393 -14.117 0.080 1.00 0.00 C
+ATOM 106 N LEU A 56 -12.076 -14.573 -2.568 1.00 0.00 N
+ATOM 107 CA LEU A 56 -10.968 -14.636 -3.493 1.00 0.00 C
+ATOM 108 C LEU A 56 -9.687 -15.191 -2.880 1.00 0.00 C
+ATOM 109 O LEU A 56 -9.243 -14.686 -1.852 1.00 0.00 O
+ATOM 110 CB LEU A 56 -10.848 -13.183 -4.019 1.00 0.00 C
+ATOM 111 CG LEU A 56 -9.674 -12.835 -4.930 1.00 0.00 C
+ATOM 112 CD1 LEU A 56 -10.103 -12.644 -6.399 1.00 0.00 C
+ATOM 113 CD2 LEU A 56 -9.059 -11.566 -4.430 1.00 0.00 C
+ATOM 114 N ASP A 57 -9.094 -16.238 -3.537 1.00 0.00 N
+ATOM 115 CA ASP A 57 -8.120 -17.168 -2.958 1.00 0.00 C
+ATOM 116 C ASP A 57 -6.707 -17.424 -3.577 1.00 0.00 C
+ATOM 117 O ASP A 57 -5.944 -18.155 -2.953 1.00 0.00 O
+ATOM 118 CB ASP A 57 -8.813 -18.554 -2.971 1.00 0.00 C
+ATOM 119 CG ASP A 57 -10.178 -18.563 -2.288 1.00 0.00 C
+ATOM 120 OD1 ASP A 57 -10.385 -17.843 -1.275 1.00 0.00 O
+ATOM 121 OD2 ASP A 57 -11.029 -19.345 -2.786 1.00 0.00 O
+ATOM 122 N GLY A 58 -6.271 -16.872 -4.753 1.00 0.00 N
+ATOM 123 CA GLY A 58 -4.874 -17.004 -5.266 1.00 0.00 C
+ATOM 124 C GLY A 58 -3.863 -15.980 -4.738 1.00 0.00 C
+ATOM 125 O GLY A 58 -3.783 -15.767 -3.533 1.00 0.00 O
+ATOM 126 N PRO A 59 -3.104 -15.298 -5.637 1.00 0.00 N
+ATOM 127 CA PRO A 59 -2.578 -13.972 -5.256 1.00 0.00 C
+ATOM 128 C PRO A 59 -2.299 -13.038 -6.447 1.00 0.00 C
+ATOM 129 O PRO A 59 -2.514 -13.404 -7.602 1.00 0.00 O
+ATOM 130 CB PRO A 59 -1.244 -14.334 -4.615 1.00 0.00 C
+ATOM 131 CG PRO A 59 -0.715 -15.447 -5.548 1.00 0.00 C
+ATOM 132 CD PRO A 59 -1.982 -16.088 -6.178 1.00 0.00 C
+ATOM 133 N LEU A 60 -1.896 -11.773 -6.163 1.00 4.53 N
+ATOM 134 CA LEU A 60 -1.387 -10.783 -7.113 1.00 5.05 C
+ATOM 135 C LEU A 60 -0.098 -11.178 -7.834 1.00 5.35 C
+ATOM 136 O LEU A 60 0.855 -11.676 -7.235 1.00 5.50 O
+ATOM 137 CB LEU A 60 -1.178 -9.429 -6.364 1.00 5.15 C
+ATOM 138 CG LEU A 60 -0.350 -8.295 -7.022 1.00 0.00 C
+ATOM 139 CD1 LEU A 60 -1.070 -7.688 -8.219 1.00 0.00 C
+ATOM 140 CD2 LEU A 60 -0.144 -7.180 -5.985 1.00 0.00 C
+ATOM 141 N PHE A 61 -0.021 -10.912 -9.158 1.00 5.36 N
+ATOM 142 CA PHE A 61 1.183 -11.125 -9.941 1.00 5.44 C
+ATOM 143 C PHE A 61 2.000 -9.840 -10.057 1.00 5.89 C
+ATOM 144 O PHE A 61 1.554 -8.840 -10.616 1.00 5.80 O
+ATOM 145 CB PHE A 61 0.836 -11.606 -11.373 1.00 5.31 C
+ATOM 146 CG PHE A 61 0.223 -12.979 -11.354 1.00 0.00 C
+ATOM 147 CD1 PHE A 61 -1.167 -13.149 -11.467 1.00 0.00 C
+ATOM 148 CD2 PHE A 61 1.040 -14.117 -11.253 1.00 0.00 C
+ATOM 149 CE1 PHE A 61 -1.732 -14.431 -11.470 1.00 0.00 C
+ATOM 150 CE2 PHE A 61 0.479 -15.402 -11.258 1.00 0.00 C
+ATOM 151 CZ PHE A 61 -0.909 -15.559 -11.362 1.00 0.00 C
+ATOM 152 N THR A 62 3.245 -9.843 -9.544 1.00 6.05 N
+ATOM 153 CA THR A 62 4.097 -8.654 -9.454 1.00 7.00 C
+ATOM 154 C THR A 62 5.231 -8.711 -10.450 1.00 6.28 C
+ATOM 155 O THR A 62 5.954 -9.700 -10.541 1.00 6.19 O
+ATOM 156 CB THR A 62 4.734 -8.496 -8.076 1.00 7.67 C
+ATOM 157 OG1 THR A 62 3.716 -8.277 -7.114 1.00 0.00 O
+ATOM 158 CG2 THR A 62 5.673 -7.281 -7.979 1.00 0.00 C
+ATOM 159 N ILE A 63 5.426 -7.619 -11.218 1.00 5.67 N
+ATOM 160 CA ILE A 63 6.501 -7.471 -12.183 1.00 5.63 C
+ATOM 161 C ILE A 63 7.419 -6.322 -11.824 1.00 5.34 C
+ATOM 162 O ILE A 63 7.007 -5.161 -11.849 1.00 5.10 O
+ATOM 163 CB ILE A 63 5.952 -7.198 -13.588 1.00 5.86 C
+ATOM 164 CG1 ILE A 63 5.130 -8.399 -14.107 1.00 0.00 C
+ATOM 165 CG2 ILE A 63 7.090 -6.860 -14.579 1.00 0.00 C
+ATOM 166 CD1 ILE A 63 5.942 -9.698 -14.162 1.00 0.00 C
+ATOM 167 N ASP A 64 8.704 -6.648 -11.576 1.00 0.00 N
+ATOM 168 CA ASP A 64 9.805 -5.710 -11.520 1.00 0.00 C
+ATOM 169 C ASP A 64 10.752 -6.200 -12.621 1.00 0.00 C
+ATOM 170 O ASP A 64 11.488 -7.180 -12.476 1.00 0.00 O
+ATOM 171 CB ASP A 64 10.397 -5.757 -10.080 1.00 0.00 C
+ATOM 172 CG ASP A 64 11.420 -4.669 -9.781 1.00 0.00 C
+ATOM 173 OD1 ASP A 64 11.827 -3.935 -10.714 1.00 0.00 O
+ATOM 174 OD2 ASP A 64 11.809 -4.572 -8.588 1.00 0.00 O
+ATOM 175 N GLY A 65 10.659 -5.584 -13.825 1.00 4.19 N
+ATOM 176 CA GLY A 65 11.338 -6.127 -14.998 1.00 4.28 C
+ATOM 177 C GLY A 65 10.748 -5.644 -16.299 1.00 4.46 C
+ATOM 178 O GLY A 65 9.627 -5.130 -16.370 1.00 4.82 O
+ATOM 179 N THR A 66 11.518 -5.780 -17.393 1.00 4.28 N
+ATOM 180 CA THR A 66 11.243 -5.127 -18.668 1.00 3.83 C
+ATOM 181 C THR A 66 11.055 -6.135 -19.790 1.00 3.86 C
+ATOM 182 O THR A 66 11.451 -7.294 -19.699 1.00 3.53 O
+ATOM 183 CB THR A 66 12.334 -4.131 -19.074 1.00 4.07 C
+ATOM 184 OG1 THR A 66 13.603 -4.757 -19.191 1.00 0.00 O
+ATOM 185 CG2 THR A 66 12.477 -3.050 -17.994 1.00 0.00 C
+ATOM 186 N GLY A 67 10.391 -5.721 -20.899 1.00 3.39 N
+ATOM 187 CA GLY A 67 10.239 -6.565 -22.087 1.00 3.39 C
+ATOM 188 C GLY A 67 9.269 -7.703 -21.922 1.00 3.44 C
+ATOM 189 O GLY A 67 9.528 -8.836 -22.328 1.00 3.42 O
+ATOM 190 N ILE A 68 8.126 -7.440 -21.276 1.00 3.65 N
+ATOM 191 CA ILE A 68 7.217 -8.484 -20.844 1.00 3.58 C
+ATOM 192 C ILE A 68 5.866 -8.332 -21.506 1.00 4.01 C
+ATOM 193 O ILE A 68 5.180 -7.333 -21.317 1.00 4.14 O
+ATOM 194 CB ILE A 68 7.073 -8.457 -19.326 1.00 3.55 C
+ATOM 195 CG1 ILE A 68 8.424 -8.849 -18.685 1.00 0.00 C
+ATOM 196 CG2 ILE A 68 5.948 -9.409 -18.860 1.00 0.00 C
+ATOM 197 CD1 ILE A 68 8.482 -8.603 -17.177 1.00 0.00 C
+ATOM 198 N ASN A 69 5.430 -9.354 -22.269 1.00 4.06 N
+ATOM 199 CA ASN A 69 4.068 -9.443 -22.755 1.00 4.09 C
+ATOM 200 C ASN A 69 3.315 -10.453 -21.922 1.00 4.68 C
+ATOM 201 O ASN A 69 3.612 -11.644 -21.933 1.00 4.40 O
+ATOM 202 CB ASN A 69 3.956 -9.938 -24.216 1.00 3.83 C
+ATOM 203 CG ASN A 69 4.658 -8.980 -25.163 1.00 0.00 C
+ATOM 204 OD1 ASN A 69 4.267 -7.822 -25.320 1.00 0.00 O
+ATOM 205 ND2 ASN A 69 5.709 -9.488 -25.846 1.00 0.00 N
+ATOM 206 N PHE A 70 2.292 -10.011 -21.193 1.00 4.90 N
+ATOM 207 CA PHE A 70 1.360 -10.905 -20.546 1.00 5.18 C
+ATOM 208 C PHE A 70 0.117 -10.912 -21.407 1.00 5.62 C
+ATOM 209 O PHE A 70 -0.492 -9.870 -21.647 1.00 5.28 O
+ATOM 210 CB PHE A 70 1.047 -10.410 -19.112 1.00 5.37 C
+ATOM 211 CG PHE A 70 2.018 -10.891 -18.054 1.00 0.00 C
+ATOM 212 CD1 PHE A 70 3.293 -11.419 -18.324 1.00 0.00 C
+ATOM 213 CD2 PHE A 70 1.598 -10.839 -16.717 1.00 0.00 C
+ATOM 214 CE1 PHE A 70 4.105 -11.916 -17.292 1.00 0.00 C
+ATOM 215 CE2 PHE A 70 2.403 -11.318 -15.679 1.00 0.00 C
+ATOM 216 CZ PHE A 70 3.648 -11.879 -15.969 1.00 0.00 C
+ATOM 217 N VAL A 71 -0.272 -12.086 -21.935 1.00 20.00 N
+ATOM 218 CA VAL A 71 -1.406 -12.191 -22.832 1.00 20.00 C
+ATOM 219 C VAL A 71 -2.316 -13.304 -22.352 1.00 20.00 C
+ATOM 220 O VAL A 71 -1.900 -14.447 -22.163 1.00 6.65 O
+ATOM 221 CB VAL A 71 -1.000 -12.415 -24.293 1.00 20.00 C
+ATOM 222 CG1 VAL A 71 -2.250 -12.452 -25.195 1.00 0.00 C
+ATOM 223 CG2 VAL A 71 -0.066 -11.278 -24.760 1.00 0.00 C
+ATOM 224 N GLY A 72 -3.611 -13.006 -22.127 1.00 5.34 N
+ATOM 225 CA GLY A 72 -4.622 -14.046 -21.979 1.00 4.73 C
+ATOM 226 C GLY A 72 -4.929 -14.700 -23.300 1.00 4.24 C
+ATOM 227 O GLY A 72 -5.068 -14.033 -24.323 1.00 3.61 O
+ATOM 228 N ALA A 73 -5.066 -16.039 -23.333 1.00 3.94 N
+ATOM 229 CA ALA A 73 -5.581 -16.696 -24.520 1.00 3.87 C
+ATOM 230 C ALA A 73 -7.089 -16.458 -24.657 1.00 4.00 C
+ATOM 231 O ALA A 73 -7.768 -15.983 -23.749 1.00 3.25 O
+ATOM 232 CB ALA A 73 -5.206 -18.198 -24.555 1.00 3.56 C
+ATOM 233 N ASP A 74 -7.679 -16.727 -25.828 1.00 4.10 N
+ATOM 234 CA ASP A 74 -9.105 -16.559 -25.999 1.00 4.69 C
+ATOM 235 C ASP A 74 -9.881 -17.569 -25.101 1.00 4.55 C
+ATOM 236 O ASP A 74 -9.495 -18.731 -24.976 1.00 4.32 O
+ATOM 237 CB ASP A 74 -9.442 -16.643 -27.514 1.00 5.01 C
+ATOM 238 CG ASP A 74 -8.679 -15.657 -28.427 1.00 0.00 C
+ATOM 239 OD1 ASP A 74 -8.045 -14.647 -28.000 1.00 0.00 O
+ATOM 240 OD2 ASP A 74 -8.717 -15.923 -29.652 1.00 0.00 O
+ATOM 241 N HIS A 75 -10.945 -17.111 -24.397 1.00 4.42 N
+ATOM 242 CA HIS A 75 -11.677 -17.842 -23.354 1.00 3.94 C
+ATOM 243 C HIS A 75 -10.950 -17.929 -22.021 1.00 4.17 C
+ATOM 244 O HIS A 75 -11.290 -18.745 -21.171 1.00 4.17 O
+ATOM 245 CB HIS A 75 -12.167 -19.265 -23.727 1.00 0.00 C
+ATOM 246 CG HIS A 75 -12.753 -19.345 -25.092 1.00 0.00 C
+ATOM 247 ND1 HIS A 75 -14.048 -18.925 -25.323 1.00 0.00 N
+ATOM 248 CD2 HIS A 75 -12.168 -19.730 -26.254 1.00 0.00 C
+ATOM 249 CE1 HIS A 75 -14.226 -19.062 -26.619 1.00 0.00 C
+ATOM 250 NE2 HIS A 75 -13.117 -19.543 -27.232 1.00 0.00 N
+ATOM 251 N ILE A 76 -9.930 -17.085 -21.789 1.00 3.79 N
+ATOM 252 CA ILE A 76 -9.170 -17.112 -20.557 1.00 4.13 C
+ATOM 253 C ILE A 76 -9.645 -16.064 -19.627 1.00 4.01 C
+ATOM 254 O ILE A 76 -9.549 -14.851 -19.822 1.00 4.61 O
+ATOM 255 CB ILE A 76 -7.676 -17.003 -20.792 1.00 3.98 C
+ATOM 256 CG1 ILE A 76 -7.240 -18.267 -21.574 1.00 0.00 C
+ATOM 257 CG2 ILE A 76 -6.819 -16.769 -19.520 1.00 0.00 C
+ATOM 258 CD1 ILE A 76 -7.619 -19.608 -20.935 1.00 0.00 C
+ATOM 259 N PHE A 77 -10.147 -16.593 -18.520 1.00 3.83 N
+ATOM 260 CA PHE A 77 -10.611 -15.820 -17.440 1.00 3.37 C
+ATOM 261 C PHE A 77 -9.603 -16.064 -16.355 1.00 3.21 C
+ATOM 262 O PHE A 77 -9.571 -17.106 -15.698 1.00 2.58 O
+ATOM 263 CB PHE A 77 -12.047 -16.286 -17.147 1.00 3.31 C
+ATOM 264 CG PHE A 77 -12.723 -15.442 -16.126 1.00 0.00 C
+ATOM 265 CD1 PHE A 77 -13.347 -14.226 -16.435 1.00 0.00 C
+ATOM 266 CD2 PHE A 77 -12.820 -15.942 -14.834 1.00 0.00 C
+ATOM 267 CE1 PHE A 77 -14.081 -13.547 -15.458 1.00 0.00 C
+ATOM 268 CE2 PHE A 77 -13.545 -15.285 -13.845 1.00 0.00 C
+ATOM 269 CZ PHE A 77 -14.186 -14.091 -14.176 1.00 0.00 C
+ATOM 270 N ASP A 78 -8.739 -15.039 -16.176 1.00 2.62 N
+ATOM 271 CA ASP A 78 -8.219 -14.707 -14.891 1.00 2.59 C
+ATOM 272 C ASP A 78 -9.249 -13.772 -14.318 1.00 2.49 C
+ATOM 273 O ASP A 78 -10.383 -13.637 -14.789 1.00 2.17 O
+ATOM 274 CB ASP A 78 -6.715 -14.272 -14.793 1.00 2.30 C
+ATOM 275 CG ASP A 78 -6.452 -12.776 -14.818 1.00 0.00 C
+ATOM 276 OD1 ASP A 78 -6.358 -12.237 -13.684 1.00 0.00 O
+ATOM 277 OD2 ASP A 78 -6.336 -12.185 -15.912 1.00 0.00 O
+ATOM 278 N GLY A 79 -8.939 -13.232 -13.151 1.00 0.00 N
+ATOM 279 CA GLY A 79 -10.006 -13.130 -12.198 1.00 0.00 C
+ATOM 280 C GLY A 79 -9.863 -14.416 -11.375 1.00 0.00 C
+ATOM 281 O GLY A 79 -10.211 -15.312 -12.209 1.00 0.00 O
+ATOM 282 N ASN A 80 -9.359 -14.902 -8.473 1.00 0.00 N
+ATOM 283 CA ASN A 80 -9.661 -15.963 -7.356 1.00 0.00 C
+ATOM 284 C ASN A 80 -8.888 -17.258 -7.591 1.00 0.00 C
+ATOM 285 O ASN A 80 -7.660 -17.223 -7.610 1.00 0.00 O
+ATOM 286 CB ASN A 80 -11.205 -16.064 -6.983 1.00 0.00 C
+ATOM 287 CG ASN A 80 -11.603 -17.242 -6.096 1.00 0.00 C
+ATOM 288 OD1 ASN A 80 -10.850 -17.588 -5.201 1.00 0.00 O
+ATOM 289 ND2 ASN A 80 -12.686 -17.950 -6.456 1.00 0.00 N
+ATOM 290 N GLY A 81 -9.579 -18.415 -7.787 1.00 0.00 N
+ATOM 291 CA GLY A 81 -8.984 -19.700 -8.122 1.00 0.00 C
+ATOM 292 C GLY A 81 -8.048 -20.223 -7.088 1.00 0.00 C
+ATOM 293 O GLY A 81 -6.836 -20.094 -7.218 1.00 0.00 O
+ATOM 294 N ALA A 82 -8.601 -20.901 -6.070 1.00 0.00 N
+ATOM 295 CA ALA A 82 -7.880 -21.538 -4.989 1.00 0.00 C
+ATOM 296 C ALA A 82 -7.000 -22.724 -5.404 1.00 0.00 C
+ATOM 297 O ALA A 82 -7.195 -23.857 -4.965 1.00 0.00 O
+ATOM 298 CB ALA A 82 -8.946 -22.078 -4.022 1.00 0.00 C
+ATOM 299 N LEU A 83 -6.020 -22.493 -6.296 1.00 0.00 N
+ATOM 300 CA LEU A 83 -5.397 -23.577 -7.030 1.00 0.00 C
+ATOM 301 C LEU A 83 -4.233 -23.089 -7.895 1.00 0.00 C
+ATOM 302 O LEU A 83 -3.941 -23.645 -8.949 1.00 0.00 O
+ATOM 303 CB LEU A 83 -6.460 -24.336 -7.894 1.00 0.00 C
+ATOM 304 CG LEU A 83 -6.073 -25.751 -8.371 1.00 0.00 C
+ATOM 305 CD1 LEU A 83 -5.773 -26.645 -7.158 1.00 0.00 C
+ATOM 306 CD2 LEU A 83 -7.207 -26.365 -9.210 1.00 0.00 C
+ATOM 307 N TYR A 84 -3.496 -22.036 -7.468 1.00 0.00 N
+ATOM 308 CA TYR A 84 -2.300 -21.597 -8.203 1.00 0.00 C
+ATOM 309 C TYR A 84 -1.151 -21.460 -7.253 1.00 0.00 C
+ATOM 310 O TYR A 84 -0.133 -22.136 -7.360 1.00 0.00 O
+ATOM 311 CB TYR A 84 -2.433 -20.209 -8.899 1.00 0.00 C
+ATOM 312 CG TYR A 84 -3.435 -20.340 -9.988 1.00 0.00 C
+ATOM 313 CD1 TYR A 84 -4.765 -20.123 -9.643 1.00 0.00 C
+ATOM 314 CD2 TYR A 84 -3.116 -20.790 -11.283 1.00 0.00 C
+ATOM 315 CE1 TYR A 84 -5.784 -20.443 -10.535 1.00 0.00 C
+ATOM 316 CE2 TYR A 84 -4.145 -21.037 -12.209 1.00 0.00 C
+ATOM 317 CZ TYR A 84 -5.480 -20.884 -11.823 1.00 0.00 C
+ATOM 318 OH TYR A 84 -6.511 -21.213 -12.721 1.00 0.00 O
+ATOM 319 N TRP A 85 -1.319 -20.566 -6.276 1.00 0.00 N
+ATOM 320 CA TRP A 85 -0.393 -20.373 -5.202 1.00 0.00 C
+ATOM 321 C TRP A 85 -1.311 -20.157 -4.038 1.00 0.00 C
+ATOM 322 O TRP A 85 -2.504 -19.912 -4.228 1.00 0.00 O
+ATOM 323 CB TRP A 85 0.523 -19.134 -5.404 1.00 0.00 C
+ATOM 324 CG TRP A 85 1.363 -19.221 -6.666 1.00 0.00 C
+ATOM 325 CD1 TRP A 85 1.081 -18.786 -7.933 1.00 0.00 C
+ATOM 326 CD2 TRP A 85 2.581 -19.975 -6.756 1.00 0.00 C
+ATOM 327 CE2 TRP A 85 2.964 -19.978 -8.114 1.00 0.00 C
+ATOM 328 NE1 TRP A 85 2.045 -19.230 -8.816 1.00 0.00 N
+ATOM 329 CE3 TRP A 85 3.319 -20.662 -5.796 1.00 0.00 C
+ATOM 330 CZ3 TRP A 85 4.453 -21.369 -6.221 1.00 0.00 C
+ATOM 331 CH2 TRP A 85 4.830 -21.382 -7.573 1.00 0.00 C
+ATOM 332 CZ2 TRP A 85 4.087 -20.678 -8.534 1.00 0.00 C
+ATOM 333 N ASP A 86 -0.788 -20.263 -2.821 1.00 0.00 N
+ATOM 334 CA ASP A 86 -1.471 -19.938 -1.605 1.00 0.00 C
+ATOM 335 C ASP A 86 -1.440 -18.426 -1.355 1.00 0.00 C
+ATOM 336 O ASP A 86 -1.364 -17.604 -2.271 1.00 0.00 O
+ATOM 337 CB ASP A 86 -0.791 -20.764 -0.467 1.00 0.00 C
+ATOM 338 CG ASP A 86 0.739 -20.636 -0.399 1.00 0.00 C
+ATOM 339 OD1 ASP A 86 1.394 -20.251 -1.405 1.00 0.00 O
+ATOM 340 OD2 ASP A 86 1.271 -20.961 0.688 1.00 0.00 O
+ATOM 341 N GLY A 87 -1.449 -18.009 -0.072 1.00 0.00 N
+ATOM 342 CA GLY A 87 -1.320 -16.608 0.300 1.00 0.00 C
+ATOM 343 C GLY A 87 0.132 -16.239 0.364 1.00 0.00 C
+ATOM 344 O GLY A 87 0.681 -15.910 1.414 1.00 0.00 O
+ATOM 345 N LYS A 88 0.799 -16.288 -0.801 1.00 0.00 N
+ATOM 346 CA LYS A 88 2.231 -16.113 -0.957 1.00 0.00 C
+ATOM 347 C LYS A 88 2.653 -14.649 -0.914 1.00 0.00 C
+ATOM 348 O LYS A 88 3.252 -14.085 -1.829 1.00 0.00 O
+ATOM 349 CB LYS A 88 2.715 -16.830 -2.238 1.00 0.00 C
+ATOM 350 CG LYS A 88 4.244 -16.957 -2.346 1.00 0.00 C
+ATOM 351 CD LYS A 88 4.670 -17.645 -3.649 1.00 0.00 C
+ATOM 352 CE LYS A 88 6.187 -17.661 -3.829 1.00 0.00 C
+ATOM 353 NZ LYS A 88 6.522 -18.325 -5.106 1.00 0.00 N
+ATOM 354 N GLY A 89 2.338 -13.996 0.210 1.00 0.00 N
+ATOM 355 CA GLY A 89 2.765 -12.640 0.503 1.00 0.00 C
+ATOM 356 C GLY A 89 1.982 -12.096 1.654 1.00 0.00 C
+ATOM 357 O GLY A 89 2.508 -11.351 2.475 1.00 0.00 O
+ATOM 358 N THR A 90 0.696 -12.479 1.744 1.00 0.00 N
+ATOM 359 CA THR A 90 -0.260 -12.019 2.741 1.00 0.00 C
+ATOM 360 C THR A 90 -1.373 -13.065 2.777 1.00 0.00 C
+ATOM 361 O THR A 90 -1.543 -13.844 1.843 1.00 0.00 O
+ATOM 362 CB THR A 90 -0.903 -10.653 2.448 1.00 0.00 C
+ATOM 363 OG1 THR A 90 -1.381 -10.634 1.132 1.00 0.00 O
+ATOM 364 CG2 THR A 90 0.075 -9.478 2.450 1.00 0.00 C
+ATOM 365 N ASN A 91 -2.177 -13.137 3.860 1.00 0.00 N
+ATOM 366 CA ASN A 91 -3.309 -14.057 3.942 1.00 0.00 C
+ATOM 367 C ASN A 91 -4.459 -13.703 3.007 1.00 0.00 C
+ATOM 368 O ASN A 91 -4.462 -12.645 2.379 1.00 0.00 O
+ATOM 369 CB ASN A 91 -3.842 -14.175 5.406 1.00 0.00 C
+ATOM 370 CG ASN A 91 -4.579 -12.909 5.859 1.00 0.00 C
+ATOM 371 OD1 ASN A 91 -3.998 -11.829 5.948 1.00 0.00 O
+ATOM 372 ND2 ASN A 91 -5.905 -13.032 6.100 1.00 0.00 N
+ATOM 373 N ASN A 92 -5.520 -14.551 2.998 1.00 0.00 N
+ATOM 374 CA ASN A 92 -6.780 -14.360 2.287 1.00 0.00 C
+ATOM 375 C ASN A 92 -7.615 -13.091 2.580 1.00 0.00 C
+ATOM 376 O ASN A 92 -8.811 -13.026 2.304 1.00 0.00 O
+ATOM 377 CB ASN A 92 -7.686 -15.624 2.324 1.00 0.00 C
+ATOM 378 CG ASN A 92 -8.228 -15.883 3.725 1.00 0.00 C
+ATOM 379 OD1 ASN A 92 -7.572 -15.617 4.738 1.00 0.00 O
+ATOM 380 ND2 ASN A 92 -9.467 -16.418 3.790 1.00 0.00 N
+ATOM 381 N GLY A 93 -6.998 -12.048 3.159 1.00 0.00 N
+ATOM 382 CA GLY A 93 -7.630 -10.782 3.480 1.00 0.00 C
+ATOM 383 C GLY A 93 -7.313 -9.804 2.391 1.00 0.00 C
+ATOM 384 O GLY A 93 -8.083 -9.623 1.452 1.00 0.00 O
+ATOM 385 N THR A 94 -6.135 -9.149 2.459 1.00 0.00 N
+ATOM 386 CA THR A 94 -5.711 -8.173 1.458 1.00 0.00 C
+ATOM 387 C THR A 94 -4.544 -8.654 0.655 1.00 0.00 C
+ATOM 388 O THR A 94 -3.743 -7.882 0.138 1.00 0.00 O
+ATOM 389 CB THR A 94 -5.442 -6.775 1.967 1.00 0.00 C
+ATOM 390 OG1 THR A 94 -4.434 -6.740 2.967 1.00 0.00 O
+ATOM 391 CG2 THR A 94 -6.745 -6.296 2.604 1.00 0.00 C
+ATOM 392 N HIS A 95 -4.463 -9.975 0.448 1.00 0.00 N
+ATOM 393 CA HIS A 95 -3.684 -10.537 -0.639 1.00 0.00 C
+ATOM 394 C HIS A 95 -4.120 -10.096 -1.996 1.00 0.00 C
+ATOM 395 O HIS A 95 -3.319 -9.879 -2.900 1.00 0.00 O
+ATOM 396 CB HIS A 95 -3.709 -12.078 -0.599 1.00 0.00 C
+ATOM 397 CG HIS A 95 -5.069 -12.736 -0.576 1.00 0.00 C
+ATOM 398 ND1 HIS A 95 -5.085 -14.052 -0.973 1.00 0.00 N
+ATOM 399 CD2 HIS A 95 -6.348 -12.274 -0.458 1.00 0.00 C
+ATOM 400 CE1 HIS A 95 -6.353 -14.369 -1.118 1.00 0.00 C
+ATOM 401 NE2 HIS A 95 -7.160 -13.322 -0.818 1.00 0.00 N
+ATOM 402 N LYS A 96 -5.425 -9.914 -2.125 1.00 0.00 N
+ATOM 403 CA LYS A 96 -6.025 -9.488 -3.352 1.00 0.00 C
+ATOM 404 C LYS A 96 -5.524 -10.144 -4.702 1.00 0.00 C
+ATOM 405 O LYS A 96 -4.849 -9.476 -5.500 1.00 0.00 O
+ATOM 406 CB LYS A 96 -6.050 -7.935 -3.401 1.00 0.00 C
+ATOM 407 CG LYS A 96 -6.109 -6.985 -2.140 1.00 0.00 C
+ATOM 408 CD LYS A 96 -5.835 -5.473 -2.484 1.00 0.00 C
+ATOM 409 CE LYS A 96 -6.559 -4.268 -1.805 1.00 0.00 C
+ATOM 410 NZ LYS A 96 -6.789 -3.138 -2.758 1.00 0.00 N
+ATOM 411 N PRO A 97 -5.761 -11.488 -4.888 1.00 0.00 N
+ATOM 412 CA PRO A 97 -5.653 -12.277 -6.106 1.00 0.00 C
+ATOM 413 C PRO A 97 -6.452 -11.874 -7.308 1.00 0.00 C
+ATOM 414 O PRO A 97 -7.389 -11.102 -7.156 1.00 0.00 O
+ATOM 415 CB PRO A 97 -6.185 -13.691 -5.770 1.00 0.00 C
+ATOM 416 CG PRO A 97 -6.321 -13.759 -4.257 1.00 0.00 C
+ATOM 417 CD PRO A 97 -5.839 -12.413 -3.778 1.00 0.00 C
+ATOM 418 N HIS A 98 -6.092 -12.398 -8.514 1.00 0.00 N
+ATOM 419 CA HIS A 98 -6.626 -12.025 -9.818 1.00 0.00 C
+ATOM 420 C HIS A 98 -6.063 -10.745 -10.484 1.00 0.00 C
+ATOM 421 O HIS A 98 -6.706 -10.267 -11.412 1.00 0.00 O
+ATOM 422 CB HIS A 98 -8.174 -12.011 -9.853 1.00 0.00 C
+ATOM 423 CG HIS A 98 -8.898 -13.384 -9.771 1.00 0.00 C
+ATOM 424 ND1 HIS A 98 -10.798 -13.587 -9.490 1.00 0.00 N
+ATOM 425 CD2 HIS A 98 -8.171 -15.077 -10.167 1.00 0.00 C
+ATOM 426 CE1 HIS A 98 -10.997 -15.367 -9.752 1.00 0.00 C
+ATOM 427 NE2 HIS A 98 -9.492 -16.357 -10.143 1.00 0.00 N
+ATOM 428 N PRO A 99 -4.932 -10.150 -10.118 1.00 2.92 N
+ATOM 429 CA PRO A 99 -4.516 -9.014 -10.928 1.00 3.21 C
+ATOM 430 C PRO A 99 -3.024 -8.963 -11.147 1.00 3.41 C
+ATOM 431 O PRO A 99 -2.266 -9.847 -10.738 1.00 3.15 O
+ATOM 432 CB PRO A 99 -4.913 -7.858 -10.024 1.00 0.00 C
+ATOM 433 CG PRO A 99 -4.472 -8.311 -8.665 1.00 0.00 C
+ATOM 434 CD PRO A 99 -4.848 -9.761 -8.698 1.00 0.00 C
+ATOM 435 N PHE A 100 -2.591 -7.875 -11.805 1.00 3.85 N
+ATOM 436 CA PHE A 100 -1.230 -7.678 -12.237 1.00 4.07 C
+ATOM 437 C PHE A 100 -0.684 -6.338 -11.766 1.00 4.54 C
+ATOM 438 O PHE A 100 -1.263 -5.285 -12.017 1.00 4.39 O
+ATOM 439 CB PHE A 100 -1.174 -7.709 -13.784 1.00 4.37 C
+ATOM 440 CG PHE A 100 -1.681 -9.034 -14.285 1.00 0.00 C
+ATOM 441 CD1 PHE A 100 -3.014 -9.199 -14.705 1.00 0.00 C
+ATOM 442 CD2 PHE A 100 -0.837 -10.152 -14.261 1.00 0.00 C
+ATOM 443 CE1 PHE A 100 -3.492 -10.463 -15.072 1.00 0.00 C
+ATOM 444 CE2 PHE A 100 -1.307 -11.417 -14.641 1.00 0.00 C
+ATOM 445 CZ PHE A 100 -2.639 -11.572 -15.042 1.00 0.00 C
+ATOM 446 N LEU A 101 0.475 -6.330 -11.085 1.00 4.29 N
+ATOM 447 CA LEU A 101 1.142 -5.115 -10.651 1.00 4.74 C
+ATOM 448 C LEU A 101 2.454 -4.986 -11.397 1.00 4.32 C
+ATOM 449 O LEU A 101 3.242 -5.924 -11.492 1.00 4.21 O
+ATOM 450 CB LEU A 101 1.400 -5.127 -9.117 1.00 5.25 C
+ATOM 451 CG LEU A 101 2.215 -3.960 -8.509 1.00 0.00 C
+ATOM 452 CD1 LEU A 101 1.514 -2.600 -8.622 1.00 0.00 C
+ATOM 453 CD2 LEU A 101 2.505 -4.234 -7.027 1.00 0.00 C
+ATOM 454 N LYS A 102 2.731 -3.800 -11.960 1.00 3.45 N
+ATOM 455 CA LYS A 102 4.028 -3.479 -12.510 1.00 3.09 C
+ATOM 456 C LYS A 102 4.661 -2.410 -11.662 1.00 3.33 C
+ATOM 457 O LYS A 102 4.145 -1.311 -11.521 1.00 2.84 O
+ATOM 458 CB LYS A 102 3.924 -3.011 -13.974 1.00 2.86 C
+ATOM 459 CG LYS A 102 5.296 -2.761 -14.622 1.00 0.00 C
+ATOM 460 CD LYS A 102 5.200 -2.506 -16.134 1.00 0.00 C
+ATOM 461 CE LYS A 102 4.726 -3.712 -16.950 1.00 0.00 C
+ATOM 462 NZ LYS A 102 5.627 -4.877 -16.824 1.00 0.00 N
+ATOM 463 N ILE A 103 5.797 -2.711 -11.035 1.00 3.51 N
+ATOM 464 CA ILE A 103 6.441 -1.792 -10.129 1.00 3.81 C
+ATOM 465 C ILE A 103 7.922 -1.967 -10.390 1.00 3.50 C
+ATOM 466 O ILE A 103 8.516 -2.962 -10.008 1.00 3.17 O
+ATOM 467 CB ILE A 103 5.972 -2.046 -8.682 1.00 4.09 C
+ATOM 468 CG1 ILE A 103 6.548 -1.031 -7.667 1.00 0.00 C
+ATOM 469 CG2 ILE A 103 6.197 -3.514 -8.238 1.00 0.00 C
+ATOM 470 CD1 ILE A 103 5.851 -1.103 -6.298 1.00 0.00 C
+ATOM 471 N LYS A 104 8.553 -1.026 -11.127 1.00 0.00 N
+ATOM 472 CA LYS A 104 9.951 -1.154 -11.504 1.00 0.00 C
+ATOM 473 C LYS A 104 10.164 -1.712 -12.926 1.00 0.00 C
+ATOM 474 O LYS A 104 11.127 -2.420 -13.201 1.00 0.00 O
+ATOM 475 CB LYS A 104 10.626 0.227 -11.277 1.00 0.00 C
+ATOM 476 CG LYS A 104 12.155 0.266 -11.412 1.00 0.00 C
+ATOM 477 CD LYS A 104 12.594 0.609 -12.843 1.00 0.00 C
+ATOM 478 CE LYS A 104 14.097 0.505 -13.082 1.00 0.00 C
+ATOM 479 NZ LYS A 104 14.765 1.642 -12.412 1.00 0.00 N
+ATOM 480 N GLY A 105 9.300 -1.433 -13.935 1.00 2.79 N
+ATOM 481 CA GLY A 105 9.650 -1.961 -15.264 1.00 3.20 C
+ATOM 482 C GLY A 105 8.775 -1.597 -16.438 1.00 3.25 C
+ATOM 483 O GLY A 105 8.239 -0.505 -16.531 1.00 3.03 O
+ATOM 484 N SER A 106 8.584 -2.520 -17.409 1.00 0.00 N
+ATOM 485 CA SER A 106 8.025 -2.159 -18.722 1.00 0.00 C
+ATOM 486 C SER A 106 7.280 -3.343 -19.339 1.00 0.00 C
+ATOM 487 O SER A 106 7.498 -4.483 -18.921 1.00 0.00 O
+ATOM 488 CB SER A 106 9.152 -1.607 -19.646 1.00 0.00 C
+ATOM 489 OG SER A 106 8.723 -1.349 -20.978 1.00 0.00 O
+ATOM 490 N GLY A 107 6.318 -3.141 -20.282 1.00 2.71 N
+ATOM 491 CA GLY A 107 5.621 -4.270 -20.919 1.00 2.74 C
+ATOM 492 C GLY A 107 4.212 -4.048 -21.437 1.00 2.88 C
+ATOM 493 O GLY A 107 3.722 -2.932 -21.551 1.00 3.14 O
+ATOM 494 N THR A 108 3.529 -5.163 -21.762 1.00 3.14 N
+ATOM 495 CA THR A 108 2.174 -5.249 -22.313 1.00 3.34 C
+ATOM 496 C THR A 108 1.334 -6.151 -21.431 1.00 4.02 C
+ATOM 497 O THR A 108 1.782 -7.226 -21.033 1.00 4.08 O
+ATOM 498 CB THR A 108 2.142 -5.909 -23.697 1.00 3.58 C
+ATOM 499 OG1 THR A 108 2.862 -5.143 -24.647 1.00 0.00 O
+ATOM 500 CG2 THR A 108 0.728 -6.094 -24.276 1.00 0.00 C
+ATOM 501 N TYR A 109 0.072 -5.773 -21.135 1.00 4.44 N
+ATOM 502 CA TYR A 109 -0.921 -6.706 -20.610 1.00 4.38 C
+ATOM 503 C TYR A 109 -2.094 -6.672 -21.559 1.00 4.51 C
+ATOM 504 O TYR A 109 -2.587 -5.600 -21.911 1.00 4.64 O
+ATOM 505 CB TYR A 109 -1.456 -6.388 -19.190 1.00 4.81 C
+ATOM 506 CG TYR A 109 -0.339 -6.381 -18.192 1.00 0.00 C
+ATOM 507 CD1 TYR A 109 0.415 -5.215 -18.048 1.00 0.00 C
+ATOM 508 CD2 TYR A 109 -0.029 -7.489 -17.384 1.00 0.00 C
+ATOM 509 CE1 TYR A 109 1.422 -5.123 -17.096 1.00 0.00 C
+ATOM 510 CE2 TYR A 109 1.041 -7.420 -16.473 1.00 0.00 C
+ATOM 511 CZ TYR A 109 1.763 -6.230 -16.324 1.00 0.00 C
+ATOM 512 OH TYR A 109 2.822 -6.138 -15.400 1.00 0.00 O
+ATOM 513 N LYS A 110 -2.559 -7.845 -22.029 1.00 4.39 N
+ATOM 514 CA LYS A 110 -3.532 -7.867 -23.096 1.00 4.62 C
+ATOM 515 C LYS A 110 -4.444 -9.084 -23.055 1.00 4.67 C
+ATOM 516 O LYS A 110 -4.020 -10.172 -22.681 1.00 5.37 O
+ATOM 517 CB LYS A 110 -2.754 -7.810 -24.430 1.00 4.42 C
+ATOM 518 CG LYS A 110 -3.619 -7.764 -25.690 1.00 0.00 C
+ATOM 519 CD LYS A 110 -2.777 -7.497 -26.939 1.00 0.00 C
+ATOM 520 CE LYS A 110 -3.624 -7.436 -28.210 1.00 0.00 C
+ATOM 521 NZ LYS A 110 -2.847 -6.752 -29.268 1.00 0.00 N
+ATOM 522 N LYS A 111 -5.737 -8.922 -23.432 1.00 4.72 N
+ATOM 523 CA LYS A 111 -6.733 -9.994 -23.546 1.00 4.25 C
+ATOM 524 C LYS A 111 -6.994 -10.782 -22.271 1.00 4.46 C
+ATOM 525 O LYS A 111 -7.376 -11.948 -22.286 1.00 4.83 O
+ATOM 526 CB LYS A 111 -6.436 -11.005 -24.677 1.00 4.25 C
+ATOM 527 CG LYS A 111 -6.592 -10.485 -26.109 1.00 0.00 C
+ATOM 528 CD LYS A 111 -6.349 -11.673 -27.053 1.00 0.00 C
+ATOM 529 CE LYS A 111 -6.478 -11.394 -28.548 1.00 0.00 C
+ATOM 530 NZ LYS A 111 -6.511 -12.699 -29.260 1.00 0.00 N
+ATOM 531 N PHE A 112 -6.835 -10.141 -21.114 1.00 4.03 N
+ATOM 532 CA PHE A 112 -7.244 -10.718 -19.862 1.00 3.77 C
+ATOM 533 C PHE A 112 -8.702 -10.403 -19.634 1.00 3.80 C
+ATOM 534 O PHE A 112 -9.237 -9.405 -20.116 1.00 3.41 O
+ATOM 535 CB PHE A 112 -6.396 -10.170 -18.689 1.00 3.47 C
+ATOM 536 CG PHE A 112 -4.995 -10.686 -18.813 1.00 0.00 C
+ATOM 537 CD1 PHE A 112 -3.923 -9.873 -19.214 1.00 0.00 C
+ATOM 538 CD2 PHE A 112 -4.752 -12.029 -18.509 1.00 0.00 C
+ATOM 539 CE1 PHE A 112 -2.630 -10.406 -19.300 1.00 0.00 C
+ATOM 540 CE2 PHE A 112 -3.463 -12.559 -18.590 1.00 0.00 C
+ATOM 541 CZ PHE A 112 -2.401 -11.752 -18.999 1.00 0.00 C
+ATOM 542 N GLU A 113 -9.373 -11.244 -18.852 1.00 3.76 N
+ATOM 543 CA GLU A 113 -10.621 -10.899 -18.234 1.00 3.74 C
+ATOM 544 C GLU A 113 -10.249 -10.923 -16.775 1.00 3.97 C
+ATOM 545 O GLU A 113 -9.425 -11.738 -16.393 1.00 4.23 O
+ATOM 546 CB GLU A 113 -11.752 -11.873 -18.621 1.00 3.81 C
+ATOM 547 CG GLU A 113 -11.994 -11.870 -20.153 1.00 0.00 C
+ATOM 548 CD GLU A 113 -13.313 -12.502 -20.588 1.00 0.00 C
+ATOM 549 OE1 GLU A 113 -14.092 -12.958 -19.714 1.00 0.00 O
+ATOM 550 OE2 GLU A 113 -13.579 -12.467 -21.818 1.00 0.00 O
+ATOM 551 N VAL A 114 -10.714 -9.958 -15.967 1.00 3.65 N
+ATOM 552 CA VAL A 114 -10.294 -9.813 -14.583 1.00 3.86 C
+ATOM 553 C VAL A 114 -11.530 -9.443 -13.773 1.00 3.89 C
+ATOM 554 O VAL A 114 -12.206 -8.462 -14.077 1.00 3.43 O
+ATOM 555 CB VAL A 114 -9.253 -8.714 -14.392 1.00 3.84 C
+ATOM 556 CG1 VAL A 114 -8.918 -8.577 -12.896 1.00 0.00 C
+ATOM 557 CG2 VAL A 114 -7.959 -9.008 -15.184 1.00 0.00 C
+ATOM 558 N LEU A 115 -11.883 -10.197 -12.712 1.00 3.55 N
+ATOM 559 CA LEU A 115 -13.196 -10.053 -12.109 1.00 3.07 C
+ATOM 560 C LEU A 115 -13.247 -10.471 -10.653 1.00 3.12 C
+ATOM 561 O LEU A 115 -12.453 -11.294 -10.221 1.00 3.53 O
+ATOM 562 CB LEU A 115 -14.216 -10.831 -12.986 1.00 0.00 C
+ATOM 563 CG LEU A 115 -15.691 -10.922 -12.523 1.00 0.00 C
+ATOM 564 CD1 LEU A 115 -16.657 -11.092 -13.708 1.00 0.00 C
+ATOM 565 CD2 LEU A 115 -15.966 -12.087 -11.555 1.00 0.00 C
+ATOM 566 N ASN A 116 -14.192 -9.896 -9.859 1.00 3.05 N
+ATOM 567 CA ASN A 116 -14.467 -10.225 -8.453 1.00 2.53 C
+ATOM 568 C ASN A 116 -13.222 -10.277 -7.564 1.00 2.55 C
+ATOM 569 O ASN A 116 -12.856 -11.308 -7.005 1.00 2.46 O
+ATOM 570 CB ASN A 116 -15.444 -11.436 -8.263 1.00 2.52 C
+ATOM 571 CG ASN A 116 -15.898 -11.641 -6.815 1.00 0.00 C
+ATOM 572 OD1 ASN A 116 -15.662 -10.823 -5.926 1.00 0.00 O
+ATOM 573 ND2 ASN A 116 -16.608 -12.765 -6.558 1.00 0.00 N
+ATOM 574 N SER A 117 -12.528 -9.137 -7.419 1.00 0.00 N
+ATOM 575 CA SER A 117 -11.310 -9.059 -6.639 1.00 0.00 C
+ATOM 576 C SER A 117 -11.352 -7.985 -5.573 1.00 0.00 C
+ATOM 577 O SER A 117 -11.585 -6.812 -5.837 1.00 0.00 O
+ATOM 578 CB SER A 117 -10.102 -8.873 -7.548 1.00 0.00 C
+ATOM 579 OG SER A 117 -8.897 -8.981 -6.804 1.00 0.00 O
+ATOM 580 N PRO A 118 -11.044 -8.304 -4.344 1.00 0.00 N
+ATOM 581 CA PRO A 118 -10.573 -7.279 -3.418 1.00 0.00 C
+ATOM 582 C PRO A 118 -9.325 -6.470 -3.878 1.00 0.00 C
+ATOM 583 O PRO A 118 -8.890 -5.701 -3.024 1.00 0.00 O
+ATOM 584 CB PRO A 118 -10.532 -8.022 -2.048 1.00 0.00 C
+ATOM 585 CG PRO A 118 -10.795 -9.493 -2.406 1.00 0.00 C
+ATOM 586 CD PRO A 118 -11.657 -9.424 -3.647 1.00 0.00 C
+ATOM 587 N ALA A 119 -8.759 -6.542 -5.147 1.00 0.00 N
+ATOM 588 CA ALA A 119 -7.592 -5.813 -5.652 1.00 0.00 C
+ATOM 589 C ALA A 119 -7.898 -4.936 -6.827 1.00 0.00 C
+ATOM 590 O ALA A 119 -8.677 -5.259 -7.725 1.00 0.00 O
+ATOM 591 CB ALA A 119 -6.369 -6.647 -6.187 1.00 0.00 C
+ATOM 592 N GLN A 120 -7.085 -3.875 -6.950 1.00 0.00 N
+ATOM 593 CA GLN A 120 -6.599 -3.254 -8.169 1.00 0.00 C
+ATOM 594 C GLN A 120 -6.346 -4.251 -9.275 1.00 0.00 C
+ATOM 595 O GLN A 120 -5.441 -5.065 -9.171 1.00 0.00 O
+ATOM 596 CB GLN A 120 -5.307 -2.464 -7.806 1.00 0.00 C
+ATOM 597 CG GLN A 120 -4.037 -3.262 -7.383 1.00 0.00 C
+ATOM 598 CD GLN A 120 -4.152 -4.109 -6.113 1.00 0.00 C
+ATOM 599 OE1 GLN A 120 -4.968 -3.924 -5.205 1.00 0.00 O
+ATOM 600 NE2 GLN A 120 -3.220 -5.084 -6.021 1.00 0.00 N
+ATOM 601 N ALA A 121 -7.156 -4.250 -10.361 1.00 7.22 N
+ATOM 602 CA ALA A 121 -7.136 -5.245 -11.434 1.00 7.13 C
+ATOM 603 C ALA A 121 -5.836 -5.241 -12.194 1.00 6.56 C
+ATOM 604 O ALA A 121 -5.220 -6.274 -12.448 1.00 5.86 O
+ATOM 605 CB ALA A 121 -8.276 -4.930 -12.413 1.00 7.21 C
+ATOM 606 N ILE A 122 -5.358 -4.042 -12.538 1.00 6.37 N
+ATOM 607 CA ILE A 122 -4.048 -3.849 -13.107 1.00 5.81 C
+ATOM 608 C ILE A 122 -3.512 -2.591 -12.456 1.00 6.11 C
+ATOM 609 O ILE A 122 -4.213 -1.595 -12.324 1.00 6.51 O
+ATOM 610 CB ILE A 122 -4.128 -3.737 -14.625 1.00 5.76 C
+ATOM 611 CG1 ILE A 122 -4.453 -5.104 -15.264 1.00 4.84 C
+ATOM 612 CG2 ILE A 122 -2.820 -3.185 -15.224 1.00 5.17 C
+ATOM 613 CD1 ILE A 122 -5.302 -4.971 -16.520 1.00 4.15 C
+ATOM 614 N SER A 123 -2.258 -2.591 -11.980 1.00 5.43 N
+ATOM 615 CA SER A 123 -1.735 -1.432 -11.268 1.00 5.47 C
+ATOM 616 C SER A 123 -0.279 -1.218 -11.598 1.00 5.16 C
+ATOM 617 O SER A 123 0.453 -2.157 -11.907 1.00 4.73 O
+ATOM 618 CB SER A 123 -1.939 -1.535 -9.734 1.00 5.82 C
+ATOM 619 OG SER A 123 -1.425 -0.402 -9.026 1.00 0.00 O
+ATOM 620 N VAL A 124 0.160 0.056 -11.626 1.00 0.00 N
+ATOM 621 CA VAL A 124 1.465 0.456 -12.107 1.00 0.00 C
+ATOM 622 C VAL A 124 2.133 1.465 -11.175 1.00 0.00 C
+ATOM 623 O VAL A 124 1.759 2.639 -11.111 1.00 0.00 O
+ATOM 624 CB VAL A 124 1.361 1.051 -13.509 1.00 0.00 C
+ATOM 625 CG1 VAL A 124 2.740 1.241 -14.149 1.00 0.00 C
+ATOM 626 CG2 VAL A 124 0.494 0.162 -14.411 1.00 0.00 C
+ATOM 627 N GLY A 125 3.195 1.020 -10.463 1.00 0.00 N
+ATOM 628 CA GLY A 125 4.201 1.863 -9.819 1.00 0.00 C
+ATOM 629 C GLY A 125 5.201 2.376 -10.838 1.00 0.00 C
+ATOM 630 O GLY A 125 4.975 2.186 -12.028 1.00 0.00 O
+ATOM 631 N PRO A 126 6.305 3.028 -10.476 1.00 0.00 N
+ATOM 632 CA PRO A 126 7.301 3.568 -11.412 1.00 0.00 C
+ATOM 633 C PRO A 126 7.699 2.686 -12.596 1.00 0.00 C
+ATOM 634 O PRO A 126 7.870 1.479 -12.421 1.00 0.00 O
+ATOM 635 CB PRO A 126 8.498 3.918 -10.512 1.00 0.00 C
+ATOM 636 CG PRO A 126 7.855 4.220 -9.156 1.00 0.00 C
+ATOM 637 CD PRO A 126 6.721 3.196 -9.087 1.00 0.00 C
+ATOM 638 N THR A 127 7.852 3.266 -13.805 1.00 0.00 N
+ATOM 639 CA THR A 127 8.180 2.530 -15.024 1.00 0.00 C
+ATOM 640 C THR A 127 9.098 3.350 -15.889 1.00 0.00 C
+ATOM 641 O THR A 127 9.350 4.524 -15.624 1.00 0.00 O
+ATOM 642 CB THR A 127 6.987 2.145 -15.919 1.00 0.00 C
+ATOM 643 OG1 THR A 127 6.231 3.255 -16.387 1.00 0.00 O
+ATOM 644 CG2 THR A 127 6.034 1.245 -15.135 1.00 0.00 C
+ATOM 645 N ASP A 128 9.584 2.738 -16.986 1.00 0.00 N
+ATOM 646 CA ASP A 128 10.459 3.349 -17.962 1.00 0.00 C
+ATOM 647 C ASP A 128 9.656 4.020 -19.084 1.00 0.00 C
+ATOM 648 O ASP A 128 10.206 4.426 -20.108 1.00 0.00 O
+ATOM 649 CB ASP A 128 11.334 2.231 -18.584 1.00 0.00 C
+ATOM 650 CG ASP A 128 11.878 1.318 -17.494 1.00 0.00 C
+ATOM 651 OD1 ASP A 128 12.754 1.747 -16.700 1.00 0.00 O
+ATOM 652 OD2 ASP A 128 11.356 0.171 -17.421 1.00 0.00 O
+ATOM 653 N ALA A 129 8.320 4.143 -18.879 1.00 0.00 N
+ATOM 654 CA ALA A 129 7.395 4.825 -19.758 1.00 0.00 C
+ATOM 655 C ALA A 129 7.118 4.132 -21.085 1.00 0.00 C
+ATOM 656 O ALA A 129 7.297 4.719 -22.147 1.00 0.00 O
+ATOM 657 CB ALA A 129 7.799 6.298 -19.895 1.00 0.00 C
+ATOM 658 N HIS A 130 6.663 2.856 -21.027 1.00 4.01 N
+ATOM 659 CA HIS A 130 6.287 2.053 -22.179 1.00 4.42 C
+ATOM 660 C HIS A 130 5.316 0.975 -21.719 1.00 3.82 C
+ATOM 661 O HIS A 130 5.687 -0.181 -21.506 1.00 3.60 O
+ATOM 662 CB HIS A 130 7.490 1.332 -22.837 1.00 4.56 C
+ATOM 663 CG HIS A 130 8.564 2.254 -23.299 1.00 0.00 C
+ATOM 664 ND1 HIS A 130 8.498 2.859 -24.538 1.00 0.00 N
+ATOM 665 CD2 HIS A 130 9.627 2.718 -22.599 1.00 0.00 C
+ATOM 666 CE1 HIS A 130 9.518 3.693 -24.560 1.00 0.00 C
+ATOM 667 NE2 HIS A 130 10.236 3.647 -23.410 1.00 0.00 N
+ATOM 668 N LEU A 131 4.042 1.337 -21.486 1.00 3.22 N
+ATOM 669 CA LEU A 131 3.047 0.372 -21.054 1.00 2.71 C
+ATOM 670 C LEU A 131 1.832 0.373 -21.953 1.00 2.93 C
+ATOM 671 O LEU A 131 1.242 1.409 -22.254 1.00 2.77 O
+ATOM 672 CB LEU A 131 2.621 0.616 -19.591 1.00 2.70 C
+ATOM 673 CG LEU A 131 1.573 -0.362 -19.031 1.00 0.00 C
+ATOM 674 CD1 LEU A 131 2.118 -1.785 -18.880 1.00 0.00 C
+ATOM 675 CD2 LEU A 131 1.095 0.118 -17.668 1.00 0.00 C
+ATOM 676 N THR A 132 1.416 -0.833 -22.374 1.00 2.56 N
+ATOM 677 CA THR A 132 0.216 -1.019 -23.173 1.00 2.84 C
+ATOM 678 C THR A 132 -0.738 -1.899 -22.406 1.00 2.98 C
+ATOM 679 O THR A 132 -0.452 -3.066 -22.133 1.00 3.18 O
+ATOM 680 CB THR A 132 0.495 -1.663 -24.522 1.00 2.03 C
+ATOM 681 OG1 THR A 132 1.341 -0.820 -25.289 1.00 0.00 O
+ATOM 682 CG2 THR A 132 -0.795 -1.825 -25.335 1.00 0.00 C
+ATOM 683 N LEU A 133 -1.914 -1.356 -22.033 1.00 3.14 N
+ATOM 684 CA LEU A 133 -2.980 -2.113 -21.402 1.00 3.22 C
+ATOM 685 C LEU A 133 -4.122 -2.179 -22.412 1.00 3.18 C
+ATOM 686 O LEU A 133 -4.827 -1.194 -22.624 1.00 2.91 O
+ATOM 687 CB LEU A 133 -3.419 -1.437 -20.060 1.00 3.40 C
+ATOM 688 CG LEU A 133 -2.268 -1.276 -19.032 1.00 0.00 C
+ATOM 689 CD1 LEU A 133 -2.673 -0.676 -17.678 1.00 0.00 C
+ATOM 690 CD2 LEU A 133 -1.630 -2.624 -18.731 1.00 0.00 C
+ATOM 691 N ASP A 134 -4.298 -3.339 -23.091 1.00 3.41 N
+ATOM 692 CA ASP A 134 -5.093 -3.428 -24.315 1.00 3.54 C
+ATOM 693 C ASP A 134 -6.099 -4.576 -24.283 1.00 3.64 C
+ATOM 694 O ASP A 134 -5.772 -5.732 -24.016 1.00 3.71 O
+ATOM 695 CB ASP A 134 -4.142 -3.493 -25.555 1.00 3.41 C
+ATOM 696 CG ASP A 134 -4.795 -3.698 -26.926 1.00 3.67 C
+ATOM 697 OD1 ASP A 134 -5.855 -3.078 -27.204 1.00 4.54 O
+ATOM 698 OD2 ASP A 134 -4.208 -4.491 -27.722 1.00 3.19 O
+ATOM 699 N GLY A 135 -7.387 -4.283 -24.568 1.00 3.76 N
+ATOM 700 CA GLY A 135 -8.412 -5.307 -24.783 1.00 3.87 C
+ATOM 701 C GLY A 135 -8.734 -6.185 -23.602 1.00 4.06 C
+ATOM 702 O GLY A 135 -9.019 -7.367 -23.757 1.00 4.28 O
+ATOM 703 N ILE A 136 -8.648 -5.632 -22.383 1.00 3.81 N
+ATOM 704 CA ILE A 136 -8.862 -6.364 -21.146 1.00 3.76 C
+ATOM 705 C ILE A 136 -10.244 -6.072 -20.596 1.00 4.05 C
+ATOM 706 O ILE A 136 -10.674 -4.921 -20.538 1.00 4.00 O
+ATOM 707 CB ILE A 136 -7.792 -6.005 -20.115 1.00 3.20 C
+ATOM 708 CG1 ILE A 136 -6.419 -6.479 -20.640 1.00 0.00 C
+ATOM 709 CG2 ILE A 136 -8.102 -6.597 -18.718 1.00 0.00 C
+ATOM 710 CD1 ILE A 136 -5.253 -6.143 -19.712 1.00 0.00 C
+ATOM 711 N THR A 137 -10.973 -7.112 -20.151 1.00 4.19 N
+ATOM 712 CA THR A 137 -12.275 -6.953 -19.502 1.00 4.34 C
+ATOM 713 C THR A 137 -12.094 -6.909 -18.000 1.00 4.63 C
+ATOM 714 O THR A 137 -11.565 -7.844 -17.418 1.00 4.93 O
+ATOM 715 CB THR A 137 -13.258 -8.073 -19.824 1.00 4.47 C
+ATOM 716 OG1 THR A 137 -13.523 -8.095 -21.219 1.00 4.58 O
+ATOM 717 CG2 THR A 137 -14.611 -7.856 -19.126 1.00 4.34 C
+ATOM 718 N VAL A 138 -12.516 -5.833 -17.309 1.00 4.47 N
+ATOM 719 CA VAL A 138 -12.416 -5.721 -15.857 1.00 3.94 C
+ATOM 720 C VAL A 138 -13.801 -5.508 -15.290 1.00 4.04 C
+ATOM 721 O VAL A 138 -14.586 -4.724 -15.819 1.00 3.86 O
+ATOM 722 CB VAL A 138 -11.464 -4.622 -15.394 1.00 4.17 C
+ATOM 723 CG1 VAL A 138 -11.408 -4.512 -13.854 1.00 3.56 C
+ATOM 724 CG2 VAL A 138 -10.059 -4.956 -15.925 1.00 4.16 C
+ATOM 725 N ASP A 139 -14.148 -6.241 -14.221 1.00 3.75 N
+ATOM 726 CA ASP A 139 -15.511 -6.340 -13.757 1.00 4.19 C
+ATOM 727 C ASP A 139 -15.441 -6.623 -12.261 1.00 4.20 C
+ATOM 728 O ASP A 139 -14.429 -7.124 -11.771 1.00 4.63 O
+ATOM 729 CB ASP A 139 -16.134 -7.500 -14.589 1.00 4.36 C
+ATOM 730 CG ASP A 139 -17.652 -7.571 -14.664 1.00 0.00 C
+ATOM 731 OD1 ASP A 139 -18.359 -7.075 -13.763 1.00 0.00 O
+ATOM 732 OD2 ASP A 139 -18.139 -8.137 -15.684 1.00 0.00 O
+ATOM 733 N ASP A 140 -16.462 -6.274 -11.463 1.00 0.00 N
+ATOM 734 CA ASP A 140 -16.475 -6.588 -10.053 1.00 0.00 C
+ATOM 735 C ASP A 140 -17.233 -7.864 -9.688 1.00 0.00 C
+ATOM 736 O ASP A 140 -17.253 -8.853 -10.417 1.00 0.00 O
+ATOM 737 CB ASP A 140 -16.741 -5.329 -9.206 1.00 0.00 C
+ATOM 738 CG ASP A 140 -18.070 -4.642 -9.265 1.00 0.00 C
+ATOM 739 OD1 ASP A 140 -19.052 -5.213 -9.780 1.00 0.00 O
+ATOM 740 OD2 ASP A 140 -18.132 -3.545 -8.656 1.00 0.00 O
+ATOM 741 N PHE A 141 -17.805 -7.933 -8.472 1.00 0.00 N
+ATOM 742 CA PHE A 141 -18.855 -8.899 -8.217 1.00 0.00 C
+ATOM 743 C PHE A 141 -20.206 -8.258 -8.513 1.00 0.00 C
+ATOM 744 O PHE A 141 -21.086 -8.889 -9.099 1.00 0.00 O
+ATOM 745 CB PHE A 141 -18.823 -9.414 -6.750 1.00 0.00 C
+ATOM 746 CG PHE A 141 -19.916 -10.431 -6.533 1.00 0.00 C
+ATOM 747 CD1 PHE A 141 -19.955 -11.601 -7.309 1.00 0.00 C
+ATOM 748 CD2 PHE A 141 -21.008 -10.127 -5.705 1.00 0.00 C
+ATOM 749 CE1 PHE A 141 -21.084 -12.430 -7.294 1.00 0.00 C
+ATOM 750 CE2 PHE A 141 -22.138 -10.953 -5.684 1.00 0.00 C
+ATOM 751 CZ PHE A 141 -22.180 -12.100 -6.487 1.00 0.00 C
+ATOM 752 N ALA A 142 -20.363 -6.986 -8.094 1.00 0.00 N
+ATOM 753 CA ALA A 142 -21.618 -6.287 -8.041 1.00 0.00 C
+ATOM 754 C ALA A 142 -21.440 -4.886 -7.434 1.00 0.00 C
+ATOM 755 O ALA A 142 -21.646 -4.629 -6.247 1.00 0.00 O
+ATOM 756 CB ALA A 142 -22.648 -7.084 -7.216 1.00 0.00 C
+ATOM 757 N GLY A 143 -21.084 -3.913 -8.297 1.00 0.00 N
+ATOM 758 CA GLY A 143 -20.969 -2.475 -8.021 1.00 0.00 C
+ATOM 759 C GLY A 143 -22.285 -1.778 -7.796 1.00 0.00 C
+ATOM 760 O GLY A 143 -22.368 -0.566 -7.629 1.00 0.00 O
+ATOM 761 N ASP A 144 -23.387 -2.543 -7.781 1.00 0.00 N
+ATOM 762 CA ASP A 144 -24.674 -2.101 -7.298 1.00 0.00 C
+ATOM 763 C ASP A 144 -24.856 -2.468 -5.817 1.00 0.00 C
+ATOM 764 O ASP A 144 -25.886 -2.190 -5.199 1.00 0.00 O
+ATOM 765 CB ASP A 144 -25.799 -2.643 -8.222 1.00 0.00 C
+ATOM 766 CG ASP A 144 -25.804 -4.151 -8.418 1.00 0.00 C
+ATOM 767 OD1 ASP A 144 -25.051 -4.861 -7.711 1.00 0.00 O
+ATOM 768 OD2 ASP A 144 -26.565 -4.601 -9.312 1.00 0.00 O
+ATOM 769 N THR A 145 -23.813 -3.027 -5.163 1.00 0.00 N
+ATOM 770 CA THR A 145 -23.870 -3.438 -3.763 1.00 0.00 C
+ATOM 771 C THR A 145 -22.753 -2.719 -2.977 1.00 0.00 C
+ATOM 772 O THR A 145 -21.876 -2.058 -3.528 1.00 0.00 O
+ATOM 773 CB THR A 145 -23.725 -4.947 -3.546 1.00 0.00 C
+ATOM 774 OG1 THR A 145 -22.376 -5.377 -3.728 1.00 0.00 O
+ATOM 775 CG2 THR A 145 -24.613 -5.779 -4.467 1.00 0.00 C
+ATOM 776 N LYS A 146 -22.776 -2.863 -1.634 1.00 0.00 N
+ATOM 777 CA LYS A 146 -21.718 -2.393 -0.752 1.00 0.00 C
+ATOM 778 C LYS A 146 -21.557 -3.433 0.342 1.00 0.00 C
+ATOM 779 O LYS A 146 -20.497 -3.995 0.594 1.00 0.00 O
+ATOM 780 CB LYS A 146 -22.039 -1.008 -0.111 1.00 0.00 C
+ATOM 781 CG LYS A 146 -21.943 0.168 -1.101 1.00 0.00 C
+ATOM 782 CD LYS A 146 -22.218 1.541 -0.459 1.00 0.00 C
+ATOM 783 CE LYS A 146 -22.106 2.684 -1.477 1.00 0.00 C
+ATOM 784 NZ LYS A 146 -22.429 3.983 -0.842 1.00 0.00 N
+ATOM 785 N ASN A 147 -22.666 -3.747 1.039 1.00 0.00 N
+ATOM 786 CA ASN A 147 -22.664 -4.670 2.164 1.00 0.00 C
+ATOM 787 C ASN A 147 -22.537 -6.139 1.758 1.00 0.00 C
+ATOM 788 O ASN A 147 -22.365 -7.004 2.609 1.00 0.00 O
+ATOM 789 CB ASN A 147 -23.944 -4.515 3.026 1.00 0.00 C
+ATOM 790 CG ASN A 147 -24.027 -3.116 3.628 1.00 0.00 C
+ATOM 791 OD1 ASN A 147 -23.098 -2.310 3.591 1.00 0.00 O
+ATOM 792 ND2 ASN A 147 -25.211 -2.795 4.201 1.00 0.00 N
+ATOM 793 N LEU A 148 -22.616 -6.457 0.449 1.00 0.00 N
+ATOM 794 CA LEU A 148 -22.445 -7.809 -0.055 1.00 0.00 C
+ATOM 795 C LEU A 148 -21.023 -8.025 -0.560 1.00 0.00 C
+ATOM 796 O LEU A 148 -20.702 -9.065 -1.130 1.00 0.00 O
+ATOM 797 CB LEU A 148 -23.470 -8.115 -1.182 1.00 0.00 C
+ATOM 798 CG LEU A 148 -24.948 -8.130 -0.722 1.00 0.00 C
+ATOM 799 CD1 LEU A 148 -25.894 -8.326 -1.916 1.00 0.00 C
+ATOM 800 CD2 LEU A 148 -25.214 -9.225 0.325 1.00 0.00 C
+ATOM 801 N GLY A 149 -20.120 -7.051 -0.319 1.00 0.00 N
+ATOM 802 CA GLY A 149 -18.727 -7.125 -0.717 1.00 0.00 C
+ATOM 803 C GLY A 149 -18.383 -5.988 -1.618 1.00 0.00 C
+ATOM 804 O GLY A 149 -19.237 -5.227 -2.053 1.00 0.00 O
+ATOM 805 N HIS A 150 -17.087 -5.848 -1.919 1.00 0.00 N
+ATOM 806 CA HIS A 150 -16.626 -4.781 -2.767 1.00 0.00 C
+ATOM 807 C HIS A 150 -15.550 -5.334 -3.637 1.00 0.00 C
+ATOM 808 O HIS A 150 -14.831 -6.260 -3.263 1.00 0.00 O
+ATOM 809 CB HIS A 150 -15.966 -3.613 -1.994 1.00 0.00 C
+ATOM 810 CG HIS A 150 -16.882 -2.934 -1.042 1.00 0.00 C
+ATOM 811 ND1 HIS A 150 -17.674 -1.907 -1.496 1.00 0.00 N
+ATOM 812 CD2 HIS A 150 -17.098 -3.152 0.279 1.00 0.00 C
+ATOM 813 CE1 HIS A 150 -18.362 -1.515 -0.452 1.00 0.00 C
+ATOM 814 NE2 HIS A 150 -18.055 -2.235 0.654 1.00 0.00 N
+ATOM 815 N ASN A 151 -15.411 -4.711 -4.809 1.00 0.00 N
+ATOM 816 CA ASN A 151 -14.184 -4.711 -5.553 1.00 0.00 C
+ATOM 817 C ASN A 151 -13.555 -3.384 -5.251 1.00 0.00 C
+ATOM 818 O ASN A 151 -13.471 -2.964 -4.097 1.00 0.00 O
+ATOM 819 CB ASN A 151 -14.531 -4.894 -7.042 1.00 0.00 C
+ATOM 820 CG ASN A 151 -13.498 -5.421 -8.039 1.00 0.00 C
+ATOM 821 OD1 ASN A 151 -13.365 -6.636 -8.200 1.00 0.00 O
+ATOM 822 ND2 ASN A 151 -12.878 -4.533 -8.839 1.00 0.00 N
+ATOM 823 N THR A 152 -13.034 -2.732 -6.285 1.00 0.00 N
+ATOM 824 CA THR A 152 -11.789 -2.043 -6.054 1.00 0.00 C
+ATOM 825 C THR A 152 -11.422 -1.233 -7.255 1.00 0.00 C
+ATOM 826 O THR A 152 -11.993 -1.374 -8.333 1.00 0.00 O
+ATOM 827 CB THR A 152 -10.600 -2.995 -5.849 1.00 0.00 C
+ATOM 828 OG1 THR A 152 -10.849 -4.184 -6.596 1.00 0.00 O
+ATOM 829 CG2 THR A 152 -10.432 -3.372 -4.368 1.00 0.00 C
+ATOM 830 N ASP A 153 -10.346 -0.460 -7.027 1.00 0.00 N
+ATOM 831 CA ASP A 153 -9.254 -0.040 -7.876 1.00 0.00 C
+ATOM 832 C ASP A 153 -9.156 -0.795 -9.229 1.00 0.00 C
+ATOM 833 O ASP A 153 -9.340 -2.015 -9.325 1.00 0.00 O
+ATOM 834 CB ASP A 153 -7.906 -0.073 -7.002 1.00 0.00 C
+ATOM 835 CG ASP A 153 -7.949 -0.683 -5.564 1.00 0.00 C
+ATOM 836 OD1 ASP A 153 -8.895 -0.342 -4.808 1.00 0.00 O
+ATOM 837 OD2 ASP A 153 -7.069 -1.508 -5.160 1.00 0.00 O
+ATOM 838 N GLY A 154 -8.915 -0.091 -10.353 1.00 0.00 N
+ATOM 839 CA GLY A 154 -9.067 -0.714 -11.669 1.00 0.00 C
+ATOM 840 C GLY A 154 -7.795 -0.778 -12.456 1.00 0.00 C
+ATOM 841 O GLY A 154 -6.971 -1.654 -12.214 1.00 0.00 O
+ATOM 842 N PHE A 155 -7.628 0.096 -13.471 1.00 6.21 N
+ATOM 843 CA PHE A 155 -6.407 0.205 -14.257 1.00 6.02 C
+ATOM 844 C PHE A 155 -5.565 1.377 -13.770 1.00 6.10 C
+ATOM 845 O PHE A 155 -5.592 2.458 -14.352 1.00 6.05 O
+ATOM 846 CB PHE A 155 -6.685 0.460 -15.769 1.00 6.43 C
+ATOM 847 CG PHE A 155 -7.256 -0.729 -16.488 1.00 0.00 C
+ATOM 848 CD1 PHE A 155 -8.625 -1.026 -16.444 1.00 0.00 C
+ATOM 849 CD2 PHE A 155 -6.424 -1.507 -17.309 1.00 0.00 C
+ATOM 850 CE1 PHE A 155 -9.139 -2.079 -17.206 1.00 0.00 C
+ATOM 851 CE2 PHE A 155 -6.943 -2.532 -18.106 1.00 0.00 C
+ATOM 852 CZ PHE A 155 -8.308 -2.829 -18.043 1.00 0.00 C
+ATOM 853 N ASP A 156 -4.772 1.199 -12.705 1.00 5.79 N
+ATOM 854 CA ASP A 156 -4.277 2.330 -11.942 1.00 5.75 C
+ATOM 855 C ASP A 156 -2.792 2.600 -12.174 1.00 5.95 C
+ATOM 856 O ASP A 156 -1.989 1.680 -12.302 1.00 5.53 O
+ATOM 857 CB ASP A 156 -4.500 2.069 -10.438 1.00 5.82 C
+ATOM 858 CG ASP A 156 -5.966 2.154 -10.029 1.00 5.92 C
+ATOM 859 OD1 ASP A 156 -6.866 2.272 -10.900 1.00 4.10 O
+ATOM 860 OD2 ASP A 156 -6.196 2.130 -8.797 1.00 5.75 O
+ATOM 861 N VAL A 157 -2.355 3.880 -12.243 1.00 6.07 N
+ATOM 862 CA VAL A 157 -0.962 4.195 -12.557 1.00 6.33 C
+ATOM 863 C VAL A 157 -0.392 5.414 -11.828 1.00 6.36 C
+ATOM 864 O VAL A 157 -1.085 6.371 -11.489 1.00 6.37 O
+ATOM 865 CB VAL A 157 -0.677 4.402 -14.062 1.00 6.16 C
+ATOM 866 CG1 VAL A 157 -1.270 3.287 -14.951 1.00 0.00 C
+ATOM 867 CG2 VAL A 157 -1.183 5.753 -14.593 1.00 0.00 C
+ATOM 868 N SER A 158 0.946 5.448 -11.638 1.00 0.00 N
+ATOM 869 CA SER A 158 1.709 6.701 -11.556 1.00 0.00 C
+ATOM 870 C SER A 158 2.713 6.812 -12.706 1.00 0.00 C
+ATOM 871 O SER A 158 3.574 7.684 -12.741 1.00 0.00 O
+ATOM 872 CB SER A 158 2.452 6.914 -10.203 1.00 0.00 C
+ATOM 873 OG SER A 158 3.353 5.850 -9.883 1.00 0.00 O
+ATOM 874 N ALA A 159 2.620 5.915 -13.706 1.00 0.00 N
+ATOM 875 CA ALA A 159 3.520 5.845 -14.845 1.00 0.00 C
+ATOM 876 C ALA A 159 3.359 6.884 -15.964 1.00 0.00 C
+ATOM 877 O ALA A 159 2.271 7.377 -16.260 1.00 0.00 O
+ATOM 878 CB ALA A 159 3.415 4.445 -15.469 1.00 0.00 C
+ATOM 879 N ASN A 160 4.484 7.195 -16.656 1.00 3.25 N
+ATOM 880 CA ASN A 160 4.540 8.003 -17.868 1.00 3.10 C
+ATOM 881 C ASN A 160 4.393 7.110 -19.126 1.00 3.30 C
+ATOM 882 O ASN A 160 4.456 5.891 -19.009 1.00 3.34 O
+ATOM 883 CB ASN A 160 5.856 8.830 -17.837 1.00 2.79 C
+ATOM 884 CG ASN A 160 5.883 9.948 -18.873 1.00 0.00 C
+ATOM 885 OD1 ASN A 160 6.363 9.756 -19.986 1.00 0.00 O
+ATOM 886 ND2 ASN A 160 5.340 11.134 -18.528 1.00 0.00 N
+ATOM 887 N ASN A 161 4.163 7.700 -20.335 1.00 3.49 N
+ATOM 888 CA ASN A 161 3.853 7.101 -21.642 1.00 3.66 C
+ATOM 889 C ASN A 161 3.126 5.759 -21.638 1.00 3.84 C
+ATOM 890 O ASN A 161 3.696 4.700 -21.913 1.00 4.25 O
+ATOM 891 CB ASN A 161 5.038 7.083 -22.635 1.00 3.85 C
+ATOM 892 CG ASN A 161 5.733 8.429 -22.749 1.00 0.00 C
+ATOM 893 OD1 ASN A 161 5.095 9.474 -22.897 1.00 0.00 O
+ATOM 894 ND2 ASN A 161 7.084 8.415 -22.706 1.00 0.00 N
+ATOM 895 N VAL A 162 1.820 5.801 -21.312 1.00 3.91 N
+ATOM 896 CA VAL A 162 0.975 4.629 -21.201 1.00 3.50 C
+ATOM 897 C VAL A 162 -0.173 4.726 -22.188 1.00 3.57 C
+ATOM 898 O VAL A 162 -0.819 5.763 -22.330 1.00 3.25 O
+ATOM 899 CB VAL A 162 0.416 4.429 -19.787 1.00 3.60 C
+ATOM 900 CG1 VAL A 162 -0.415 3.135 -19.694 1.00 3.25 C
+ATOM 901 CG2 VAL A 162 1.585 4.372 -18.788 1.00 2.68 C
+ATOM 902 N THR A 163 -0.480 3.619 -22.885 1.00 3.42 N
+ATOM 903 CA THR A 163 -1.689 3.504 -23.689 1.00 3.42 C
+ATOM 904 C THR A 163 -2.621 2.543 -22.994 1.00 3.52 C
+ATOM 905 O THR A 163 -2.275 1.402 -22.687 1.00 3.37 O
+ATOM 906 CB THR A 163 -1.457 3.022 -25.116 1.00 3.43 C
+ATOM 907 OG1 THR A 163 -0.859 4.053 -25.885 1.00 4.38 O
+ATOM 908 CG2 THR A 163 -2.774 2.694 -25.831 1.00 2.96 C
+ATOM 909 N ILE A 164 -3.854 3.004 -22.731 1.00 3.53 N
+ATOM 910 CA ILE A 164 -4.940 2.237 -22.161 1.00 3.72 C
+ATOM 911 C ILE A 164 -5.985 2.162 -23.248 1.00 4.09 C
+ATOM 912 O ILE A 164 -6.547 3.178 -23.648 1.00 4.37 O
+ATOM 913 CB ILE A 164 -5.542 2.946 -20.953 1.00 3.77 C
+ATOM 914 CG1 ILE A 164 -4.452 3.368 -19.941 1.00 0.00 C
+ATOM 915 CG2 ILE A 164 -6.638 2.067 -20.303 1.00 0.00 C
+ATOM 916 CD1 ILE A 164 -3.690 2.196 -19.340 1.00 0.00 C
+ATOM 917 N GLN A 165 -6.259 0.973 -23.812 1.00 3.64 N
+ATOM 918 CA GLN A 165 -6.990 0.944 -25.063 1.00 3.63 C
+ATOM 919 C GLN A 165 -7.875 -0.273 -25.191 1.00 3.55 C
+ATOM 920 O GLN A 165 -7.552 -1.342 -24.693 1.00 3.62 O
+ATOM 921 CB GLN A 165 -5.993 1.045 -26.243 1.00 3.48 C
+ATOM 922 CG GLN A 165 -6.641 1.121 -27.639 1.00 0.00 C
+ATOM 923 CD GLN A 165 -5.628 1.435 -28.740 1.00 0.00 C
+ATOM 924 OE1 GLN A 165 -4.462 1.779 -28.532 1.00 0.00 O
+ATOM 925 NE2 GLN A 165 -6.117 1.319 -29.998 1.00 0.00 N
+ATOM 926 N ASN A 166 -9.078 -0.136 -25.801 1.00 3.59 N
+ATOM 927 CA ASN A 166 -10.024 -1.225 -26.081 1.00 3.29 C
+ATOM 928 C ASN A 166 -10.550 -2.003 -24.868 1.00 3.61 C
+ATOM 929 O ASN A 166 -11.331 -2.942 -24.999 1.00 4.30 O
+ATOM 930 CB ASN A 166 -9.452 -2.247 -27.106 1.00 3.37 C
+ATOM 931 CG ASN A 166 -9.105 -1.571 -28.426 1.00 0.00 C
+ATOM 932 OD1 ASN A 166 -9.837 -0.737 -28.964 1.00 0.00 O
+ATOM 933 ND2 ASN A 166 -7.932 -1.939 -28.994 1.00 0.00 N
+ATOM 934 N CYS A 167 -10.117 -1.647 -23.643 1.00 20.00 N
+ATOM 935 CA CYS A 167 -10.545 -2.265 -22.409 1.00 20.00 C
+ATOM 936 C CYS A 167 -12.010 -2.055 -22.109 1.00 20.00 C
+ATOM 937 O CYS A 167 -12.583 -0.998 -22.376 1.00 3.11 O
+ATOM 938 CB CYS A 167 -9.698 -1.824 -21.189 1.00 20.00 C
+ATOM 939 SG CYS A 167 -7.920 -2.110 -21.469 1.00 0.00 S
+ATOM 940 N ILE A 168 -12.635 -3.075 -21.513 1.00 3.45 N
+ATOM 941 CA ILE A 168 -14.036 -3.064 -21.173 1.00 4.24 C
+ATOM 942 C ILE A 168 -14.088 -3.056 -19.674 1.00 4.43 C
+ATOM 943 O ILE A 168 -13.659 -4.002 -19.022 1.00 4.96 O
+ATOM 944 CB ILE A 168 -14.765 -4.286 -21.730 1.00 4.26 C
+ATOM 945 CG1 ILE A 168 -14.728 -4.253 -23.279 1.00 0.00 C
+ATOM 946 CG2 ILE A 168 -16.213 -4.348 -21.183 1.00 0.00 C
+ATOM 947 CD1 ILE A 168 -15.250 -5.536 -23.938 1.00 0.00 C
+ATOM 948 N VAL A 169 -14.605 -1.978 -19.068 1.00 4.53 N
+ATOM 949 CA VAL A 169 -14.791 -1.942 -17.635 1.00 4.47 C
+ATOM 950 C VAL A 169 -16.250 -1.728 -17.372 1.00 4.70 C
+ATOM 951 O VAL A 169 -16.876 -0.774 -17.834 1.00 4.76 O
+ATOM 952 CB VAL A 169 -13.956 -0.923 -16.884 1.00 4.55 C
+ATOM 953 CG1 VAL A 169 -14.017 -1.294 -15.385 1.00 4.26 C
+ATOM 954 CG2 VAL A 169 -12.509 -0.995 -17.400 1.00 4.33 C
+ATOM 955 N LYS A 170 -16.859 -2.645 -16.627 1.00 4.70 N
+ATOM 956 CA LYS A 170 -18.265 -2.569 -16.369 1.00 4.67 C
+ATOM 957 C LYS A 170 -18.450 -3.118 -15.000 1.00 4.39 C
+ATOM 958 O LYS A 170 -17.607 -3.891 -14.572 1.00 4.25 O
+ATOM 959 CB LYS A 170 -19.107 -3.365 -17.402 1.00 4.83 C
+ATOM 960 CG LYS A 170 -18.825 -4.873 -17.418 1.00 0.00 C
+ATOM 961 CD LYS A 170 -19.718 -5.638 -18.404 1.00 0.00 C
+ATOM 962 CE LYS A 170 -19.537 -7.145 -18.199 1.00 0.00 C
+ATOM 963 NZ LYS A 170 -20.287 -7.924 -19.201 1.00 0.00 N
+ATOM 964 N ASN A 171 -19.498 -2.683 -14.268 1.00 4.22 N
+ATOM 965 CA ASN A 171 -19.686 -3.034 -12.866 1.00 4.23 C
+ATOM 966 C ASN A 171 -18.447 -2.767 -12.019 1.00 4.58 C
+ATOM 967 O ASN A 171 -17.619 -3.643 -11.806 1.00 4.35 O
+ATOM 968 CB ASN A 171 -20.173 -4.482 -12.661 1.00 4.11 C
+ATOM 969 CG ASN A 171 -21.444 -4.809 -13.425 1.00 4.08 C
+ATOM 970 OD1 ASN A 171 -22.187 -3.977 -13.951 1.00 3.08 O
+ATOM 971 ND2 ASN A 171 -21.744 -6.128 -13.450 1.00 4.44 N
+ATOM 972 N GLN A 172 -18.221 -1.508 -11.612 1.00 4.79 N
+ATOM 973 CA GLN A 172 -16.943 -1.163 -11.042 1.00 4.83 C
+ATOM 974 C GLN A 172 -16.991 0.210 -10.394 1.00 5.31 C
+ATOM 975 O GLN A 172 -17.119 1.239 -11.063 1.00 4.88 O
+ATOM 976 CB GLN A 172 -15.838 -1.167 -12.146 1.00 4.93 C
+ATOM 977 CG GLN A 172 -14.411 -0.827 -11.668 1.00 0.00 C
+ATOM 978 CD GLN A 172 -13.794 -1.897 -10.761 1.00 0.00 C
+ATOM 979 OE1 GLN A 172 -14.345 -2.299 -9.735 1.00 0.00 O
+ATOM 980 NE2 GLN A 172 -12.567 -2.354 -11.126 1.00 0.00 N
+ATOM 981 N ASP A 173 -16.877 0.269 -9.052 1.00 5.73 N
+ATOM 982 CA ASP A 173 -16.856 1.520 -8.317 1.00 6.19 C
+ATOM 983 C ASP A 173 -15.703 2.448 -8.668 1.00 6.32 C
+ATOM 984 O ASP A 173 -15.906 3.639 -8.911 1.00 6.12 O
+ATOM 985 CB ASP A 173 -16.786 1.261 -6.788 1.00 6.18 C
+ATOM 986 CG ASP A 173 -18.167 0.991 -6.214 1.00 0.00 C
+ATOM 987 OD1 ASP A 173 -19.142 0.985 -7.002 1.00 0.00 O
+ATOM 988 OD2 ASP A 173 -18.255 0.879 -4.965 1.00 0.00 O
+ATOM 989 N ASP A 174 -14.478 1.903 -8.724 1.00 6.39 N
+ATOM 990 CA ASP A 174 -13.267 2.654 -8.941 1.00 6.57 C
+ATOM 991 C ASP A 174 -12.531 1.942 -10.055 1.00 5.95 C
+ATOM 992 O ASP A 174 -12.383 0.729 -10.040 1.00 5.50 O
+ATOM 993 CB ASP A 174 -12.443 2.700 -7.635 1.00 7.13 C
+ATOM 994 CG ASP A 174 -11.342 3.738 -7.720 1.00 0.00 C
+ATOM 995 OD1 ASP A 174 -10.865 4.009 -8.852 1.00 0.00 O
+ATOM 996 OD2 ASP A 174 -11.030 4.331 -6.658 1.00 0.00 O
+ATOM 997 N CYS A 175 -12.119 2.652 -11.114 1.00 5.49 N
+ATOM 998 CA CYS A 175 -11.838 1.987 -12.368 1.00 5.33 C
+ATOM 999 C CYS A 175 -10.481 2.312 -12.952 1.00 5.44 C
+ATOM 1000 O CYS A 175 -9.985 1.524 -13.754 1.00 5.20 O
+ATOM 1001 CB CYS A 175 -12.960 2.419 -13.344 1.00 5.24 C
+ATOM 1002 SG CYS A 175 -12.830 1.864 -15.088 1.00 0.00 S
+ATOM 1003 N ILE A 176 -9.833 3.425 -12.580 1.00 4.97 N
+ATOM 1004 CA ILE A 176 -8.658 3.963 -13.269 1.00 4.68 C
+ATOM 1005 C ILE A 176 -8.157 5.150 -12.443 1.00 4.50 C
+ATOM 1006 O ILE A 176 -8.509 6.307 -12.686 1.00 4.61 O
+ATOM 1007 CB ILE A 176 -8.860 4.500 -14.724 1.00 4.27 C
+ATOM 1008 CG1 ILE A 176 -9.547 3.532 -15.726 1.00 0.00 C
+ATOM 1009 CG2 ILE A 176 -7.481 4.883 -15.301 1.00 0.00 C
+ATOM 1010 CD1 ILE A 176 -9.687 4.010 -17.174 1.00 0.00 C
+ATOM 1011 N ALA A 177 -7.303 4.931 -11.434 1.00 4.18 N
+ATOM 1012 CA ALA A 177 -6.650 6.029 -10.746 1.00 4.19 C
+ATOM 1013 C ALA A 177 -5.354 6.420 -11.445 1.00 4.09 C
+ATOM 1014 O ALA A 177 -4.563 5.567 -11.839 1.00 4.04 O
+ATOM 1015 CB ALA A 177 -6.338 5.640 -9.292 1.00 4.13 C
+ATOM 1016 N ILE A 178 -5.065 7.726 -11.631 1.00 3.83 N
+ATOM 1017 CA ILE A 178 -3.807 8.125 -12.249 1.00 3.85 C
+ATOM 1018 C ILE A 178 -3.178 9.240 -11.429 1.00 3.69 C
+ATOM 1019 O ILE A 178 -3.844 9.871 -10.612 1.00 3.39 O
+ATOM 1020 CB ILE A 178 -3.924 8.501 -13.730 1.00 3.44 C
+ATOM 1021 CG1 ILE A 178 -4.777 9.772 -13.935 1.00 0.00 C
+ATOM 1022 CG2 ILE A 178 -4.585 7.347 -14.511 1.00 0.00 C
+ATOM 1023 CD1 ILE A 178 -4.781 10.359 -15.352 1.00 0.00 C
+ATOM 1024 N ASN A 179 -1.858 9.501 -11.578 1.00 0.00 N
+ATOM 1025 CA ASN A 179 -1.175 10.397 -10.661 1.00 0.00 C
+ATOM 1026 C ASN A 179 0.040 11.035 -11.322 1.00 0.00 C
+ATOM 1027 O ASN A 179 0.340 10.742 -12.480 1.00 0.00 O
+ATOM 1028 CB ASN A 179 -0.793 9.629 -9.359 1.00 0.00 C
+ATOM 1029 CG ASN A 179 -0.822 10.565 -8.160 1.00 0.00 C
+ATOM 1030 OD1 ASN A 179 -1.200 11.729 -8.265 1.00 0.00 O
+ATOM 1031 ND2 ASN A 179 -0.443 10.051 -6.968 1.00 0.00 N
+ATOM 1032 N ASP A 180 0.725 11.966 -10.619 1.00 0.00 N
+ATOM 1033 CA ASP A 180 1.703 12.861 -11.193 1.00 0.00 C
+ATOM 1034 C ASP A 180 2.905 12.249 -11.915 1.00 0.00 C
+ATOM 1035 O ASP A 180 3.433 11.192 -11.581 1.00 0.00 O
+ATOM 1036 CB ASP A 180 2.083 14.030 -10.220 1.00 0.00 C
+ATOM 1037 CG ASP A 180 2.489 13.685 -8.782 1.00 0.00 C
+ATOM 1038 OD1 ASP A 180 1.743 12.921 -8.127 1.00 0.00 O
+ATOM 1039 OD2 ASP A 180 3.461 14.303 -8.259 1.00 0.00 O
+ATOM 1040 N GLY A 181 3.325 12.949 -12.995 1.00 0.00 N
+ATOM 1041 CA GLY A 181 4.395 12.551 -13.900 1.00 0.00 C
+ATOM 1042 C GLY A 181 3.925 11.751 -15.084 1.00 0.00 C
+ATOM 1043 O GLY A 181 4.729 11.140 -15.783 1.00 0.00 O
+ATOM 1044 N ASN A 182 2.614 11.711 -15.371 1.00 0.00 N
+ATOM 1045 CA ASN A 182 2.076 10.794 -16.360 1.00 0.00 C
+ATOM 1046 C ASN A 182 1.894 11.355 -17.770 1.00 0.00 C
+ATOM 1047 O ASN A 182 1.677 12.533 -17.990 1.00 0.00 O
+ATOM 1048 CB ASN A 182 0.788 10.130 -15.827 1.00 0.00 C
+ATOM 1049 CG ASN A 182 -0.362 11.106 -15.616 1.00 0.00 C
+ATOM 1050 OD1 ASN A 182 -0.333 12.296 -15.913 1.00 0.00 O
+ATOM 1051 ND2 ASN A 182 -1.465 10.553 -15.076 1.00 0.00 N
+ATOM 1052 N ASN A 183 1.967 10.500 -18.799 1.00 2.13 N
+ATOM 1053 CA ASN A 183 1.541 10.881 -20.131 1.00 2.00 C
+ATOM 1054 C ASN A 183 0.714 9.701 -20.580 1.00 2.27 C
+ATOM 1055 O ASN A 183 1.246 8.606 -20.742 1.00 2.00 O
+ATOM 1056 CB ASN A 183 2.769 11.150 -21.041 1.00 2.00 C
+ATOM 1057 CG ASN A 183 2.387 11.720 -22.402 1.00 0.00 C
+ATOM 1058 OD1 ASN A 183 1.257 12.127 -22.665 1.00 0.00 O
+ATOM 1059 ND2 ASN A 183 3.389 11.749 -23.311 1.00 0.00 N
+ATOM 1060 N ILE A 184 -0.617 9.851 -20.701 1.00 2.57 N
+ATOM 1061 CA ILE A 184 -1.476 8.684 -20.870 1.00 2.48 C
+ATOM 1062 C ILE A 184 -2.476 8.902 -21.974 1.00 2.69 C
+ATOM 1063 O ILE A 184 -3.165 9.917 -22.044 1.00 2.49 O
+ATOM 1064 CB ILE A 184 -2.232 8.261 -19.605 1.00 2.63 C
+ATOM 1065 CG1 ILE A 184 -1.269 8.076 -18.412 1.00 0.00 C
+ATOM 1066 CG2 ILE A 184 -3.026 6.954 -19.872 1.00 0.00 C
+ATOM 1067 CD1 ILE A 184 -2.015 7.879 -17.096 1.00 0.00 C
+ATOM 1068 N ARG A 185 -2.599 7.907 -22.864 1.00 2.55 N
+ATOM 1069 CA ARG A 185 -3.639 7.864 -23.854 1.00 2.72 C
+ATOM 1070 C ARG A 185 -4.687 6.839 -23.463 1.00 2.81 C
+ATOM 1071 O ARG A 185 -4.400 5.653 -23.323 1.00 3.18 O
+ATOM 1072 CB ARG A 185 -3.029 7.510 -25.219 1.00 2.70 C
+ATOM 1073 CG ARG A 185 -4.017 7.588 -26.396 1.00 0.00 C
+ATOM 1074 CD ARG A 185 -3.313 7.428 -27.743 1.00 0.00 C
+ATOM 1075 NE ARG A 185 -2.802 6.026 -27.778 1.00 0.00 N
+ATOM 1076 CZ ARG A 185 -2.337 5.437 -28.885 1.00 0.00 C
+ATOM 1077 NH1 ARG A 185 -2.444 4.119 -29.017 1.00 0.00 N
+ATOM 1078 NH2 ARG A 185 -1.823 6.158 -29.876 1.00 0.00 N
+ATOM 1079 N PHE A 186 -5.939 7.287 -23.286 1.00 2.47 N
+ATOM 1080 CA PHE A 186 -7.081 6.437 -23.019 1.00 2.23 C
+ATOM 1081 C PHE A 186 -7.938 6.450 -24.261 1.00 2.55 C
+ATOM 1082 O PHE A 186 -8.517 7.488 -24.592 1.00 2.45 O
+ATOM 1083 CB PHE A 186 -7.978 6.999 -21.885 1.00 2.08 C
+ATOM 1084 CG PHE A 186 -7.292 6.929 -20.559 1.00 0.00 C
+ATOM 1085 CD1 PHE A 186 -6.617 8.033 -20.007 1.00 0.00 C
+ATOM 1086 CD2 PHE A 186 -7.343 5.733 -19.838 1.00 0.00 C
+ATOM 1087 CE1 PHE A 186 -6.018 7.945 -18.743 1.00 0.00 C
+ATOM 1088 CE2 PHE A 186 -6.699 5.627 -18.605 1.00 0.00 C
+ATOM 1089 CZ PHE A 186 -6.043 6.729 -18.051 1.00 0.00 C
+ATOM 1090 N GLU A 187 -8.058 5.324 -24.987 1.00 2.32 N
+ATOM 1091 CA GLU A 187 -8.824 5.351 -26.218 1.00 2.27 C
+ATOM 1092 C GLU A 187 -9.576 4.074 -26.538 1.00 2.39 C
+ATOM 1093 O GLU A 187 -9.131 2.953 -26.309 1.00 2.00 O
+ATOM 1094 CB GLU A 187 -7.994 5.858 -27.432 1.00 2.85 C
+ATOM 1095 CG GLU A 187 -6.852 4.925 -27.897 1.00 0.00 C
+ATOM 1096 CD GLU A 187 -6.000 5.510 -29.019 1.00 0.00 C
+ATOM 1097 OE1 GLU A 187 -6.132 6.716 -29.357 1.00 0.00 O
+ATOM 1098 OE2 GLU A 187 -5.139 4.749 -29.531 1.00 0.00 O
+ATOM 1099 N ASN A 188 -10.815 4.228 -27.050 1.00 2.46 N
+ATOM 1100 CA ASN A 188 -11.730 3.149 -27.402 1.00 2.44 C
+ATOM 1101 C ASN A 188 -12.103 2.226 -26.236 1.00 2.65 C
+ATOM 1102 O ASN A 188 -12.479 1.071 -26.421 1.00 2.53 O
+ATOM 1103 CB ASN A 188 -11.214 2.320 -28.609 1.00 2.00 C
+ATOM 1104 CG ASN A 188 -10.945 3.243 -29.790 1.00 0.00 C
+ATOM 1105 OD1 ASN A 188 -11.583 4.277 -29.991 1.00 0.00 O
+ATOM 1106 ND2 ASN A 188 -9.953 2.861 -30.626 1.00 0.00 N
+ATOM 1107 N ASN A 189 -12.024 2.717 -24.985 1.00 2.96 N
+ATOM 1108 CA ASN A 189 -12.473 2.004 -23.809 1.00 3.42 C
+ATOM 1109 C ASN A 189 -13.992 2.013 -23.700 1.00 3.67 C
+ATOM 1110 O ASN A 189 -14.664 2.979 -24.067 1.00 3.29 O
+ATOM 1111 CB ASN A 189 -11.886 2.598 -22.496 1.00 3.40 C
+ATOM 1112 CG ASN A 189 -10.362 2.618 -22.496 1.00 3.88 C
+ATOM 1113 OD1 ASN A 189 -9.720 3.653 -22.320 1.00 5.22 O
+ATOM 1114 ND2 ASN A 189 -9.748 1.423 -22.638 1.00 2.00 N
+ATOM 1115 N GLN A 190 -14.564 0.932 -23.145 1.00 3.92 N
+ATOM 1116 CA GLN A 190 -15.985 0.837 -22.890 1.00 4.31 C
+ATOM 1117 C GLN A 190 -16.204 0.875 -21.400 1.00 4.74 C
+ATOM 1118 O GLN A 190 -15.759 -0.012 -20.676 1.00 4.78 O
+ATOM 1119 CB GLN A 190 -16.569 -0.493 -23.426 1.00 4.40 C
+ATOM 1120 CG GLN A 190 -18.063 -0.742 -23.094 1.00 0.00 C
+ATOM 1121 CD GLN A 190 -18.961 0.340 -23.695 1.00 0.00 C
+ATOM 1122 OE1 GLN A 190 -19.045 0.509 -24.910 1.00 0.00 O
+ATOM 1123 NE2 GLN A 190 -19.663 1.112 -22.832 1.00 0.00 N
+ATOM 1124 N CYS A 191 -16.902 1.909 -20.899 1.00 5.03 N
+ATOM 1125 CA CYS A 191 -17.089 2.087 -19.473 1.00 5.38 C
+ATOM 1126 C CYS A 191 -18.573 2.098 -19.166 1.00 5.65 C
+ATOM 1127 O CYS A 191 -19.303 2.994 -19.585 1.00 5.41 O
+ATOM 1128 CB CYS A 191 -16.388 3.378 -19.003 1.00 5.36 C
+ATOM 1129 SG CYS A 191 -14.607 3.308 -19.416 1.00 0.00 S
+ATOM 1130 N SER A 192 -19.070 1.045 -18.481 1.00 5.78 N
+ATOM 1131 CA SER A 192 -20.507 0.791 -18.380 1.00 6.25 C
+ATOM 1132 C SER A 192 -20.950 0.377 -16.987 1.00 6.63 C
+ATOM 1133 O SER A 192 -20.610 -0.701 -16.519 1.00 6.97 O
+ATOM 1134 CB SER A 192 -20.911 -0.348 -19.357 1.00 6.46 C
+ATOM 1135 OG SER A 192 -22.328 -0.516 -19.455 1.00 0.00 O
+ATOM 1136 N GLY A 193 -21.762 1.171 -16.260 1.00 6.63 N
+ATOM 1137 CA GLY A 193 -22.205 0.733 -14.930 1.00 6.98 C
+ATOM 1138 C GLY A 193 -21.171 0.906 -13.845 1.00 6.33 C
+ATOM 1139 O GLY A 193 -20.941 0.015 -13.033 1.00 6.41 O
+ATOM 1140 N GLY A 194 -20.492 2.066 -13.824 1.00 5.80 N
+ATOM 1141 CA GLY A 194 -19.431 2.351 -12.862 1.00 5.20 C
+ATOM 1142 C GLY A 194 -19.772 3.523 -11.987 1.00 5.32 C
+ATOM 1143 O GLY A 194 -20.499 4.422 -12.396 1.00 4.95 O
+ATOM 1144 N HIS A 195 -19.248 3.572 -10.747 1.00 5.38 N
+ATOM 1145 CA HIS A 195 -19.588 4.675 -9.855 1.00 6.05 C
+ATOM 1146 C HIS A 195 -18.801 5.943 -10.139 1.00 5.51 C
+ATOM 1147 O HIS A 195 -19.355 7.014 -10.361 1.00 5.05 O
+ATOM 1148 CB HIS A 195 -19.384 4.298 -8.369 1.00 6.31 C
+ATOM 1149 CG HIS A 195 -19.676 5.426 -7.431 1.00 0.00 C
+ATOM 1150 ND1 HIS A 195 -20.953 5.946 -7.357 1.00 0.00 N
+ATOM 1151 CD2 HIS A 195 -18.806 6.209 -6.743 1.00 0.00 C
+ATOM 1152 CE1 HIS A 195 -20.837 7.034 -6.629 1.00 0.00 C
+ATOM 1153 NE2 HIS A 195 -19.558 7.242 -6.229 1.00 0.00 N
+ATOM 1154 N GLY A 196 -17.467 5.866 -10.178 1.00 5.11 N
+ATOM 1155 CA GLY A 196 -16.671 7.016 -10.532 1.00 4.93 C
+ATOM 1156 C GLY A 196 -15.503 6.515 -11.294 1.00 4.66 C
+ATOM 1157 O GLY A 196 -15.343 5.315 -11.507 1.00 4.44 O
+ATOM 1158 N ILE A 197 -14.606 7.435 -11.687 1.00 0.00 N
+ATOM 1159 CA ILE A 197 -13.206 7.120 -11.934 1.00 0.00 C
+ATOM 1160 C ILE A 197 -12.995 6.457 -13.293 1.00 0.00 C
+ATOM 1161 O ILE A 197 -11.899 6.180 -13.767 1.00 0.00 O
+ATOM 1162 CB ILE A 197 -12.554 6.402 -10.731 1.00 0.00 C
+ATOM 1163 CG1 ILE A 197 -12.903 7.216 -9.450 1.00 0.00 C
+ATOM 1164 CG2 ILE A 197 -11.048 6.279 -11.031 1.00 0.00 C
+ATOM 1165 CD1 ILE A 197 -12.028 7.108 -8.197 1.00 0.00 C
+ATOM 1166 N SER A 198 -14.082 6.203 -14.023 1.00 0.00 N
+ATOM 1167 CA SER A 198 -14.055 5.203 -15.055 1.00 0.00 C
+ATOM 1168 C SER A 198 -13.894 5.755 -16.422 1.00 0.00 C
+ATOM 1169 O SER A 198 -13.327 5.107 -17.295 1.00 0.00 O
+ATOM 1170 CB SER A 198 -15.348 4.348 -14.953 1.00 0.00 C
+ATOM 1171 OG SER A 198 -16.506 5.166 -14.771 1.00 0.00 O
+ATOM 1172 N ILE A 199 -14.329 6.991 -16.648 1.00 0.00 N
+ATOM 1173 CA ILE A 199 -14.336 7.570 -17.966 1.00 0.00 C
+ATOM 1174 C ILE A 199 -13.333 8.647 -17.916 1.00 0.00 C
+ATOM 1175 O ILE A 199 -13.561 9.681 -17.314 1.00 0.00 O
+ATOM 1176 CB ILE A 199 -15.699 8.142 -18.265 1.00 0.00 C
+ATOM 1177 CG1 ILE A 199 -16.684 6.977 -18.144 1.00 0.00 C
+ATOM 1178 CG2 ILE A 199 -15.763 8.817 -19.651 1.00 0.00 C
+ATOM 1179 CD1 ILE A 199 -17.552 7.092 -16.901 1.00 0.00 C
+ATOM 1180 N GLY A 200 -12.149 8.425 -18.493 1.00 0.00 N
+ATOM 1181 CA GLY A 200 -11.151 9.473 -18.444 1.00 0.00 C
+ATOM 1182 C GLY A 200 -10.463 9.676 -17.123 1.00 0.00 C
+ATOM 1183 O GLY A 200 -9.754 10.661 -16.963 1.00 0.00 O
+ATOM 1184 N SER A 201 -10.652 8.724 -16.188 1.00 3.61 N
+ATOM 1185 CA SER A 201 -9.918 8.610 -14.933 1.00 3.35 C
+ATOM 1186 C SER A 201 -10.032 9.735 -13.902 1.00 3.19 C
+ATOM 1187 O SER A 201 -10.743 10.727 -14.072 1.00 3.14 O
+ATOM 1188 CB SER A 201 -8.442 8.194 -15.208 1.00 3.49 C
+ATOM 1189 OG SER A 201 -7.638 9.221 -15.772 1.00 0.00 O
+ATOM 1190 N ILE A 202 -9.357 9.560 -12.737 1.00 2.85 N
+ATOM 1191 CA ILE A 202 -9.077 10.645 -11.797 1.00 2.99 C
+ATOM 1192 C ILE A 202 -7.699 11.178 -12.118 1.00 3.14 C
+ATOM 1193 O ILE A 202 -6.688 10.592 -11.739 1.00 3.20 O
+ATOM 1194 CB ILE A 202 -9.064 10.231 -10.311 1.00 2.76 C
+ATOM 1195 CG1 ILE A 202 -10.405 9.659 -9.801 1.00 0.00 C
+ATOM 1196 CG2 ILE A 202 -8.651 11.411 -9.396 1.00 0.00 C
+ATOM 1197 CD1 ILE A 202 -11.644 10.435 -10.242 1.00 0.00 C
+ATOM 1198 N ALA A 203 -7.616 12.321 -12.810 1.00 3.01 N
+ATOM 1199 CA ALA A 203 -6.360 12.921 -13.168 1.00 2.87 C
+ATOM 1200 C ALA A 203 -5.821 13.869 -12.111 1.00 2.70 C
+ATOM 1201 O ALA A 203 -6.299 14.979 -11.894 1.00 2.76 O
+ATOM 1202 CB ALA A 203 -6.438 13.597 -14.542 1.00 3.03 C
+ATOM 1203 N THR A 204 -4.735 13.436 -11.465 1.00 2.78 N
+ATOM 1204 CA THR A 204 -3.903 14.252 -10.594 1.00 2.82 C
+ATOM 1205 C THR A 204 -2.599 14.370 -11.338 1.00 2.94 C
+ATOM 1206 O THR A 204 -2.139 13.382 -11.903 1.00 2.73 O
+ATOM 1207 CB THR A 204 -3.683 13.598 -9.239 1.00 2.86 C
+ATOM 1208 OG1 THR A 204 -4.904 13.541 -8.519 1.00 0.00 O
+ATOM 1209 CG2 THR A 204 -2.715 14.395 -8.356 1.00 0.00 C
+ATOM 1210 N GLY A 205 -2.006 15.590 -11.434 1.00 0.00 N
+ATOM 1211 CA GLY A 205 -0.781 15.824 -12.175 1.00 0.00 C
+ATOM 1212 C GLY A 205 0.146 16.801 -11.482 1.00 0.00 C
+ATOM 1213 O GLY A 205 -0.230 17.590 -10.620 1.00 0.00 O
+ATOM 1214 N LYS A 206 1.419 16.786 -11.883 1.00 0.00 N
+ATOM 1215 CA LYS A 206 2.430 17.766 -11.568 1.00 0.00 C
+ATOM 1216 C LYS A 206 3.369 17.730 -12.747 1.00 0.00 C
+ATOM 1217 O LYS A 206 3.337 16.771 -13.516 1.00 0.00 O
+ATOM 1218 CB LYS A 206 3.232 17.536 -10.287 1.00 0.00 C
+ATOM 1219 CG LYS A 206 2.398 17.605 -9.007 1.00 0.00 C
+ATOM 1220 CD LYS A 206 3.299 17.378 -7.800 1.00 0.00 C
+ATOM 1221 CE LYS A 206 2.480 16.920 -6.603 1.00 0.00 C
+ATOM 1222 NZ LYS A 206 3.361 16.182 -5.689 1.00 0.00 N
+ATOM 1223 N HIS A 207 4.084 18.855 -12.966 1.00 0.00 N
+ATOM 1224 CA HIS A 207 4.906 19.253 -14.105 1.00 0.00 C
+ATOM 1225 C HIS A 207 5.314 18.143 -15.098 1.00 0.00 C
+ATOM 1226 O HIS A 207 5.960 17.180 -14.701 1.00 0.00 O
+ATOM 1227 CB HIS A 207 6.128 20.036 -13.545 1.00 0.00 C
+ATOM 1228 CG HIS A 207 6.907 20.815 -14.554 1.00 0.00 C
+ATOM 1229 ND1 HIS A 207 7.878 20.156 -15.265 1.00 0.00 N
+ATOM 1230 CD2 HIS A 207 6.872 22.125 -14.908 1.00 0.00 C
+ATOM 1231 CE1 HIS A 207 8.424 21.064 -16.039 1.00 0.00 C
+ATOM 1232 NE2 HIS A 207 7.852 22.278 -15.862 1.00 0.00 N
+ATOM 1233 N VAL A 208 4.870 18.242 -16.390 1.00 0.00 N
+ATOM 1234 CA VAL A 208 5.111 17.290 -17.498 1.00 0.00 C
+ATOM 1235 C VAL A 208 4.035 16.215 -17.595 1.00 0.00 C
+ATOM 1236 O VAL A 208 3.975 15.430 -18.540 1.00 0.00 O
+ATOM 1237 CB VAL A 208 6.562 16.791 -17.635 1.00 0.00 C
+ATOM 1238 CG1 VAL A 208 6.794 15.686 -18.709 1.00 0.00 C
+ATOM 1239 CG2 VAL A 208 7.395 18.030 -18.004 1.00 0.00 C
+ATOM 1240 N SER A 209 3.051 16.227 -16.671 1.00 0.00 N
+ATOM 1241 CA SER A 209 1.842 15.425 -16.796 1.00 0.00 C
+ATOM 1242 C SER A 209 0.983 15.833 -18.000 1.00 0.00 C
+ATOM 1243 O SER A 209 1.035 16.992 -18.419 1.00 0.00 O
+ATOM 1244 CB SER A 209 0.957 15.401 -15.527 1.00 0.00 C
+ATOM 1245 OG SER A 209 1.682 14.913 -14.403 1.00 0.00 O
+ATOM 1246 N ASN A 210 0.209 14.893 -18.608 1.00 2.80 N
+ATOM 1247 CA ASN A 210 -0.713 15.174 -19.706 1.00 2.85 C
+ATOM 1248 C ASN A 210 -1.609 13.949 -19.918 1.00 2.97 C
+ATOM 1249 O ASN A 210 -1.154 12.820 -19.730 1.00 2.81 O
+ATOM 1250 CB ASN A 210 0.100 15.441 -21.011 1.00 2.94 C
+ATOM 1251 CG ASN A 210 -0.694 16.177 -22.087 1.00 0.00 C
+ATOM 1252 OD1 ASN A 210 -1.693 15.696 -22.618 1.00 0.00 O
+ATOM 1253 ND2 ASN A 210 -0.220 17.389 -22.463 1.00 0.00 N
+ATOM 1254 N VAL A 211 -2.883 14.102 -20.357 1.00 2.84 N
+ATOM 1255 CA VAL A 211 -3.670 12.947 -20.789 1.00 3.14 C
+ATOM 1256 C VAL A 211 -4.496 13.220 -22.041 1.00 2.97 C
+ATOM 1257 O VAL A 211 -5.089 14.278 -22.248 1.00 2.97 O
+ATOM 1258 CB VAL A 211 -4.586 12.310 -19.728 1.00 3.07 C
+ATOM 1259 CG1 VAL A 211 -3.752 11.772 -18.547 1.00 0.00 C
+ATOM 1260 CG2 VAL A 211 -5.655 13.294 -19.215 1.00 0.00 C
+ATOM 1261 N VAL A 212 -4.568 12.212 -22.932 1.00 2.75 N
+ATOM 1262 CA VAL A 212 -5.358 12.257 -24.152 1.00 2.49 C
+ATOM 1263 C VAL A 212 -6.440 11.212 -24.022 1.00 2.59 C
+ATOM 1264 O VAL A 212 -6.174 10.020 -23.892 1.00 2.62 O
+ATOM 1265 CB VAL A 212 -4.536 11.987 -25.410 1.00 2.01 C
+ATOM 1266 CG1 VAL A 212 -5.430 12.073 -26.668 1.00 0.00 C
+ATOM 1267 CG2 VAL A 212 -3.400 13.026 -25.485 1.00 0.00 C
+ATOM 1268 N ILE A 213 -7.713 11.630 -24.017 1.00 2.48 N
+ATOM 1269 CA ILE A 213 -8.827 10.746 -23.738 1.00 2.66 C
+ATOM 1270 C ILE A 213 -9.756 10.843 -24.922 1.00 2.60 C
+ATOM 1271 O ILE A 213 -10.402 11.863 -25.130 1.00 2.50 O
+ATOM 1272 CB ILE A 213 -9.516 11.151 -22.429 1.00 2.66 C
+ATOM 1273 CG1 ILE A 213 -8.536 10.953 -21.247 1.00 2.48 C
+ATOM 1274 CG2 ILE A 213 -10.812 10.339 -22.194 1.00 2.67 C
+ATOM 1275 CD1 ILE A 213 -8.950 11.644 -19.950 1.00 2.00 C
+ATOM 1276 N LYS A 214 -9.851 9.791 -25.760 1.00 2.40 N
+ATOM 1277 CA LYS A 214 -10.589 9.931 -27.002 1.00 2.37 C
+ATOM 1278 C LYS A 214 -11.238 8.655 -27.497 1.00 2.63 C
+ATOM 1279 O LYS A 214 -10.750 7.554 -27.289 1.00 2.81 O
+ATOM 1280 CB LYS A 214 -9.704 10.546 -28.109 1.00 2.26 C
+ATOM 1281 CG LYS A 214 -8.504 9.699 -28.532 1.00 0.00 C
+ATOM 1282 CD LYS A 214 -7.718 10.414 -29.635 1.00 0.00 C
+ATOM 1283 CE LYS A 214 -6.644 9.513 -30.229 1.00 0.00 C
+ATOM 1284 NZ LYS A 214 -5.960 10.214 -31.331 1.00 0.00 N
+ATOM 1285 N GLY A 215 -12.430 8.745 -28.122 1.00 2.69 N
+ATOM 1286 CA GLY A 215 -13.113 7.579 -28.700 1.00 2.63 C
+ATOM 1287 C GLY A 215 -13.766 6.648 -27.702 1.00 2.79 C
+ATOM 1288 O GLY A 215 -14.387 5.654 -28.056 1.00 2.87 O
+ATOM 1289 N ASN A 216 -13.632 6.947 -26.398 1.00 2.87 N
+ATOM 1290 CA ASN A 216 -14.203 6.156 -25.320 1.00 2.85 C
+ATOM 1291 C ASN A 216 -15.716 6.286 -25.224 1.00 3.00 C
+ATOM 1292 O ASN A 216 -16.273 7.363 -25.443 1.00 2.59 O
+ATOM 1293 CB ASN A 216 -13.581 6.486 -23.936 1.00 2.74 C
+ATOM 1294 CG ASN A 216 -12.070 6.392 -24.052 1.00 2.78 C
+ATOM 1295 OD1 ASN A 216 -11.532 5.328 -24.333 1.00 3.81 O
+ATOM 1296 ND2 ASN A 216 -11.346 7.513 -23.860 1.00 2.44 N
+ATOM 1297 N THR A 217 -16.398 5.192 -24.840 1.00 3.35 N
+ATOM 1298 CA THR A 217 -17.855 5.142 -24.760 1.00 3.65 C
+ATOM 1299 C THR A 217 -18.264 5.012 -23.327 1.00 4.07 C
+ATOM 1300 O THR A 217 -17.809 4.123 -22.604 1.00 4.36 O
+ATOM 1301 CB THR A 217 -18.472 3.963 -25.503 1.00 3.69 C
+ATOM 1302 OG1 THR A 217 -18.282 4.136 -26.896 1.00 0.00 O
+ATOM 1303 CG2 THR A 217 -19.995 3.848 -25.304 1.00 0.00 C
+ATOM 1304 N VAL A 218 -19.166 5.902 -22.879 1.00 4.13 N
+ATOM 1305 CA VAL A 218 -19.703 5.863 -21.537 1.00 3.94 C
+ATOM 1306 C VAL A 218 -21.197 5.659 -21.533 1.00 4.09 C
+ATOM 1307 O VAL A 218 -21.940 6.230 -22.329 1.00 4.27 O
+ATOM 1308 CB VAL A 218 -19.320 7.080 -20.713 1.00 3.67 C
+ATOM 1309 CG1 VAL A 218 -19.783 8.417 -21.303 1.00 0.00 C
+ATOM 1310 CG2 VAL A 218 -19.881 6.923 -19.286 1.00 0.00 C
+ATOM 1311 N THR A 219 -21.661 4.799 -20.610 1.00 4.12 N
+ATOM 1312 CA THR A 219 -23.067 4.632 -20.315 1.00 4.29 C
+ATOM 1313 C THR A 219 -23.187 4.255 -18.853 1.00 4.31 C
+ATOM 1314 O THR A 219 -22.342 3.550 -18.305 1.00 4.03 O
+ATOM 1315 CB THR A 219 -23.733 3.613 -21.234 1.00 4.02 C
+ATOM 1316 OG1 THR A 219 -25.100 3.376 -20.918 1.00 0.00 O
+ATOM 1317 CG2 THR A 219 -22.998 2.266 -21.185 1.00 0.00 C
+ATOM 1318 N ARG A 220 -24.229 4.754 -18.156 1.00 4.38 N
+ATOM 1319 CA ARG A 220 -24.512 4.449 -16.760 1.00 4.44 C
+ATOM 1320 C ARG A 220 -23.372 4.688 -15.792 1.00 4.49 C
+ATOM 1321 O ARG A 220 -22.866 3.766 -15.157 1.00 3.74 O
+ATOM 1322 CB ARG A 220 -25.099 3.036 -16.565 1.00 4.46 C
+ATOM 1323 CG ARG A 220 -26.422 2.859 -17.319 1.00 0.00 C
+ATOM 1324 CD ARG A 220 -27.045 1.488 -17.092 1.00 0.00 C
+ATOM 1325 NE ARG A 220 -28.321 1.505 -17.870 1.00 0.00 N
+ATOM 1326 CZ ARG A 220 -29.164 0.470 -17.962 1.00 0.00 C
+ATOM 1327 NH1 ARG A 220 -30.269 0.595 -18.694 1.00 0.00 N
+ATOM 1328 NH2 ARG A 220 -28.924 -0.679 -17.339 1.00 0.00 N
+ATOM 1329 N SER A 221 -22.929 5.946 -15.677 1.00 4.82 N
+ATOM 1330 CA SER A 221 -21.870 6.310 -14.766 1.00 4.86 C
+ATOM 1331 C SER A 221 -22.345 7.364 -13.808 1.00 5.03 C
+ATOM 1332 O SER A 221 -23.015 8.323 -14.186 1.00 5.20 O
+ATOM 1333 CB SER A 221 -20.611 6.801 -15.506 1.00 4.87 C
+ATOM 1334 OG SER A 221 -19.599 7.217 -14.588 1.00 0.00 O
+ATOM 1335 N MET A 222 -21.974 7.239 -12.524 1.00 0.00 N
+ATOM 1336 CA MET A 222 -22.400 8.191 -11.522 1.00 0.00 C
+ATOM 1337 C MET A 222 -21.411 9.334 -11.393 1.00 0.00 C
+ATOM 1338 O MET A 222 -21.676 10.282 -10.655 1.00 0.00 O
+ATOM 1339 CB MET A 222 -22.596 7.504 -10.149 1.00 0.00 C
+ATOM 1340 CG MET A 222 -23.711 6.439 -10.138 1.00 0.00 C
+ATOM 1341 SD MET A 222 -25.356 7.032 -10.658 1.00 0.00 S
+ATOM 1342 CE MET A 222 -25.613 8.235 -9.322 1.00 0.00 C
+ATOM 1343 N TYR A 223 -20.313 9.306 -12.189 1.00 0.00 N
+ATOM 1344 CA TYR A 223 -19.285 10.322 -12.215 1.00 0.00 C
+ATOM 1345 C TYR A 223 -18.130 9.941 -13.170 1.00 0.00 C
+ATOM 1346 O TYR A 223 -17.621 8.822 -13.176 1.00 0.00 O
+ATOM 1347 CB TYR A 223 -18.751 10.615 -10.789 1.00 0.00 C
+ATOM 1348 CG TYR A 223 -17.908 11.832 -10.849 1.00 0.00 C
+ATOM 1349 CD1 TYR A 223 -18.402 13.094 -11.240 1.00 0.00 C
+ATOM 1350 CD2 TYR A 223 -16.550 11.645 -10.655 1.00 0.00 C
+ATOM 1351 CE1 TYR A 223 -17.511 14.170 -11.404 1.00 0.00 C
+ATOM 1352 CE2 TYR A 223 -15.684 12.720 -10.785 1.00 0.00 C
+ATOM 1353 CZ TYR A 223 -16.149 13.987 -11.135 1.00 0.00 C
+ATOM 1354 OH TYR A 223 -15.227 15.050 -11.109 1.00 0.00 O
+ATOM 1355 N GLY A 224 -17.696 10.882 -14.047 1.00 0.00 N
+ATOM 1356 CA GLY A 224 -16.780 10.591 -15.156 1.00 0.00 C
+ATOM 1357 C GLY A 224 -15.359 11.064 -14.992 1.00 0.00 C
+ATOM 1358 O GLY A 224 -14.660 10.681 -14.056 1.00 0.00 O
+ATOM 1359 N VAL A 225 -14.907 11.892 -15.963 1.00 3.63 N
+ATOM 1360 CA VAL A 225 -13.586 12.484 -16.079 1.00 3.40 C
+ATOM 1361 C VAL A 225 -13.417 13.491 -14.970 1.00 3.45 C
+ATOM 1362 O VAL A 225 -14.091 14.521 -14.925 1.00 3.36 O
+ATOM 1363 CB VAL A 225 -13.324 13.225 -17.412 1.00 3.50 C
+ATOM 1364 CG1 VAL A 225 -11.819 13.548 -17.546 1.00 0.00 C
+ATOM 1365 CG2 VAL A 225 -13.814 12.463 -18.661 1.00 0.00 C
+ATOM 1366 N ARG A 226 -12.489 13.222 -14.048 1.00 3.12 N
+ATOM 1367 CA ARG A 226 -12.166 14.161 -13.007 1.00 3.09 C
+ATOM 1368 C ARG A 226 -10.761 14.566 -13.279 1.00 3.11 C
+ATOM 1369 O ARG A 226 -9.857 13.746 -13.195 1.00 3.21 O
+ATOM 1370 CB ARG A 226 -12.161 13.476 -11.626 1.00 3.03 C
+ATOM 1371 CG ARG A 226 -12.119 14.407 -10.393 1.00 0.00 C
+ATOM 1372 CD ARG A 226 -12.537 13.727 -9.075 1.00 0.00 C
+ATOM 1373 NE ARG A 226 -12.482 14.711 -7.971 1.00 0.00 N
+ATOM 1374 CZ ARG A 226 -12.725 14.412 -6.690 1.00 0.00 C
+ATOM 1375 NH1 ARG A 226 -12.551 15.353 -5.770 1.00 0.00 N
+ATOM 1376 NH2 ARG A 226 -13.139 13.205 -6.315 1.00 0.00 N
+ATOM 1377 N ILE A 227 -10.509 15.838 -13.579 1.00 3.06 N
+ATOM 1378 CA ILE A 227 -9.141 16.307 -13.697 1.00 2.93 C
+ATOM 1379 C ILE A 227 -8.743 17.002 -12.405 1.00 2.80 C
+ATOM 1380 O ILE A 227 -7.695 17.636 -12.289 1.00 2.83 O
+ATOM 1381 CB ILE A 227 -8.918 17.155 -14.939 1.00 3.10 C
+ATOM 1382 CG1 ILE A 227 -9.952 18.296 -15.078 1.00 0.00 C
+ATOM 1383 CG2 ILE A 227 -8.986 16.200 -16.154 1.00 0.00 C
+ATOM 1384 CD1 ILE A 227 -9.703 19.187 -16.302 1.00 0.00 C
+ATOM 1385 N LYS A 228 -9.612 16.917 -11.381 1.00 0.00 N
+ATOM 1386 CA LYS A 228 -9.495 17.827 -10.270 1.00 0.00 C
+ATOM 1387 C LYS A 228 -9.940 17.404 -8.901 1.00 0.00 C
+ATOM 1388 O LYS A 228 -10.955 16.750 -8.692 1.00 0.00 O
+ATOM 1389 CB LYS A 228 -10.221 19.132 -10.620 1.00 0.00 C
+ATOM 1390 CG LYS A 228 -11.679 19.087 -11.081 1.00 0.00 C
+ATOM 1391 CD LYS A 228 -12.102 20.521 -11.419 1.00 0.00 C
+ATOM 1392 CE LYS A 228 -11.555 21.069 -12.745 1.00 0.00 C
+ATOM 1393 NZ LYS A 228 -12.394 22.237 -13.088 1.00 0.00 N
+ATOM 1394 N ALA A 229 -9.197 17.879 -7.892 1.00 0.00 N
+ATOM 1395 CA ALA A 229 -9.417 17.650 -6.487 1.00 0.00 C
+ATOM 1396 C ALA A 229 -9.739 18.994 -5.848 1.00 0.00 C
+ATOM 1397 O ALA A 229 -9.173 20.020 -6.198 1.00 0.00 O
+ATOM 1398 CB ALA A 229 -8.159 17.030 -5.847 1.00 0.00 C
+ATOM 1399 N GLN A 230 -10.732 19.043 -4.934 1.00 0.00 N
+ATOM 1400 CA GLN A 230 -11.117 20.259 -4.218 1.00 0.00 C
+ATOM 1401 C GLN A 230 -11.562 21.452 -5.080 1.00 0.00 C
+ATOM 1402 O GLN A 230 -11.508 22.606 -4.648 1.00 0.00 O
+ATOM 1403 CB GLN A 230 -10.035 20.669 -3.181 1.00 0.00 C
+ATOM 1404 CG GLN A 230 -9.784 19.619 -2.070 1.00 0.00 C
+ATOM 1405 CD GLN A 230 -11.057 19.391 -1.255 1.00 0.00 C
+ATOM 1406 OE1 GLN A 230 -11.845 20.305 -1.013 1.00 0.00 O
+ATOM 1407 NE2 GLN A 230 -11.302 18.127 -0.838 1.00 0.00 N
+ATOM 1408 N ARG A 231 -12.075 21.144 -6.298 1.00 0.00 N
+ATOM 1409 CA ARG A 231 -12.631 22.023 -7.329 1.00 0.00 C
+ATOM 1410 C ARG A 231 -11.585 22.456 -8.366 1.00 0.00 C
+ATOM 1411 O ARG A 231 -11.916 23.102 -9.364 1.00 0.00 O
+ATOM 1412 CB ARG A 231 -13.348 23.315 -6.839 1.00 0.00 C
+ATOM 1413 CG ARG A 231 -14.456 23.157 -5.772 1.00 0.00 C
+ATOM 1414 CD ARG A 231 -14.680 24.453 -4.981 1.00 0.00 C
+ATOM 1415 NE ARG A 231 -13.396 24.680 -4.246 1.00 0.00 N
+ATOM 1416 CZ ARG A 231 -13.025 25.829 -3.672 1.00 0.00 C
+ATOM 1417 NH1 ARG A 231 -11.829 25.906 -3.093 1.00 0.00 N
+ATOM 1418 NH2 ARG A 231 -13.818 26.895 -3.681 1.00 0.00 N
+ATOM 1419 N THR A 232 -10.295 22.099 -8.198 1.00 0.00 N
+ATOM 1420 CA THR A 232 -9.232 22.602 -9.069 1.00 0.00 C
+ATOM 1421 C THR A 232 -8.299 21.512 -9.494 1.00 0.00 C
+ATOM 1422 O THR A 232 -8.014 20.549 -8.790 1.00 0.00 O
+ATOM 1423 CB THR A 232 -8.394 23.763 -8.532 1.00 0.00 C
+ATOM 1424 OG1 THR A 232 -7.957 23.537 -7.202 1.00 0.00 O
+ATOM 1425 CG2 THR A 232 -9.261 25.039 -8.552 1.00 0.00 C
+ATOM 1426 N ALA A 233 -7.875 21.576 -10.769 1.00 0.00 N
+ATOM 1427 CA ALA A 233 -7.038 20.552 -11.341 1.00 0.00 C
+ATOM 1428 C ALA A 233 -5.646 20.641 -10.760 1.00 0.00 C
+ATOM 1429 O ALA A 233 -5.057 21.723 -10.718 1.00 0.00 O
+ATOM 1430 CB ALA A 233 -7.077 20.645 -12.877 1.00 0.00 C
+ATOM 1431 N THR A 234 -5.108 19.514 -10.243 1.00 2.36 N
+ATOM 1432 CA THR A 234 -3.798 19.477 -9.618 1.00 2.12 C
+ATOM 1433 C THR A 234 -2.730 19.852 -10.615 1.00 2.15 C
+ATOM 1434 O THR A 234 -2.364 19.105 -11.520 1.00 2.02 O
+ATOM 1435 CB THR A 234 -3.460 18.157 -8.949 1.00 2.20 C
+ATOM 1436 OG1 THR A 234 -4.497 17.791 -8.046 1.00 0.00 O
+ATOM 1437 CG2 THR A 234 -2.172 18.278 -8.115 1.00 0.00 C
+ATOM 1438 N SER A 235 -2.272 21.102 -10.472 1.00 0.00 N
+ATOM 1439 CA SER A 235 -1.307 21.759 -11.331 1.00 0.00 C
+ATOM 1440 C SER A 235 -1.896 22.284 -12.645 1.00 0.00 C
+ATOM 1441 O SER A 235 -1.168 22.665 -13.558 1.00 0.00 O
+ATOM 1442 CB SER A 235 -0.024 20.926 -11.600 1.00 0.00 C
+ATOM 1443 OG SER A 235 0.516 20.367 -10.403 1.00 0.00 O
+ATOM 1444 N ALA A 236 -3.238 22.371 -12.754 1.00 0.00 N
+ATOM 1445 CA ALA A 236 -3.977 22.979 -13.850 1.00 0.00 C
+ATOM 1446 C ALA A 236 -3.798 22.360 -15.240 1.00 0.00 C
+ATOM 1447 O ALA A 236 -4.355 21.309 -15.544 1.00 0.00 O
+ATOM 1448 CB ALA A 236 -3.779 24.509 -13.842 1.00 0.00 C
+ATOM 1449 N SER A 237 -3.025 23.020 -16.135 1.00 0.00 N
+ATOM 1450 CA SER A 237 -2.766 22.626 -17.525 1.00 0.00 C
+ATOM 1451 C SER A 237 -2.032 21.313 -17.635 1.00 0.00 C
+ATOM 1452 O SER A 237 -2.139 20.591 -18.620 1.00 0.00 O
+ATOM 1453 CB SER A 237 -1.910 23.683 -18.283 1.00 0.00 C
+ATOM 1454 OG SER A 237 -0.734 24.033 -17.544 1.00 0.00 O
+ATOM 1455 N VAL A 238 -1.271 21.009 -16.582 1.00 0.00 N
+ATOM 1456 CA VAL A 238 -0.531 19.807 -16.320 1.00 0.00 C
+ATOM 1457 C VAL A 238 -1.388 18.550 -16.154 1.00 0.00 C
+ATOM 1458 O VAL A 238 -1.080 17.518 -16.725 1.00 0.00 O
+ATOM 1459 CB VAL A 238 0.231 20.096 -15.045 1.00 0.00 C
+ATOM 1460 CG1 VAL A 238 0.927 18.849 -14.506 1.00 0.00 C
+ATOM 1461 CG2 VAL A 238 1.275 21.221 -15.255 1.00 0.00 C
+ATOM 1462 N SER A 239 -2.520 18.551 -15.406 1.00 0.00 N
+ATOM 1463 CA SER A 239 -3.418 17.382 -15.382 1.00 0.00 C
+ATOM 1464 C SER A 239 -4.476 17.536 -16.463 1.00 0.00 C
+ATOM 1465 O SER A 239 -5.465 16.807 -16.552 1.00 0.00 O
+ATOM 1466 CB SER A 239 -4.115 17.106 -14.015 1.00 0.00 C
+ATOM 1467 OG SER A 239 -4.924 18.186 -13.562 1.00 0.00 O
+ATOM 1468 N GLY A 240 -4.236 18.535 -17.333 1.00 2.48 N
+ATOM 1469 CA GLY A 240 -4.952 18.853 -18.541 1.00 2.59 C
+ATOM 1470 C GLY A 240 -5.231 17.684 -19.428 1.00 2.64 C
+ATOM 1471 O GLY A 240 -4.427 16.773 -19.623 1.00 2.63 O
+ATOM 1472 N VAL A 241 -6.426 17.725 -20.008 1.00 2.68 N
+ATOM 1473 CA VAL A 241 -6.971 16.643 -20.768 1.00 2.50 C
+ATOM 1474 C VAL A 241 -7.295 17.135 -22.154 1.00 2.60 C
+ATOM 1475 O VAL A 241 -8.000 18.123 -22.351 1.00 2.72 O
+ATOM 1476 CB VAL A 241 -8.204 16.057 -20.075 1.00 2.32 C
+ATOM 1477 CG1 VAL A 241 -9.223 17.138 -19.661 1.00 0.00 C
+ATOM 1478 CG2 VAL A 241 -8.890 15.022 -20.975 1.00 0.00 C
+ATOM 1479 N THR A 242 -6.812 16.409 -23.174 1.00 2.65 N
+ATOM 1480 CA THR A 242 -7.364 16.523 -24.516 1.00 3.37 C
+ATOM 1481 C THR A 242 -8.461 15.491 -24.615 1.00 3.38 C
+ATOM 1482 O THR A 242 -8.202 14.300 -24.776 1.00 3.40 O
+ATOM 1483 CB THR A 242 -6.357 16.306 -25.632 1.00 3.10 C
+ATOM 1484 OG1 THR A 242 -5.357 17.311 -25.562 1.00 0.00 O
+ATOM 1485 CG2 THR A 242 -7.025 16.454 -27.008 1.00 0.00 C
+ATOM 1486 N TYR A 243 -9.725 15.935 -24.463 1.00 3.65 N
+ATOM 1487 CA TYR A 243 -10.902 15.087 -24.464 1.00 3.77 C
+ATOM 1488 C TYR A 243 -11.561 15.245 -25.825 1.00 4.02 C
+ATOM 1489 O TYR A 243 -12.003 16.339 -26.174 1.00 4.13 O
+ATOM 1490 CB TYR A 243 -11.864 15.502 -23.312 1.00 3.77 C
+ATOM 1491 CG TYR A 243 -12.985 14.518 -23.102 1.00 0.00 C
+ATOM 1492 CD1 TYR A 243 -12.801 13.389 -22.288 1.00 0.00 C
+ATOM 1493 CD2 TYR A 243 -14.242 14.732 -23.690 1.00 0.00 C
+ATOM 1494 CE1 TYR A 243 -13.851 12.486 -22.075 1.00 0.00 C
+ATOM 1495 CE2 TYR A 243 -15.304 13.844 -23.454 1.00 0.00 C
+ATOM 1496 CZ TYR A 243 -15.106 12.719 -22.640 1.00 0.00 C
+ATOM 1497 OH TYR A 243 -16.146 11.797 -22.397 1.00 0.00 O
+ATOM 1498 N ASP A 244 -11.586 14.173 -26.636 1.00 3.88 N
+ATOM 1499 CA ASP A 244 -11.836 14.289 -28.058 1.00 3.80 C
+ATOM 1500 C ASP A 244 -12.692 13.126 -28.558 1.00 3.74 C
+ATOM 1501 O ASP A 244 -12.431 11.956 -28.293 1.00 3.82 O
+ATOM 1502 CB ASP A 244 -10.457 14.355 -28.775 1.00 3.58 C
+ATOM 1503 CG ASP A 244 -10.554 14.544 -30.279 1.00 0.00 C
+ATOM 1504 OD1 ASP A 244 -11.625 15.002 -30.753 1.00 0.00 O
+ATOM 1505 OD2 ASP A 244 -9.552 14.199 -30.959 1.00 0.00 O
+ATOM 1506 N ALA A 245 -13.768 13.424 -29.310 1.00 3.28 N
+ATOM 1507 CA ALA A 245 -14.608 12.443 -29.980 1.00 3.36 C
+ATOM 1508 C ALA A 245 -15.114 11.262 -29.136 1.00 3.44 C
+ATOM 1509 O ALA A 245 -15.215 10.128 -29.600 1.00 3.63 O
+ATOM 1510 CB ALA A 245 -13.880 11.956 -31.249 1.00 3.25 C
+ATOM 1511 N ASN A 246 -15.462 11.505 -27.858 1.00 3.27 N
+ATOM 1512 CA ASN A 246 -15.996 10.492 -26.967 1.00 3.42 C
+ATOM 1513 C ASN A 246 -17.514 10.431 -27.036 1.00 3.30 C
+ATOM 1514 O ASN A 246 -18.184 11.430 -27.290 1.00 3.67 O
+ATOM 1515 CB ASN A 246 -15.619 10.775 -25.496 1.00 3.26 C
+ATOM 1516 CG ASN A 246 -14.115 10.915 -25.331 1.00 3.34 C
+ATOM 1517 OD1 ASN A 246 -13.547 11.990 -25.493 1.00 5.01 O
+ATOM 1518 ND2 ASN A 246 -13.438 9.806 -24.967 1.00 2.00 N
+ATOM 1519 N THR A 247 -18.099 9.249 -26.764 1.00 3.07 N
+ATOM 1520 CA THR A 247 -19.543 9.050 -26.848 1.00 2.77 C
+ATOM 1521 C THR A 247 -20.128 9.056 -25.462 1.00 2.78 C
+ATOM 1522 O THR A 247 -19.850 8.171 -24.653 1.00 3.10 O
+ATOM 1523 CB THR A 247 -19.939 7.739 -27.510 1.00 2.24 C
+ATOM 1524 OG1 THR A 247 -19.503 7.748 -28.859 1.00 0.00 O
+ATOM 1525 CG2 THR A 247 -21.466 7.558 -27.553 1.00 0.00 C
+ATOM 1526 N ILE A 248 -20.961 10.070 -25.150 1.00 2.76 N
+ATOM 1527 CA ILE A 248 -21.470 10.294 -23.808 1.00 2.83 C
+ATOM 1528 C ILE A 248 -22.971 10.065 -23.704 1.00 2.83 C
+ATOM 1529 O ILE A 248 -23.772 10.719 -24.368 1.00 2.30 O
+ATOM 1530 CB ILE A 248 -21.119 11.694 -23.290 1.00 2.99 C
+ATOM 1531 CG1 ILE A 248 -19.586 11.909 -23.200 1.00 0.00 C
+ATOM 1532 CG2 ILE A 248 -21.761 11.899 -21.898 1.00 0.00 C
+ATOM 1533 CD1 ILE A 248 -19.202 13.368 -22.901 1.00 0.00 C
+ATOM 1534 N SER A 249 -23.401 9.153 -22.803 1.00 2.81 N
+ATOM 1535 CA SER A 249 -24.791 9.065 -22.382 1.00 3.26 C
+ATOM 1536 C SER A 249 -24.871 8.567 -20.947 1.00 3.34 C
+ATOM 1537 O SER A 249 -23.903 8.045 -20.400 1.00 3.65 O
+ATOM 1538 CB SER A 249 -25.678 8.190 -23.319 1.00 3.12 C
+ATOM 1539 OG SER A 249 -25.383 6.794 -23.230 1.00 0.00 O
+ATOM 1540 N GLY A 250 -26.037 8.767 -20.276 1.00 3.51 N
+ATOM 1541 CA GLY A 250 -26.325 8.291 -18.916 1.00 3.62 C
+ATOM 1542 C GLY A 250 -25.275 8.530 -17.860 1.00 3.51 C
+ATOM 1543 O GLY A 250 -24.859 7.599 -17.176 1.00 3.83 O
+ATOM 1544 N ILE A 251 -24.816 9.783 -17.710 1.00 3.22 N
+ATOM 1545 CA ILE A 251 -23.678 10.110 -16.874 1.00 2.95 C
+ATOM 1546 C ILE A 251 -23.971 11.317 -16.009 1.00 2.95 C
+ATOM 1547 O ILE A 251 -24.715 12.222 -16.389 1.00 2.70 O
+ATOM 1548 CB ILE A 251 -22.432 10.365 -17.723 1.00 2.83 C
+ATOM 1549 CG1 ILE A 251 -21.134 10.509 -16.908 1.00 0.00 C
+ATOM 1550 CG2 ILE A 251 -22.642 11.576 -18.668 1.00 0.00 C
+ATOM 1551 CD1 ILE A 251 -19.929 10.360 -17.834 1.00 0.00 C
+ATOM 1552 N ALA A 252 -23.382 11.387 -14.800 1.00 0.00 N
+ATOM 1553 CA ALA A 252 -23.427 12.596 -14.009 1.00 0.00 C
+ATOM 1554 C ALA A 252 -22.698 13.782 -14.638 1.00 0.00 C
+ATOM 1555 O ALA A 252 -21.480 13.780 -14.818 1.00 0.00 O
+ATOM 1556 CB ALA A 252 -22.856 12.365 -12.604 1.00 0.00 C
+ATOM 1557 N LYS A 253 -23.467 14.842 -14.967 1.00 0.00 N
+ATOM 1558 CA LYS A 253 -22.976 16.165 -15.329 1.00 0.00 C
+ATOM 1559 C LYS A 253 -22.038 16.199 -16.528 1.00 0.00 C
+ATOM 1560 O LYS A 253 -20.988 16.832 -16.489 1.00 0.00 O
+ATOM 1561 CB LYS A 253 -22.313 16.874 -14.118 1.00 0.00 C
+ATOM 1562 CG LYS A 253 -23.235 17.018 -12.899 1.00 0.00 C
+ATOM 1563 CD LYS A 253 -22.526 17.734 -11.738 1.00 0.00 C
+ATOM 1564 CE LYS A 253 -23.437 17.937 -10.525 1.00 0.00 C
+ATOM 1565 NZ LYS A 253 -22.704 18.628 -9.442 1.00 0.00 N
+ATOM 1566 N TYR A 254 -22.394 15.482 -17.617 1.00 0.00 N
+ATOM 1567 CA TYR A 254 -21.613 15.371 -18.848 1.00 0.00 C
+ATOM 1568 C TYR A 254 -20.334 14.568 -18.699 1.00 0.00 C
+ATOM 1569 O TYR A 254 -19.669 14.250 -19.679 1.00 0.00 O
+ATOM 1570 CB TYR A 254 -21.289 16.730 -19.536 1.00 0.00 C
+ATOM 1571 CG TYR A 254 -22.563 17.455 -19.843 1.00 0.00 C
+ATOM 1572 CD1 TYR A 254 -23.063 18.423 -18.957 1.00 0.00 C
+ATOM 1573 CD2 TYR A 254 -23.294 17.146 -21.001 1.00 0.00 C
+ATOM 1574 CE1 TYR A 254 -24.290 19.048 -19.208 1.00 0.00 C
+ATOM 1575 CE2 TYR A 254 -24.517 17.782 -21.261 1.00 0.00 C
+ATOM 1576 CZ TYR A 254 -25.016 18.727 -20.357 1.00 0.00 C
+ATOM 1577 OH TYR A 254 -26.249 19.360 -20.594 1.00 0.00 O
+ATOM 1578 N GLY A 255 -19.954 14.190 -17.466 1.00 0.00 N
+ATOM 1579 CA GLY A 255 -18.743 13.441 -17.225 1.00 0.00 C
+ATOM 1580 C GLY A 255 -17.488 14.235 -17.276 1.00 0.00 C
+ATOM 1581 O GLY A 255 -16.432 13.631 -17.293 1.00 0.00 O
+ATOM 1582 N VAL A 256 -17.538 15.570 -17.341 1.00 2.00 N
+ATOM 1583 CA VAL A 256 -16.340 16.389 -17.351 1.00 2.00 C
+ATOM 1584 C VAL A 256 -16.493 17.369 -16.216 1.00 2.00 C
+ATOM 1585 O VAL A 256 -17.375 18.226 -16.249 1.00 2.00 O
+ATOM 1586 CB VAL A 256 -16.158 17.151 -18.667 1.00 2.00 C
+ATOM 1587 CG1 VAL A 256 -14.854 17.976 -18.632 1.00 0.00 C
+ATOM 1588 CG2 VAL A 256 -16.135 16.162 -19.853 1.00 0.00 C
+ATOM 1589 N LEU A 257 -15.660 17.261 -15.169 1.00 2.00 N
+ATOM 1590 CA LEU A 257 -15.753 18.174 -14.058 1.00 2.08 C
+ATOM 1591 C LEU A 257 -14.324 18.510 -13.588 1.00 2.52 C
+ATOM 1592 O LEU A 257 -13.602 17.577 -13.134 1.00 2.63 O
+ATOM 1593 CB LEU A 257 -16.637 17.585 -12.926 1.00 2.16 C
+ATOM 1594 CG LEU A 257 -16.640 18.366 -11.595 1.00 0.00 C
+ATOM 1595 CD1 LEU A 257 -17.066 19.831 -11.778 1.00 0.00 C
+ATOM 1596 CD2 LEU A 257 -17.554 17.732 -10.541 1.00 0.00 C
+ATOM 1597 OXT LEU A 257 -13.945 19.718 -13.703 1.00 0.00 O
+TER 1598 LEU A 257
+END
diff --git a/modelling/tests/test_pipeline.py b/modelling/tests/test_pipeline.py
index 589bc3a8494cadfba189f5f5a7577bff9845a1f1..1afff3ac00b237a201f872fa9bfc8f41a0f855bf 100644
--- a/modelling/tests/test_pipeline.py
+++ b/modelling/tests/test_pipeline.py
@@ -319,6 +319,40 @@ class PipelineTests(unittest.TestCase):
mhandle = self.getRawModelOligo("data/5d52-1_cut")
self.checkFinalModel(mhandle, exp_gaps=2, num_chains=2)
+ def testCheckFinalModelRingPunches(self):
+ '''Check that we report models with ring punches.'''
+ # setup log
+ log = _FetchLog()
+ ost.PushLogSink(log)
+ ost.PushVerbosityLevel(1)
+ # setup raw model
+ mhandle = self.getMockModel(io.LoadPDB('data/1ITX-A-11_sidechain.pdb'))
+ # check
+ log.messages['WARNING'] = list()
+ modelling.CheckFinalModel(mhandle)
+ self.assertEqual(len(log.messages['WARNING']), 1)
+ self.assertEqual(log.messages['WARNING'][0],
+ "Ring of A.TYR321 has been punched!")
+
+ def testCheckFinalModelClash(self):
+ '''Check that we report models with stereo-chemical problems.'''
+ # setup log
+ log = _FetchLog()
+ ost.PushLogSink(log)
+ ost.PushVerbosityLevel(3)
+ # setup raw model
+ mhandle = self.getMockModel(io.LoadPDB('data/1K5C-A-16_clash.pdb'))
+ # check
+ log.messages['INFO'] = list()
+ modelling.CheckFinalModel(mhandle)
+ self.assertEqual(len(log.messages['INFO']), 2)
+ self.assertEqual(log.messages['INFO'][0],
+ "Stereo-chemical problem in backbone of residue "\
+ "A.GLY79")
+ self.assertEqual(log.messages['INFO'][1],
+ "Stereo-chemical problem in sidechain of residue "\
+ "A.HIS98")
+
def testMolProbity(self):
'''Check if binding to molprobity works.'''
# do we have it?
diff --git a/scoring/src/clash_score.cc b/scoring/src/clash_score.cc
index cbb74fc41979b1f660c30cb7440b6767eacc50e3..e852da6f647bfe62d18fcd76136618d56d4e3451 100644
--- a/scoring/src/clash_score.cc
+++ b/scoring/src/clash_score.cc
@@ -181,7 +181,7 @@ Real ClashScorer::CalculateInternalScore(const loop::BackboneList& bb_list) cons
}
}
}
- return clash_score;
+ return clash_score / size;
}
Real ClashScorer::CalculateScore(const loop::BackboneList& bb_list,
@@ -270,11 +270,9 @@ Real ClashScorer::CalculateScore(const loop::BackboneList& bb_list,
}
}
}
- // now all the loop internal interactions
- score += CalculateInternalScore(bb_list);
- // average sum and return score
+ // average sum and return with added internal interactions
if (bb_list_size > 0) score /= bb_list_size;
- return score;
+ return score + CalculateInternalScore(bb_list);
}
void ClashScorer::AttachEnvironment(BackboneScoreEnv& env) {
diff --git a/scoring/tests/CMakeLists.txt b/scoring/tests/CMakeLists.txt
index e984b61659a394809609010d153a1392de90ce25..679fbd51700aefc082a0008981554c9e6b9116e5 100644
--- a/scoring/tests/CMakeLists.txt
+++ b/scoring/tests/CMakeLists.txt
@@ -6,6 +6,7 @@ set(SCORING_UNIT_TESTS
set(SCORING_TEST_DATA
data/3DEFA.pdb
+ data/clash_test.pdb
)
promod3_unittest(MODULE scoring
diff --git a/scoring/tests/data/clash_test.pdb b/scoring/tests/data/clash_test.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..8e8aa0e05826413660eacf66b7238b27016c00af
--- /dev/null
+++ b/scoring/tests/data/clash_test.pdb
@@ -0,0 +1,1599 @@
+ATOM 1 N ALA A 1 10.147 -11.441 -22.536 1.00 3.48 N
+ATOM 2 CA ALA A 1 9.326 -12.608 -22.089 1.00 3.19 C
+ATOM 3 C ALA A 1 7.889 -12.497 -22.564 1.00 3.22 C
+ATOM 4 O ALA A 1 7.353 -11.396 -22.620 1.00 3.06 O
+ATOM 5 CB ALA A 1 9.380 -12.689 -20.544 1.00 3.17 C
+ATOM 6 N THR A 2 7.244 -13.621 -22.931 1.00 2.88 N
+ATOM 7 CA THR A 2 5.848 -13.620 -23.358 1.00 2.92 C
+ATOM 8 C THR A 2 5.167 -14.709 -22.579 1.00 3.27 C
+ATOM 9 O THR A 2 5.616 -15.851 -22.590 1.00 3.46 O
+ATOM 10 CB THR A 2 5.634 -13.867 -24.849 1.00 3.00 C
+ATOM 11 OG1 THR A 2 6.170 -12.783 -25.598 1.00 0.00 O
+ATOM 12 CG2 THR A 2 4.143 -13.939 -25.218 1.00 0.00 C
+ATOM 13 N VAL A 3 4.088 -14.375 -21.851 1.00 3.19 N
+ATOM 14 CA VAL A 3 3.355 -15.315 -21.025 1.00 3.76 C
+ATOM 15 C VAL A 3 1.962 -15.455 -21.580 1.00 3.99 C
+ATOM 16 O VAL A 3 1.161 -14.521 -21.552 1.00 4.47 O
+ATOM 17 CB VAL A 3 3.275 -14.879 -19.564 1.00 3.58 C
+ATOM 18 CG1 VAL A 3 2.408 -15.842 -18.720 1.00 0.00 C
+ATOM 19 CG2 VAL A 3 4.708 -14.829 -19.002 1.00 0.00 C
+ATOM 20 N THR A 4 1.648 -16.662 -22.083 1.00 3.51 N
+ATOM 21 CA THR A 4 0.314 -17.041 -22.523 1.00 3.42 C
+ATOM 22 C THR A 4 -0.408 -17.625 -21.339 1.00 3.14 C
+ATOM 23 O THR A 4 -0.158 -18.759 -20.934 1.00 2.70 O
+ATOM 24 CB THR A 4 0.320 -18.088 -23.630 1.00 3.63 C
+ATOM 25 OG1 THR A 4 1.022 -17.582 -24.755 1.00 0.00 O
+ATOM 26 CG2 THR A 4 -1.102 -18.421 -24.113 1.00 0.00 C
+ATOM 27 N MET A 5 -1.318 -16.855 -20.715 1.00 2.85 N
+ATOM 28 CA MET A 5 -2.103 -17.339 -19.596 1.00 2.59 C
+ATOM 29 C MET A 5 -3.209 -18.269 -20.087 1.00 2.90 C
+ATOM 30 O MET A 5 -3.934 -17.953 -21.027 1.00 3.08 O
+ATOM 31 CB MET A 5 -2.689 -16.167 -18.776 1.00 2.39 C
+ATOM 32 CG MET A 5 -3.503 -16.554 -17.520 1.00 0.00 C
+ATOM 33 SD MET A 5 -2.595 -17.532 -16.282 1.00 0.00 S
+ATOM 34 CE MET A 5 -1.571 -16.160 -15.674 1.00 0.00 C
+ATOM 35 N ALA A 6 -3.327 -19.463 -19.478 1.00 3.13 N
+ATOM 36 CA ALA A 6 -4.230 -20.502 -19.940 1.00 3.27 C
+ATOM 37 C ALA A 6 -5.155 -21.016 -18.850 1.00 3.64 C
+ATOM 38 O ALA A 6 -5.723 -22.097 -18.973 1.00 3.42 O
+ATOM 39 CB ALA A 6 -3.430 -21.678 -20.541 1.00 3.30 C
+ATOM 40 N GLY A 7 -5.348 -20.261 -17.745 1.00 4.20 N
+ATOM 41 CA GLY A 7 -6.327 -20.634 -16.725 1.00 4.81 C
+ATOM 42 C GLY A 7 -7.735 -20.213 -17.057 1.00 5.15 C
+ATOM 43 O GLY A 7 -7.962 -19.073 -17.437 1.00 5.02 O
+ATOM 44 N ASP A 8 -8.722 -21.106 -16.857 1.00 5.52 N
+ATOM 45 CA ASP A 8 -10.129 -20.768 -16.923 1.00 6.23 C
+ATOM 46 C ASP A 8 -10.651 -20.875 -15.495 1.00 5.60 C
+ATOM 47 O ASP A 8 -10.509 -21.905 -14.830 1.00 5.62 O
+ATOM 48 CB ASP A 8 -10.879 -21.718 -17.909 1.00 6.05 C
+ATOM 49 CG ASP A 8 -12.318 -21.286 -18.162 1.00 0.00 C
+ATOM 50 OD1 ASP A 8 -12.679 -20.164 -17.729 1.00 0.00 O
+ATOM 51 OD2 ASP A 8 -13.061 -22.090 -18.782 1.00 0.00 O
+ATOM 52 N ILE A 9 -11.212 -19.772 -14.969 1.00 5.16 N
+ATOM 53 CA ILE A 9 -11.698 -19.700 -13.607 1.00 4.83 C
+ATOM 54 C ILE A 9 -13.209 -19.594 -13.617 1.00 4.63 C
+ATOM 55 O ILE A 9 -13.822 -18.720 -14.224 1.00 4.84 O
+ATOM 56 CB ILE A 9 -11.087 -18.523 -12.843 1.00 4.34 C
+ATOM 57 CG1 ILE A 9 -9.576 -18.730 -12.608 1.00 0.00 C
+ATOM 58 CG2 ILE A 9 -11.888 -18.165 -11.561 1.00 0.00 C
+ATOM 59 CD1 ILE A 9 -9.253 -19.881 -11.664 1.00 0.00 C
+ATOM 60 N THR A 10 -13.890 -20.476 -12.869 1.00 4.77 N
+ATOM 61 CA THR A 10 -15.339 -20.391 -12.748 1.00 5.06 C
+ATOM 62 C THR A 10 -15.737 -19.285 -11.787 1.00 4.81 C
+ATOM 63 O THR A 10 -15.595 -19.406 -10.570 1.00 4.58 O
+ATOM 64 CB THR A 10 -15.981 -21.686 -12.276 1.00 5.14 C
+ATOM 65 OG1 THR A 10 -15.492 -22.771 -13.050 1.00 0.00 O
+ATOM 66 CG2 THR A 10 -17.501 -21.640 -12.482 1.00 0.00 C
+ATOM 67 N PHE A 11 -16.229 -18.143 -12.312 1.00 4.58 N
+ATOM 68 CA PHE A 11 -16.748 -17.042 -11.517 1.00 4.56 C
+ATOM 69 C PHE A 11 -17.968 -17.408 -10.671 1.00 4.80 C
+ATOM 70 O PHE A 11 -18.798 -18.234 -11.044 1.00 4.86 O
+ATOM 71 CB PHE A 11 -17.004 -15.758 -12.358 1.00 4.69 C
+ATOM 72 CG PHE A 11 -18.113 -15.927 -13.359 1.00 0.00 C
+ATOM 73 CD1 PHE A 11 -19.437 -15.625 -12.999 1.00 0.00 C
+ATOM 74 CD2 PHE A 11 -17.848 -16.399 -14.654 1.00 0.00 C
+ATOM 75 CE1 PHE A 11 -20.485 -15.817 -13.906 1.00 0.00 C
+ATOM 76 CE2 PHE A 11 -18.895 -16.590 -15.566 1.00 0.00 C
+ATOM 77 CZ PHE A 11 -20.214 -16.303 -15.191 1.00 0.00 C
+ATOM 78 N ALA A 12 -18.089 -16.798 -9.480 1.00 0.00 N
+ATOM 79 CA ALA A 12 -19.145 -17.130 -8.560 1.00 0.00 C
+ATOM 80 C ALA A 12 -19.224 -16.055 -7.491 1.00 0.00 C
+ATOM 81 O ALA A 12 -18.468 -15.087 -7.511 1.00 0.00 O
+ATOM 82 CB ALA A 12 -18.919 -18.523 -7.925 1.00 0.00 C
+ATOM 83 N LYS A 13 -20.140 -16.232 -6.511 1.00 0.00 N
+ATOM 84 CA LYS A 13 -20.271 -15.425 -5.299 1.00 0.00 C
+ATOM 85 C LYS A 13 -19.101 -15.585 -4.326 1.00 0.00 C
+ATOM 86 O LYS A 13 -18.996 -14.878 -3.328 1.00 0.00 O
+ATOM 87 CB LYS A 13 -21.517 -15.865 -4.489 1.00 0.00 C
+ATOM 88 CG LYS A 13 -22.869 -15.548 -5.139 1.00 0.00 C
+ATOM 89 CD LYS A 13 -24.033 -15.956 -4.216 1.00 0.00 C
+ATOM 90 CE LYS A 13 -25.416 -15.527 -4.723 1.00 0.00 C
+ATOM 91 NZ LYS A 13 -26.461 -15.954 -3.763 1.00 0.00 N
+ATOM 92 N THR A 14 -18.228 -16.577 -4.595 1.00 0.00 N
+ATOM 93 CA THR A 14 -17.052 -16.965 -3.843 1.00 0.00 C
+ATOM 94 C THR A 14 -16.144 -15.791 -3.519 1.00 0.00 C
+ATOM 95 O THR A 14 -15.998 -14.859 -4.307 1.00 0.00 O
+ATOM 96 CB THR A 14 -16.292 -18.035 -4.619 1.00 0.00 C
+ATOM 97 OG1 THR A 14 -15.179 -18.569 -3.892 1.00 0.00 O
+ATOM 98 CG2 THR A 14 -15.717 -17.524 -5.939 1.00 0.00 C
+ATOM 99 N THR A 15 -15.482 -15.823 -2.343 1.00 0.00 N
+ATOM 100 CA THR A 15 -14.421 -14.884 -2.036 1.00 0.00 C
+ATOM 101 C THR A 15 -13.176 -15.302 -2.768 1.00 0.00 C
+ATOM 102 O THR A 15 -13.193 -16.242 -3.558 1.00 0.00 O
+ATOM 103 CB THR A 15 -14.125 -14.701 -0.563 1.00 0.00 C
+ATOM 104 OG1 THR A 15 -13.830 -15.957 0.032 1.00 0.00 O
+ATOM 105 CG2 THR A 15 -15.393 -14.117 0.080 1.00 0.00 C
+ATOM 106 N LEU A 16 -12.076 -14.573 -2.568 1.00 0.00 N
+ATOM 107 CA LEU A 16 -10.968 -14.636 -3.493 1.00 0.00 C
+ATOM 108 C LEU A 16 -9.687 -15.191 -2.880 1.00 0.00 C
+ATOM 109 O LEU A 16 -9.243 -14.686 -1.852 1.00 0.00 O
+ATOM 110 CB LEU A 16 -10.848 -13.183 -4.019 1.00 0.00 C
+ATOM 111 CG LEU A 16 -9.674 -12.835 -4.930 1.00 0.00 C
+ATOM 112 CD1 LEU A 16 -10.103 -12.644 -6.399 1.00 0.00 C
+ATOM 113 CD2 LEU A 16 -9.059 -11.566 -4.430 1.00 0.00 C
+ATOM 114 N ASP A 17 -9.094 -16.238 -3.537 1.00 0.00 N
+ATOM 115 CA ASP A 17 -8.120 -17.168 -2.958 1.00 0.00 C
+ATOM 116 C ASP A 17 -6.707 -17.424 -3.577 1.00 0.00 C
+ATOM 117 O ASP A 17 -5.944 -18.155 -2.953 1.00 0.00 O
+ATOM 118 CB ASP A 17 -8.813 -18.554 -2.971 1.00 0.00 C
+ATOM 119 CG ASP A 17 -10.178 -18.563 -2.288 1.00 0.00 C
+ATOM 120 OD1 ASP A 17 -10.385 -17.843 -1.275 1.00 0.00 O
+ATOM 121 OD2 ASP A 17 -11.029 -19.345 -2.786 1.00 0.00 O
+ATOM 122 N GLY A 18 -6.271 -16.872 -4.753 1.00 0.00 N
+ATOM 123 CA GLY A 18 -4.874 -17.004 -5.266 1.00 0.00 C
+ATOM 124 C GLY A 18 -3.863 -15.980 -4.738 1.00 0.00 C
+ATOM 125 O GLY A 18 -3.783 -15.767 -3.533 1.00 0.00 O
+ATOM 126 N PRO A 19 -3.104 -15.298 -5.637 1.00 0.00 N
+ATOM 127 CA PRO A 19 -2.578 -13.972 -5.256 1.00 0.00 C
+ATOM 128 C PRO A 19 -2.299 -13.038 -6.447 1.00 0.00 C
+ATOM 129 O PRO A 19 -2.514 -13.404 -7.602 1.00 0.00 O
+ATOM 130 CB PRO A 19 -1.244 -14.334 -4.615 1.00 0.00 C
+ATOM 131 CG PRO A 19 -0.715 -15.447 -5.548 1.00 0.00 C
+ATOM 132 CD PRO A 19 -1.982 -16.088 -6.178 1.00 0.00 C
+ATOM 133 N LEU A 20 -1.896 -11.773 -6.163 1.00 4.53 N
+ATOM 134 CA LEU A 20 -1.387 -10.783 -7.113 1.00 5.05 C
+ATOM 135 C LEU A 20 -0.098 -11.178 -7.834 1.00 5.35 C
+ATOM 136 O LEU A 20 0.855 -11.676 -7.235 1.00 5.50 O
+ATOM 137 CB LEU A 20 -1.178 -9.429 -6.364 1.00 5.15 C
+ATOM 138 CG LEU A 20 -0.350 -8.295 -7.022 1.00 0.00 C
+ATOM 139 CD1 LEU A 20 -1.070 -7.688 -8.219 1.00 0.00 C
+ATOM 140 CD2 LEU A 20 -0.144 -7.180 -5.985 1.00 0.00 C
+ATOM 141 N PHE A 21 -0.021 -10.912 -9.158 1.00 5.36 N
+ATOM 142 CA PHE A 21 1.183 -11.125 -9.941 1.00 5.44 C
+ATOM 143 C PHE A 21 2.000 -9.840 -10.057 1.00 5.89 C
+ATOM 144 O PHE A 21 1.554 -8.840 -10.616 1.00 5.80 O
+ATOM 145 CB PHE A 21 0.836 -11.606 -11.373 1.00 5.31 C
+ATOM 146 CG PHE A 21 0.223 -12.979 -11.354 1.00 0.00 C
+ATOM 147 CD1 PHE A 21 -1.167 -13.149 -11.467 1.00 0.00 C
+ATOM 148 CD2 PHE A 21 1.040 -14.117 -11.253 1.00 0.00 C
+ATOM 149 CE1 PHE A 21 -1.732 -14.431 -11.470 1.00 0.00 C
+ATOM 150 CE2 PHE A 21 0.479 -15.402 -11.258 1.00 0.00 C
+ATOM 151 CZ PHE A 21 -0.909 -15.559 -11.362 1.00 0.00 C
+ATOM 152 N THR A 22 3.245 -9.843 -9.544 1.00 6.05 N
+ATOM 153 CA THR A 22 4.097 -8.654 -9.454 1.00 7.00 C
+ATOM 154 C THR A 22 5.231 -8.711 -10.450 1.00 6.28 C
+ATOM 155 O THR A 22 5.954 -9.700 -10.541 1.00 6.19 O
+ATOM 156 CB THR A 22 4.734 -8.496 -8.076 1.00 7.67 C
+ATOM 157 OG1 THR A 22 3.716 -8.277 -7.114 1.00 0.00 O
+ATOM 158 CG2 THR A 22 5.673 -7.281 -7.979 1.00 0.00 C
+ATOM 159 N ILE A 23 5.426 -7.619 -11.218 1.00 5.67 N
+ATOM 160 CA ILE A 23 6.501 -7.471 -12.183 1.00 5.63 C
+ATOM 161 C ILE A 23 7.419 -6.322 -11.824 1.00 5.34 C
+ATOM 162 O ILE A 23 7.007 -5.161 -11.849 1.00 5.10 O
+ATOM 163 CB ILE A 23 5.952 -7.198 -13.588 1.00 5.86 C
+ATOM 164 CG1 ILE A 23 5.130 -8.399 -14.107 1.00 0.00 C
+ATOM 165 CG2 ILE A 23 7.090 -6.860 -14.579 1.00 0.00 C
+ATOM 166 CD1 ILE A 23 5.942 -9.698 -14.162 1.00 0.00 C
+ATOM 167 N ASP A 24 8.704 -6.648 -11.576 1.00 0.00 N
+ATOM 168 CA ASP A 24 9.805 -5.710 -11.520 1.00 0.00 C
+ATOM 169 C ASP A 24 10.752 -6.200 -12.621 1.00 0.00 C
+ATOM 170 O ASP A 24 11.488 -7.180 -12.476 1.00 0.00 O
+ATOM 171 CB ASP A 24 10.397 -5.757 -10.080 1.00 0.00 C
+ATOM 172 CG ASP A 24 11.420 -4.669 -9.781 1.00 0.00 C
+ATOM 173 OD1 ASP A 24 11.827 -3.935 -10.714 1.00 0.00 O
+ATOM 174 OD2 ASP A 24 11.809 -4.572 -8.588 1.00 0.00 O
+ATOM 175 N GLY A 25 10.659 -5.584 -13.825 1.00 4.19 N
+ATOM 176 CA GLY A 25 11.338 -6.127 -14.998 1.00 4.28 C
+ATOM 177 C GLY A 25 10.748 -5.644 -16.299 1.00 4.46 C
+ATOM 178 O GLY A 25 9.627 -5.130 -16.370 1.00 4.82 O
+ATOM 179 N THR A 26 11.518 -5.780 -17.393 1.00 4.28 N
+ATOM 180 CA THR A 26 11.243 -5.127 -18.668 1.00 3.83 C
+ATOM 181 C THR A 26 11.055 -6.135 -19.790 1.00 3.86 C
+ATOM 182 O THR A 26 11.451 -7.294 -19.699 1.00 3.53 O
+ATOM 183 CB THR A 26 12.334 -4.131 -19.074 1.00 4.07 C
+ATOM 184 OG1 THR A 26 13.603 -4.757 -19.191 1.00 0.00 O
+ATOM 185 CG2 THR A 26 12.477 -3.050 -17.994 1.00 0.00 C
+ATOM 186 N GLY A 27 10.391 -5.721 -20.899 1.00 3.39 N
+ATOM 187 CA GLY A 27 10.239 -6.565 -22.087 1.00 3.39 C
+ATOM 188 C GLY A 27 9.269 -7.703 -21.922 1.00 3.44 C
+ATOM 189 O GLY A 27 9.528 -8.836 -22.328 1.00 3.42 O
+ATOM 190 N ILE A 28 8.126 -7.440 -21.276 1.00 3.65 N
+ATOM 191 CA ILE A 28 7.217 -8.484 -20.844 1.00 3.58 C
+ATOM 192 C ILE A 28 5.866 -8.332 -21.506 1.00 4.01 C
+ATOM 193 O ILE A 28 5.180 -7.333 -21.317 1.00 4.14 O
+ATOM 194 CB ILE A 28 7.073 -8.457 -19.326 1.00 3.55 C
+ATOM 195 CG1 ILE A 28 8.424 -8.849 -18.685 1.00 0.00 C
+ATOM 196 CG2 ILE A 28 5.948 -9.409 -18.860 1.00 0.00 C
+ATOM 197 CD1 ILE A 28 8.482 -8.603 -17.177 1.00 0.00 C
+ATOM 198 N ASN A 29 5.430 -9.354 -22.269 1.00 4.06 N
+ATOM 199 CA ASN A 29 4.068 -9.443 -22.755 1.00 4.09 C
+ATOM 200 C ASN A 29 3.315 -10.453 -21.922 1.00 4.68 C
+ATOM 201 O ASN A 29 3.612 -11.644 -21.933 1.00 4.40 O
+ATOM 202 CB ASN A 29 3.956 -9.938 -24.216 1.00 3.83 C
+ATOM 203 CG ASN A 29 4.658 -8.980 -25.163 1.00 0.00 C
+ATOM 204 OD1 ASN A 29 4.267 -7.822 -25.320 1.00 0.00 O
+ATOM 205 ND2 ASN A 29 5.709 -9.488 -25.846 1.00 0.00 N
+ATOM 206 N PHE A 30 2.292 -10.011 -21.193 1.00 4.90 N
+ATOM 207 CA PHE A 30 1.360 -10.905 -20.546 1.00 5.18 C
+ATOM 208 C PHE A 30 0.117 -10.912 -21.407 1.00 5.62 C
+ATOM 209 O PHE A 30 -0.492 -9.870 -21.647 1.00 5.28 O
+ATOM 210 CB PHE A 30 1.047 -10.410 -19.112 1.00 5.37 C
+ATOM 211 CG PHE A 30 2.018 -10.891 -18.054 1.00 0.00 C
+ATOM 212 CD1 PHE A 30 3.293 -11.419 -18.324 1.00 0.00 C
+ATOM 213 CD2 PHE A 30 1.598 -10.839 -16.717 1.00 0.00 C
+ATOM 214 CE1 PHE A 30 4.105 -11.916 -17.292 1.00 0.00 C
+ATOM 215 CE2 PHE A 30 2.403 -11.318 -15.679 1.00 0.00 C
+ATOM 216 CZ PHE A 30 3.648 -11.879 -15.969 1.00 0.00 C
+ATOM 217 N VAL A 31 -0.272 -12.086 -21.935 1.00 20.00 N
+ATOM 218 CA VAL A 31 -1.406 -12.191 -22.832 1.00 20.00 C
+ATOM 219 C VAL A 31 -2.316 -13.304 -22.352 1.00 20.00 C
+ATOM 220 O VAL A 31 -1.900 -14.447 -22.163 1.00 6.65 O
+ATOM 221 CB VAL A 31 -1.000 -12.415 -24.293 1.00 20.00 C
+ATOM 222 CG1 VAL A 31 -2.250 -12.452 -25.195 1.00 0.00 C
+ATOM 223 CG2 VAL A 31 -0.066 -11.278 -24.760 1.00 0.00 C
+ATOM 224 N GLY A 32 -3.611 -13.006 -22.127 1.00 5.34 N
+ATOM 225 CA GLY A 32 -4.622 -14.046 -21.979 1.00 4.73 C
+ATOM 226 C GLY A 32 -4.929 -14.700 -23.300 1.00 4.24 C
+ATOM 227 O GLY A 32 -5.068 -14.033 -24.323 1.00 3.61 O
+ATOM 228 N ALA A 33 -5.066 -16.039 -23.333 1.00 3.94 N
+ATOM 229 CA ALA A 33 -5.581 -16.696 -24.520 1.00 3.87 C
+ATOM 230 C ALA A 33 -7.089 -16.458 -24.657 1.00 4.00 C
+ATOM 231 O ALA A 33 -7.768 -15.983 -23.749 1.00 3.25 O
+ATOM 232 CB ALA A 33 -5.206 -18.198 -24.555 1.00 3.56 C
+ATOM 233 N ASP A 34 -7.679 -16.727 -25.828 1.00 4.10 N
+ATOM 234 CA ASP A 34 -9.105 -16.559 -25.999 1.00 4.69 C
+ATOM 235 C ASP A 34 -9.881 -17.569 -25.101 1.00 4.55 C
+ATOM 236 O ASP A 34 -9.495 -18.731 -24.976 1.00 4.32 O
+ATOM 237 CB ASP A 34 -9.442 -16.643 -27.514 1.00 5.01 C
+ATOM 238 CG ASP A 34 -8.679 -15.657 -28.427 1.00 0.00 C
+ATOM 239 OD1 ASP A 34 -8.045 -14.647 -28.000 1.00 0.00 O
+ATOM 240 OD2 ASP A 34 -8.717 -15.923 -29.652 1.00 0.00 O
+ATOM 241 N HIS A 35 -10.945 -17.111 -24.397 1.00 4.42 N
+ATOM 242 CA HIS A 35 -11.677 -17.842 -23.354 1.00 3.94 C
+ATOM 243 C HIS A 35 -10.950 -17.929 -22.021 1.00 4.17 C
+ATOM 244 O HIS A 35 -11.290 -18.745 -21.171 1.00 4.17 O
+ATOM 245 CB HIS A 35 -12.167 -19.265 -23.727 1.00 0.00 C
+ATOM 246 CG HIS A 35 -12.753 -19.345 -25.092 1.00 0.00 C
+ATOM 247 ND1 HIS A 35 -14.048 -18.925 -25.323 1.00 0.00 N
+ATOM 248 CD2 HIS A 35 -12.168 -19.730 -26.254 1.00 0.00 C
+ATOM 249 CE1 HIS A 35 -14.226 -19.062 -26.619 1.00 0.00 C
+ATOM 250 NE2 HIS A 35 -13.117 -19.543 -27.232 1.00 0.00 N
+ATOM 251 N ILE A 36 -9.930 -17.085 -21.789 1.00 3.79 N
+ATOM 252 CA ILE A 36 -9.170 -17.112 -20.557 1.00 4.13 C
+ATOM 253 C ILE A 36 -9.645 -16.064 -19.627 1.00 4.01 C
+ATOM 254 O ILE A 36 -9.549 -14.851 -19.822 1.00 4.61 O
+ATOM 255 CB ILE A 36 -7.676 -17.003 -20.792 1.00 3.98 C
+ATOM 256 CG1 ILE A 36 -7.240 -18.267 -21.574 1.00 0.00 C
+ATOM 257 CG2 ILE A 36 -6.819 -16.769 -19.520 1.00 0.00 C
+ATOM 258 CD1 ILE A 36 -7.619 -19.608 -20.935 1.00 0.00 C
+ATOM 259 N PHE A 37 -10.147 -16.593 -18.520 1.00 3.83 N
+ATOM 260 CA PHE A 37 -10.611 -15.820 -17.440 1.00 3.37 C
+ATOM 261 C PHE A 37 -9.603 -16.064 -16.355 1.00 3.21 C
+ATOM 262 O PHE A 37 -9.571 -17.106 -15.698 1.00 2.58 O
+ATOM 263 CB PHE A 37 -12.047 -16.286 -17.147 1.00 3.31 C
+ATOM 264 CG PHE A 37 -12.723 -15.442 -16.126 1.00 0.00 C
+ATOM 265 CD1 PHE A 37 -13.347 -14.226 -16.435 1.00 0.00 C
+ATOM 266 CD2 PHE A 37 -12.820 -15.942 -14.834 1.00 0.00 C
+ATOM 267 CE1 PHE A 37 -14.081 -13.547 -15.458 1.00 0.00 C
+ATOM 268 CE2 PHE A 37 -13.545 -15.285 -13.845 1.00 0.00 C
+ATOM 269 CZ PHE A 37 -14.186 -14.091 -14.176 1.00 0.00 C
+ATOM 270 N ASP A 38 -8.739 -15.039 -16.176 1.00 2.62 N
+ATOM 271 CA ASP A 38 -8.219 -14.707 -14.891 1.00 2.59 C
+ATOM 272 C ASP A 38 -9.249 -13.772 -14.318 1.00 2.49 C
+ATOM 273 O ASP A 38 -10.383 -13.637 -14.789 1.00 2.17 O
+ATOM 274 CB ASP A 38 -6.715 -14.272 -14.793 1.00 2.30 C
+ATOM 275 CG ASP A 38 -6.452 -12.776 -14.818 1.00 0.00 C
+ATOM 276 OD1 ASP A 38 -6.358 -12.237 -13.684 1.00 0.00 O
+ATOM 277 OD2 ASP A 38 -6.336 -12.185 -15.912 1.00 0.00 O
+ATOM 278 N GLY A 39 -8.939 -13.232 -13.151 1.00 0.00 N
+ATOM 279 CA GLY A 39 -10.006 -13.130 -12.198 1.00 0.00 C
+ATOM 280 C GLY A 39 -9.863 -14.416 -11.375 1.00 0.00 C
+ATOM 281 O GLY A 39 -10.211 -15.312 -12.209 1.00 0.00 O
+ATOM 282 N ASN A 40 -9.359 -14.902 -8.473 1.00 0.00 N
+ATOM 283 CA ASN A 40 -9.661 -15.963 -7.356 1.00 0.00 C
+ATOM 284 C ASN A 40 -8.888 -17.258 -7.591 1.00 0.00 C
+ATOM 285 O ASN A 40 -7.660 -17.223 -7.610 1.00 0.00 O
+ATOM 286 CB ASN A 40 -11.205 -16.064 -6.983 1.00 0.00 C
+ATOM 287 CG ASN A 40 -11.603 -17.242 -6.096 1.00 0.00 C
+ATOM 288 OD1 ASN A 40 -10.850 -17.588 -5.201 1.00 0.00 O
+ATOM 289 ND2 ASN A 40 -12.686 -17.950 -6.456 1.00 0.00 N
+ATOM 290 N GLY A 41 -9.579 -18.415 -7.787 1.00 0.00 N
+ATOM 291 CA GLY A 41 -8.984 -19.700 -8.122 1.00 0.00 C
+ATOM 292 C GLY A 41 -8.048 -20.223 -7.088 1.00 0.00 C
+ATOM 293 O GLY A 41 -6.836 -20.094 -7.218 1.00 0.00 O
+ATOM 294 N ALA A 42 -8.601 -20.901 -6.070 1.00 0.00 N
+ATOM 295 CA ALA A 42 -7.880 -21.538 -4.989 1.00 0.00 C
+ATOM 296 C ALA A 42 -7.000 -22.724 -5.404 1.00 0.00 C
+ATOM 297 O ALA A 42 -7.195 -23.857 -4.965 1.00 0.00 O
+ATOM 298 CB ALA A 42 -8.946 -22.078 -4.022 1.00 0.00 C
+ATOM 299 N LEU A 43 -6.020 -22.493 -6.296 1.00 0.00 N
+ATOM 300 CA LEU A 43 -5.397 -23.577 -7.030 1.00 0.00 C
+ATOM 301 C LEU A 43 -4.233 -23.089 -7.895 1.00 0.00 C
+ATOM 302 O LEU A 43 -3.941 -23.645 -8.949 1.00 0.00 O
+ATOM 303 CB LEU A 43 -6.460 -24.336 -7.894 1.00 0.00 C
+ATOM 304 CG LEU A 43 -6.073 -25.751 -8.371 1.00 0.00 C
+ATOM 305 CD1 LEU A 43 -5.773 -26.645 -7.158 1.00 0.00 C
+ATOM 306 CD2 LEU A 43 -7.207 -26.365 -9.210 1.00 0.00 C
+ATOM 307 N TYR A 44 -3.496 -22.036 -7.468 1.00 0.00 N
+ATOM 308 CA TYR A 44 -2.300 -21.597 -8.203 1.00 0.00 C
+ATOM 309 C TYR A 44 -1.151 -21.460 -7.253 1.00 0.00 C
+ATOM 310 O TYR A 44 -0.133 -22.136 -7.360 1.00 0.00 O
+ATOM 311 CB TYR A 44 -2.433 -20.209 -8.899 1.00 0.00 C
+ATOM 312 CG TYR A 44 -3.435 -20.340 -9.988 1.00 0.00 C
+ATOM 313 CD1 TYR A 44 -4.765 -20.123 -9.643 1.00 0.00 C
+ATOM 314 CD2 TYR A 44 -3.116 -20.790 -11.283 1.00 0.00 C
+ATOM 315 CE1 TYR A 44 -5.784 -20.443 -10.535 1.00 0.00 C
+ATOM 316 CE2 TYR A 44 -4.145 -21.037 -12.209 1.00 0.00 C
+ATOM 317 CZ TYR A 44 -5.480 -20.884 -11.823 1.00 0.00 C
+ATOM 318 OH TYR A 44 -6.511 -21.213 -12.721 1.00 0.00 O
+ATOM 319 N TRP A 45 -1.319 -20.566 -6.276 1.00 0.00 N
+ATOM 320 CA TRP A 45 -0.393 -20.373 -5.202 1.00 0.00 C
+ATOM 321 C TRP A 45 -1.311 -20.157 -4.038 1.00 0.00 C
+ATOM 322 O TRP A 45 -2.504 -19.912 -4.228 1.00 0.00 O
+ATOM 323 CB TRP A 45 0.523 -19.134 -5.404 1.00 0.00 C
+ATOM 324 CG TRP A 45 1.363 -19.221 -6.666 1.00 0.00 C
+ATOM 325 CD1 TRP A 45 1.081 -18.786 -7.933 1.00 0.00 C
+ATOM 326 CD2 TRP A 45 2.581 -19.975 -6.756 1.00 0.00 C
+ATOM 327 NE1 TRP A 45 2.045 -19.230 -8.816 1.00 0.00 N
+ATOM 328 CE2 TRP A 45 2.964 -19.978 -8.114 1.00 0.00 C
+ATOM 329 CE3 TRP A 45 3.319 -20.662 -5.796 1.00 0.00 C
+ATOM 330 CZ2 TRP A 45 4.087 -20.678 -8.534 1.00 0.00 C
+ATOM 331 CZ3 TRP A 45 4.453 -21.369 -6.221 1.00 0.00 C
+ATOM 332 CH2 TRP A 45 4.830 -21.382 -7.573 1.00 0.00 C
+ATOM 333 N ASP A 46 -0.788 -20.263 -2.821 1.00 0.00 N
+ATOM 334 CA ASP A 46 -1.471 -19.938 -1.605 1.00 0.00 C
+ATOM 335 C ASP A 46 -1.440 -18.426 -1.355 1.00 0.00 C
+ATOM 336 O ASP A 46 -1.364 -17.604 -2.271 1.00 0.00 O
+ATOM 337 CB ASP A 46 -0.791 -20.764 -0.467 1.00 0.00 C
+ATOM 338 CG ASP A 46 0.739 -20.636 -0.399 1.00 0.00 C
+ATOM 339 OD1 ASP A 46 1.394 -20.251 -1.405 1.00 0.00 O
+ATOM 340 OD2 ASP A 46 1.271 -20.961 0.688 1.00 0.00 O
+ATOM 341 N GLY A 47 -1.449 -18.009 -0.072 1.00 0.00 N
+ATOM 342 CA GLY A 47 -1.320 -16.608 0.300 1.00 0.00 C
+ATOM 343 C GLY A 47 0.132 -16.239 0.364 1.00 0.00 C
+ATOM 344 O GLY A 47 0.681 -15.910 1.414 1.00 0.00 O
+ATOM 345 N LYS A 48 0.799 -16.288 -0.801 1.00 0.00 N
+ATOM 346 CA LYS A 48 2.231 -16.113 -0.957 1.00 0.00 C
+ATOM 347 C LYS A 48 2.653 -14.649 -0.914 1.00 0.00 C
+ATOM 348 O LYS A 48 3.252 -14.085 -1.829 1.00 0.00 O
+ATOM 349 CB LYS A 48 2.715 -16.830 -2.238 1.00 0.00 C
+ATOM 350 CG LYS A 48 4.244 -16.957 -2.346 1.00 0.00 C
+ATOM 351 CD LYS A 48 4.670 -17.645 -3.649 1.00 0.00 C
+ATOM 352 CE LYS A 48 6.187 -17.661 -3.829 1.00 0.00 C
+ATOM 353 NZ LYS A 48 6.522 -18.325 -5.106 1.00 0.00 N
+ATOM 354 N GLY A 49 2.338 -13.996 0.210 1.00 0.00 N
+ATOM 355 CA GLY A 49 2.765 -12.640 0.503 1.00 0.00 C
+ATOM 356 C GLY A 49 1.982 -12.096 1.654 1.00 0.00 C
+ATOM 357 O GLY A 49 2.508 -11.351 2.475 1.00 0.00 O
+ATOM 358 N THR A 50 0.696 -12.479 1.744 1.00 0.00 N
+ATOM 359 CA THR A 50 -0.260 -12.019 2.741 1.00 0.00 C
+ATOM 360 C THR A 50 -1.373 -13.065 2.777 1.00 0.00 C
+ATOM 361 O THR A 50 -1.543 -13.844 1.843 1.00 0.00 O
+ATOM 362 CB THR A 50 -0.903 -10.653 2.448 1.00 0.00 C
+ATOM 363 OG1 THR A 50 -1.381 -10.634 1.132 1.00 0.00 O
+ATOM 364 CG2 THR A 50 0.075 -9.478 2.450 1.00 0.00 C
+ATOM 365 N ASN A 51 -2.177 -13.137 3.860 1.00 0.00 N
+ATOM 366 CA ASN A 51 -3.309 -14.057 3.942 1.00 0.00 C
+ATOM 367 C ASN A 51 -4.459 -13.703 3.007 1.00 0.00 C
+ATOM 368 O ASN A 51 -4.462 -12.645 2.379 1.00 0.00 O
+ATOM 369 CB ASN A 51 -3.842 -14.175 5.406 1.00 0.00 C
+ATOM 370 CG ASN A 51 -4.579 -12.909 5.859 1.00 0.00 C
+ATOM 371 OD1 ASN A 51 -3.998 -11.829 5.948 1.00 0.00 O
+ATOM 372 ND2 ASN A 51 -5.905 -13.032 6.100 1.00 0.00 N
+ATOM 373 N ASN A 52 -5.520 -14.551 2.998 1.00 0.00 N
+ATOM 374 CA ASN A 52 -6.780 -14.360 2.287 1.00 0.00 C
+ATOM 375 C ASN A 52 -7.615 -13.091 2.580 1.00 0.00 C
+ATOM 376 O ASN A 52 -8.811 -13.026 2.304 1.00 0.00 O
+ATOM 377 CB ASN A 52 -7.686 -15.624 2.324 1.00 0.00 C
+ATOM 378 CG ASN A 52 -8.228 -15.883 3.725 1.00 0.00 C
+ATOM 379 OD1 ASN A 52 -7.572 -15.617 4.738 1.00 0.00 O
+ATOM 380 ND2 ASN A 52 -9.467 -16.418 3.790 1.00 0.00 N
+ATOM 381 N GLY A 53 -6.998 -12.048 3.159 1.00 0.00 N
+ATOM 382 CA GLY A 53 -7.630 -10.782 3.480 1.00 0.00 C
+ATOM 383 C GLY A 53 -7.313 -9.804 2.391 1.00 0.00 C
+ATOM 384 O GLY A 53 -8.083 -9.623 1.452 1.00 0.00 O
+ATOM 385 N THR A 54 -6.135 -9.149 2.459 1.00 0.00 N
+ATOM 386 CA THR A 54 -5.711 -8.173 1.458 1.00 0.00 C
+ATOM 387 C THR A 54 -4.544 -8.654 0.655 1.00 0.00 C
+ATOM 388 O THR A 54 -3.743 -7.882 0.138 1.00 0.00 O
+ATOM 389 CB THR A 54 -5.442 -6.775 1.967 1.00 0.00 C
+ATOM 390 OG1 THR A 54 -4.434 -6.740 2.967 1.00 0.00 O
+ATOM 391 CG2 THR A 54 -6.745 -6.296 2.604 1.00 0.00 C
+ATOM 392 N HIS A 55 -4.463 -9.975 0.448 1.00 0.00 N
+ATOM 393 CA HIS A 55 -3.684 -10.537 -0.639 1.00 0.00 C
+ATOM 394 C HIS A 55 -4.120 -10.096 -1.996 1.00 0.00 C
+ATOM 395 O HIS A 55 -3.319 -9.879 -2.900 1.00 0.00 O
+ATOM 396 CB HIS A 55 -3.709 -12.078 -0.599 1.00 0.00 C
+ATOM 397 CG HIS A 55 -5.069 -12.736 -0.576 1.00 0.00 C
+ATOM 398 ND1 HIS A 55 -5.085 -14.052 -0.973 1.00 0.00 N
+ATOM 399 CD2 HIS A 55 -6.348 -12.274 -0.458 1.00 0.00 C
+ATOM 400 CE1 HIS A 55 -6.353 -14.369 -1.118 1.00 0.00 C
+ATOM 401 NE2 HIS A 55 -7.160 -13.322 -0.818 1.00 0.00 N
+ATOM 402 N LYS A 56 -5.425 -9.914 -2.125 1.00 0.00 N
+ATOM 403 CA LYS A 56 -6.025 -9.488 -3.352 1.00 0.00 C
+ATOM 404 C LYS A 56 -5.524 -10.144 -4.702 1.00 0.00 C
+ATOM 405 O LYS A 56 -4.849 -9.476 -5.500 1.00 0.00 O
+ATOM 406 CB LYS A 56 -6.050 -7.935 -3.401 1.00 0.00 C
+ATOM 407 CG LYS A 56 -6.109 -6.985 -2.140 1.00 0.00 C
+ATOM 408 CD LYS A 56 -5.835 -5.473 -2.484 1.00 0.00 C
+ATOM 409 CE LYS A 56 -6.559 -4.268 -1.805 1.00 0.00 C
+ATOM 410 NZ LYS A 56 -6.789 -3.138 -2.758 1.00 0.00 N
+ATOM 411 N PRO A 57 -5.761 -11.488 -4.888 1.00 0.00 N
+ATOM 412 CA PRO A 57 -5.653 -12.277 -6.106 1.00 0.00 C
+ATOM 413 C PRO A 57 -6.452 -11.874 -7.308 1.00 0.00 C
+ATOM 414 O PRO A 57 -7.389 -11.102 -7.156 1.00 0.00 O
+ATOM 415 CB PRO A 57 -6.185 -13.691 -5.770 1.00 0.00 C
+ATOM 416 CG PRO A 57 -6.321 -13.759 -4.257 1.00 0.00 C
+ATOM 417 CD PRO A 57 -5.839 -12.413 -3.778 1.00 0.00 C
+ATOM 418 N HIS A 58 -6.092 -12.398 -8.514 1.00 0.00 N
+ATOM 419 CA HIS A 58 -6.626 -12.025 -9.818 1.00 0.00 C
+ATOM 420 C HIS A 58 -6.063 -10.745 -10.484 1.00 0.00 C
+ATOM 421 O HIS A 58 -6.706 -10.267 -11.412 1.00 0.00 O
+ATOM 422 CB HIS A 58 -8.174 -12.011 -9.853 1.00 0.00 C
+ATOM 423 CG HIS A 58 -8.898 -13.384 -9.771 1.00 0.00 C
+ATOM 424 ND1 HIS A 58 -10.798 -13.587 -9.490 1.00 0.00 N
+ATOM 425 CD2 HIS A 58 -8.171 -15.077 -10.167 1.00 0.00 C
+ATOM 426 CE1 HIS A 58 -10.997 -15.367 -9.752 1.00 0.00 C
+ATOM 427 NE2 HIS A 58 -9.492 -16.357 -10.143 1.00 0.00 N
+ATOM 428 N PRO A 59 -4.932 -10.150 -10.118 1.00 2.92 N
+ATOM 429 CA PRO A 59 -4.516 -9.014 -10.928 1.00 3.21 C
+ATOM 430 C PRO A 59 -3.024 -8.963 -11.147 1.00 3.41 C
+ATOM 431 O PRO A 59 -2.266 -9.847 -10.738 1.00 3.15 O
+ATOM 432 CB PRO A 59 -4.913 -7.858 -10.024 1.00 0.00 C
+ATOM 433 CG PRO A 59 -4.472 -8.311 -8.665 1.00 0.00 C
+ATOM 434 CD PRO A 59 -4.848 -9.761 -8.698 1.00 0.00 C
+ATOM 435 N PHE A 60 -2.591 -7.875 -11.805 1.00 3.85 N
+ATOM 436 CA PHE A 60 -1.230 -7.678 -12.237 1.00 4.07 C
+ATOM 437 C PHE A 60 -0.684 -6.338 -11.766 1.00 4.54 C
+ATOM 438 O PHE A 60 -1.263 -5.285 -12.017 1.00 4.39 O
+ATOM 439 CB PHE A 60 -1.174 -7.709 -13.784 1.00 4.37 C
+ATOM 440 CG PHE A 60 -1.681 -9.034 -14.285 1.00 0.00 C
+ATOM 441 CD1 PHE A 60 -3.014 -9.199 -14.705 1.00 0.00 C
+ATOM 442 CD2 PHE A 60 -0.837 -10.152 -14.261 1.00 0.00 C
+ATOM 443 CE1 PHE A 60 -3.492 -10.463 -15.072 1.00 0.00 C
+ATOM 444 CE2 PHE A 60 -1.307 -11.417 -14.641 1.00 0.00 C
+ATOM 445 CZ PHE A 60 -2.639 -11.572 -15.042 1.00 0.00 C
+ATOM 446 N LEU A 61 0.475 -6.330 -11.085 1.00 4.29 N
+ATOM 447 CA LEU A 61 1.142 -5.115 -10.651 1.00 4.74 C
+ATOM 448 C LEU A 61 2.454 -4.986 -11.397 1.00 4.32 C
+ATOM 449 O LEU A 61 3.242 -5.924 -11.492 1.00 4.21 O
+ATOM 450 CB LEU A 61 1.400 -5.127 -9.117 1.00 5.25 C
+ATOM 451 CG LEU A 61 2.215 -3.960 -8.509 1.00 0.00 C
+ATOM 452 CD1 LEU A 61 1.514 -2.600 -8.622 1.00 0.00 C
+ATOM 453 CD2 LEU A 61 2.505 -4.234 -7.027 1.00 0.00 C
+ATOM 454 N LYS A 62 2.731 -3.800 -11.960 1.00 3.45 N
+ATOM 455 CA LYS A 62 4.028 -3.479 -12.510 1.00 3.09 C
+ATOM 456 C LYS A 62 4.661 -2.410 -11.662 1.00 3.33 C
+ATOM 457 O LYS A 62 4.145 -1.311 -11.521 1.00 2.84 O
+ATOM 458 CB LYS A 62 3.924 -3.011 -13.974 1.00 2.86 C
+ATOM 459 CG LYS A 62 5.296 -2.761 -14.622 1.00 0.00 C
+ATOM 460 CD LYS A 62 5.200 -2.506 -16.134 1.00 0.00 C
+ATOM 461 CE LYS A 62 4.726 -3.712 -16.950 1.00 0.00 C
+ATOM 462 NZ LYS A 62 5.627 -4.877 -16.824 1.00 0.00 N
+ATOM 463 N ILE A 63 5.797 -2.711 -11.035 1.00 3.51 N
+ATOM 464 CA ILE A 63 6.441 -1.792 -10.129 1.00 3.81 C
+ATOM 465 C ILE A 63 7.922 -1.967 -10.390 1.00 3.50 C
+ATOM 466 O ILE A 63 8.516 -2.962 -10.008 1.00 3.17 O
+ATOM 467 CB ILE A 63 5.972 -2.046 -8.682 1.00 4.09 C
+ATOM 468 CG1 ILE A 63 6.548 -1.031 -7.667 1.00 0.00 C
+ATOM 469 CG2 ILE A 63 6.197 -3.514 -8.238 1.00 0.00 C
+ATOM 470 CD1 ILE A 63 5.851 -1.103 -6.298 1.00 0.00 C
+ATOM 471 N LYS A 64 8.553 -1.026 -11.127 1.00 0.00 N
+ATOM 472 CA LYS A 64 9.951 -1.154 -11.504 1.00 0.00 C
+ATOM 473 C LYS A 64 10.164 -1.712 -12.926 1.00 0.00 C
+ATOM 474 O LYS A 64 11.127 -2.420 -13.201 1.00 0.00 O
+ATOM 475 CB LYS A 64 10.626 0.227 -11.277 1.00 0.00 C
+ATOM 476 CG LYS A 64 12.155 0.266 -11.412 1.00 0.00 C
+ATOM 477 CD LYS A 64 12.594 0.609 -12.843 1.00 0.00 C
+ATOM 478 CE LYS A 64 14.097 0.505 -13.082 1.00 0.00 C
+ATOM 479 NZ LYS A 64 14.765 1.642 -12.412 1.00 0.00 N
+ATOM 480 N GLY A 65 9.300 -1.433 -13.935 1.00 2.79 N
+ATOM 481 CA GLY A 65 9.650 -1.961 -15.264 1.00 3.20 C
+ATOM 482 C GLY A 65 8.775 -1.597 -16.438 1.00 3.25 C
+ATOM 483 O GLY A 65 8.239 -0.505 -16.531 1.00 3.03 O
+ATOM 484 N SER A 66 8.584 -2.520 -17.409 1.00 0.00 N
+ATOM 485 CA SER A 66 8.025 -2.159 -18.722 1.00 0.00 C
+ATOM 486 C SER A 66 7.280 -3.343 -19.339 1.00 0.00 C
+ATOM 487 O SER A 66 7.498 -4.483 -18.921 1.00 0.00 O
+ATOM 488 CB SER A 66 9.152 -1.607 -19.646 1.00 0.00 C
+ATOM 489 OG SER A 66 8.723 -1.349 -20.978 1.00 0.00 O
+ATOM 490 N GLY A 67 6.318 -3.141 -20.282 1.00 2.71 N
+ATOM 491 CA GLY A 67 5.621 -4.270 -20.919 1.00 2.74 C
+ATOM 492 C GLY A 67 4.212 -4.048 -21.437 1.00 2.88 C
+ATOM 493 O GLY A 67 3.722 -2.932 -21.551 1.00 3.14 O
+ATOM 494 N THR A 68 3.529 -5.163 -21.762 1.00 3.14 N
+ATOM 495 CA THR A 68 2.174 -5.249 -22.313 1.00 3.34 C
+ATOM 496 C THR A 68 1.334 -6.151 -21.431 1.00 4.02 C
+ATOM 497 O THR A 68 1.782 -7.226 -21.033 1.00 4.08 O
+ATOM 498 CB THR A 68 2.142 -5.909 -23.697 1.00 3.58 C
+ATOM 499 OG1 THR A 68 2.862 -5.143 -24.647 1.00 0.00 O
+ATOM 500 CG2 THR A 68 0.728 -6.094 -24.276 1.00 0.00 C
+ATOM 501 N TYR A 69 0.072 -5.773 -21.135 1.00 4.44 N
+ATOM 502 CA TYR A 69 -0.921 -6.706 -20.610 1.00 4.38 C
+ATOM 503 C TYR A 69 -2.094 -6.672 -21.559 1.00 4.51 C
+ATOM 504 O TYR A 69 -2.587 -5.600 -21.911 1.00 4.64 O
+ATOM 505 CB TYR A 69 -1.456 -6.388 -19.190 1.00 4.81 C
+ATOM 506 CG TYR A 69 -0.339 -6.381 -18.192 1.00 0.00 C
+ATOM 507 CD1 TYR A 69 0.415 -5.215 -18.048 1.00 0.00 C
+ATOM 508 CD2 TYR A 69 -0.029 -7.489 -17.384 1.00 0.00 C
+ATOM 509 CE1 TYR A 69 1.422 -5.123 -17.096 1.00 0.00 C
+ATOM 510 CE2 TYR A 69 1.041 -7.420 -16.473 1.00 0.00 C
+ATOM 511 CZ TYR A 69 1.763 -6.230 -16.324 1.00 0.00 C
+ATOM 512 OH TYR A 69 2.822 -6.138 -15.400 1.00 0.00 O
+ATOM 513 N LYS A 70 -2.559 -7.845 -22.029 1.00 4.39 N
+ATOM 514 CA LYS A 70 -3.532 -7.867 -23.096 1.00 4.62 C
+ATOM 515 C LYS A 70 -4.444 -9.084 -23.055 1.00 4.67 C
+ATOM 516 O LYS A 70 -4.020 -10.172 -22.681 1.00 5.37 O
+ATOM 517 CB LYS A 70 -2.754 -7.810 -24.430 1.00 4.42 C
+ATOM 518 CG LYS A 70 -3.619 -7.764 -25.690 1.00 0.00 C
+ATOM 519 CD LYS A 70 -2.777 -7.497 -26.939 1.00 0.00 C
+ATOM 520 CE LYS A 70 -3.624 -7.436 -28.210 1.00 0.00 C
+ATOM 521 NZ LYS A 70 -2.847 -6.752 -29.268 1.00 0.00 N
+ATOM 522 N LYS A 71 -5.737 -8.922 -23.432 1.00 4.72 N
+ATOM 523 CA LYS A 71 -6.733 -9.994 -23.546 1.00 4.25 C
+ATOM 524 C LYS A 71 -6.994 -10.782 -22.271 1.00 4.46 C
+ATOM 525 O LYS A 71 -7.376 -11.948 -22.286 1.00 4.83 O
+ATOM 526 CB LYS A 71 -6.436 -11.005 -24.677 1.00 4.25 C
+ATOM 527 CG LYS A 71 -6.592 -10.485 -26.109 1.00 0.00 C
+ATOM 528 CD LYS A 71 -6.349 -11.673 -27.053 1.00 0.00 C
+ATOM 529 CE LYS A 71 -6.478 -11.394 -28.548 1.00 0.00 C
+ATOM 530 NZ LYS A 71 -6.511 -12.699 -29.260 1.00 0.00 N
+ATOM 531 N PHE A 72 -6.835 -10.141 -21.114 1.00 4.03 N
+ATOM 532 CA PHE A 72 -7.244 -10.718 -19.862 1.00 3.77 C
+ATOM 533 C PHE A 72 -8.702 -10.403 -19.634 1.00 3.80 C
+ATOM 534 O PHE A 72 -9.237 -9.405 -20.116 1.00 3.41 O
+ATOM 535 CB PHE A 72 -6.396 -10.170 -18.689 1.00 3.47 C
+ATOM 536 CG PHE A 72 -4.995 -10.686 -18.813 1.00 0.00 C
+ATOM 537 CD1 PHE A 72 -3.923 -9.873 -19.214 1.00 0.00 C
+ATOM 538 CD2 PHE A 72 -4.752 -12.029 -18.509 1.00 0.00 C
+ATOM 539 CE1 PHE A 72 -2.630 -10.406 -19.300 1.00 0.00 C
+ATOM 540 CE2 PHE A 72 -3.463 -12.559 -18.590 1.00 0.00 C
+ATOM 541 CZ PHE A 72 -2.401 -11.752 -18.999 1.00 0.00 C
+ATOM 542 N GLU A 73 -9.373 -11.244 -18.852 1.00 3.76 N
+ATOM 543 CA GLU A 73 -10.621 -10.899 -18.234 1.00 3.74 C
+ATOM 544 C GLU A 73 -10.249 -10.923 -16.775 1.00 3.97 C
+ATOM 545 O GLU A 73 -9.425 -11.738 -16.393 1.00 4.23 O
+ATOM 546 CB GLU A 73 -11.752 -11.873 -18.621 1.00 3.81 C
+ATOM 547 CG GLU A 73 -11.994 -11.870 -20.153 1.00 0.00 C
+ATOM 548 CD GLU A 73 -13.313 -12.502 -20.588 1.00 0.00 C
+ATOM 549 OE1 GLU A 73 -14.092 -12.958 -19.714 1.00 0.00 O
+ATOM 550 OE2 GLU A 73 -13.579 -12.467 -21.818 1.00 0.00 O
+ATOM 551 N VAL A 74 -10.714 -9.958 -15.967 1.00 3.65 N
+ATOM 552 CA VAL A 74 -10.294 -9.813 -14.583 1.00 3.86 C
+ATOM 553 C VAL A 74 -11.530 -9.443 -13.773 1.00 3.89 C
+ATOM 554 O VAL A 74 -12.206 -8.462 -14.077 1.00 3.43 O
+ATOM 555 CB VAL A 74 -9.253 -8.714 -14.392 1.00 3.84 C
+ATOM 556 CG1 VAL A 74 -8.918 -8.577 -12.896 1.00 0.00 C
+ATOM 557 CG2 VAL A 74 -7.959 -9.008 -15.184 1.00 0.00 C
+ATOM 558 N LEU A 75 -11.883 -10.197 -12.712 1.00 3.55 N
+ATOM 559 CA LEU A 75 -13.196 -10.053 -12.109 1.00 3.07 C
+ATOM 560 C LEU A 75 -13.247 -10.471 -10.653 1.00 3.12 C
+ATOM 561 O LEU A 75 -12.453 -11.294 -10.221 1.00 3.53 O
+ATOM 562 CB LEU A 75 -14.216 -10.831 -12.986 1.00 0.00 C
+ATOM 563 CG LEU A 75 -15.691 -10.922 -12.523 1.00 0.00 C
+ATOM 564 CD1 LEU A 75 -16.657 -11.092 -13.708 1.00 0.00 C
+ATOM 565 CD2 LEU A 75 -15.966 -12.087 -11.555 1.00 0.00 C
+ATOM 566 N ASN A 76 -14.192 -9.896 -9.859 1.00 3.05 N
+ATOM 567 CA ASN A 76 -14.467 -10.225 -8.453 1.00 2.53 C
+ATOM 568 C ASN A 76 -13.222 -10.277 -7.564 1.00 2.55 C
+ATOM 569 O ASN A 76 -12.856 -11.308 -7.005 1.00 2.46 O
+ATOM 570 CB ASN A 76 -15.444 -11.436 -8.263 1.00 2.52 C
+ATOM 571 CG ASN A 76 -15.898 -11.641 -6.815 1.00 0.00 C
+ATOM 572 OD1 ASN A 76 -15.662 -10.823 -5.926 1.00 0.00 O
+ATOM 573 ND2 ASN A 76 -16.608 -12.765 -6.558 1.00 0.00 N
+ATOM 574 N SER A 77 -12.528 -9.137 -7.419 1.00 0.00 N
+ATOM 575 CA SER A 77 -11.310 -9.059 -6.639 1.00 0.00 C
+ATOM 576 C SER A 77 -11.352 -7.985 -5.573 1.00 0.00 C
+ATOM 577 O SER A 77 -11.585 -6.812 -5.837 1.00 0.00 O
+ATOM 578 CB SER A 77 -10.102 -8.873 -7.548 1.00 0.00 C
+ATOM 579 OG SER A 77 -8.897 -8.981 -6.804 1.00 0.00 O
+ATOM 580 N PRO A 78 -11.044 -8.304 -4.344 1.00 0.00 N
+ATOM 581 CA PRO A 78 -10.573 -7.279 -3.418 1.00 0.00 C
+ATOM 582 C PRO A 78 -9.325 -6.470 -3.878 1.00 0.00 C
+ATOM 583 O PRO A 78 -8.890 -5.701 -3.024 1.00 0.00 O
+ATOM 584 CB PRO A 78 -10.532 -8.022 -2.048 1.00 0.00 C
+ATOM 585 CG PRO A 78 -10.795 -9.493 -2.406 1.00 0.00 C
+ATOM 586 CD PRO A 78 -11.657 -9.424 -3.647 1.00 0.00 C
+ATOM 587 N ALA A 79 -8.759 -6.542 -5.147 1.00 0.00 N
+ATOM 588 CA ALA A 79 -7.592 -5.813 -5.652 1.00 0.00 C
+ATOM 589 C ALA A 79 -7.898 -4.936 -6.827 1.00 0.00 C
+ATOM 590 O ALA A 79 -8.677 -5.259 -7.725 1.00 0.00 O
+ATOM 591 CB ALA A 79 -6.369 -6.647 -6.187 1.00 0.00 C
+ATOM 592 N GLN A 80 -7.085 -3.875 -6.950 1.00 0.00 N
+ATOM 593 CA GLN A 80 -6.599 -3.254 -8.169 1.00 0.00 C
+ATOM 594 C GLN A 80 -6.346 -4.251 -9.275 1.00 0.00 C
+ATOM 595 O GLN A 80 -5.441 -5.065 -9.171 1.00 0.00 O
+ATOM 596 CB GLN A 80 -5.307 -2.464 -7.806 1.00 0.00 C
+ATOM 597 CG GLN A 80 -4.037 -3.262 -7.383 1.00 0.00 C
+ATOM 598 CD GLN A 80 -4.152 -4.109 -6.113 1.00 0.00 C
+ATOM 599 OE1 GLN A 80 -4.968 -3.924 -5.205 1.00 0.00 O
+ATOM 600 NE2 GLN A 80 -3.220 -5.084 -6.021 1.00 0.00 N
+ATOM 601 N ALA A 81 -7.156 -4.250 -10.361 1.00 7.22 N
+ATOM 602 CA ALA A 81 -7.136 -5.245 -11.434 1.00 7.13 C
+ATOM 603 C ALA A 81 -5.836 -5.241 -12.194 1.00 6.56 C
+ATOM 604 O ALA A 81 -5.220 -6.274 -12.448 1.00 5.86 O
+ATOM 605 CB ALA A 81 -8.276 -4.930 -12.413 1.00 7.21 C
+ATOM 606 N ILE A 82 -5.358 -4.042 -12.538 1.00 6.37 N
+ATOM 607 CA ILE A 82 -4.048 -3.849 -13.107 1.00 5.81 C
+ATOM 608 C ILE A 82 -3.512 -2.591 -12.456 1.00 6.11 C
+ATOM 609 O ILE A 82 -4.213 -1.595 -12.324 1.00 6.51 O
+ATOM 610 CB ILE A 82 -4.128 -3.737 -14.625 1.00 5.76 C
+ATOM 611 CG1 ILE A 82 -4.453 -5.104 -15.264 1.00 4.84 C
+ATOM 612 CG2 ILE A 82 -2.820 -3.185 -15.224 1.00 5.17 C
+ATOM 613 CD1 ILE A 82 -5.302 -4.971 -16.520 1.00 4.15 C
+ATOM 614 N SER A 83 -2.258 -2.591 -11.980 1.00 5.43 N
+ATOM 615 CA SER A 83 -1.735 -1.432 -11.268 1.00 5.47 C
+ATOM 616 C SER A 83 -0.279 -1.218 -11.598 1.00 5.16 C
+ATOM 617 O SER A 83 0.453 -2.157 -11.907 1.00 4.73 O
+ATOM 618 CB SER A 83 -1.939 -1.535 -9.734 1.00 5.82 C
+ATOM 619 OG SER A 83 -1.425 -0.402 -9.026 1.00 0.00 O
+ATOM 620 N VAL A 84 0.160 0.056 -11.626 1.00 0.00 N
+ATOM 621 CA VAL A 84 1.465 0.456 -12.107 1.00 0.00 C
+ATOM 622 C VAL A 84 2.133 1.465 -11.175 1.00 0.00 C
+ATOM 623 O VAL A 84 1.759 2.639 -11.111 1.00 0.00 O
+ATOM 624 CB VAL A 84 1.361 1.051 -13.509 1.00 0.00 C
+ATOM 625 CG1 VAL A 84 2.740 1.241 -14.149 1.00 0.00 C
+ATOM 626 CG2 VAL A 84 0.494 0.162 -14.411 1.00 0.00 C
+ATOM 627 N GLY A 85 3.195 1.020 -10.463 1.00 0.00 N
+ATOM 628 CA GLY A 85 4.201 1.863 -9.819 1.00 0.00 C
+ATOM 629 C GLY A 85 5.201 2.376 -10.838 1.00 0.00 C
+ATOM 630 O GLY A 85 4.975 2.186 -12.028 1.00 0.00 O
+ATOM 631 N PRO A 86 6.305 3.028 -10.476 1.00 0.00 N
+ATOM 632 CA PRO A 86 7.301 3.568 -11.412 1.00 0.00 C
+ATOM 633 C PRO A 86 7.699 2.686 -12.596 1.00 0.00 C
+ATOM 634 O PRO A 86 7.870 1.479 -12.421 1.00 0.00 O
+ATOM 635 CB PRO A 86 8.498 3.918 -10.512 1.00 0.00 C
+ATOM 636 CG PRO A 86 7.855 4.220 -9.156 1.00 0.00 C
+ATOM 637 CD PRO A 86 6.721 3.196 -9.087 1.00 0.00 C
+ATOM 638 N THR A 87 7.852 3.266 -13.805 1.00 0.00 N
+ATOM 639 CA THR A 87 8.180 2.530 -15.024 1.00 0.00 C
+ATOM 640 C THR A 87 9.098 3.350 -15.889 1.00 0.00 C
+ATOM 641 O THR A 87 9.350 4.524 -15.624 1.00 0.00 O
+ATOM 642 CB THR A 87 6.987 2.145 -15.919 1.00 0.00 C
+ATOM 643 OG1 THR A 87 6.231 3.255 -16.387 1.00 0.00 O
+ATOM 644 CG2 THR A 87 6.034 1.245 -15.135 1.00 0.00 C
+ATOM 645 N ASP A 88 9.584 2.738 -16.986 1.00 0.00 N
+ATOM 646 CA ASP A 88 10.459 3.349 -17.962 1.00 0.00 C
+ATOM 647 C ASP A 88 9.656 4.020 -19.084 1.00 0.00 C
+ATOM 648 O ASP A 88 10.206 4.426 -20.108 1.00 0.00 O
+ATOM 649 CB ASP A 88 11.334 2.231 -18.584 1.00 0.00 C
+ATOM 650 CG ASP A 88 11.878 1.318 -17.494 1.00 0.00 C
+ATOM 651 OD1 ASP A 88 12.754 1.747 -16.700 1.00 0.00 O
+ATOM 652 OD2 ASP A 88 11.356 0.171 -17.421 1.00 0.00 O
+ATOM 653 N ALA A 89 8.320 4.143 -18.879 1.00 0.00 N
+ATOM 654 CA ALA A 89 7.395 4.825 -19.758 1.00 0.00 C
+ATOM 655 C ALA A 89 7.118 4.132 -21.085 1.00 0.00 C
+ATOM 656 O ALA A 89 7.297 4.719 -22.147 1.00 0.00 O
+ATOM 657 CB ALA A 89 7.799 6.298 -19.895 1.00 0.00 C
+ATOM 658 N HIS A 90 6.663 2.856 -21.027 1.00 4.01 N
+ATOM 659 CA HIS A 90 6.287 2.053 -22.179 1.00 4.42 C
+ATOM 660 C HIS A 90 5.316 0.975 -21.719 1.00 3.82 C
+ATOM 661 O HIS A 90 5.687 -0.181 -21.506 1.00 3.60 O
+ATOM 662 CB HIS A 90 7.490 1.332 -22.837 1.00 4.56 C
+ATOM 663 CG HIS A 90 8.564 2.254 -23.299 1.00 0.00 C
+ATOM 664 ND1 HIS A 90 8.498 2.859 -24.538 1.00 0.00 N
+ATOM 665 CD2 HIS A 90 9.627 2.718 -22.599 1.00 0.00 C
+ATOM 666 CE1 HIS A 90 9.518 3.693 -24.560 1.00 0.00 C
+ATOM 667 NE2 HIS A 90 10.236 3.647 -23.410 1.00 0.00 N
+ATOM 668 N LEU A 91 4.042 1.337 -21.486 1.00 3.22 N
+ATOM 669 CA LEU A 91 3.047 0.372 -21.054 1.00 2.71 C
+ATOM 670 C LEU A 91 1.832 0.373 -21.953 1.00 2.93 C
+ATOM 671 O LEU A 91 1.242 1.409 -22.254 1.00 2.77 O
+ATOM 672 CB LEU A 91 2.621 0.616 -19.591 1.00 2.70 C
+ATOM 673 CG LEU A 91 1.573 -0.362 -19.031 1.00 0.00 C
+ATOM 674 CD1 LEU A 91 2.118 -1.785 -18.880 1.00 0.00 C
+ATOM 675 CD2 LEU A 91 1.095 0.118 -17.668 1.00 0.00 C
+ATOM 676 N THR A 92 1.416 -0.833 -22.374 1.00 2.56 N
+ATOM 677 CA THR A 92 0.216 -1.019 -23.173 1.00 2.84 C
+ATOM 678 C THR A 92 -0.738 -1.899 -22.406 1.00 2.98 C
+ATOM 679 O THR A 92 -0.452 -3.066 -22.133 1.00 3.18 O
+ATOM 680 CB THR A 92 0.495 -1.663 -24.522 1.00 2.03 C
+ATOM 681 OG1 THR A 92 1.341 -0.820 -25.289 1.00 0.00 O
+ATOM 682 CG2 THR A 92 -0.795 -1.825 -25.335 1.00 0.00 C
+ATOM 683 N LEU A 93 -1.914 -1.356 -22.033 1.00 3.14 N
+ATOM 684 CA LEU A 93 -2.980 -2.113 -21.402 1.00 3.22 C
+ATOM 685 C LEU A 93 -4.122 -2.179 -22.412 1.00 3.18 C
+ATOM 686 O LEU A 93 -4.827 -1.194 -22.624 1.00 2.91 O
+ATOM 687 CB LEU A 93 -3.419 -1.437 -20.060 1.00 3.40 C
+ATOM 688 CG LEU A 93 -2.268 -1.276 -19.032 1.00 0.00 C
+ATOM 689 CD1 LEU A 93 -2.673 -0.676 -17.678 1.00 0.00 C
+ATOM 690 CD2 LEU A 93 -1.630 -2.624 -18.731 1.00 0.00 C
+ATOM 691 N ASP A 94 -4.298 -3.339 -23.091 1.00 3.41 N
+ATOM 692 CA ASP A 94 -5.093 -3.428 -24.315 1.00 3.54 C
+ATOM 693 C ASP A 94 -6.099 -4.576 -24.283 1.00 3.64 C
+ATOM 694 O ASP A 94 -5.772 -5.732 -24.016 1.00 3.71 O
+ATOM 695 CB ASP A 94 -4.142 -3.493 -25.555 1.00 3.41 C
+ATOM 696 CG ASP A 94 -4.795 -3.698 -26.926 1.00 3.67 C
+ATOM 697 OD1 ASP A 94 -5.855 -3.078 -27.204 1.00 4.54 O
+ATOM 698 OD2 ASP A 94 -4.208 -4.491 -27.722 1.00 3.19 O
+ATOM 699 N GLY A 95 -7.387 -4.283 -24.568 1.00 3.76 N
+ATOM 700 CA GLY A 95 -8.412 -5.307 -24.783 1.00 3.87 C
+ATOM 701 C GLY A 95 -8.734 -6.185 -23.602 1.00 4.06 C
+ATOM 702 O GLY A 95 -9.019 -7.367 -23.757 1.00 4.28 O
+ATOM 703 N ILE A 96 -8.648 -5.632 -22.383 1.00 3.81 N
+ATOM 704 CA ILE A 96 -8.862 -6.364 -21.146 1.00 3.76 C
+ATOM 705 C ILE A 96 -10.244 -6.072 -20.596 1.00 4.05 C
+ATOM 706 O ILE A 96 -10.674 -4.921 -20.538 1.00 4.00 O
+ATOM 707 CB ILE A 96 -7.792 -6.005 -20.115 1.00 3.20 C
+ATOM 708 CG1 ILE A 96 -6.419 -6.479 -20.640 1.00 0.00 C
+ATOM 709 CG2 ILE A 96 -8.102 -6.597 -18.718 1.00 0.00 C
+ATOM 710 CD1 ILE A 96 -5.253 -6.143 -19.712 1.00 0.00 C
+ATOM 711 N THR A 97 -10.973 -7.112 -20.151 1.00 4.19 N
+ATOM 712 CA THR A 97 -12.275 -6.953 -19.502 1.00 4.34 C
+ATOM 713 C THR A 97 -12.094 -6.909 -18.000 1.00 4.63 C
+ATOM 714 O THR A 97 -11.565 -7.844 -17.418 1.00 4.93 O
+ATOM 715 CB THR A 97 -13.258 -8.073 -19.824 1.00 4.47 C
+ATOM 716 OG1 THR A 97 -13.523 -8.095 -21.219 1.00 4.58 O
+ATOM 717 CG2 THR A 97 -14.611 -7.856 -19.126 1.00 4.34 C
+ATOM 718 N VAL A 98 -12.516 -5.833 -17.309 1.00 4.47 N
+ATOM 719 CA VAL A 98 -12.416 -5.721 -15.857 1.00 3.94 C
+ATOM 720 C VAL A 98 -13.801 -5.508 -15.290 1.00 4.04 C
+ATOM 721 O VAL A 98 -14.586 -4.724 -15.819 1.00 3.86 O
+ATOM 722 CB VAL A 98 -11.464 -4.622 -15.394 1.00 4.17 C
+ATOM 723 CG1 VAL A 98 -11.408 -4.512 -13.854 1.00 3.56 C
+ATOM 724 CG2 VAL A 98 -10.059 -4.956 -15.925 1.00 4.16 C
+ATOM 725 N ASP A 99 -14.148 -6.241 -14.221 1.00 3.75 N
+ATOM 726 CA ASP A 99 -15.511 -6.340 -13.757 1.00 4.19 C
+ATOM 727 C ASP A 99 -15.441 -6.623 -12.261 1.00 4.20 C
+ATOM 728 O ASP A 99 -14.429 -7.124 -11.771 1.00 4.63 O
+ATOM 729 CB ASP A 99 -16.134 -7.500 -14.589 1.00 4.36 C
+ATOM 730 CG ASP A 99 -17.652 -7.571 -14.664 1.00 0.00 C
+ATOM 731 OD1 ASP A 99 -18.359 -7.075 -13.763 1.00 0.00 O
+ATOM 732 OD2 ASP A 99 -18.139 -8.137 -15.684 1.00 0.00 O
+ATOM 733 N ASP A 100 -16.462 -6.274 -11.463 1.00 0.00 N
+ATOM 734 CA ASP A 100 -16.475 -6.588 -10.053 1.00 0.00 C
+ATOM 735 C ASP A 100 -17.233 -7.864 -9.688 1.00 0.00 C
+ATOM 736 O ASP A 100 -17.253 -8.853 -10.417 1.00 0.00 O
+ATOM 737 CB ASP A 100 -16.741 -5.329 -9.206 1.00 0.00 C
+ATOM 738 CG ASP A 100 -18.070 -4.642 -9.265 1.00 0.00 C
+ATOM 739 OD1 ASP A 100 -19.052 -5.213 -9.780 1.00 0.00 O
+ATOM 740 OD2 ASP A 100 -18.132 -3.545 -8.656 1.00 0.00 O
+ATOM 741 N PHE A 101 -17.805 -7.933 -8.472 1.00 0.00 N
+ATOM 742 CA PHE A 101 -18.855 -8.899 -8.217 1.00 0.00 C
+ATOM 743 C PHE A 101 -20.206 -8.258 -8.513 1.00 0.00 C
+ATOM 744 O PHE A 101 -21.086 -8.889 -9.099 1.00 0.00 O
+ATOM 745 CB PHE A 101 -18.823 -9.414 -6.750 1.00 0.00 C
+ATOM 746 CG PHE A 101 -19.916 -10.431 -6.533 1.00 0.00 C
+ATOM 747 CD1 PHE A 101 -19.955 -11.601 -7.309 1.00 0.00 C
+ATOM 748 CD2 PHE A 101 -21.008 -10.127 -5.705 1.00 0.00 C
+ATOM 749 CE1 PHE A 101 -21.084 -12.430 -7.294 1.00 0.00 C
+ATOM 750 CE2 PHE A 101 -22.138 -10.953 -5.684 1.00 0.00 C
+ATOM 751 CZ PHE A 101 -22.180 -12.100 -6.487 1.00 0.00 C
+ATOM 752 N ALA A 102 -20.363 -6.986 -8.094 1.00 0.00 N
+ATOM 753 CA ALA A 102 -21.618 -6.287 -8.041 1.00 0.00 C
+ATOM 754 C ALA A 102 -21.440 -4.886 -7.434 1.00 0.00 C
+ATOM 755 O ALA A 102 -21.646 -4.629 -6.247 1.00 0.00 O
+ATOM 756 CB ALA A 102 -22.648 -7.084 -7.216 1.00 0.00 C
+ATOM 757 N GLY A 103 -21.084 -3.913 -8.297 1.00 0.00 N
+ATOM 758 CA GLY A 103 -20.969 -2.475 -8.021 1.00 0.00 C
+ATOM 759 C GLY A 103 -22.285 -1.778 -7.796 1.00 0.00 C
+ATOM 760 O GLY A 103 -22.368 -0.566 -7.629 1.00 0.00 O
+ATOM 761 N ASP A 104 -23.387 -2.543 -7.781 1.00 0.00 N
+ATOM 762 CA ASP A 104 -24.674 -2.101 -7.298 1.00 0.00 C
+ATOM 763 C ASP A 104 -24.856 -2.468 -5.817 1.00 0.00 C
+ATOM 764 O ASP A 104 -25.886 -2.190 -5.199 1.00 0.00 O
+ATOM 765 CB ASP A 104 -25.799 -2.643 -8.222 1.00 0.00 C
+ATOM 766 CG ASP A 104 -25.804 -4.151 -8.418 1.00 0.00 C
+ATOM 767 OD1 ASP A 104 -25.051 -4.861 -7.711 1.00 0.00 O
+ATOM 768 OD2 ASP A 104 -26.565 -4.601 -9.312 1.00 0.00 O
+ATOM 769 N THR A 105 -23.813 -3.027 -5.163 1.00 0.00 N
+ATOM 770 CA THR A 105 -23.870 -3.438 -3.763 1.00 0.00 C
+ATOM 771 C THR A 105 -22.753 -2.719 -2.977 1.00 0.00 C
+ATOM 772 O THR A 105 -21.876 -2.058 -3.528 1.00 0.00 O
+ATOM 773 CB THR A 105 -23.725 -4.947 -3.546 1.00 0.00 C
+ATOM 774 OG1 THR A 105 -22.376 -5.377 -3.728 1.00 0.00 O
+ATOM 775 CG2 THR A 105 -24.613 -5.779 -4.467 1.00 0.00 C
+ATOM 776 N LYS A 106 -22.776 -2.863 -1.634 1.00 0.00 N
+ATOM 777 CA LYS A 106 -21.718 -2.393 -0.752 1.00 0.00 C
+ATOM 778 C LYS A 106 -21.557 -3.433 0.342 1.00 0.00 C
+ATOM 779 O LYS A 106 -20.497 -3.995 0.594 1.00 0.00 O
+ATOM 780 CB LYS A 106 -22.039 -1.008 -0.111 1.00 0.00 C
+ATOM 781 CG LYS A 106 -21.943 0.168 -1.101 1.00 0.00 C
+ATOM 782 CD LYS A 106 -22.218 1.541 -0.459 1.00 0.00 C
+ATOM 783 CE LYS A 106 -22.106 2.684 -1.477 1.00 0.00 C
+ATOM 784 NZ LYS A 106 -22.429 3.983 -0.842 1.00 0.00 N
+ATOM 785 N ASN A 107 -22.666 -3.747 1.039 1.00 0.00 N
+ATOM 786 CA ASN A 107 -22.664 -4.670 2.164 1.00 0.00 C
+ATOM 787 C ASN A 107 -22.537 -6.139 1.758 1.00 0.00 C
+ATOM 788 O ASN A 107 -22.365 -7.004 2.609 1.00 0.00 O
+ATOM 789 CB ASN A 107 -23.944 -4.515 3.026 1.00 0.00 C
+ATOM 790 CG ASN A 107 -24.027 -3.116 3.628 1.00 0.00 C
+ATOM 791 OD1 ASN A 107 -23.098 -2.310 3.591 1.00 0.00 O
+ATOM 792 ND2 ASN A 107 -25.211 -2.795 4.201 1.00 0.00 N
+ATOM 793 N LEU A 108 -22.616 -6.457 0.449 1.00 0.00 N
+ATOM 794 CA LEU A 108 -22.445 -7.809 -0.055 1.00 0.00 C
+ATOM 795 C LEU A 108 -21.023 -8.025 -0.560 1.00 0.00 C
+ATOM 796 O LEU A 108 -20.702 -9.065 -1.130 1.00 0.00 O
+ATOM 797 CB LEU A 108 -23.470 -8.115 -1.182 1.00 0.00 C
+ATOM 798 CG LEU A 108 -24.948 -8.130 -0.722 1.00 0.00 C
+ATOM 799 CD1 LEU A 108 -25.894 -8.326 -1.916 1.00 0.00 C
+ATOM 800 CD2 LEU A 108 -25.214 -9.225 0.325 1.00 0.00 C
+ATOM 801 N GLY A 109 -20.120 -7.051 -0.319 1.00 0.00 N
+ATOM 802 CA GLY A 109 -18.727 -7.125 -0.717 1.00 0.00 C
+ATOM 803 C GLY A 109 -18.383 -5.988 -1.618 1.00 0.00 C
+ATOM 804 O GLY A 109 -19.237 -5.227 -2.053 1.00 0.00 O
+ATOM 805 N HIS A 110 -17.087 -5.848 -1.919 1.00 0.00 N
+ATOM 806 CA HIS A 110 -16.626 -4.781 -2.767 1.00 0.00 C
+ATOM 807 C HIS A 110 -15.550 -5.334 -3.637 1.00 0.00 C
+ATOM 808 O HIS A 110 -14.831 -6.260 -3.263 1.00 0.00 O
+ATOM 809 CB HIS A 110 -15.966 -3.613 -1.994 1.00 0.00 C
+ATOM 810 CG HIS A 110 -16.882 -2.934 -1.042 1.00 0.00 C
+ATOM 811 ND1 HIS A 110 -17.674 -1.907 -1.496 1.00 0.00 N
+ATOM 812 CD2 HIS A 110 -17.098 -3.152 0.279 1.00 0.00 C
+ATOM 813 CE1 HIS A 110 -18.362 -1.515 -0.452 1.00 0.00 C
+ATOM 814 NE2 HIS A 110 -18.055 -2.235 0.654 1.00 0.00 N
+ATOM 815 N ASN A 111 -15.411 -4.711 -4.809 1.00 0.00 N
+ATOM 816 CA ASN A 111 -14.184 -4.711 -5.553 1.00 0.00 C
+ATOM 817 C ASN A 111 -13.555 -3.384 -5.251 1.00 0.00 C
+ATOM 818 O ASN A 111 -13.471 -2.964 -4.097 1.00 0.00 O
+ATOM 819 CB ASN A 111 -14.531 -4.894 -7.042 1.00 0.00 C
+ATOM 820 CG ASN A 111 -13.498 -5.421 -8.039 1.00 0.00 C
+ATOM 821 OD1 ASN A 111 -13.365 -6.636 -8.200 1.00 0.00 O
+ATOM 822 ND2 ASN A 111 -12.878 -4.533 -8.839 1.00 0.00 N
+ATOM 823 N THR A 112 -13.034 -2.732 -6.285 1.00 0.00 N
+ATOM 824 CA THR A 112 -11.789 -2.043 -6.054 1.00 0.00 C
+ATOM 825 C THR A 112 -11.422 -1.233 -7.255 1.00 0.00 C
+ATOM 826 O THR A 112 -11.993 -1.374 -8.333 1.00 0.00 O
+ATOM 827 CB THR A 112 -10.600 -2.995 -5.849 1.00 0.00 C
+ATOM 828 OG1 THR A 112 -10.849 -4.184 -6.596 1.00 0.00 O
+ATOM 829 CG2 THR A 112 -10.432 -3.372 -4.368 1.00 0.00 C
+ATOM 830 N ASP A 113 -10.346 -0.460 -7.027 1.00 0.00 N
+ATOM 831 CA ASP A 113 -9.254 -0.040 -7.876 1.00 0.00 C
+ATOM 832 C ASP A 113 -9.156 -0.795 -9.229 1.00 0.00 C
+ATOM 833 O ASP A 113 -9.340 -2.015 -9.325 1.00 0.00 O
+ATOM 834 CB ASP A 113 -7.906 -0.073 -7.002 1.00 0.00 C
+ATOM 835 CG ASP A 113 -7.949 -0.683 -5.564 1.00 0.00 C
+ATOM 836 OD1 ASP A 113 -8.895 -0.342 -4.808 1.00 0.00 O
+ATOM 837 OD2 ASP A 113 -7.069 -1.508 -5.160 1.00 0.00 O
+ATOM 838 N GLY A 114 -8.915 -0.091 -10.353 1.00 0.00 N
+ATOM 839 CA GLY A 114 -9.067 -0.714 -11.669 1.00 0.00 C
+ATOM 840 C GLY A 114 -7.795 -0.778 -12.456 1.00 0.00 C
+ATOM 841 O GLY A 114 -6.971 -1.654 -12.214 1.00 0.00 O
+ATOM 842 N PHE A 115 -7.628 0.096 -13.471 1.00 6.21 N
+ATOM 843 CA PHE A 115 -6.407 0.205 -14.257 1.00 6.02 C
+ATOM 844 C PHE A 115 -5.565 1.377 -13.770 1.00 6.10 C
+ATOM 845 O PHE A 115 -5.592 2.458 -14.352 1.00 6.05 O
+ATOM 846 CB PHE A 115 -6.685 0.460 -15.769 1.00 6.43 C
+ATOM 847 CG PHE A 115 -7.256 -0.729 -16.488 1.00 0.00 C
+ATOM 848 CD1 PHE A 115 -8.625 -1.026 -16.444 1.00 0.00 C
+ATOM 849 CD2 PHE A 115 -6.424 -1.507 -17.309 1.00 0.00 C
+ATOM 850 CE1 PHE A 115 -9.139 -2.079 -17.206 1.00 0.00 C
+ATOM 851 CE2 PHE A 115 -6.943 -2.532 -18.106 1.00 0.00 C
+ATOM 852 CZ PHE A 115 -8.308 -2.829 -18.043 1.00 0.00 C
+ATOM 853 N ASP A 116 -4.772 1.199 -12.705 1.00 5.79 N
+ATOM 854 CA ASP A 116 -4.277 2.330 -11.942 1.00 5.75 C
+ATOM 855 C ASP A 116 -2.792 2.600 -12.174 1.00 5.95 C
+ATOM 856 O ASP A 116 -1.989 1.680 -12.302 1.00 5.53 O
+ATOM 857 CB ASP A 116 -4.500 2.069 -10.438 1.00 5.82 C
+ATOM 858 CG ASP A 116 -5.966 2.154 -10.029 1.00 5.92 C
+ATOM 859 OD1 ASP A 116 -6.866 2.272 -10.900 1.00 4.10 O
+ATOM 860 OD2 ASP A 116 -6.196 2.130 -8.797 1.00 5.75 O
+ATOM 861 N VAL A 117 -2.355 3.880 -12.243 1.00 6.07 N
+ATOM 862 CA VAL A 117 -0.962 4.195 -12.557 1.00 6.33 C
+ATOM 863 C VAL A 117 -0.392 5.414 -11.828 1.00 6.36 C
+ATOM 864 O VAL A 117 -1.085 6.371 -11.489 1.00 6.37 O
+ATOM 865 CB VAL A 117 -0.677 4.402 -14.062 1.00 6.16 C
+ATOM 866 CG1 VAL A 117 -1.270 3.287 -14.951 1.00 0.00 C
+ATOM 867 CG2 VAL A 117 -1.183 5.753 -14.593 1.00 0.00 C
+ATOM 868 N SER A 118 0.946 5.448 -11.638 1.00 0.00 N
+ATOM 869 CA SER A 118 1.709 6.701 -11.556 1.00 0.00 C
+ATOM 870 C SER A 118 2.713 6.812 -12.706 1.00 0.00 C
+ATOM 871 O SER A 118 3.574 7.684 -12.741 1.00 0.00 O
+ATOM 872 CB SER A 118 2.452 6.914 -10.203 1.00 0.00 C
+ATOM 873 OG SER A 118 3.353 5.850 -9.883 1.00 0.00 O
+ATOM 874 N ALA A 119 2.620 5.915 -13.706 1.00 0.00 N
+ATOM 875 CA ALA A 119 3.520 5.845 -14.845 1.00 0.00 C
+ATOM 876 C ALA A 119 3.359 6.884 -15.964 1.00 0.00 C
+ATOM 877 O ALA A 119 2.271 7.377 -16.260 1.00 0.00 O
+ATOM 878 CB ALA A 119 3.415 4.445 -15.469 1.00 0.00 C
+ATOM 879 N ASN A 120 4.484 7.195 -16.656 1.00 3.25 N
+ATOM 880 CA ASN A 120 4.540 8.003 -17.868 1.00 3.10 C
+ATOM 881 C ASN A 120 4.393 7.110 -19.126 1.00 3.30 C
+ATOM 882 O ASN A 120 4.456 5.891 -19.009 1.00 3.34 O
+ATOM 883 CB ASN A 120 5.856 8.830 -17.837 1.00 2.79 C
+ATOM 884 CG ASN A 120 5.883 9.948 -18.873 1.00 0.00 C
+ATOM 885 OD1 ASN A 120 6.363 9.756 -19.986 1.00 0.00 O
+ATOM 886 ND2 ASN A 120 5.340 11.134 -18.528 1.00 0.00 N
+ATOM 887 N ASN A 121 4.163 7.700 -20.335 1.00 3.49 N
+ATOM 888 CA ASN A 121 3.853 7.101 -21.642 1.00 3.66 C
+ATOM 889 C ASN A 121 3.126 5.759 -21.638 1.00 3.84 C
+ATOM 890 O ASN A 121 3.696 4.700 -21.913 1.00 4.25 O
+ATOM 891 CB ASN A 121 5.038 7.083 -22.635 1.00 3.85 C
+ATOM 892 CG ASN A 121 5.733 8.429 -22.749 1.00 0.00 C
+ATOM 893 OD1 ASN A 121 5.095 9.474 -22.897 1.00 0.00 O
+ATOM 894 ND2 ASN A 121 7.084 8.415 -22.706 1.00 0.00 N
+ATOM 895 N VAL A 122 1.820 5.801 -21.312 1.00 3.91 N
+ATOM 896 CA VAL A 122 0.975 4.629 -21.201 1.00 3.50 C
+ATOM 897 C VAL A 122 -0.173 4.726 -22.188 1.00 3.57 C
+ATOM 898 O VAL A 122 -0.819 5.763 -22.330 1.00 3.25 O
+ATOM 899 CB VAL A 122 0.416 4.429 -19.787 1.00 3.60 C
+ATOM 900 CG1 VAL A 122 -0.415 3.135 -19.694 1.00 3.25 C
+ATOM 901 CG2 VAL A 122 1.585 4.372 -18.788 1.00 2.68 C
+ATOM 902 N THR A 123 -0.480 3.619 -22.885 1.00 3.42 N
+ATOM 903 CA THR A 123 -1.689 3.504 -23.689 1.00 3.42 C
+ATOM 904 C THR A 123 -2.621 2.543 -22.994 1.00 3.52 C
+ATOM 905 O THR A 123 -2.275 1.402 -22.687 1.00 3.37 O
+ATOM 906 CB THR A 123 -1.457 3.022 -25.116 1.00 3.43 C
+ATOM 907 OG1 THR A 123 -0.859 4.053 -25.885 1.00 4.38 O
+ATOM 908 CG2 THR A 123 -2.774 2.694 -25.831 1.00 2.96 C
+ATOM 909 N ILE A 124 -3.854 3.004 -22.731 1.00 3.53 N
+ATOM 910 CA ILE A 124 -4.940 2.237 -22.161 1.00 3.72 C
+ATOM 911 C ILE A 124 -5.985 2.162 -23.248 1.00 4.09 C
+ATOM 912 O ILE A 124 -6.547 3.178 -23.648 1.00 4.37 O
+ATOM 913 CB ILE A 124 -5.542 2.946 -20.953 1.00 3.77 C
+ATOM 914 CG1 ILE A 124 -4.452 3.368 -19.941 1.00 0.00 C
+ATOM 915 CG2 ILE A 124 -6.638 2.067 -20.303 1.00 0.00 C
+ATOM 916 CD1 ILE A 124 -3.690 2.196 -19.340 1.00 0.00 C
+ATOM 917 N GLN A 125 -6.259 0.973 -23.812 1.00 3.64 N
+ATOM 918 CA GLN A 125 -6.990 0.944 -25.063 1.00 3.63 C
+ATOM 919 C GLN A 125 -7.875 -0.273 -25.191 1.00 3.55 C
+ATOM 920 O GLN A 125 -7.552 -1.342 -24.693 1.00 3.62 O
+ATOM 921 CB GLN A 125 -5.993 1.045 -26.243 1.00 3.48 C
+ATOM 922 CG GLN A 125 -6.641 1.121 -27.639 1.00 0.00 C
+ATOM 923 CD GLN A 125 -5.628 1.435 -28.740 1.00 0.00 C
+ATOM 924 OE1 GLN A 125 -4.462 1.779 -28.532 1.00 0.00 O
+ATOM 925 NE2 GLN A 125 -6.117 1.319 -29.998 1.00 0.00 N
+ATOM 926 N ASN A 126 -9.078 -0.136 -25.801 1.00 3.59 N
+ATOM 927 CA ASN A 126 -10.024 -1.225 -26.081 1.00 3.29 C
+ATOM 928 C ASN A 126 -10.550 -2.003 -24.868 1.00 3.61 C
+ATOM 929 O ASN A 126 -11.331 -2.942 -24.999 1.00 4.30 O
+ATOM 930 CB ASN A 126 -9.452 -2.247 -27.106 1.00 3.37 C
+ATOM 931 CG ASN A 126 -9.105 -1.571 -28.426 1.00 0.00 C
+ATOM 932 OD1 ASN A 126 -9.837 -0.737 -28.964 1.00 0.00 O
+ATOM 933 ND2 ASN A 126 -7.932 -1.939 -28.994 1.00 0.00 N
+ATOM 934 N CYS A 127 -10.117 -1.647 -23.643 1.00 20.00 N
+ATOM 935 CA CYS A 127 -10.545 -2.265 -22.409 1.00 20.00 C
+ATOM 936 C CYS A 127 -12.010 -2.055 -22.109 1.00 20.00 C
+ATOM 937 O CYS A 127 -12.583 -0.998 -22.376 1.00 3.11 O
+ATOM 938 CB CYS A 127 -9.698 -1.824 -21.189 1.00 20.00 C
+ATOM 939 SG CYS A 127 -7.920 -2.110 -21.469 1.00 0.00 S
+ATOM 940 N ILE A 128 -12.635 -3.075 -21.513 1.00 3.45 N
+ATOM 941 CA ILE A 128 -14.036 -3.064 -21.173 1.00 4.24 C
+ATOM 942 C ILE A 128 -14.088 -3.056 -19.674 1.00 4.43 C
+ATOM 943 O ILE A 128 -13.659 -4.002 -19.022 1.00 4.96 O
+ATOM 944 CB ILE A 128 -14.765 -4.286 -21.730 1.00 4.26 C
+ATOM 945 CG1 ILE A 128 -14.728 -4.253 -23.279 1.00 0.00 C
+ATOM 946 CG2 ILE A 128 -16.213 -4.348 -21.183 1.00 0.00 C
+ATOM 947 CD1 ILE A 128 -15.250 -5.536 -23.938 1.00 0.00 C
+ATOM 948 N VAL A 129 -14.605 -1.978 -19.068 1.00 4.53 N
+ATOM 949 CA VAL A 129 -14.791 -1.942 -17.635 1.00 4.47 C
+ATOM 950 C VAL A 129 -16.250 -1.728 -17.372 1.00 4.70 C
+ATOM 951 O VAL A 129 -16.876 -0.774 -17.834 1.00 4.76 O
+ATOM 952 CB VAL A 129 -13.956 -0.923 -16.884 1.00 4.55 C
+ATOM 953 CG1 VAL A 129 -14.017 -1.294 -15.385 1.00 4.26 C
+ATOM 954 CG2 VAL A 129 -12.509 -0.995 -17.400 1.00 4.33 C
+ATOM 955 N LYS A 130 -16.859 -2.645 -16.627 1.00 4.70 N
+ATOM 956 CA LYS A 130 -18.265 -2.569 -16.369 1.00 4.67 C
+ATOM 957 C LYS A 130 -18.450 -3.118 -15.000 1.00 4.39 C
+ATOM 958 O LYS A 130 -17.607 -3.891 -14.572 1.00 4.25 O
+ATOM 959 CB LYS A 130 -19.107 -3.365 -17.402 1.00 4.83 C
+ATOM 960 CG LYS A 130 -18.825 -4.873 -17.418 1.00 0.00 C
+ATOM 961 CD LYS A 130 -19.718 -5.638 -18.404 1.00 0.00 C
+ATOM 962 CE LYS A 130 -19.537 -7.145 -18.199 1.00 0.00 C
+ATOM 963 NZ LYS A 130 -20.287 -7.924 -19.201 1.00 0.00 N
+ATOM 964 N ASN A 131 -19.498 -2.683 -14.268 1.00 4.22 N
+ATOM 965 CA ASN A 131 -19.686 -3.034 -12.866 1.00 4.23 C
+ATOM 966 C ASN A 131 -18.447 -2.767 -12.019 1.00 4.58 C
+ATOM 967 O ASN A 131 -17.619 -3.643 -11.806 1.00 4.35 O
+ATOM 968 CB ASN A 131 -20.173 -4.482 -12.661 1.00 4.11 C
+ATOM 969 CG ASN A 131 -21.444 -4.809 -13.425 1.00 4.08 C
+ATOM 970 OD1 ASN A 131 -22.187 -3.977 -13.951 1.00 3.08 O
+ATOM 971 ND2 ASN A 131 -21.744 -6.128 -13.450 1.00 4.44 N
+ATOM 972 N GLN A 132 -18.221 -1.508 -11.612 1.00 4.79 N
+ATOM 973 CA GLN A 132 -16.943 -1.163 -11.042 1.00 4.83 C
+ATOM 974 C GLN A 132 -16.991 0.210 -10.394 1.00 5.31 C
+ATOM 975 O GLN A 132 -17.119 1.239 -11.063 1.00 4.88 O
+ATOM 976 CB GLN A 132 -15.838 -1.167 -12.146 1.00 4.93 C
+ATOM 977 CG GLN A 132 -14.411 -0.827 -11.668 1.00 0.00 C
+ATOM 978 CD GLN A 132 -13.794 -1.897 -10.761 1.00 0.00 C
+ATOM 979 OE1 GLN A 132 -14.345 -2.299 -9.735 1.00 0.00 O
+ATOM 980 NE2 GLN A 132 -12.567 -2.354 -11.126 1.00 0.00 N
+ATOM 981 N ASP A 133 -16.877 0.269 -9.052 1.00 5.73 N
+ATOM 982 CA ASP A 133 -16.856 1.520 -8.317 1.00 6.19 C
+ATOM 983 C ASP A 133 -15.703 2.448 -8.668 1.00 6.32 C
+ATOM 984 O ASP A 133 -15.906 3.639 -8.911 1.00 6.12 O
+ATOM 985 CB ASP A 133 -16.786 1.261 -6.788 1.00 6.18 C
+ATOM 986 CG ASP A 133 -18.167 0.991 -6.214 1.00 0.00 C
+ATOM 987 OD1 ASP A 133 -19.142 0.985 -7.002 1.00 0.00 O
+ATOM 988 OD2 ASP A 133 -18.255 0.879 -4.965 1.00 0.00 O
+ATOM 989 N ASP A 134 -14.478 1.903 -8.724 1.00 6.39 N
+ATOM 990 CA ASP A 134 -13.267 2.654 -8.941 1.00 6.57 C
+ATOM 991 C ASP A 134 -12.531 1.942 -10.055 1.00 5.95 C
+ATOM 992 O ASP A 134 -12.383 0.729 -10.040 1.00 5.50 O
+ATOM 993 CB ASP A 134 -12.443 2.700 -7.635 1.00 7.13 C
+ATOM 994 CG ASP A 134 -11.342 3.738 -7.720 1.00 0.00 C
+ATOM 995 OD1 ASP A 134 -10.865 4.009 -8.852 1.00 0.00 O
+ATOM 996 OD2 ASP A 134 -11.030 4.331 -6.658 1.00 0.00 O
+ATOM 997 N CYS A 135 -12.119 2.652 -11.114 1.00 5.49 N
+ATOM 998 CA CYS A 135 -11.838 1.987 -12.368 1.00 5.33 C
+ATOM 999 C CYS A 135 -10.481 2.312 -12.952 1.00 5.44 C
+ATOM 1000 O CYS A 135 -9.985 1.524 -13.754 1.00 5.20 O
+ATOM 1001 CB CYS A 135 -12.960 2.419 -13.344 1.00 5.24 C
+ATOM 1002 SG CYS A 135 -12.830 1.864 -15.088 1.00 0.00 S
+ATOM 1003 N ILE A 136 -9.833 3.425 -12.580 1.00 4.97 N
+ATOM 1004 CA ILE A 136 -8.658 3.963 -13.269 1.00 4.68 C
+ATOM 1005 C ILE A 136 -8.157 5.150 -12.443 1.00 4.50 C
+ATOM 1006 O ILE A 136 -8.509 6.307 -12.686 1.00 4.61 O
+ATOM 1007 CB ILE A 136 -8.860 4.500 -14.724 1.00 4.27 C
+ATOM 1008 CG1 ILE A 136 -9.547 3.532 -15.726 1.00 0.00 C
+ATOM 1009 CG2 ILE A 136 -7.481 4.883 -15.301 1.00 0.00 C
+ATOM 1010 CD1 ILE A 136 -9.687 4.010 -17.174 1.00 0.00 C
+ATOM 1011 N ALA A 137 -7.303 4.931 -11.434 1.00 4.18 N
+ATOM 1012 CA ALA A 137 -6.650 6.029 -10.746 1.00 4.19 C
+ATOM 1013 C ALA A 137 -5.354 6.420 -11.445 1.00 4.09 C
+ATOM 1014 O ALA A 137 -4.563 5.567 -11.839 1.00 4.04 O
+ATOM 1015 CB ALA A 137 -6.338 5.640 -9.292 1.00 4.13 C
+ATOM 1016 N ILE A 138 -5.065 7.726 -11.631 1.00 3.83 N
+ATOM 1017 CA ILE A 138 -3.807 8.125 -12.249 1.00 3.85 C
+ATOM 1018 C ILE A 138 -3.178 9.240 -11.429 1.00 3.69 C
+ATOM 1019 O ILE A 138 -3.844 9.871 -10.612 1.00 3.39 O
+ATOM 1020 CB ILE A 138 -3.924 8.501 -13.730 1.00 3.44 C
+ATOM 1021 CG1 ILE A 138 -4.777 9.772 -13.935 1.00 0.00 C
+ATOM 1022 CG2 ILE A 138 -4.585 7.347 -14.511 1.00 0.00 C
+ATOM 1023 CD1 ILE A 138 -4.781 10.359 -15.352 1.00 0.00 C
+ATOM 1024 N ASN A 139 -1.858 9.501 -11.578 1.00 0.00 N
+ATOM 1025 CA ASN A 139 -1.175 10.397 -10.661 1.00 0.00 C
+ATOM 1026 C ASN A 139 0.040 11.035 -11.322 1.00 0.00 C
+ATOM 1027 O ASN A 139 0.340 10.742 -12.480 1.00 0.00 O
+ATOM 1028 CB ASN A 139 -0.793 9.629 -9.359 1.00 0.00 C
+ATOM 1029 CG ASN A 139 -0.822 10.565 -8.160 1.00 0.00 C
+ATOM 1030 OD1 ASN A 139 -1.200 11.729 -8.265 1.00 0.00 O
+ATOM 1031 ND2 ASN A 139 -0.443 10.051 -6.968 1.00 0.00 N
+ATOM 1032 N ASP A 140 0.725 11.966 -10.619 1.00 0.00 N
+ATOM 1033 CA ASP A 140 1.703 12.861 -11.193 1.00 0.00 C
+ATOM 1034 C ASP A 140 2.905 12.249 -11.915 1.00 0.00 C
+ATOM 1035 O ASP A 140 3.433 11.192 -11.581 1.00 0.00 O
+ATOM 1036 CB ASP A 140 2.083 14.030 -10.220 1.00 0.00 C
+ATOM 1037 CG ASP A 140 2.489 13.685 -8.782 1.00 0.00 C
+ATOM 1038 OD1 ASP A 140 1.743 12.921 -8.127 1.00 0.00 O
+ATOM 1039 OD2 ASP A 140 3.461 14.303 -8.259 1.00 0.00 O
+ATOM 1040 N GLY A 141 3.325 12.949 -12.995 1.00 0.00 N
+ATOM 1041 CA GLY A 141 4.395 12.551 -13.900 1.00 0.00 C
+ATOM 1042 C GLY A 141 3.925 11.751 -15.084 1.00 0.00 C
+ATOM 1043 O GLY A 141 4.729 11.140 -15.783 1.00 0.00 O
+ATOM 1044 N ASN A 142 2.614 11.711 -15.371 1.00 0.00 N
+ATOM 1045 CA ASN A 142 2.076 10.794 -16.360 1.00 0.00 C
+ATOM 1046 C ASN A 142 1.894 11.355 -17.770 1.00 0.00 C
+ATOM 1047 O ASN A 142 1.677 12.533 -17.990 1.00 0.00 O
+ATOM 1048 CB ASN A 142 0.788 10.130 -15.827 1.00 0.00 C
+ATOM 1049 CG ASN A 142 -0.362 11.106 -15.616 1.00 0.00 C
+ATOM 1050 OD1 ASN A 142 -0.333 12.296 -15.913 1.00 0.00 O
+ATOM 1051 ND2 ASN A 142 -1.465 10.553 -15.076 1.00 0.00 N
+ATOM 1052 N ASN A 143 1.967 10.500 -18.799 1.00 2.13 N
+ATOM 1053 CA ASN A 143 1.541 10.881 -20.131 1.00 2.00 C
+ATOM 1054 C ASN A 143 0.714 9.701 -20.580 1.00 2.27 C
+ATOM 1055 O ASN A 143 1.246 8.606 -20.742 1.00 2.00 O
+ATOM 1056 CB ASN A 143 2.769 11.150 -21.041 1.00 2.00 C
+ATOM 1057 CG ASN A 143 2.387 11.720 -22.402 1.00 0.00 C
+ATOM 1058 OD1 ASN A 143 1.257 12.127 -22.665 1.00 0.00 O
+ATOM 1059 ND2 ASN A 143 3.389 11.749 -23.311 1.00 0.00 N
+ATOM 1060 N ILE A 144 -0.617 9.851 -20.701 1.00 2.57 N
+ATOM 1061 CA ILE A 144 -1.476 8.684 -20.870 1.00 2.48 C
+ATOM 1062 C ILE A 144 -2.476 8.902 -21.974 1.00 2.69 C
+ATOM 1063 O ILE A 144 -3.165 9.917 -22.044 1.00 2.49 O
+ATOM 1064 CB ILE A 144 -2.232 8.261 -19.605 1.00 2.63 C
+ATOM 1065 CG1 ILE A 144 -1.269 8.076 -18.412 1.00 0.00 C
+ATOM 1066 CG2 ILE A 144 -3.026 6.954 -19.872 1.00 0.00 C
+ATOM 1067 CD1 ILE A 144 -2.015 7.879 -17.096 1.00 0.00 C
+ATOM 1068 N ARG A 145 -2.599 7.907 -22.864 1.00 2.55 N
+ATOM 1069 CA ARG A 145 -3.639 7.864 -23.854 1.00 2.72 C
+ATOM 1070 C ARG A 145 -4.687 6.839 -23.463 1.00 2.81 C
+ATOM 1071 O ARG A 145 -4.400 5.653 -23.323 1.00 3.18 O
+ATOM 1072 CB ARG A 145 -3.029 7.510 -25.219 1.00 2.70 C
+ATOM 1073 CG ARG A 145 -4.017 7.588 -26.396 1.00 0.00 C
+ATOM 1074 CD ARG A 145 -3.313 7.428 -27.743 1.00 0.00 C
+ATOM 1075 NE ARG A 145 -2.802 6.026 -27.778 1.00 0.00 N
+ATOM 1076 CZ ARG A 145 -2.337 5.437 -28.885 1.00 0.00 C
+ATOM 1077 NH1 ARG A 145 -2.444 4.119 -29.017 1.00 0.00 N
+ATOM 1078 NH2 ARG A 145 -1.823 6.158 -29.876 1.00 0.00 N
+ATOM 1079 N PHE A 146 -5.939 7.287 -23.286 1.00 2.47 N
+ATOM 1080 CA PHE A 146 -7.081 6.437 -23.019 1.00 2.23 C
+ATOM 1081 C PHE A 146 -7.938 6.450 -24.261 1.00 2.55 C
+ATOM 1082 O PHE A 146 -8.517 7.488 -24.592 1.00 2.45 O
+ATOM 1083 CB PHE A 146 -7.978 6.999 -21.885 1.00 2.08 C
+ATOM 1084 CG PHE A 146 -7.292 6.929 -20.559 1.00 0.00 C
+ATOM 1085 CD1 PHE A 146 -6.617 8.033 -20.007 1.00 0.00 C
+ATOM 1086 CD2 PHE A 146 -7.343 5.733 -19.838 1.00 0.00 C
+ATOM 1087 CE1 PHE A 146 -6.018 7.945 -18.743 1.00 0.00 C
+ATOM 1088 CE2 PHE A 146 -6.699 5.627 -18.605 1.00 0.00 C
+ATOM 1089 CZ PHE A 146 -6.043 6.729 -18.051 1.00 0.00 C
+ATOM 1090 N GLU A 147 -8.058 5.324 -24.987 1.00 2.32 N
+ATOM 1091 CA GLU A 147 -8.824 5.351 -26.218 1.00 2.27 C
+ATOM 1092 C GLU A 147 -9.576 4.074 -26.538 1.00 2.39 C
+ATOM 1093 O GLU A 147 -9.131 2.953 -26.309 1.00 2.00 O
+ATOM 1094 CB GLU A 147 -7.994 5.858 -27.432 1.00 2.85 C
+ATOM 1095 CG GLU A 147 -6.852 4.925 -27.897 1.00 0.00 C
+ATOM 1096 CD GLU A 147 -6.000 5.510 -29.019 1.00 0.00 C
+ATOM 1097 OE1 GLU A 147 -6.132 6.716 -29.357 1.00 0.00 O
+ATOM 1098 OE2 GLU A 147 -5.139 4.749 -29.531 1.00 0.00 O
+ATOM 1099 N ASN A 148 -10.815 4.228 -27.050 1.00 2.46 N
+ATOM 1100 CA ASN A 148 -11.730 3.149 -27.402 1.00 2.44 C
+ATOM 1101 C ASN A 148 -12.103 2.226 -26.236 1.00 2.65 C
+ATOM 1102 O ASN A 148 -12.479 1.071 -26.421 1.00 2.53 O
+ATOM 1103 CB ASN A 148 -11.214 2.320 -28.609 1.00 2.00 C
+ATOM 1104 CG ASN A 148 -10.945 3.243 -29.790 1.00 0.00 C
+ATOM 1105 OD1 ASN A 148 -11.583 4.277 -29.991 1.00 0.00 O
+ATOM 1106 ND2 ASN A 148 -9.953 2.861 -30.626 1.00 0.00 N
+ATOM 1107 N ASN A 149 -12.024 2.717 -24.985 1.00 2.96 N
+ATOM 1108 CA ASN A 149 -12.473 2.004 -23.809 1.00 3.42 C
+ATOM 1109 C ASN A 149 -13.992 2.013 -23.700 1.00 3.67 C
+ATOM 1110 O ASN A 149 -14.664 2.979 -24.067 1.00 3.29 O
+ATOM 1111 CB ASN A 149 -11.886 2.598 -22.496 1.00 3.40 C
+ATOM 1112 CG ASN A 149 -10.362 2.618 -22.496 1.00 3.88 C
+ATOM 1113 OD1 ASN A 149 -9.720 3.653 -22.320 1.00 5.22 O
+ATOM 1114 ND2 ASN A 149 -9.748 1.423 -22.638 1.00 2.00 N
+ATOM 1115 N GLN A 150 -14.564 0.932 -23.145 1.00 3.92 N
+ATOM 1116 CA GLN A 150 -15.985 0.837 -22.890 1.00 4.31 C
+ATOM 1117 C GLN A 150 -16.204 0.875 -21.400 1.00 4.74 C
+ATOM 1118 O GLN A 150 -15.759 -0.012 -20.676 1.00 4.78 O
+ATOM 1119 CB GLN A 150 -16.569 -0.493 -23.426 1.00 4.40 C
+ATOM 1120 CG GLN A 150 -18.063 -0.742 -23.094 1.00 0.00 C
+ATOM 1121 CD GLN A 150 -18.961 0.340 -23.695 1.00 0.00 C
+ATOM 1122 OE1 GLN A 150 -19.045 0.509 -24.910 1.00 0.00 O
+ATOM 1123 NE2 GLN A 150 -19.663 1.112 -22.832 1.00 0.00 N
+ATOM 1124 N CYS A 151 -16.902 1.909 -20.899 1.00 5.03 N
+ATOM 1125 CA CYS A 151 -17.089 2.087 -19.473 1.00 5.38 C
+ATOM 1126 C CYS A 151 -18.573 2.098 -19.166 1.00 5.65 C
+ATOM 1127 O CYS A 151 -19.303 2.994 -19.585 1.00 5.41 O
+ATOM 1128 CB CYS A 151 -16.388 3.378 -19.003 1.00 5.36 C
+ATOM 1129 SG CYS A 151 -14.607 3.308 -19.416 1.00 0.00 S
+ATOM 1130 N SER A 152 -19.070 1.045 -18.481 1.00 5.78 N
+ATOM 1131 CA SER A 152 -20.507 0.791 -18.380 1.00 6.25 C
+ATOM 1132 C SER A 152 -20.950 0.377 -16.987 1.00 6.63 C
+ATOM 1133 O SER A 152 -20.610 -0.701 -16.519 1.00 6.97 O
+ATOM 1134 CB SER A 152 -20.911 -0.348 -19.357 1.00 6.46 C
+ATOM 1135 OG SER A 152 -22.328 -0.516 -19.455 1.00 0.00 O
+ATOM 1136 N GLY A 153 -21.762 1.171 -16.260 1.00 6.63 N
+ATOM 1137 CA GLY A 153 -22.205 0.733 -14.930 1.00 6.98 C
+ATOM 1138 C GLY A 153 -21.171 0.906 -13.845 1.00 6.33 C
+ATOM 1139 O GLY A 153 -20.941 0.015 -13.033 1.00 6.41 O
+ATOM 1140 N GLY A 154 -20.492 2.066 -13.824 1.00 5.80 N
+ATOM 1141 CA GLY A 154 -19.431 2.351 -12.862 1.00 5.20 C
+ATOM 1142 C GLY A 154 -19.772 3.523 -11.987 1.00 5.32 C
+ATOM 1143 O GLY A 154 -20.499 4.422 -12.396 1.00 4.95 O
+ATOM 1144 N HIS A 155 -19.248 3.572 -10.747 1.00 5.38 N
+ATOM 1145 CA HIS A 155 -19.588 4.675 -9.855 1.00 6.05 C
+ATOM 1146 C HIS A 155 -18.801 5.943 -10.139 1.00 5.51 C
+ATOM 1147 O HIS A 155 -19.355 7.014 -10.361 1.00 5.05 O
+ATOM 1148 CB HIS A 155 -19.384 4.298 -8.369 1.00 6.31 C
+ATOM 1149 CG HIS A 155 -19.676 5.426 -7.431 1.00 0.00 C
+ATOM 1150 ND1 HIS A 155 -20.953 5.946 -7.357 1.00 0.00 N
+ATOM 1151 CD2 HIS A 155 -18.806 6.209 -6.743 1.00 0.00 C
+ATOM 1152 CE1 HIS A 155 -20.837 7.034 -6.629 1.00 0.00 C
+ATOM 1153 NE2 HIS A 155 -19.558 7.242 -6.229 1.00 0.00 N
+ATOM 1154 N GLY A 156 -17.467 5.866 -10.178 1.00 5.11 N
+ATOM 1155 CA GLY A 156 -16.671 7.016 -10.532 1.00 4.93 C
+ATOM 1156 C GLY A 156 -15.503 6.515 -11.294 1.00 4.66 C
+ATOM 1157 O GLY A 156 -15.343 5.315 -11.507 1.00 4.44 O
+ATOM 1158 N ILE A 157 -14.606 7.435 -11.687 1.00 0.00 N
+ATOM 1159 CA ILE A 157 -13.206 7.120 -11.934 1.00 0.00 C
+ATOM 1160 C ILE A 157 -12.995 6.457 -13.293 1.00 0.00 C
+ATOM 1161 O ILE A 157 -11.899 6.180 -13.767 1.00 0.00 O
+ATOM 1162 CB ILE A 157 -12.554 6.402 -10.731 1.00 0.00 C
+ATOM 1163 CG1 ILE A 157 -12.903 7.216 -9.450 1.00 0.00 C
+ATOM 1164 CG2 ILE A 157 -11.048 6.279 -11.031 1.00 0.00 C
+ATOM 1165 CD1 ILE A 157 -12.028 7.108 -8.197 1.00 0.00 C
+ATOM 1166 N SER A 158 -14.082 6.203 -14.023 1.00 0.00 N
+ATOM 1167 CA SER A 158 -14.055 5.203 -15.055 1.00 0.00 C
+ATOM 1168 C SER A 158 -13.894 5.755 -16.422 1.00 0.00 C
+ATOM 1169 O SER A 158 -13.327 5.107 -17.295 1.00 0.00 O
+ATOM 1170 CB SER A 158 -15.348 4.348 -14.953 1.00 0.00 C
+ATOM 1171 OG SER A 158 -16.506 5.166 -14.771 1.00 0.00 O
+ATOM 1172 N ILE A 159 -14.329 6.991 -16.648 1.00 0.00 N
+ATOM 1173 CA ILE A 159 -14.336 7.570 -17.966 1.00 0.00 C
+ATOM 1174 C ILE A 159 -13.333 8.647 -17.916 1.00 0.00 C
+ATOM 1175 O ILE A 159 -13.561 9.681 -17.314 1.00 0.00 O
+ATOM 1176 CB ILE A 159 -15.699 8.142 -18.265 1.00 0.00 C
+ATOM 1177 CG1 ILE A 159 -16.684 6.977 -18.144 1.00 0.00 C
+ATOM 1178 CG2 ILE A 159 -15.763 8.817 -19.651 1.00 0.00 C
+ATOM 1179 CD1 ILE A 159 -17.552 7.092 -16.901 1.00 0.00 C
+ATOM 1180 N GLY A 160 -12.149 8.425 -18.493 1.00 0.00 N
+ATOM 1181 CA GLY A 160 -11.151 9.473 -18.444 1.00 0.00 C
+ATOM 1182 C GLY A 160 -10.463 9.676 -17.123 1.00 0.00 C
+ATOM 1183 O GLY A 160 -9.754 10.661 -16.963 1.00 0.00 O
+ATOM 1184 N SER A 161 -10.652 8.724 -16.188 1.00 3.61 N
+ATOM 1185 CA SER A 161 -9.918 8.610 -14.933 1.00 3.35 C
+ATOM 1186 C SER A 161 -10.032 9.735 -13.902 1.00 3.19 C
+ATOM 1187 O SER A 161 -10.743 10.727 -14.072 1.00 3.14 O
+ATOM 1188 CB SER A 161 -8.442 8.194 -15.208 1.00 3.49 C
+ATOM 1189 OG SER A 161 -7.638 9.221 -15.772 1.00 0.00 O
+ATOM 1190 N ILE A 162 -9.357 9.560 -12.737 1.00 2.85 N
+ATOM 1191 CA ILE A 162 -9.077 10.645 -11.797 1.00 2.99 C
+ATOM 1192 C ILE A 162 -7.699 11.178 -12.118 1.00 3.14 C
+ATOM 1193 O ILE A 162 -6.688 10.592 -11.739 1.00 3.20 O
+ATOM 1194 CB ILE A 162 -9.064 10.231 -10.311 1.00 2.76 C
+ATOM 1195 CG1 ILE A 162 -10.405 9.659 -9.801 1.00 0.00 C
+ATOM 1196 CG2 ILE A 162 -8.651 11.411 -9.396 1.00 0.00 C
+ATOM 1197 CD1 ILE A 162 -11.644 10.435 -10.242 1.00 0.00 C
+ATOM 1198 N ALA A 163 -7.616 12.321 -12.810 1.00 3.01 N
+ATOM 1199 CA ALA A 163 -6.360 12.921 -13.168 1.00 2.87 C
+ATOM 1200 C ALA A 163 -5.821 13.869 -12.111 1.00 2.70 C
+ATOM 1201 O ALA A 163 -6.299 14.979 -11.894 1.00 2.76 O
+ATOM 1202 CB ALA A 163 -6.438 13.597 -14.542 1.00 3.03 C
+ATOM 1203 N THR A 164 -4.735 13.436 -11.465 1.00 2.78 N
+ATOM 1204 CA THR A 164 -3.903 14.252 -10.594 1.00 2.82 C
+ATOM 1205 C THR A 164 -2.599 14.370 -11.338 1.00 2.94 C
+ATOM 1206 O THR A 164 -2.139 13.382 -11.903 1.00 2.73 O
+ATOM 1207 CB THR A 164 -3.683 13.598 -9.239 1.00 2.86 C
+ATOM 1208 OG1 THR A 164 -4.904 13.541 -8.519 1.00 0.00 O
+ATOM 1209 CG2 THR A 164 -2.715 14.395 -8.356 1.00 0.00 C
+ATOM 1210 N GLY A 165 -2.006 15.590 -11.434 1.00 0.00 N
+ATOM 1211 CA GLY A 165 -0.781 15.824 -12.175 1.00 0.00 C
+ATOM 1212 C GLY A 165 0.146 16.801 -11.482 1.00 0.00 C
+ATOM 1213 O GLY A 165 -0.230 17.590 -10.620 1.00 0.00 O
+ATOM 1214 N LYS A 166 1.419 16.786 -11.883 1.00 0.00 N
+ATOM 1215 CA LYS A 166 2.430 17.766 -11.568 1.00 0.00 C
+ATOM 1216 C LYS A 166 3.369 17.730 -12.747 1.00 0.00 C
+ATOM 1217 O LYS A 166 3.337 16.771 -13.516 1.00 0.00 O
+ATOM 1218 CB LYS A 166 3.232 17.536 -10.287 1.00 0.00 C
+ATOM 1219 CG LYS A 166 2.398 17.605 -9.007 1.00 0.00 C
+ATOM 1220 CD LYS A 166 3.299 17.378 -7.800 1.00 0.00 C
+ATOM 1221 CE LYS A 166 2.480 16.920 -6.603 1.00 0.00 C
+ATOM 1222 NZ LYS A 166 3.361 16.182 -5.689 1.00 0.00 N
+ATOM 1223 N HIS A 167 4.084 18.855 -12.966 1.00 0.00 N
+ATOM 1224 CA HIS A 167 4.906 19.253 -14.105 1.00 0.00 C
+ATOM 1225 C HIS A 167 5.314 18.143 -15.098 1.00 0.00 C
+ATOM 1226 O HIS A 167 5.960 17.180 -14.701 1.00 0.00 O
+ATOM 1227 CB HIS A 167 6.128 20.036 -13.545 1.00 0.00 C
+ATOM 1228 CG HIS A 167 6.907 20.815 -14.554 1.00 0.00 C
+ATOM 1229 ND1 HIS A 167 7.878 20.156 -15.265 1.00 0.00 N
+ATOM 1230 CD2 HIS A 167 6.872 22.125 -14.908 1.00 0.00 C
+ATOM 1231 CE1 HIS A 167 8.424 21.064 -16.039 1.00 0.00 C
+ATOM 1232 NE2 HIS A 167 7.852 22.278 -15.862 1.00 0.00 N
+ATOM 1233 N VAL A 168 4.870 18.242 -16.390 1.00 0.00 N
+ATOM 1234 CA VAL A 168 5.111 17.290 -17.498 1.00 0.00 C
+ATOM 1235 C VAL A 168 4.035 16.215 -17.595 1.00 0.00 C
+ATOM 1236 O VAL A 168 3.975 15.430 -18.540 1.00 0.00 O
+ATOM 1237 CB VAL A 168 6.562 16.791 -17.635 1.00 0.00 C
+ATOM 1238 CG1 VAL A 168 6.794 15.686 -18.709 1.00 0.00 C
+ATOM 1239 CG2 VAL A 168 7.395 18.030 -18.004 1.00 0.00 C
+ATOM 1240 N SER A 169 3.051 16.227 -16.671 1.00 0.00 N
+ATOM 1241 CA SER A 169 1.842 15.425 -16.796 1.00 0.00 C
+ATOM 1242 C SER A 169 0.983 15.833 -18.000 1.00 0.00 C
+ATOM 1243 O SER A 169 1.035 16.992 -18.419 1.00 0.00 O
+ATOM 1244 CB SER A 169 0.957 15.401 -15.527 1.00 0.00 C
+ATOM 1245 OG SER A 169 1.682 14.913 -14.403 1.00 0.00 O
+ATOM 1246 N ASN A 170 0.209 14.893 -18.608 1.00 2.80 N
+ATOM 1247 CA ASN A 170 -0.713 15.174 -19.706 1.00 2.85 C
+ATOM 1248 C ASN A 170 -1.609 13.949 -19.918 1.00 2.97 C
+ATOM 1249 O ASN A 170 -1.154 12.820 -19.730 1.00 2.81 O
+ATOM 1250 CB ASN A 170 0.100 15.441 -21.011 1.00 2.94 C
+ATOM 1251 CG ASN A 170 -0.694 16.177 -22.087 1.00 0.00 C
+ATOM 1252 OD1 ASN A 170 -1.693 15.696 -22.618 1.00 0.00 O
+ATOM 1253 ND2 ASN A 170 -0.220 17.389 -22.463 1.00 0.00 N
+ATOM 1254 N VAL A 171 -2.883 14.102 -20.357 1.00 2.84 N
+ATOM 1255 CA VAL A 171 -3.670 12.947 -20.789 1.00 3.14 C
+ATOM 1256 C VAL A 171 -4.496 13.220 -22.041 1.00 2.97 C
+ATOM 1257 O VAL A 171 -5.089 14.278 -22.248 1.00 2.97 O
+ATOM 1258 CB VAL A 171 -4.586 12.310 -19.728 1.00 3.07 C
+ATOM 1259 CG1 VAL A 171 -3.752 11.772 -18.547 1.00 0.00 C
+ATOM 1260 CG2 VAL A 171 -5.655 13.294 -19.215 1.00 0.00 C
+ATOM 1261 N VAL A 172 -4.568 12.212 -22.932 1.00 2.75 N
+ATOM 1262 CA VAL A 172 -5.358 12.257 -24.152 1.00 2.49 C
+ATOM 1263 C VAL A 172 -6.440 11.212 -24.022 1.00 2.59 C
+ATOM 1264 O VAL A 172 -6.174 10.020 -23.892 1.00 2.62 O
+ATOM 1265 CB VAL A 172 -4.536 11.987 -25.410 1.00 2.01 C
+ATOM 1266 CG1 VAL A 172 -5.430 12.073 -26.668 1.00 0.00 C
+ATOM 1267 CG2 VAL A 172 -3.400 13.026 -25.485 1.00 0.00 C
+ATOM 1268 N ILE A 173 -7.713 11.630 -24.017 1.00 2.48 N
+ATOM 1269 CA ILE A 173 -8.827 10.746 -23.738 1.00 2.66 C
+ATOM 1270 C ILE A 173 -9.756 10.843 -24.922 1.00 2.60 C
+ATOM 1271 O ILE A 173 -10.402 11.863 -25.130 1.00 2.50 O
+ATOM 1272 CB ILE A 173 -9.516 11.151 -22.429 1.00 2.66 C
+ATOM 1273 CG1 ILE A 173 -8.536 10.953 -21.247 1.00 2.48 C
+ATOM 1274 CG2 ILE A 173 -10.812 10.339 -22.194 1.00 2.67 C
+ATOM 1275 CD1 ILE A 173 -8.950 11.644 -19.950 1.00 2.00 C
+ATOM 1276 N LYS A 174 -9.851 9.791 -25.760 1.00 2.40 N
+ATOM 1277 CA LYS A 174 -10.589 9.931 -27.002 1.00 2.37 C
+ATOM 1278 C LYS A 174 -11.238 8.655 -27.497 1.00 2.63 C
+ATOM 1279 O LYS A 174 -10.750 7.554 -27.289 1.00 2.81 O
+ATOM 1280 CB LYS A 174 -9.704 10.546 -28.109 1.00 2.26 C
+ATOM 1281 CG LYS A 174 -8.504 9.699 -28.532 1.00 0.00 C
+ATOM 1282 CD LYS A 174 -7.718 10.414 -29.635 1.00 0.00 C
+ATOM 1283 CE LYS A 174 -6.644 9.513 -30.229 1.00 0.00 C
+ATOM 1284 NZ LYS A 174 -5.960 10.214 -31.331 1.00 0.00 N
+ATOM 1285 N GLY A 175 -12.430 8.745 -28.122 1.00 2.69 N
+ATOM 1286 CA GLY A 175 -13.113 7.579 -28.700 1.00 2.63 C
+ATOM 1287 C GLY A 175 -13.766 6.648 -27.702 1.00 2.79 C
+ATOM 1288 O GLY A 175 -14.387 5.654 -28.056 1.00 2.87 O
+ATOM 1289 N ASN A 176 -13.632 6.947 -26.398 1.00 2.87 N
+ATOM 1290 CA ASN A 176 -14.203 6.156 -25.320 1.00 2.85 C
+ATOM 1291 C ASN A 176 -15.716 6.286 -25.224 1.00 3.00 C
+ATOM 1292 O ASN A 176 -16.273 7.363 -25.443 1.00 2.59 O
+ATOM 1293 CB ASN A 176 -13.581 6.486 -23.936 1.00 2.74 C
+ATOM 1294 CG ASN A 176 -12.070 6.392 -24.052 1.00 2.78 C
+ATOM 1295 OD1 ASN A 176 -11.532 5.328 -24.333 1.00 3.81 O
+ATOM 1296 ND2 ASN A 176 -11.346 7.513 -23.860 1.00 2.44 N
+ATOM 1297 N THR A 177 -16.398 5.192 -24.840 1.00 3.35 N
+ATOM 1298 CA THR A 177 -17.855 5.142 -24.760 1.00 3.65 C
+ATOM 1299 C THR A 177 -18.264 5.012 -23.327 1.00 4.07 C
+ATOM 1300 O THR A 177 -17.809 4.123 -22.604 1.00 4.36 O
+ATOM 1301 CB THR A 177 -18.472 3.963 -25.503 1.00 3.69 C
+ATOM 1302 OG1 THR A 177 -18.282 4.136 -26.896 1.00 0.00 O
+ATOM 1303 CG2 THR A 177 -19.995 3.848 -25.304 1.00 0.00 C
+ATOM 1304 N VAL A 178 -19.166 5.902 -22.879 1.00 4.13 N
+ATOM 1305 CA VAL A 178 -19.703 5.863 -21.537 1.00 3.94 C
+ATOM 1306 C VAL A 178 -21.197 5.659 -21.533 1.00 4.09 C
+ATOM 1307 O VAL A 178 -21.940 6.230 -22.329 1.00 4.27 O
+ATOM 1308 CB VAL A 178 -19.320 7.080 -20.713 1.00 3.67 C
+ATOM 1309 CG1 VAL A 178 -19.783 8.417 -21.303 1.00 0.00 C
+ATOM 1310 CG2 VAL A 178 -19.881 6.923 -19.286 1.00 0.00 C
+ATOM 1311 N THR A 179 -21.661 4.799 -20.610 1.00 4.12 N
+ATOM 1312 CA THR A 179 -23.067 4.632 -20.315 1.00 4.29 C
+ATOM 1313 C THR A 179 -23.187 4.255 -18.853 1.00 4.31 C
+ATOM 1314 O THR A 179 -22.342 3.550 -18.305 1.00 4.03 O
+ATOM 1315 CB THR A 179 -23.733 3.613 -21.234 1.00 4.02 C
+ATOM 1316 OG1 THR A 179 -25.100 3.376 -20.918 1.00 0.00 O
+ATOM 1317 CG2 THR A 179 -22.998 2.266 -21.185 1.00 0.00 C
+ATOM 1318 N ARG A 180 -24.229 4.754 -18.156 1.00 4.38 N
+ATOM 1319 CA ARG A 180 -24.512 4.449 -16.760 1.00 4.44 C
+ATOM 1320 C ARG A 180 -23.372 4.688 -15.792 1.00 4.49 C
+ATOM 1321 O ARG A 180 -22.866 3.766 -15.157 1.00 3.74 O
+ATOM 1322 CB ARG A 180 -25.099 3.036 -16.565 1.00 4.46 C
+ATOM 1323 CG ARG A 180 -26.422 2.859 -17.319 1.00 0.00 C
+ATOM 1324 CD ARG A 180 -27.045 1.488 -17.092 1.00 0.00 C
+ATOM 1325 NE ARG A 180 -28.321 1.505 -17.870 1.00 0.00 N
+ATOM 1326 CZ ARG A 180 -29.164 0.470 -17.962 1.00 0.00 C
+ATOM 1327 NH1 ARG A 180 -30.269 0.595 -18.694 1.00 0.00 N
+ATOM 1328 NH2 ARG A 180 -28.924 -0.679 -17.339 1.00 0.00 N
+ATOM 1329 N SER A 181 -22.929 5.946 -15.677 1.00 4.82 N
+ATOM 1330 CA SER A 181 -21.870 6.310 -14.766 1.00 4.86 C
+ATOM 1331 C SER A 181 -22.345 7.364 -13.808 1.00 5.03 C
+ATOM 1332 O SER A 181 -23.015 8.323 -14.186 1.00 5.20 O
+ATOM 1333 CB SER A 181 -20.611 6.801 -15.506 1.00 4.87 C
+ATOM 1334 OG SER A 181 -19.599 7.217 -14.588 1.00 0.00 O
+ATOM 1335 N MET A 182 -21.974 7.239 -12.524 1.00 0.00 N
+ATOM 1336 CA MET A 182 -22.400 8.191 -11.522 1.00 0.00 C
+ATOM 1337 C MET A 182 -21.411 9.334 -11.393 1.00 0.00 C
+ATOM 1338 O MET A 182 -21.676 10.282 -10.655 1.00 0.00 O
+ATOM 1339 CB MET A 182 -22.596 7.504 -10.149 1.00 0.00 C
+ATOM 1340 CG MET A 182 -23.711 6.439 -10.138 1.00 0.00 C
+ATOM 1341 SD MET A 182 -25.356 7.032 -10.658 1.00 0.00 S
+ATOM 1342 CE MET A 182 -25.613 8.235 -9.322 1.00 0.00 C
+ATOM 1343 N TYR A 183 -20.313 9.306 -12.189 1.00 0.00 N
+ATOM 1344 CA TYR A 183 -19.285 10.322 -12.215 1.00 0.00 C
+ATOM 1345 C TYR A 183 -18.130 9.941 -13.170 1.00 0.00 C
+ATOM 1346 O TYR A 183 -17.621 8.822 -13.176 1.00 0.00 O
+ATOM 1347 CB TYR A 183 -18.751 10.615 -10.789 1.00 0.00 C
+ATOM 1348 CG TYR A 183 -17.908 11.832 -10.849 1.00 0.00 C
+ATOM 1349 CD1 TYR A 183 -18.402 13.094 -11.240 1.00 0.00 C
+ATOM 1350 CD2 TYR A 183 -16.550 11.645 -10.655 1.00 0.00 C
+ATOM 1351 CE1 TYR A 183 -17.511 14.170 -11.404 1.00 0.00 C
+ATOM 1352 CE2 TYR A 183 -15.684 12.720 -10.785 1.00 0.00 C
+ATOM 1353 CZ TYR A 183 -16.149 13.987 -11.135 1.00 0.00 C
+ATOM 1354 OH TYR A 183 -15.227 15.050 -11.109 1.00 0.00 O
+ATOM 1355 N GLY A 184 -17.696 10.882 -14.047 1.00 0.00 N
+ATOM 1356 CA GLY A 184 -16.780 10.591 -15.156 1.00 0.00 C
+ATOM 1357 C GLY A 184 -15.359 11.064 -14.992 1.00 0.00 C
+ATOM 1358 O GLY A 184 -14.660 10.681 -14.056 1.00 0.00 O
+ATOM 1359 N VAL A 185 -14.907 11.892 -15.963 1.00 3.63 N
+ATOM 1360 CA VAL A 185 -13.586 12.484 -16.079 1.00 3.40 C
+ATOM 1361 C VAL A 185 -13.417 13.491 -14.970 1.00 3.45 C
+ATOM 1362 O VAL A 185 -14.091 14.521 -14.925 1.00 3.36 O
+ATOM 1363 CB VAL A 185 -13.324 13.225 -17.412 1.00 3.50 C
+ATOM 1364 CG1 VAL A 185 -11.819 13.548 -17.546 1.00 0.00 C
+ATOM 1365 CG2 VAL A 185 -13.814 12.463 -18.661 1.00 0.00 C
+ATOM 1366 N ARG A 186 -12.489 13.222 -14.048 1.00 3.12 N
+ATOM 1367 CA ARG A 186 -12.166 14.161 -13.007 1.00 3.09 C
+ATOM 1368 C ARG A 186 -10.761 14.566 -13.279 1.00 3.11 C
+ATOM 1369 O ARG A 186 -9.857 13.746 -13.195 1.00 3.21 O
+ATOM 1370 CB ARG A 186 -12.161 13.476 -11.626 1.00 3.03 C
+ATOM 1371 CG ARG A 186 -12.119 14.407 -10.393 1.00 0.00 C
+ATOM 1372 CD ARG A 186 -12.537 13.727 -9.075 1.00 0.00 C
+ATOM 1373 NE ARG A 186 -12.482 14.711 -7.971 1.00 0.00 N
+ATOM 1374 CZ ARG A 186 -12.725 14.412 -6.690 1.00 0.00 C
+ATOM 1375 NH1 ARG A 186 -12.551 15.353 -5.770 1.00 0.00 N
+ATOM 1376 NH2 ARG A 186 -13.139 13.205 -6.315 1.00 0.00 N
+ATOM 1377 N ILE A 187 -10.509 15.838 -13.579 1.00 3.06 N
+ATOM 1378 CA ILE A 187 -9.141 16.307 -13.697 1.00 2.93 C
+ATOM 1379 C ILE A 187 -8.743 17.002 -12.405 1.00 2.80 C
+ATOM 1380 O ILE A 187 -7.695 17.636 -12.289 1.00 2.83 O
+ATOM 1381 CB ILE A 187 -8.918 17.155 -14.939 1.00 3.10 C
+ATOM 1382 CG1 ILE A 187 -9.952 18.296 -15.078 1.00 0.00 C
+ATOM 1383 CG2 ILE A 187 -8.986 16.200 -16.154 1.00 0.00 C
+ATOM 1384 CD1 ILE A 187 -9.703 19.187 -16.302 1.00 0.00 C
+ATOM 1385 N LYS A 188 -9.612 16.917 -11.381 1.00 0.00 N
+ATOM 1386 CA LYS A 188 -9.495 17.827 -10.270 1.00 0.00 C
+ATOM 1387 C LYS A 188 -9.940 17.404 -8.901 1.00 0.00 C
+ATOM 1388 O LYS A 188 -10.955 16.750 -8.692 1.00 0.00 O
+ATOM 1389 CB LYS A 188 -10.221 19.132 -10.620 1.00 0.00 C
+ATOM 1390 CG LYS A 188 -11.679 19.087 -11.081 1.00 0.00 C
+ATOM 1391 CD LYS A 188 -12.102 20.521 -11.419 1.00 0.00 C
+ATOM 1392 CE LYS A 188 -11.555 21.069 -12.745 1.00 0.00 C
+ATOM 1393 NZ LYS A 188 -12.394 22.237 -13.088 1.00 0.00 N
+ATOM 1394 N ALA A 189 -9.197 17.879 -7.892 1.00 0.00 N
+ATOM 1395 CA ALA A 189 -9.417 17.650 -6.487 1.00 0.00 C
+ATOM 1396 C ALA A 189 -9.739 18.994 -5.848 1.00 0.00 C
+ATOM 1397 O ALA A 189 -9.173 20.020 -6.198 1.00 0.00 O
+ATOM 1398 CB ALA A 189 -8.159 17.030 -5.847 1.00 0.00 C
+ATOM 1399 N GLN A 190 -10.732 19.043 -4.934 1.00 0.00 N
+ATOM 1400 CA GLN A 190 -11.117 20.259 -4.218 1.00 0.00 C
+ATOM 1401 C GLN A 190 -11.562 21.452 -5.080 1.00 0.00 C
+ATOM 1402 O GLN A 190 -11.508 22.606 -4.648 1.00 0.00 O
+ATOM 1403 CB GLN A 190 -10.035 20.669 -3.181 1.00 0.00 C
+ATOM 1404 CG GLN A 190 -9.784 19.619 -2.070 1.00 0.00 C
+ATOM 1405 CD GLN A 190 -11.057 19.391 -1.255 1.00 0.00 C
+ATOM 1406 OE1 GLN A 190 -11.845 20.305 -1.013 1.00 0.00 O
+ATOM 1407 NE2 GLN A 190 -11.302 18.127 -0.838 1.00 0.00 N
+ATOM 1408 N ARG A 191 -12.075 21.144 -6.298 1.00 0.00 N
+ATOM 1409 CA ARG A 191 -12.631 22.023 -7.329 1.00 0.00 C
+ATOM 1410 C ARG A 191 -11.585 22.456 -8.366 1.00 0.00 C
+ATOM 1411 O ARG A 191 -11.916 23.102 -9.364 1.00 0.00 O
+ATOM 1412 CB ARG A 191 -13.348 23.315 -6.839 1.00 0.00 C
+ATOM 1413 CG ARG A 191 -14.456 23.157 -5.772 1.00 0.00 C
+ATOM 1414 CD ARG A 191 -14.680 24.453 -4.981 1.00 0.00 C
+ATOM 1415 NE ARG A 191 -13.396 24.680 -4.246 1.00 0.00 N
+ATOM 1416 CZ ARG A 191 -13.025 25.829 -3.672 1.00 0.00 C
+ATOM 1417 NH1 ARG A 191 -11.829 25.906 -3.093 1.00 0.00 N
+ATOM 1418 NH2 ARG A 191 -13.818 26.895 -3.681 1.00 0.00 N
+ATOM 1419 N THR A 192 -10.295 22.099 -8.198 1.00 0.00 N
+ATOM 1420 CA THR A 192 -9.232 22.602 -9.069 1.00 0.00 C
+ATOM 1421 C THR A 192 -8.299 21.512 -9.494 1.00 0.00 C
+ATOM 1422 O THR A 192 -8.014 20.549 -8.790 1.00 0.00 O
+ATOM 1423 CB THR A 192 -8.394 23.763 -8.532 1.00 0.00 C
+ATOM 1424 OG1 THR A 192 -7.957 23.537 -7.202 1.00 0.00 O
+ATOM 1425 CG2 THR A 192 -9.261 25.039 -8.552 1.00 0.00 C
+ATOM 1426 N ALA A 193 -7.875 21.576 -10.769 1.00 0.00 N
+ATOM 1427 CA ALA A 193 -7.038 20.552 -11.341 1.00 0.00 C
+ATOM 1428 C ALA A 193 -5.646 20.641 -10.760 1.00 0.00 C
+ATOM 1429 O ALA A 193 -5.057 21.723 -10.718 1.00 0.00 O
+ATOM 1430 CB ALA A 193 -7.077 20.645 -12.877 1.00 0.00 C
+ATOM 1431 N THR A 194 -5.108 19.514 -10.243 1.00 2.36 N
+ATOM 1432 CA THR A 194 -3.798 19.477 -9.618 1.00 2.12 C
+ATOM 1433 C THR A 194 -2.730 19.852 -10.615 1.00 2.15 C
+ATOM 1434 O THR A 194 -2.364 19.105 -11.520 1.00 2.02 O
+ATOM 1435 CB THR A 194 -3.460 18.157 -8.949 1.00 2.20 C
+ATOM 1436 OG1 THR A 194 -4.497 17.791 -8.046 1.00 0.00 O
+ATOM 1437 CG2 THR A 194 -2.172 18.278 -8.115 1.00 0.00 C
+ATOM 1438 N SER A 195 -2.272 21.102 -10.472 1.00 0.00 N
+ATOM 1439 CA SER A 195 -1.307 21.759 -11.331 1.00 0.00 C
+ATOM 1440 C SER A 195 -1.896 22.284 -12.645 1.00 0.00 C
+ATOM 1441 O SER A 195 -1.168 22.665 -13.558 1.00 0.00 O
+ATOM 1442 CB SER A 195 -0.024 20.926 -11.600 1.00 0.00 C
+ATOM 1443 OG SER A 195 0.516 20.367 -10.403 1.00 0.00 O
+ATOM 1444 N ALA A 196 -3.238 22.371 -12.754 1.00 0.00 N
+ATOM 1445 CA ALA A 196 -3.977 22.979 -13.850 1.00 0.00 C
+ATOM 1446 C ALA A 196 -3.798 22.360 -15.240 1.00 0.00 C
+ATOM 1447 O ALA A 196 -4.355 21.309 -15.544 1.00 0.00 O
+ATOM 1448 CB ALA A 196 -3.779 24.509 -13.842 1.00 0.00 C
+ATOM 1449 N SER A 197 -3.025 23.020 -16.135 1.00 0.00 N
+ATOM 1450 CA SER A 197 -2.766 22.626 -17.525 1.00 0.00 C
+ATOM 1451 C SER A 197 -2.032 21.313 -17.635 1.00 0.00 C
+ATOM 1452 O SER A 197 -2.139 20.591 -18.620 1.00 0.00 O
+ATOM 1453 CB SER A 197 -1.910 23.683 -18.283 1.00 0.00 C
+ATOM 1454 OG SER A 197 -0.734 24.033 -17.544 1.00 0.00 O
+ATOM 1455 N VAL A 198 -1.271 21.009 -16.582 1.00 0.00 N
+ATOM 1456 CA VAL A 198 -0.531 19.807 -16.320 1.00 0.00 C
+ATOM 1457 C VAL A 198 -1.388 18.550 -16.154 1.00 0.00 C
+ATOM 1458 O VAL A 198 -1.080 17.518 -16.725 1.00 0.00 O
+ATOM 1459 CB VAL A 198 0.231 20.096 -15.045 1.00 0.00 C
+ATOM 1460 CG1 VAL A 198 0.927 18.849 -14.506 1.00 0.00 C
+ATOM 1461 CG2 VAL A 198 1.275 21.221 -15.255 1.00 0.00 C
+ATOM 1462 N SER A 199 -2.520 18.551 -15.406 1.00 0.00 N
+ATOM 1463 CA SER A 199 -3.418 17.382 -15.382 1.00 0.00 C
+ATOM 1464 C SER A 199 -4.476 17.536 -16.463 1.00 0.00 C
+ATOM 1465 O SER A 199 -5.465 16.807 -16.552 1.00 0.00 O
+ATOM 1466 CB SER A 199 -4.115 17.106 -14.015 1.00 0.00 C
+ATOM 1467 OG SER A 199 -4.924 18.186 -13.562 1.00 0.00 O
+ATOM 1468 N GLY A 200 -4.236 18.535 -17.333 1.00 2.48 N
+ATOM 1469 CA GLY A 200 -4.952 18.853 -18.541 1.00 2.59 C
+ATOM 1470 C GLY A 200 -5.231 17.684 -19.428 1.00 2.64 C
+ATOM 1471 O GLY A 200 -4.427 16.773 -19.623 1.00 2.63 O
+ATOM 1472 N VAL A 201 -6.426 17.725 -20.008 1.00 2.68 N
+ATOM 1473 CA VAL A 201 -6.971 16.643 -20.768 1.00 2.50 C
+ATOM 1474 C VAL A 201 -7.295 17.135 -22.154 1.00 2.60 C
+ATOM 1475 O VAL A 201 -8.000 18.123 -22.351 1.00 2.72 O
+ATOM 1476 CB VAL A 201 -8.204 16.057 -20.075 1.00 2.32 C
+ATOM 1477 CG1 VAL A 201 -9.223 17.138 -19.661 1.00 0.00 C
+ATOM 1478 CG2 VAL A 201 -8.890 15.022 -20.975 1.00 0.00 C
+ATOM 1479 N THR A 202 -6.812 16.409 -23.174 1.00 2.65 N
+ATOM 1480 CA THR A 202 -7.364 16.523 -24.516 1.00 3.37 C
+ATOM 1481 C THR A 202 -8.461 15.491 -24.615 1.00 3.38 C
+ATOM 1482 O THR A 202 -8.202 14.300 -24.776 1.00 3.40 O
+ATOM 1483 CB THR A 202 -6.357 16.306 -25.632 1.00 3.10 C
+ATOM 1484 OG1 THR A 202 -5.357 17.311 -25.562 1.00 0.00 O
+ATOM 1485 CG2 THR A 202 -7.025 16.454 -27.008 1.00 0.00 C
+ATOM 1486 N TYR A 203 -9.725 15.935 -24.463 1.00 3.65 N
+ATOM 1487 CA TYR A 203 -10.902 15.087 -24.464 1.00 3.77 C
+ATOM 1488 C TYR A 203 -11.561 15.245 -25.825 1.00 4.02 C
+ATOM 1489 O TYR A 203 -12.003 16.339 -26.174 1.00 4.13 O
+ATOM 1490 CB TYR A 203 -11.864 15.502 -23.312 1.00 3.77 C
+ATOM 1491 CG TYR A 203 -12.985 14.518 -23.102 1.00 0.00 C
+ATOM 1492 CD1 TYR A 203 -12.801 13.389 -22.288 1.00 0.00 C
+ATOM 1493 CD2 TYR A 203 -14.242 14.732 -23.690 1.00 0.00 C
+ATOM 1494 CE1 TYR A 203 -13.851 12.486 -22.075 1.00 0.00 C
+ATOM 1495 CE2 TYR A 203 -15.304 13.844 -23.454 1.00 0.00 C
+ATOM 1496 CZ TYR A 203 -15.106 12.719 -22.640 1.00 0.00 C
+ATOM 1497 OH TYR A 203 -16.146 11.797 -22.397 1.00 0.00 O
+ATOM 1498 N ASP A 204 -11.586 14.173 -26.636 1.00 3.88 N
+ATOM 1499 CA ASP A 204 -11.836 14.289 -28.058 1.00 3.80 C
+ATOM 1500 C ASP A 204 -12.692 13.126 -28.558 1.00 3.74 C
+ATOM 1501 O ASP A 204 -12.431 11.956 -28.293 1.00 3.82 O
+ATOM 1502 CB ASP A 204 -10.457 14.355 -28.775 1.00 3.58 C
+ATOM 1503 CG ASP A 204 -10.554 14.544 -30.279 1.00 0.00 C
+ATOM 1504 OD1 ASP A 204 -11.625 15.002 -30.753 1.00 0.00 O
+ATOM 1505 OD2 ASP A 204 -9.552 14.199 -30.959 1.00 0.00 O
+ATOM 1506 N ALA A 205 -13.768 13.424 -29.310 1.00 3.28 N
+ATOM 1507 CA ALA A 205 -14.608 12.443 -29.980 1.00 3.36 C
+ATOM 1508 C ALA A 205 -15.114 11.262 -29.136 1.00 3.44 C
+ATOM 1509 O ALA A 205 -15.215 10.128 -29.600 1.00 3.63 O
+ATOM 1510 CB ALA A 205 -13.880 11.956 -31.249 1.00 3.25 C
+ATOM 1511 N ASN A 206 -15.462 11.505 -27.858 1.00 3.27 N
+ATOM 1512 CA ASN A 206 -15.996 10.492 -26.967 1.00 3.42 C
+ATOM 1513 C ASN A 206 -17.514 10.431 -27.036 1.00 3.30 C
+ATOM 1514 O ASN A 206 -18.184 11.430 -27.290 1.00 3.67 O
+ATOM 1515 CB ASN A 206 -15.619 10.775 -25.496 1.00 3.26 C
+ATOM 1516 CG ASN A 206 -14.115 10.915 -25.331 1.00 3.34 C
+ATOM 1517 OD1 ASN A 206 -13.547 11.990 -25.493 1.00 5.01 O
+ATOM 1518 ND2 ASN A 206 -13.438 9.806 -24.967 1.00 2.00 N
+ATOM 1519 N THR A 207 -18.099 9.249 -26.764 1.00 3.07 N
+ATOM 1520 CA THR A 207 -19.543 9.050 -26.848 1.00 2.77 C
+ATOM 1521 C THR A 207 -20.128 9.056 -25.462 1.00 2.78 C
+ATOM 1522 O THR A 207 -19.850 8.171 -24.653 1.00 3.10 O
+ATOM 1523 CB THR A 207 -19.939 7.739 -27.510 1.00 2.24 C
+ATOM 1524 OG1 THR A 207 -19.503 7.748 -28.859 1.00 0.00 O
+ATOM 1525 CG2 THR A 207 -21.466 7.558 -27.553 1.00 0.00 C
+ATOM 1526 N ILE A 208 -20.961 10.070 -25.150 1.00 2.76 N
+ATOM 1527 CA ILE A 208 -21.470 10.294 -23.808 1.00 2.83 C
+ATOM 1528 C ILE A 208 -22.971 10.065 -23.704 1.00 2.83 C
+ATOM 1529 O ILE A 208 -23.772 10.719 -24.368 1.00 2.30 O
+ATOM 1530 CB ILE A 208 -21.119 11.694 -23.290 1.00 2.99 C
+ATOM 1531 CG1 ILE A 208 -19.586 11.909 -23.200 1.00 0.00 C
+ATOM 1532 CG2 ILE A 208 -21.761 11.899 -21.898 1.00 0.00 C
+ATOM 1533 CD1 ILE A 208 -19.202 13.368 -22.901 1.00 0.00 C
+ATOM 1534 N SER A 209 -23.401 9.153 -22.803 1.00 2.81 N
+ATOM 1535 CA SER A 209 -24.791 9.065 -22.382 1.00 3.26 C
+ATOM 1536 C SER A 209 -24.871 8.567 -20.947 1.00 3.34 C
+ATOM 1537 O SER A 209 -23.903 8.045 -20.400 1.00 3.65 O
+ATOM 1538 CB SER A 209 -25.678 8.190 -23.319 1.00 3.12 C
+ATOM 1539 OG SER A 209 -25.383 6.794 -23.230 1.00 0.00 O
+ATOM 1540 N GLY A 210 -26.037 8.767 -20.276 1.00 3.51 N
+ATOM 1541 CA GLY A 210 -26.325 8.291 -18.916 1.00 3.62 C
+ATOM 1542 C GLY A 210 -25.275 8.530 -17.860 1.00 3.51 C
+ATOM 1543 O GLY A 210 -24.859 7.599 -17.176 1.00 3.83 O
+ATOM 1544 N ILE A 211 -24.816 9.783 -17.710 1.00 3.22 N
+ATOM 1545 CA ILE A 211 -23.678 10.110 -16.874 1.00 2.95 C
+ATOM 1546 C ILE A 211 -23.971 11.317 -16.009 1.00 2.95 C
+ATOM 1547 O ILE A 211 -24.715 12.222 -16.389 1.00 2.70 O
+ATOM 1548 CB ILE A 211 -22.432 10.365 -17.723 1.00 2.83 C
+ATOM 1549 CG1 ILE A 211 -21.134 10.509 -16.908 1.00 0.00 C
+ATOM 1550 CG2 ILE A 211 -22.642 11.576 -18.668 1.00 0.00 C
+ATOM 1551 CD1 ILE A 211 -19.929 10.360 -17.834 1.00 0.00 C
+ATOM 1552 N ALA A 212 -23.382 11.387 -14.800 1.00 0.00 N
+ATOM 1553 CA ALA A 212 -23.427 12.596 -14.009 1.00 0.00 C
+ATOM 1554 C ALA A 212 -22.698 13.782 -14.638 1.00 0.00 C
+ATOM 1555 O ALA A 212 -21.480 13.780 -14.818 1.00 0.00 O
+ATOM 1556 CB ALA A 212 -22.856 12.365 -12.604 1.00 0.00 C
+ATOM 1557 N LYS A 213 -23.467 14.842 -14.967 1.00 0.00 N
+ATOM 1558 CA LYS A 213 -22.976 16.165 -15.329 1.00 0.00 C
+ATOM 1559 C LYS A 213 -22.038 16.199 -16.528 1.00 0.00 C
+ATOM 1560 O LYS A 213 -20.988 16.832 -16.489 1.00 0.00 O
+ATOM 1561 CB LYS A 213 -22.313 16.874 -14.118 1.00 0.00 C
+ATOM 1562 CG LYS A 213 -23.235 17.018 -12.899 1.00 0.00 C
+ATOM 1563 CD LYS A 213 -22.526 17.734 -11.738 1.00 0.00 C
+ATOM 1564 CE LYS A 213 -23.437 17.937 -10.525 1.00 0.00 C
+ATOM 1565 NZ LYS A 213 -22.704 18.628 -9.442 1.00 0.00 N
+ATOM 1566 N TYR A 214 -22.394 15.482 -17.617 1.00 0.00 N
+ATOM 1567 CA TYR A 214 -21.613 15.371 -18.848 1.00 0.00 C
+ATOM 1568 C TYR A 214 -20.334 14.568 -18.699 1.00 0.00 C
+ATOM 1569 O TYR A 214 -19.669 14.250 -19.679 1.00 0.00 O
+ATOM 1570 CB TYR A 214 -21.289 16.730 -19.536 1.00 0.00 C
+ATOM 1571 CG TYR A 214 -22.563 17.455 -19.843 1.00 0.00 C
+ATOM 1572 CD1 TYR A 214 -23.063 18.423 -18.957 1.00 0.00 C
+ATOM 1573 CD2 TYR A 214 -23.294 17.146 -21.001 1.00 0.00 C
+ATOM 1574 CE1 TYR A 214 -24.290 19.048 -19.208 1.00 0.00 C
+ATOM 1575 CE2 TYR A 214 -24.517 17.782 -21.261 1.00 0.00 C
+ATOM 1576 CZ TYR A 214 -25.016 18.727 -20.357 1.00 0.00 C
+ATOM 1577 OH TYR A 214 -26.249 19.360 -20.594 1.00 0.00 O
+ATOM 1578 N GLY A 215 -19.954 14.190 -17.466 1.00 0.00 N
+ATOM 1579 CA GLY A 215 -18.743 13.441 -17.225 1.00 0.00 C
+ATOM 1580 C GLY A 215 -17.488 14.235 -17.276 1.00 0.00 C
+ATOM 1581 O GLY A 215 -16.432 13.631 -17.293 1.00 0.00 O
+ATOM 1582 N VAL A 216 -17.538 15.570 -17.341 1.00 2.00 N
+ATOM 1583 CA VAL A 216 -16.340 16.389 -17.351 1.00 2.00 C
+ATOM 1584 C VAL A 216 -16.493 17.369 -16.216 1.00 2.00 C
+ATOM 1585 O VAL A 216 -17.375 18.226 -16.249 1.00 2.00 O
+ATOM 1586 CB VAL A 216 -16.158 17.151 -18.667 1.00 2.00 C
+ATOM 1587 CG1 VAL A 216 -14.854 17.976 -18.632 1.00 0.00 C
+ATOM 1588 CG2 VAL A 216 -16.135 16.162 -19.853 1.00 0.00 C
+ATOM 1589 N LEU A 217 -15.660 17.261 -15.169 1.00 2.00 N
+ATOM 1590 CA LEU A 217 -15.753 18.174 -14.058 1.00 2.08 C
+ATOM 1591 C LEU A 217 -14.324 18.510 -13.588 1.00 2.52 C
+ATOM 1592 O LEU A 217 -13.602 17.577 -13.134 1.00 2.63 O
+ATOM 1593 CB LEU A 217 -16.637 17.585 -12.926 1.00 2.16 C
+ATOM 1594 CG LEU A 217 -16.640 18.366 -11.595 1.00 0.00 C
+ATOM 1595 CD1 LEU A 217 -17.066 19.831 -11.778 1.00 0.00 C
+ATOM 1596 CD2 LEU A 217 -17.554 17.732 -10.541 1.00 0.00 C
+ATOM 1597 OXT LEU A 217 -13.945 19.718 -13.703 1.00 0.00 O
+TER 1598 LEU A 217
+END
diff --git a/scoring/tests/test_backbone_scorer.cc b/scoring/tests/test_backbone_scorer.cc
index 9bbc45b41b31ddc5d6f1559d42c9bf81d97767d3..45bce29ac7765f92cfa6544f211e51b65543302e 100644
--- a/scoring/tests/test_backbone_scorer.cc
+++ b/scoring/tests/test_backbone_scorer.cc
@@ -10,17 +10,17 @@
#include <ost/conop/heuristic.hh>
#include <ost/mol/builder.hh>
#include <ost/mol/xcs_editor.hh>
+#include <ost/seq/sequence_op.hh>
#include <cstdio>
BOOST_AUTO_TEST_SUITE( scoring );
using namespace promod3::scoring;
-namespace{
-
- ost::mol::EntityHandle LoadTestStructure(){
- String pdb_name = "data/3DEFA.pdb";
+namespace {
+ ost::mol::EntityHandle LoadTestStructure(const String& pdb_name) {
+
ost::io::PDBReader reader(pdb_name, ost::io::IOProfile());
ost::mol::EntityHandle test_ent = ost::mol::CreateEntity();
reader.Import(test_ent);
@@ -30,11 +30,19 @@ namespace{
return test_ent;
}
- promod3::scoring::BackboneScoreEnv GenerateBackboneEnv(){
+ promod3::scoring::BackboneScoreEnv GenerateBackboneEnv(
+ const String& pdb_name = "data/3DEFA.pdb",
+ const String& seqresstr = "MGSLVREWVGFQQFPAATQEKLIEFFGKLKQKDMNSMTVLVLGKGGVGKSSTVNSLIGEQVVRVSPFQAEGLRPVMVSRTMGGFTINIIDTPGLVEAGYVNHQALELIKGFLVNRTIDVLLYVDRLDVYAVDELDKQVVIAITQTFGKEIWCKTLLVLTHAQFSPPDELSYETFSSKRSDSLLKTIRAGSKMRKQEFEDSAIAVVYAENSGRCSKNDKDEKALPNGEAWIPNLVKAITDVATNQRKAIHVDAAALEHHHHHH") {
- ost::mol::EntityHandle test_ent = LoadTestStructure();
+ ost::mol::EntityHandle test_ent = LoadTestStructure(pdb_name);
- ost::seq::SequenceHandle seqres = ost::seq::CreateSequence("A","MGSLVREWVGFQQFPAATQEKLIEFFGKLKQKDMNSMTVLVLGKGGVGKSSTVNSLIGEQVVRVSPFQAEGLRPVMVSRTMGGFTINIIDTPGLVEAGYVNHQALELIKGFLVNRTIDVLLYVDRLDVYAVDELDKQVVIAITQTFGKEIWCKTLLVLTHAQFSPPDELSYETFSSKRSDSLLKTIRAGSKMRKQEFEDSAIAVVYAENSGRCSKNDKDEKALPNGEAWIPNLVKAITDVATNQRKAIHVDAAALEHHHHHH");
+ ost::seq::SequenceHandle seqres;
+ if (seqresstr.empty()) {
+ // get from chain A
+ seqres = ost::seq::SequenceFromChain("A", test_ent.FindChain("A"));
+ } else {
+ seqres = ost::seq::CreateSequence("A", seqresstr);
+ }
ost::seq::SequenceList seqres_list = ost::seq::CreateSequenceList();
seqres_list.AddSequence(seqres);
@@ -44,12 +52,15 @@ namespace{
return env;
}
- promod3::loop::BackboneList GenerateTestBBList(){
+ // incl. res. with numbers = res_from..res_to-1
+ promod3::loop::BackboneList GenerateTestBBList(
+ const String& pdb_name = "data/3DEFA.pdb",
+ uint res_from = 214, uint res_to = 223) {
- ost::mol::EntityHandle test_ent = LoadTestStructure();
+ ost::mol::EntityHandle test_ent = LoadTestStructure(pdb_name);
promod3::loop::BackboneList bb_list;
- for(uint i = 214; i < 223; ++i){
+ for (uint i = res_from; i < res_to; ++i) {
std::stringstream single_res_query;
single_res_query << "rnum=" << i;
ost::mol::ResidueHandle res = test_ent.Select(single_res_query.str()).GetResidueList()[0].GetHandle();
@@ -111,6 +122,17 @@ BOOST_AUTO_TEST_CASE(test_clash_score) {
CheckScorer(bb_list, scorer, 0.0);
}
+BOOST_AUTO_TEST_CASE(test_clash_score2) {
+ // check sthg with actual clashes
+ String pdb_name = "data/clash_test.pdb";
+ BackboneScoreEnv env = GenerateBackboneEnv(pdb_name, "");
+ promod3::loop::BackboneList bb_list = GenerateTestBBList(pdb_name, 35, 40);
+ ClashScorerPtr scorer(new ClashScorer);
+ scorer->AttachEnvironment(env);
+ Real clash_score = scorer->CalculateScore(bb_list, 35, 0);
+ BOOST_CHECK_CLOSE(clash_score, 0.107386872172, Real(1e-3));
+}
+
BOOST_AUTO_TEST_CASE(test_hbond_score) {
BackboneScoreEnv env = GenerateBackboneEnv();
promod3::loop::BackboneList bb_list = GenerateTestBBList();