Commit 41838203 authored by Studer Gabriel's avatar Studer Gabriel
Browse files

Perform basic cleanup of template structures, so MODELLER can deal with them

parent ffae1181
......@@ -417,14 +417,14 @@ ATOM 416 O VAL A 61 17.245 14.755 26.591 0.50 17.64 O
ATOM 417 CB VAL A 61 17.709 11.852 25.670 0.50 21.59 C
ATOM 418 CG1 VAL A 61 16.793 12.681 24.780 0.50 33.11 C
ATOM 419 CG2 VAL A 61 18.565 10.883 24.813 0.50 20.62 C
HETATM 420 N MSE A 62 17.820 13.844 28.560 1.00 19.43 N
HETATM 421 CA MSE A 62 17.309 14.945 29.372 1.00 21.93 C
HETATM 422 C MSE A 62 18.157 14.953 30.644 1.00 19.80 C
HETATM 423 O MSE A 62 18.532 13.896 31.166 1.00 17.85 O
HETATM 424 CB MSE A 62 15.808 14.765 29.686 1.00 24.66 C
HETATM 425 CG MSE A 62 15.117 16.028 30.108 1.00 32.80 C
HETATM 426 SE MSE A 62 13.137 15.827 30.240 0.75 30.79 SE
HETATM 427 CE MSE A 62 12.883 14.768 29.115 1.00 12.03 C
ATOM 420 N MET A 62 17.820 13.844 28.560 1.00 19.43 N
ATOM 421 CA MET A 62 17.309 14.945 29.372 1.00 21.93 C
ATOM 422 C MET A 62 18.157 14.953 30.644 1.00 19.80 C
ATOM 423 O MET A 62 18.532 13.896 31.166 1.00 17.85 O
ATOM 424 CB MET A 62 15.808 14.765 29.686 1.00 24.66 C
ATOM 425 CG MET A 62 15.117 16.028 30.108 1.00 32.80 C
ATOM 426 SD MET A 62 13.137 15.827 30.240 0.75 30.79 S
ATOM 427 CE MET A 62 12.883 14.768 29.115 1.00 12.03 C
ATOM 428 N TYR A 63 18.629 16.125 31.047 1.00 23.20 N
ATOM 429 CA TYR A 63 19.620 16.169 32.113 1.00 20.66 C
ATOM 430 C TYR A 63 19.547 17.496 32.902 1.00 23.75 C
......@@ -470,14 +470,14 @@ ATOM 469 N GLY A 68 17.519 24.642 39.603 1.00 18.95 N
ATOM 470 CA GLY A 68 17.475 25.735 38.641 1.00 21.71 C
ATOM 471 C GLY A 68 17.267 25.248 37.221 1.00 17.33 C
ATOM 472 O GLY A 68 16.482 25.841 36.462 1.00 17.42 O
HETATM 473 N MSE A 69 17.910 24.129 36.875 1.00 18.64 N
HETATM 474 CA MSE A 69 17.725 23.513 35.568 1.00 18.69 C
HETATM 475 C MSE A 69 16.317 22.898 35.393 1.00 17.16 C
HETATM 476 O MSE A 69 15.737 22.998 34.314 1.00 19.40 O
HETATM 477 CB MSE A 69 18.824 22.471 35.287 1.00 17.69 C
HETATM 478 CG MSE A 69 20.212 23.070 35.180 1.00 23.68 C
HETATM 479 SE MSE A 69 21.536 21.864 34.423 0.75 17.59 SE
HETATM 480 CE MSE A 69 20.825 21.592 32.726 1.00 24.66 C
ATOM 473 N MET A 69 17.910 24.129 36.875 1.00 18.64 N
ATOM 474 CA MET A 69 17.725 23.513 35.568 1.00 18.69 C
ATOM 475 C MET A 69 16.317 22.898 35.393 1.00 17.16 C
ATOM 476 O MET A 69 15.737 22.998 34.314 1.00 19.40 O
ATOM 477 CB MET A 69 18.824 22.471 35.287 1.00 17.69 C
ATOM 478 CG MET A 69 20.212 23.070 35.180 1.00 23.68 C
ATOM 479 SD MET A 69 21.536 21.864 34.423 0.75 17.59 S
ATOM 480 CE MET A 69 20.825 21.592 32.726 1.00 24.66 C
ATOM 481 N LEU A 70 15.761 22.297 36.459 1.00 18.20 N
ATOM 482 CA LEU A 70 14.380 21.812 36.437 1.00 17.44 C
ATOM 483 C LEU A 70 13.430 22.980 36.112 1.00 16.77 C
......@@ -1094,20 +1094,4 @@ ATOM 1093 CG LEU A 153 14.906 4.453 18.814 1.00 23.15 C
ATOM 1094 CD1 LEU A 153 16.292 4.619 19.421 1.00 21.35 C
ATOM 1095 CD2 LEU A 153 14.973 3.616 17.537 1.00 21.04 C
TER 1096 LEU A 153
CONECT 420 421
CONECT 421 420 422 424
CONECT 422 421 423
CONECT 423 422
CONECT 424 421 425
CONECT 425 424 426
CONECT 426 425 427
CONECT 427 426
CONECT 473 474
CONECT 474 473 475 477
CONECT 475 474 476
CONECT 476 475
CONECT 477 474 478
CONECT 478 477 479
CONECT 479 478 480
CONECT 480 479
END
This diff is collapsed.
......@@ -60,14 +60,14 @@ ATOM 59 CG GLN A 8 54.417 -23.591 12.190 1.00 34.47 C
ATOM 60 CD GLN A 8 55.145 -24.815 11.766 1.00 46.36 C
ATOM 61 OE1 GLN A 8 54.684 -25.554 10.935 1.00 44.89 O
ATOM 62 NE2 GLN A 8 56.279 -25.048 12.360 1.00 47.59 N
HETATM 63 N MSE A 9 52.753 -20.657 12.796 1.00 34.21 N
HETATM 64 CA MSE A 9 51.680 -20.089 12.051 1.00 29.05 C
HETATM 65 C MSE A 9 52.192 -19.757 10.722 1.00 26.12 C
HETATM 66 O MSE A 9 53.196 -19.109 10.615 1.00 25.52 O
HETATM 67 CB MSE A 9 51.130 -18.842 12.712 1.00 39.99 C
HETATM 68 CG MSE A 9 52.089 -18.159 13.644 1.00 46.07 C
HETATM 69 SE MSE A 9 51.200 -17.185 15.031 1.00 90.62 SE
HETATM 70 CE MSE A 9 52.775 -17.158 16.174 1.00 59.12 C
ATOM 63 N MET A 9 52.753 -20.657 12.796 1.00 34.21 N
ATOM 64 CA MET A 9 51.680 -20.089 12.051 1.00 29.05 C
ATOM 65 C MET A 9 52.192 -19.757 10.722 1.00 26.12 C
ATOM 66 O MET A 9 53.196 -19.109 10.615 1.00 25.52 O
ATOM 67 CB MET A 9 51.130 -18.842 12.712 1.00 39.99 C
ATOM 68 CG MET A 9 52.089 -18.159 13.644 1.00 46.07 C
ATOM 69 SD MET A 9 51.200 -17.185 15.031 1.00 90.62 S
ATOM 70 CE MET A 9 52.775 -17.158 16.174 1.00 59.12 C
ATOM 71 N THR A 10 51.473 -20.166 9.703 1.00 22.88 N
ATOM 72 CA THR A 10 51.866 -19.999 8.358 1.00 19.74 C
ATOM 73 C THR A 10 50.932 -18.968 7.859 1.00 20.24 C
......@@ -647,14 +647,14 @@ ATOM 646 CB ASN A 80 37.967 -10.733 17.845 1.00 21.87 C
ATOM 647 CG ASN A 80 37.962 -9.909 16.625 1.00 28.45 C
ATOM 648 OD1 ASN A 80 38.797 -9.074 16.430 1.00 31.34 O
ATOM 649 ND2 ASN A 80 37.003 -10.119 15.817 1.00 28.03 N
HETATM 650 N MSE A 81 39.602 -8.192 18.386 1.00 27.14 N
HETATM 651 CA MSE A 81 39.772 -6.877 18.928 1.00 38.32 C
HETATM 652 C MSE A 81 39.435 -5.825 17.971 1.00 38.06 C
HETATM 653 O MSE A 81 39.973 -4.744 18.090 1.00 40.15 O
HETATM 654 CB MSE A 81 41.177 -6.744 19.449 1.00 33.15 C
HETATM 655 CG MSE A 81 41.399 -7.888 20.392 1.00 45.80 C
HETATM 656 SE MSE A 81 42.428 -7.247 21.863 1.00186.46 SE
HETATM 657 CE MSE A 81 40.951 -6.799 23.048 1.00 67.19 C
ATOM 650 N MET A 81 39.602 -8.192 18.386 1.00 27.14 N
ATOM 651 CA MET A 81 39.772 -6.877 18.928 1.00 38.32 C
ATOM 652 C MET A 81 39.435 -5.825 17.971 1.00 38.06 C
ATOM 653 O MET A 81 39.973 -4.744 18.090 1.00 40.15 O
ATOM 654 CB MET A 81 41.177 -6.744 19.449 1.00 33.15 C
ATOM 655 CG MET A 81 41.399 -7.888 20.392 1.00 45.80 C
ATOM 656 SD MET A 81 42.428 -7.247 21.863 1.00186.46 S
ATOM 657 CE MET A 81 40.951 -6.799 23.048 1.00 67.19 C
ATOM 658 N SER A 82 38.577 -6.111 17.023 1.00 33.02 N
ATOM 659 CA SER A 82 38.355 -5.242 15.928 1.00 32.50 C
ATOM 660 C SER A 82 36.875 -5.039 15.826 1.00 36.55 C
......@@ -796,14 +796,14 @@ ATOM 795 CG LYS A 99 37.331 -15.460 24.670 1.00 24.95 C
ATOM 796 CD LYS A 99 37.783 -14.921 25.996 1.00 30.33 C
ATOM 797 CE LYS A 99 37.001 -15.650 27.063 1.00 33.79 C
ATOM 798 NZ LYS A 99 37.746 -15.714 28.318 1.00 45.31 N
HETATM 799 N MSE A 100 37.891 -17.392 21.951 1.00 26.89 N
HETATM 800 CA MSE A 100 37.747 -18.816 22.179 1.00 31.86 C
HETATM 801 C MSE A 100 39.049 -19.537 22.308 1.00 30.54 C
HETATM 802 O MSE A 100 40.109 -19.016 22.040 1.00 28.52 O
HETATM 803 CB MSE A 100 36.987 -19.500 21.069 1.00 33.95 C
HETATM 804 CG MSE A 100 37.802 -19.723 19.832 1.00 34.43 C
HETATM 805 SE MSE A 100 36.793 -20.598 18.431 1.00 74.67 SE
HETATM 806 CE MSE A 100 36.317 -19.070 17.442 1.00 70.45 C
ATOM 799 N MET A 100 37.891 -17.392 21.951 1.00 26.89 N
ATOM 800 CA MET A 100 37.747 -18.816 22.179 1.00 31.86 C
ATOM 801 C MET A 100 39.049 -19.537 22.308 1.00 30.54 C
ATOM 802 O MET A 100 40.109 -19.016 22.040 1.00 28.52 O
ATOM 803 CB MET A 100 36.987 -19.500 21.069 1.00 33.95 C
ATOM 804 CG MET A 100 37.802 -19.723 19.832 1.00 34.43 C
ATOM 805 SD MET A 100 36.793 -20.598 18.431 1.00 74.67 S
ATOM 806 CE MET A 100 36.317 -19.070 17.442 1.00 70.45 C
ATOM 807 N ASP A 101 38.934 -20.788 22.697 1.00 32.89 N
ATOM 808 CA ASP A 101 40.085 -21.622 22.878 1.00 33.01 C
ATOM 809 C ASP A 101 40.485 -22.147 21.551 1.00 30.81 C
......@@ -856,14 +856,14 @@ ATOM 855 C CYS A 106 43.454 -23.232 11.732 1.00 24.04 C
ATOM 856 O CYS A 106 44.588 -23.031 11.481 1.00 27.20 O
ATOM 857 CB CYS A 106 42.369 -23.481 13.879 1.00 28.81 C
ATOM 858 SG CYS A 106 43.436 -22.579 14.942 1.00 39.77 S
HETATM 859 N MSE A 107 42.462 -22.648 11.081 1.00 25.17 N
HETATM 860 CA MSE A 107 42.666 -21.572 10.157 1.00 27.44 C
HETATM 861 C MSE A 107 42.172 -20.404 10.904 1.00 27.86 C
HETATM 862 O MSE A 107 41.069 -20.453 11.380 1.00 29.04 O
HETATM 863 CB MSE A 107 41.663 -21.612 9.022 1.00 36.39 C
HETATM 864 CG MSE A 107 42.138 -21.921 7.622 1.00 63.67 C
HETATM 865 SE MSE A 107 43.459 -20.639 7.037 1.00177.80 SE
HETATM 866 CE MSE A 107 44.830 -21.990 6.870 1.00 61.66 C
ATOM 859 N MET A 107 42.462 -22.648 11.081 1.00 25.17 N
ATOM 860 CA MET A 107 42.666 -21.572 10.157 1.00 27.44 C
ATOM 861 C MET A 107 42.172 -20.404 10.904 1.00 27.86 C
ATOM 862 O MET A 107 41.069 -20.453 11.380 1.00 29.04 O
ATOM 863 CB MET A 107 41.663 -21.612 9.022 1.00 36.39 C
ATOM 864 CG MET A 107 42.138 -21.921 7.622 1.00 63.67 C
ATOM 865 SD MET A 107 43.459 -20.639 7.037 1.00177.80 S
ATOM 866 CE MET A 107 44.830 -21.990 6.870 1.00 61.66 C
ATOM 867 N VAL A 108 42.937 -19.344 11.009 1.00 23.08 N
ATOM 868 CA VAL A 108 42.443 -18.107 11.524 1.00 24.12 C
ATOM 869 C VAL A 108 42.496 -17.164 10.370 1.00 24.50 C
......@@ -946,14 +946,14 @@ ATOM 945 CB LEU A 116 47.725 -22.383 8.437 1.00 22.41 C
ATOM 946 CG LEU A 116 47.917 -23.799 8.968 1.00 31.37 C
ATOM 947 CD1 LEU A 116 46.699 -24.333 9.757 1.00 32.25 C
ATOM 948 CD2 LEU A 116 48.298 -24.703 7.824 1.00 30.67 C
HETATM 949 N MSE A 117 47.629 -22.181 11.791 1.00 29.10 N
HETATM 950 CA MSE A 117 48.284 -22.351 13.067 1.00 30.70 C
HETATM 951 C MSE A 117 48.315 -23.753 13.468 1.00 31.09 C
HETATM 952 O MSE A 117 47.428 -24.487 13.133 1.00 34.99 O
HETATM 953 CB MSE A 117 47.471 -21.806 14.193 1.00 32.09 C
HETATM 954 CG MSE A 117 46.843 -20.500 13.790 1.00 38.47 C
HETATM 955 SE MSE A 117 47.330 -19.138 15.043 1.00 72.00 SE
HETATM 956 CE MSE A 117 47.500 -17.655 13.844 1.00 54.90 C
ATOM 949 N MET A 117 47.629 -22.181 11.791 1.00 29.10 N
ATOM 950 CA MET A 117 48.284 -22.351 13.067 1.00 30.70 C
ATOM 951 C MET A 117 48.315 -23.753 13.468 1.00 31.09 C
ATOM 952 O MET A 117 47.428 -24.487 13.133 1.00 34.99 O
ATOM 953 CB MET A 117 47.471 -21.806 14.193 1.00 32.09 C
ATOM 954 CG MET A 117 46.843 -20.500 13.790 1.00 38.47 C
ATOM 955 SD MET A 117 47.330 -19.138 15.043 1.00 72.00 S
ATOM 956 CE MET A 117 47.500 -17.655 13.844 1.00 54.90 C
ATOM 957 N GLU A 118 49.342 -24.138 14.187 1.00 30.11 N
ATOM 958 CA GLU A 118 49.612 -25.495 14.506 1.00 28.68 C
ATOM 959 C GLU A 118 50.482 -25.441 15.716 1.00 28.68 C
......@@ -1143,44 +1143,4 @@ ATOM 1142 C GLN A 141 43.012 -25.912 -1.816 1.00 61.68 C
ATOM 1143 O GLN A 141 43.576 -26.782 -1.142 1.00 52.01 O
ATOM 1144 CB GLN A 141 41.004 -24.610 -2.626 1.00 56.73 C
TER 1145 GLN A 141
CONECT 63 64
CONECT 64 63 65 67
CONECT 65 64 66
CONECT 66 65
CONECT 67 64 68
CONECT 68 67 69
CONECT 69 68 70
CONECT 70 69
CONECT 650 651
CONECT 651 650 652 654
CONECT 652 651 653
CONECT 653 652
CONECT 654 651 655
CONECT 655 654 656
CONECT 656 655 657
CONECT 657 656
CONECT 799 800
CONECT 800 799 801 803
CONECT 801 800 802
CONECT 802 801
CONECT 803 800 804
CONECT 804 803 805
CONECT 805 804 806
CONECT 806 805
CONECT 859 860
CONECT 860 859 861 863
CONECT 861 860 862
CONECT 862 861
CONECT 863 860 864
CONECT 864 863 865
CONECT 865 864 866
CONECT 866 865
CONECT 949 950
CONECT 950 949 951 953
CONECT 951 950 952
CONECT 952 951
CONECT 953 950 954
CONECT 954 953 955
CONECT 955 954 956
CONECT 956 955
END
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......@@ -221,14 +221,14 @@ ATOM 220 CG GLU A 51 44.388 -5.317 36.015 1.00 39.31 C
ATOM 221 CD GLU A 51 43.416 -5.485 37.186 1.00 43.13 C
ATOM 222 OE1 GLU A 51 42.198 -5.442 36.944 1.00 37.66 O
ATOM 223 OE2 GLU A 51 43.884 -5.562 38.372 1.00 46.25 O
HETATM 224 N MSE A 52 42.108 -2.882 32.864 1.00 30.67 N
HETATM 225 CA MSE A 52 41.673 -2.313 31.602 1.00 30.09 C
HETATM 226 C MSE A 52 41.822 -0.809 31.541 1.00 30.00 C
HETATM 227 O MSE A 52 42.161 -0.272 30.493 1.00 29.67 O
HETATM 228 CB MSE A 52 40.232 -2.706 31.309 1.00 30.58 C
HETATM 229 CG MSE A 52 40.173 -4.232 30.957 1.00 34.40 C
HETATM 230 SE MSE A 52 38.286 -4.831 31.160 1.00 43.69 SE
HETATM 231 CE MSE A 52 37.515 -4.076 29.468 1.00 35.00 C
ATOM 224 N MET A 52 42.108 -2.882 32.864 1.00 30.67 N
ATOM 225 CA MET A 52 41.673 -2.313 31.602 1.00 30.09 C
ATOM 226 C MET A 52 41.822 -0.809 31.541 1.00 30.00 C
ATOM 227 O MET A 52 42.161 -0.272 30.493 1.00 29.67 O
ATOM 228 CB MET A 52 40.232 -2.706 31.309 1.00 30.58 C
ATOM 229 CG MET A 52 40.173 -4.232 30.957 1.00 34.40 C
ATOM 230 SD MET A 52 38.286 -4.831 31.160 1.00 43.69 S
ATOM 231 CE MET A 52 37.515 -4.076 29.468 1.00 35.00 C
ATOM 232 N ASP A 53 41.557 -0.113 32.641 1.00 30.59 N
ATOM 233 CA ASP A 53 41.798 1.323 32.664 1.00 29.38 C
ATOM 234 C ASP A 53 43.267 1.600 32.451 1.00 28.59 C
......@@ -529,14 +529,14 @@ ATOM 528 NE ARG A 97 39.950 11.509 42.264 1.00 38.13 N
ATOM 529 CZ ARG A 97 38.651 11.398 42.234 1.00 34.96 C
ATOM 530 NH1 ARG A 97 38.032 10.510 42.953 1.00 34.98 N
ATOM 531 NH2 ARG A 97 37.960 12.156 41.408 1.00 34.92 N
HETATM 532 N MSE A 98 41.898 7.367 38.789 1.00 35.13 N
HETATM 533 CA MSE A 98 41.833 7.002 37.401 1.00 34.93 C
HETATM 534 C MSE A 98 40.405 7.241 36.969 1.00 30.85 C
HETATM 535 O MSE A 98 39.476 6.674 37.541 1.00 30.43 O
HETATM 536 CB MSE A 98 42.248 5.523 37.351 1.00 36.87 C
HETATM 537 CG MSE A 98 41.891 4.921 35.986 1.00 41.76 C
HETATM 538 SE MSE A 98 43.118 5.669 34.556 1.00 50.75 SE
HETATM 539 CE MSE A 98 44.770 4.614 34.887 1.00 42.05 C
ATOM 532 N MET A 98 41.898 7.367 38.789 1.00 35.13 N
ATOM 533 CA MET A 98 41.833 7.002 37.401 1.00 34.93 C
ATOM 534 C MET A 98 40.405 7.241 36.969 1.00 30.85 C
ATOM 535 O MET A 98 39.476 6.674 37.541 1.00 30.43 O
ATOM 536 CB MET A 98 42.248 5.523 37.351 1.00 36.87 C
ATOM 537 CG MET A 98 41.891 4.921 35.986 1.00 41.76 C
ATOM 538 SD MET A 98 43.118 5.669 34.556 1.00 50.75 S
ATOM 539 CE MET A 98 44.770 4.614 34.887 1.00 42.05 C
ATOM 540 N ALA A 99 40.200 8.101 35.998 1.00 27.41 N
ATOM 541 CA ALA A 99 38.877 8.313 35.521 1.00 28.02 C
ATOM 542 C ALA A 99 38.511 7.109 34.671 1.00 28.55 C
......@@ -657,14 +657,14 @@ ATOM 656 O PRO A 117 39.727 9.360 15.620 1.00 24.88 O
ATOM 657 CB PRO A 117 39.056 12.018 14.185 1.00 24.65 C
ATOM 658 CG PRO A 117 40.389 11.786 13.556 1.00 25.38 C
ATOM 659 CD PRO A 117 41.349 12.334 14.586 1.00 26.96 C
HETATM 660 N MSE A 118 37.840 10.052 16.630 1.00 24.16 N
HETATM 661 CA MSE A 118 37.461 8.735 17.127 1.00 25.36 C
HETATM 662 C MSE A 118 36.090 8.369 16.707 1.00 25.17 C
HETATM 663 O MSE A 118 35.123 9.156 16.825 1.00 23.82 O
HETATM 664 CB MSE A 118 37.525 8.739 18.661 1.00 26.68 C
HETATM 665 CG MSE A 118 37.220 7.376 19.234 1.00 35.23 C
HETATM 666 SE MSE A 118 37.124 7.499 21.265 1.00 47.37 SE
HETATM 667 CE MSE A 118 39.078 8.001 21.455 1.00 39.68 C
ATOM 660 N MET A 118 37.840 10.052 16.630 1.00 24.16 N
ATOM 661 CA MET A 118 37.461 8.735 17.127 1.00 25.36 C
ATOM 662 C MET A 118 36.090 8.369 16.707 1.00 25.17 C
ATOM 663 O MET A 118 35.123 9.156 16.825 1.00 23.82 O
ATOM 664 CB MET A 118 37.525 8.739 18.661 1.00 26.68 C
ATOM 665 CG MET A 118 37.220 7.376 19.234 1.00 35.23 C
ATOM 666 SD MET A 118 37.124 7.499 21.265 1.00 47.37 S
ATOM 667 CE MET A 118 39.078 8.001 21.455 1.00 39.68 C
ATOM 668 N VAL A 119 36.005 7.134 16.234 1.00 25.85 N
ATOM 669 CA VAL A 119 34.760 6.473 15.889 1.00 27.83 C
ATOM 670 C VAL A 119 34.483 5.388 16.892 1.00 27.69 C
......@@ -771,14 +771,14 @@ ATOM 770 CA ALA A 134 30.908 6.058 23.654 1.00 27.41 C
ATOM 771 C ALA A 134 30.726 7.516 23.270 1.00 26.29 C
ATOM 772 O ALA A 134 31.135 7.943 22.165 1.00 26.36 O
ATOM 773 CB ALA A 134 29.662 5.254 23.301 1.00 26.43 C
HETATM 774 N MSE A 135 30.190 8.300 24.215 1.00 24.70 N
HETATM 775 CA MSE A 135 29.934 9.722 24.004 1.00 22.66 C
HETATM 776 C MSE A 135 31.199 10.548 23.917 1.00 24.87 C
HETATM 777 O MSE A 135 31.138 11.719 23.511 1.00 25.06 O
HETATM 778 CB MSE A 135 28.979 10.277 25.062 1.00 22.37 C
HETATM 779 CG MSE A 135 27.576 9.866 24.687 1.00 28.18 C
HETATM 780 SE MSE A 135 26.252 10.886 25.760 1.00 40.40 SE
HETATM 781 CE MSE A 135 26.334 9.946 27.530 1.00 31.18 C
ATOM 774 N MET A 135 30.190 8.300 24.215 1.00 24.70 N
ATOM 775 CA MET A 135 29.934 9.722 24.004 1.00 22.66 C
ATOM 776 C MET A 135 31.199 10.548 23.917 1.00 24.87 C
ATOM 777 O MET A 135 31.138 11.719 23.511 1.00 25.06 O
ATOM 778 CB MET A 135 28.979 10.277 25.062 1.00 22.37 C
ATOM 779 CG MET A 135 27.576 9.866 24.687 1.00 28.18 C
ATOM 780 SD MET A 135 26.252 10.886 25.760 1.00 40.40 S
ATOM 781 CE MET A 135 26.334 9.946 27.530 1.00 31.18 C
ATOM 782 N CYS A 136 32.337 9.982 24.299 1.00 23.90 N
ATOM 783 CA CYS A 136 33.622 10.643 24.158 1.00 25.44 C
ATOM 784 C CYS A 136 34.086 10.562 22.723 1.00 25.08 C
......@@ -1005,14 +1005,14 @@ ATOM 1004 CA ALA A 167 24.003 13.434 27.717 1.00 25.21 C
ATOM 1005 C ALA A 167 23.305 14.760 27.545 1.00 24.30 C
ATOM 1006 O ALA A 167 22.644 14.957 26.555 1.00 22.16 O
ATOM 1007 CB ALA A 167 23.196 12.584 28.670 1.00 26.86 C
HETATM 1008 N MSE A 168 23.488 15.687 28.469 1.00 25.95 N
HETATM 1009 CA MSE A 168 22.884 17.007 28.348 1.00 25.85 C
HETATM 1010 C MSE A 168 23.397 17.758 27.126 1.00 26.31 C
HETATM 1011 O MSE A 168 22.744 18.670 26.647 1.00 23.09 O
HETATM 1012 CB MSE A 168 23.140 17.934 29.523 1.00 27.57 C
HETATM 1013 CG MSE A 168 22.573 17.419 30.830 1.00 29.66 C
HETATM 1014 SE MSE A 168 20.587 17.169 30.721 1.00 39.18 SE
HETATM 1015 CE MSE A 168 20.025 18.987 30.213 1.00 33.31 C
ATOM 1008 N MET A 168 23.488 15.687 28.469 1.00 25.95 N
ATOM 1009 CA MET A 168 22.884 17.007 28.348 1.00 25.85 C
ATOM 1010 C MET A 168 23.397 17.758 27.126 1.00 26.31 C
ATOM 1011 O MET A 168 22.744 18.670 26.647 1.00 23.09 O
ATOM 1012 CB MET A 168 23.140 17.934 29.523 1.00 27.57 C
ATOM 1013 CG MET A 168 22.573 17.419 30.830 1.00 29.66 C
ATOM 1014 SD MET A 168 20.587 17.169 30.721 1.00 39.18 S
ATOM 1015 CE MET A 168 20.025 18.987 30.213 1.00 33.31 C
ATOM 1016 N ARG A 169 24.621 17.477 26.687 1.00 25.43 N
ATOM 1017 CA ARG A 169 25.195 18.162 25.572 1.00 23.33 C
ATOM 1018 C ARG A 169 24.982 17.402 24.232 1.00 24.42 C
......@@ -1591,14 +1591,14 @@ ATOM 1590 CB LEU A 244 34.061 34.069 16.705 1.00 25.92 C
ATOM 1591 CG LEU A 244 32.754 33.356 16.252 1.00 27.21 C
ATOM 1592 CD1 LEU A 244 31.748 34.401 15.782 1.00 29.53 C
ATOM 1593 CD2 LEU A 244 32.999 32.380 15.145 1.00 30.40 C
HETATM 1594 N MSE A 245 36.605 34.474 18.704 1.00 27.78 N
HETATM 1595 CA MSE A 245 37.870 35.154 18.942 1.00 28.68 C
HETATM 1596 C MSE A 245 38.919 34.307 19.625 1.00 26.70 C
HETATM 1597 O MSE A 245 39.862 34.799 20.163 1.00 28.38 O
HETATM 1598 CB MSE A 245 37.597 36.562 19.485 1.00 31.78 C
HETATM 1599 CG MSE A 245 36.893 36.885 20.647 1.00 40.73 C
HETATM 1600 SE MSE A 245 36.323 38.857 20.494 1.00 51.78 SE
HETATM 1601 CE MSE A 245 35.268 38.389 22.055 1.00 48.49 C
ATOM 1594 N MET A 245 36.605 34.474 18.704 1.00 27.78 N
ATOM 1595 CA MET A 245 37.870 35.154 18.942 1.00 28.68 C
ATOM 1596 C MET A 245 38.919 34.307 19.625 1.00 26.70 C
ATOM 1597 O MET A 245 39.862 34.799 20.163 1.00 28.38 O
ATOM 1598 CB MET A 245 37.597 36.562 19.485 1.00 31.78 C
ATOM 1599 CG MET A 245 36.893 36.885 20.647 1.00 40.73 C
ATOM 1600 SD MET A 245 36.323 38.857 20.494 1.00 51.78 S
ATOM 1601 CE MET A 245 35.268 38.389 22.055 1.00 48.49 C
ATOM 1602 N THR A 246 38.841 32.998 19.473 1.00 25.27 N
ATOM 1603 CA THR A 246 39.874 32.114 20.049 1.00 25.28 C
ATOM 1604 C THR A 246 40.982 31.777 19.031 1.00 25.58 C
......@@ -1860,52 +1860,4 @@ ATOM 1859 CG LYS A 278 55.038 14.098 8.722 1.00 54.10 C
ATOM 1860 CD LYS A 278 54.873 13.758 10.208 1.00 59.49 C
ATOM 1861 OXT LYS A 278 53.893 18.473 8.205 1.00 40.84 O
TER 1862 LYS A 278
CONECT 224 225
CONECT 225 224 226 228
CONECT 226 225 227
CONECT 227 226
CONECT 228 225 229
CONECT 229 228 230
CONECT 230 229 231
CONECT 231 230
CONECT 532 533
CONECT 533 532 534 536
CONECT 534 533 535
CONECT 535 534
CONECT 536 533 537
CONECT 537 536 538
CONECT 538 537 539
CONECT 539 538
CONECT 660 661
CONECT 661 660 662 664
CONECT 662 661 663
CONECT 663 662
CONECT 664 661 665
CONECT 665 664 666
CONECT 666 665 667
CONECT 667 666
CONECT 774 775
CONECT 775 774 776 778
CONECT 776 775 777
CONECT 777 776
CONECT 778 775 779
CONECT 779 778 780
CONECT 780 779 781
CONECT 781 780
CONECT 1008 1009
CONECT 1009 1008 1010 1012
CONECT 1010 1009 1011
CONECT 1011 1010
CONECT 1012 1009 1013
CONECT 1013 1012 1014
CONECT 1014 1013 1015
CONECT 1015 1014
CONECT 1594 1595
CONECT 1595 1594 1596 1598
CONECT 1596 1595 1597
CONECT 1597 1596
CONECT 1598 1595 1599
CONECT 1599 1598 1600
CONECT 1600 1599 1601
CONECT 1601 1600
END
This diff is collapsed.
This diff is collapsed.
......@@ -132,14 +132,14 @@ ATOM 131 CB LEU A 36 23.887 38.532 160.447 1.00 65.27 C
ATOM 132 CG LEU A 36 23.610 37.251 159.666 1.00 80.85 C
ATOM 133 CD1 LEU A 36 24.705 36.240 159.944 1.00 95.06 C
ATOM 134 CD2 LEU A 36 22.256 36.685 160.001 1.00 59.18 C
HETATM 135 N MSE A 37 23.976 41.825 160.418 1.00 78.78 N
HETATM 136 CA MSE A 37 24.432 43.025 161.106 1.00 87.44 C
HETATM 137 C MSE A 37 23.281 44.003 161.374 1.00 90.25 C
HETATM 138 O MSE A 37 23.238 44.625 162.437 1.00 87.63 O
HETATM 139 CB MSE A 37 25.560 43.707 160.325 1.00 84.50 C
HETATM 140 CG MSE A 37 26.890 42.967 160.396 1.00 79.98 C
HETATM 141 SE MSE A 37 27.923 43.358 158.824 1.00318.23 SE
HETATM 142 CE MSE A 37 27.649 45.284 158.834 1.00 61.79 C
ATOM 135 N MET A 37 23.976 41.825 160.418 1.00 78.78 N
ATOM 136 CA MET A 37 24.432 43.025 161.106 1.00 87.44 C
ATOM 137 C MET A 37 23.281 44.003 161.374 1.00 90.25 C
ATOM 138 O MET A 37 23.238 44.625 162.437 1.00 87.63 O
ATOM 139 CB MET A 37 25.560 43.707 160.325 1.00 84.50 C
ATOM 140 CG MET A 37 26.890 42.967 160.396 1.00 79.98 C
ATOM 141 SD MET A 37 27.923 43.358 158.824 1.00318.23 S
ATOM 142 CE MET A 37 27.649 45.284 158.834 1.00 61.79 C
ATOM 143 N GLN A 38 22.354 44.144 160.424 1.00 91.81 N
ATOM 144 CA GLN A 38 21.138 44.922 160.680 1.00 92.96 C
ATOM 145 C GLN A 38 20.381 44.251 161.817 1.00 81.54 C
......@@ -694,12 +694,4 @@ ATOM 693 CA GLY A 106 -40.792 56.516 210.381 1.00151.11 C
ATOM 694 C GLY A 106 -41.544 55.655 211.380 1.00157.84 C
ATOM 695 O GLY A 106 -41.846 54.497 211.095 1.00159.05 O
TER 696 GLY A 106
CONECT 135 136
CONECT 136 135 137 139
CONECT 137 136 138
CONECT 138 137
CONECT 139 136 140
CONECT 140 139 141
CONECT 141 140 142
CONECT 142 141
END
This diff is collapsed.
This diff is collapsed.
......@@ -778,14 +778,14 @@ ATOM 777 C SER A 114 9.919 17.815 67.237 1.00 11.92 C
ATOM 778 O SER A 114 10.580 17.631 66.214 1.00 9.33 O
ATOM 779 CB SER A 114 7.640 16.840 67.182 1.00 17.12 C
ATOM 780 OG SER A 114 8.077 15.990 68.222 1.00 18.62 O
HETATM 781 N MSE A 115 10.435 17.744 68.452 1.00 12.06 N
HETATM 782 CA MSE A 115 11.826 17.407 68.621 1.00 19.58 C
HETATM 783 C MSE A 115 12.079 15.985 68.127 1.00 14.54 C
HETATM 784 O MSE A 115 13.228 15.560 68.032 1.00 15.76 O
HETATM 785 CB MSE A 115 12.226 17.582 70.083 1.00 19.03 C
HETATM 786 CG MSE A 115 12.217 19.055 70.505 1.00 19.71 C
HETATM 787 SE MSE A 115 12.638 19.322 72.362 1.00 35.00 SE
HETATM 788 CE MSE A 115 10.906 18.790 73.063 1.00 21.96 C
ATOM 781 N MET A 115 10.435 17.744 68.452 1.00 12.06 N
ATOM 782 CA MET A 115 11.826 17.407 68.621 1.00 19.58 C
ATOM 783 C MET A 115 12.079 15.985 68.127 1.00 14.54 C
ATOM 784 O MET A 115 13.228 15.560 68.032 1.00 15.76 O
ATOM 785 CB MET A 115 12.226 17.582 70.083 1.00 19.03 C
ATOM 786 CG MET A 115 12.217 19.055 70.505 1.00 19.71 C
ATOM 787 SD MET A 115 12.638 19.322 72.362 1.00 35.00 S
ATOM 788 CE MET A 115 10.906 18.790 73.063 1.00 21.96 C
ATOM 789 N ASP A 116 11.012 15.245 67.813 1.00 13.84 N
ATOM 790 CA ASP A 116 11.202 13.893 67.285 1.00 11.88 C
ATOM 791 C ASP A 116 11.540 13.935 65.791 1.00 16.56 C
......@@ -2418,12 +2418,4 @@ ATOM 2417 CG LEU A 320 10.567 51.255 70.168 1.00 20.54 C
ATOM 2418 CD1 LEU A 320 10.399 50.375 71.392 1.00 22.90 C
ATOM 2419 CD2 LEU A 320 11.469 50.598 69.146 1.00 19.25 C
TER 2420 LEU A 320
CONECT 781 782
CONECT 782 781 783 785
CONECT 783 782 784
CONECT 784 783
CONECT 785 782 786
CONECT 786 785 787
CONECT 787 786 788
CONECT 788 787
END
......@@ -778,14 +778,14 @@ ATOM 777 C SER A 114 9.919 17.815 67.237 1.00 11.92 C
ATOM 778 O SER A 114 10.580 17.631 66.214 1.00 9.33 O
ATOM 779 CB SER A 114 7.640 16.840 67.182 1.00 17.12 C
ATOM 780 OG SER A 114 8.077 15.990 68.222 1.00 18.62 O
HETATM 781 N MSE A 115 10.435 17.744 68.452 1.00 12.06 N
HETATM 782 CA MSE A 115 11.826 17.407 68.621 1.00 19.58 C
HETATM 783 C MSE A 115 12.079 15.985 68.127 1.00 14.54 C
HETATM 784 O MSE A 115 13.228 15.560 68.032 1.00 15.76 O
HETATM 785 CB MSE A 115 12.226 17.582 70.083 1.00 19.03 C
HETATM 786 CG MSE A 115 12.217 19.055 70.505 1.00 19.71 C
HETATM 787 SE MSE A 115 12.638 19.322 72.362 1.00 35.00 SE
HETATM 788 CE MSE A 115 10.906 18.790 73.063 1.00 21.96 C
ATOM 781 N MET A 115 10.435 17.744 68.452 1.00 12.06 N
ATOM 782 CA MET A 115 11.826 17.407 68.621 1.00 19.58 C
ATOM 783 C MET A 115 12.079 15.985 68.127 1.00 14.54 C
ATOM 784 O MET A 115 13.228 15.560 68.032 1.00 15.76 O
ATOM 785 CB MET A 115 12.226 17.582 70.083 1.00 19.03 C
ATOM 786 CG MET A 115 12.217 19.055 70.505 1.00 19.71 C
ATOM 787 SD MET A 115 12.638 19.322 72.362 1.00 35.00 S
ATOM 788 CE MET A 115 10.906 18.790 73.063 1.00 21.96 C
ATOM 789 N ASP A 116 11.012 15.245 67.813 1.00 13.84 N
ATOM 790 CA ASP A 116 11.202 13.893 67.285 1.00 11.88 C
ATOM 791 C ASP A 116 11.540 13.935 65.791 1.00 16.56 C
......@@ -2418,12 +2418,4 @@ ATOM 2417 CG LEU A 320 10.567 51.255 70.168 1.00 20.54 C
ATOM 2418 CD1 LEU A 320 10.399 50.375 71.392 1.00 22.90 C
ATOM 2419 CD2 LEU A 320 11.469 50.598 69.146 1.00 19.25 C
TER 2420 LEU A 320
CONECT 781 782
CONECT 782 781 783 785
CONECT 783 782 784
CONECT 784 783
CONECT 785 782 786
CONECT 786 785 787
CONECT 787 786 788
CONECT 788 787
END
......@@ -696,14 +696,14 @@ ATOM 695 C SER A 94 11.142 52.587 29.541 1.00 10.92 C
ATOM 696 O SER A 94 10.198 52.907 30.264 1.00 10.06 O
ATOM 697 CB SER A 94 12.551 52.876 27.428 1.00 11.94 C
ATOM 698 OG SER A 94 11.920 51.897 26.624 1.00 15.73 O
ATOM 699 N MSE A 95 11.845 51.476 29.735 1.00 9.39 N
ATOM 700 CA MSE A 95 11.558 50.609 30.896 1.00 13.36 C
ATOM 701 C MSE A 95 11.537 51.368 32.227 1.00 11.05 C
ATOM 702 O MSE A 95 10.707 51.097 33.096 1.00 14.26 O
ATOM 703 CB MSE A 95 12.570 49.491 31.005 1.00 15.13 C
ATOM 704 CG MSE A 95 12.412 48.681 32.269 1.00 19.21 C
ATOM 705 SE MSE A 95 13.698 47.190 32.349 1.00 34.89 SE
ATOM 706 CE MSE A 95 15.313 48.238 32.247 1.00 15.48 C
ATOM 699 N MET A 95 11.845 51.476 29.735 1.00 9.39 N
ATOM 700 CA MET A 95 11.558 50.609 30.896 1.00 13.36 C
ATOM 701 C MET A 95 11.537 51.368 32.227 1.00 11.05 C
ATOM 702 O MET A 95 10.707 51.097 33.096 1.00 14.26 O
ATOM 703 CB MET A 95 12.570 49.491 31.005 1.00 15.13 C
ATOM 704 CG MET A 95 12.412 48.681 32.269 1.00 19.21 C
ATOM 705 SD MET A 95 13.698 47.190 32.349 1.00 34.89 S
ATOM 706 CE MET A 95 15.313 48.238 32.247 1.00 15.48 C
ATOM 707 N GLY A 96 12.477 52.296 32.384 1.00 8.87 N
ATOM 708 CA GLY A 96 12.547 53.162 33.567 1.00 6.41 C
ATOM 709 C GLY A 96 11.281 53.958 33.833 1.00 11.95 C
......@@ -786,14 +786,14 @@ ATOM 785 NE ARG A 106 3.545 47.575 45.535 1.00 35.66 N
ATOM 786 CZ ARG A 106 4.470 46.673 45.203 1.00 33.85 C
ATOM 787 NH1 ARG A 106 4.739 46.404 43.928 1.00 29.16 N
ATOM 788 NH2 ARG A 106 5.135 46.038 46.159 1.00 30.58 N
ATOM 789 N MSE A 107 4.270 53.475 46.362 1.00 12.44 N
ATOM 790 CA MSE A 107 5.001 54.097 47.455 1.00 14.64 C
ATOM 791 C MSE A 107 4.182 54.326 48.747 1.00 14.75 C
ATOM 792 O MSE A 107 4.625 53.896 49.815 1.00 14.91 O
ATOM 793 CB MSE A 107 5.752 55.347 46.986 1.00 11.15 C
ATOM 794 CG MSE A 107 7.183 55.028 46.576 1.00 11.38 C
ATOM 795 SE MSE A 107 7.954 56.393 45.416 1.00 28.06 SE
ATOM 796 CE MSE A 107 8.460 57.707 46.779 1.00 16.03 C
ATOM 789 N MET A 107 4.270 53.475 46.362 1.00 12.44 N
ATOM 790 CA MET A 107 5.001 54.097 47.455 1.00 14.64 C
ATOM 791 C MET A 107 4.182 54.326 48.747 1.00 14.75 C
ATOM 792 O MET A 107 4.625 53.896 49.815 1.00 14.91 O
ATOM 793 CB MET A 107 5.752 55.347 46.986 1.00 11.15 C
ATOM 794 CG MET A 107 7.183 55.028 46.576 1.00 11.38 C
ATOM 795 SD MET A 107 7.954 56.393 45.416 1.00 28.06 S
ATOM 796 CE MET A 107 8.460 57.707 46.779 1.00 16.03 C
ATOM 797 N PRO A 108 2.992 54.932 48.661 1.00 14.03 N
ATOM 798 CA PRO A 108 2.227 55.213 49.887 1.00 15.21 C
ATOM 799 C PRO A 108 1.809 53.965 50.678 1.00 18.63 C
......@@ -1153,14 +1153,14 @@ ATOM 1152 CA ALA A 155 32.332 51.071 25.732 1.00 12.17 C
ATOM 1153 C ALA A 155 32.322 49.617 26.235 1.00 15.38 C
ATOM 1154 O ALA A 155 33.126 48.783 25.811 1.00 11.69 O
ATOM 1155 CB ALA A 155 33.070 51.979 26.722 1.00 12.05 C
ATOM 1156 N MSE A 156 31.411 49.325 27.156 1.00 14.81 N
ATOM 1157 CA MSE A 156 31.256 47.978 27.665 1.00 26.91 C
ATOM 1158 C MSE A 156 30.922 46.978 26.557 1.00 16.38 C
ATOM 1159 O MSE A 156 31.560 45.935 26.454 1.00 13.43 O
ATOM 1160 CB MSE A 156 30.178 47.955 28.740 1.00 21.07 C
ATOM 1161 CG MSE A 156 30.050 46.637 29.428 1.00 37.93 C
ATOM 1162 SE MSE A 156 29.360 46.956 31.201 1.00 62.78 SE
ATOM 1163 CE MSE A 156 27.464 47.080 30.749 1.00 56.28 C
ATOM 1156 N MET A 156 31.411 49.325 27.156 1.00 14.81 N
ATOM 1157 CA MET A 156 31.256 47.978 27.665 1.00 26.91 C
ATOM 1158 C MET A 156 30.922 46.978 26.557 1.00 16.38 C
ATOM 1159 O MET A 156 31.560 45.935 26.454 1.00 13.43 O
ATOM 1160 CB MET A 156 30.178 47.955 28.740 1.00 21.07 C
ATOM 1161 CG MET A 156 30.050 46.637 29.428 1.00 37.93 C
ATOM 1162 SD MET A 156 29.360 46.956 31.201 1.00 62.78 S
ATOM 1163 CE MET A 156 27.464 47.080 30.749 1.00 56.28 C
ATOM 1164 N LEU A 157 29.933 47.319 25.733 1.00 13.93 N
ATOM 1165 CA LEU A 157 29.487 46.467 24.630 1.00 11.63 C
ATOM 1166 C LEU A 157 30.599 46.091 23.655 1.00 12.96 C
......@@ -1219,14 +1219,14 @@ ATOM 1218 CA ALA A 164 28.345 37.975 26.170 1.00 11.39 C
ATOM 1219 C ALA A 164 27.536 37.966 27.465 1.00 16.06 C
ATOM 1220 O ALA A 164 26.534 37.265 27.576 1.00 17.76 O