PFRMAT TS TARGET T0207 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD Rosetta repacked the sidechains on this undertaker-produced model, METHOD discarding the salt bridge undertaker had been requested to put in. METHOD METHOD METHOD REMARK 6 REMARK 6 T0207 model 2 Sun Jun 20 18:48:55 2004 MODEL 2 PARENT 1h75_A 1ego 1egr 2trx_A 1nw2_A REMARK 7 REMARK 7 ALLPARENTS 1h75_A 1ego 1egr 2trx_A 1nw2_A 1thx 1fo5_A REMARK 7 ALLPARENTS 1kte 3grx 1keb_A 1ilo_A 1j08_A 1a8l 1grx 1fb6_A REMARK 7 ALLPARENTS 1qfn_A 1r26_A 1aba 1hyu_A ATOM 1 N MET 1 7.823 117.503 52.138 1.00 0.00 ATOM 2 CA MET 1 7.577 118.599 51.216 1.00 0.00 ATOM 3 CB MET 1 8.854 118.893 50.383 1.00 0.00 ATOM 4 CG MET 1 10.112 119.081 51.214 1.00 0.00 ATOM 5 SD MET 1 10.026 120.544 52.249 1.00 0.00 ATOM 6 CE MET 1 11.709 120.786 52.679 1.00 0.00 ATOM 7 O MET 1 6.028 117.210 50.058 1.00 0.00 ATOM 8 C MET 1 6.314 118.351 50.412 1.00 0.00 ATOM 9 N ALA 2 5.423 119.312 50.403 1.00 0.00 ATOM 10 CA ALA 2 4.176 119.226 49.628 1.00 0.00 ATOM 11 CB ALA 2 2.992 119.440 50.556 1.00 0.00 ATOM 12 O ALA 2 4.878 121.402 48.886 1.00 0.00 ATOM 13 C ALA 2 4.354 120.348 48.550 1.00 0.00 ATOM 14 N LEU 3 4.565 119.876 47.310 1.00 0.00 ATOM 15 CA LEU 3 4.847 120.722 46.177 1.00 0.00 ATOM 16 CB LEU 3 6.109 120.235 45.453 1.00 0.00 ATOM 17 CG LEU 3 7.435 120.670 46.090 1.00 0.00 ATOM 18 CD1 LEU 3 7.287 122.052 46.712 1.00 0.00 ATOM 19 CD2 LEU 3 7.857 119.650 47.136 1.00 0.00 ATOM 20 O LEU 3 3.053 119.743 44.905 1.00 0.00 ATOM 21 C LEU 3 3.638 120.772 45.181 1.00 0.00 ATOM 22 N THR 4 3.251 121.940 44.801 1.00 0.00 ATOM 23 CA THR 4 2.170 122.157 43.822 1.00 0.00 ATOM 24 CB THR 4 1.069 123.079 44.468 1.00 0.00 ATOM 25 CG2 THR 4 0.045 123.528 43.416 1.00 0.00 ATOM 26 OG1 THR 4 0.398 122.437 45.560 1.00 0.00 ATOM 27 O THR 4 3.407 123.506 42.296 1.00 0.00 ATOM 28 C THR 4 2.866 122.421 42.517 1.00 0.00 ATOM 29 N LEU 5 2.701 121.552 41.496 1.00 0.00 ATOM 30 CA LEU 5 3.314 121.754 40.193 1.00 0.00 ATOM 31 CB LEU 5 3.982 120.458 39.715 1.00 0.00 ATOM 32 CG LEU 5 4.684 120.549 38.353 1.00 0.00 ATOM 33 CD1 LEU 5 5.887 121.478 38.448 1.00 0.00 ATOM 34 CD2 LEU 5 5.108 119.159 37.905 1.00 0.00 ATOM 35 O LEU 5 1.241 121.493 39.037 1.00 0.00 ATOM 36 C LEU 5 2.236 122.233 39.211 1.00 0.00 ATOM 37 N TYR 6 2.562 123.176 38.362 1.00 0.00 ATOM 38 CA TYR 6 1.703 123.659 37.287 1.00 0.00 ATOM 39 CB TYR 6 1.345 125.130 37.507 1.00 0.00 ATOM 40 CG TYR 6 0.562 125.387 38.775 1.00 0.00 ATOM 41 CD1 TYR 6 1.209 125.689 39.965 1.00 0.00 ATOM 42 CD2 TYR 6 -0.824 125.329 38.778 1.00 0.00 ATOM 43 CE1 TYR 6 0.499 125.924 41.126 1.00 0.00 ATOM 44 CE2 TYR 6 -1.545 125.564 39.933 1.00 0.00 ATOM 45 CZ TYR 6 -0.880 125.861 41.105 1.00 0.00 ATOM 46 OH TYR 6 -1.594 126.096 42.258 1.00 0.00 ATOM 47 O TYR 6 3.467 124.130 35.728 1.00 0.00 ATOM 48 C TYR 6 2.522 123.402 36.019 1.00 0.00 ATOM 49 N GLN 7 2.061 122.476 35.178 1.00 0.00 ATOM 50 CA GLN 7 2.865 122.044 34.057 1.00 0.00 ATOM 51 CB GLN 7 3.554 120.714 34.373 1.00 0.00 ATOM 52 CG GLN 7 2.601 119.545 34.552 1.00 0.00 ATOM 53 CD GLN 7 3.322 118.259 34.907 1.00 0.00 ATOM 54 OE1 GLN 7 4.553 118.223 34.992 1.00 0.00 ATOM 55 NE2 GLN 7 2.560 117.191 35.114 1.00 0.00 ATOM 56 O GLN 7 0.909 121.912 32.637 1.00 0.00 ATOM 57 C GLN 7 2.141 121.853 32.710 1.00 0.00 ATOM 58 N ARG 8 3.041 121.606 31.664 1.00 0.00 ATOM 59 CA ARG 8 2.532 121.370 30.309 1.00 0.00 ATOM 60 CB ARG 8 2.478 122.649 29.485 1.00 0.00 ATOM 61 CG ARG 8 1.957 122.475 28.067 1.00 0.00 ATOM 62 CD ARG 8 1.860 123.738 27.291 1.00 0.00 ATOM 63 NE ARG 8 0.891 124.690 27.810 1.00 0.00 ATOM 64 CZ ARG 8 0.788 125.972 27.409 1.00 0.00 ATOM 65 NH1 ARG 8 1.614 126.470 26.515 1.00 0.00 ATOM 66 NH2 ARG 8 -0.150 126.725 27.956 1.00 0.00 ATOM 67 O ARG 8 4.549 120.104 30.037 1.00 0.00 ATOM 68 C ARG 8 3.388 120.270 29.672 1.00 0.00 ATOM 69 N ASP 9 2.816 119.489 28.753 1.00 0.00 ATOM 70 CA ASP 9 3.591 118.435 28.096 1.00 0.00 ATOM 71 CB ASP 9 2.660 117.434 27.406 1.00 0.00 ATOM 72 CG ASP 9 1.783 116.633 28.359 1.00 0.00 ATOM 73 OD1 ASP 9 2.298 116.130 29.329 1.00 0.00 ATOM 74 OD2 ASP 9 0.586 116.661 28.197 1.00 0.00 ATOM 75 O ASP 9 4.508 120.326 27.008 1.00 0.00 ATOM 76 C ASP 9 4.541 119.107 27.106 1.00 0.00 ATOM 77 N ASP 10 5.639 118.440 26.773 1.00 0.00 ATOM 78 CA ASP 10 6.603 118.999 25.828 1.00 0.00 ATOM 79 CB ASP 10 5.925 119.312 24.492 1.00 0.00 ATOM 80 CG ASP 10 5.374 118.092 23.765 1.00 0.00 ATOM 81 OD1 ASP 10 6.096 117.133 23.626 1.00 0.00 ATOM 82 OD2 ASP 10 4.197 118.068 23.494 1.00 0.00 ATOM 83 O ASP 10 7.378 121.247 25.640 1.00 0.00 ATOM 84 C ASP 10 7.270 120.262 26.378 1.00 0.00 ATOM 85 N CYS 11 7.250 120.401 27.701 1.00 0.00 ATOM 86 CA CYS 11 7.849 121.554 28.368 1.00 0.00 ATOM 87 CB CYS 11 6.926 121.975 29.508 1.00 0.00 ATOM 88 SG CYS 11 7.632 123.210 30.663 1.00 0.00 ATOM 89 O CYS 11 9.046 120.424 30.133 1.00 0.00 ATOM 90 C CYS 11 9.116 121.042 29.065 1.00 0.00 ATOM 91 N HIS 12 10.275 121.412 28.530 1.00 0.00 ATOM 92 CA HIS 12 11.553 120.955 29.079 1.00 0.00 ATOM 93 CB HIS 12 12.716 121.397 28.185 1.00 0.00 ATOM 94 CG HIS 12 12.789 120.660 26.884 1.00 0.00 ATOM 95 CD2 HIS 12 12.650 121.087 25.607 1.00 0.00 ATOM 96 ND1 HIS 12 13.033 119.304 26.811 1.00 0.00 ATOM 97 CE1 HIS 12 13.041 118.930 25.544 1.00 0.00 ATOM 98 NE2 HIS 12 12.812 119.992 24.794 1.00 0.00 ATOM 99 O HIS 12 12.258 120.664 31.359 1.00 0.00 ATOM 100 C HIS 12 11.819 121.445 30.504 1.00 0.00 ATOM 101 N LEU 13 11.526 122.716 30.769 1.00 0.00 ATOM 102 CA LEU 13 11.748 123.250 32.115 1.00 0.00 ATOM 103 CB LEU 13 11.537 124.757 32.205 1.00 0.00 ATOM 104 CG LEU 13 12.276 125.573 31.124 1.00 0.00 ATOM 105 CD1 LEU 13 12.157 127.054 31.334 1.00 0.00 ATOM 106 CD2 LEU 13 13.742 125.210 31.037 1.00 0.00 ATOM 107 O LEU 13 11.255 122.354 34.284 1.00 0.00 ATOM 108 C LEU 13 10.836 122.598 33.140 1.00 0.00 ATOM 109 N CYS 14 9.668 122.147 32.690 1.00 0.00 ATOM 110 CA CYS 14 8.726 121.475 33.572 1.00 0.00 ATOM 111 CB CYS 14 7.398 121.261 32.875 1.00 0.00 ATOM 112 SG CYS 14 6.538 122.770 32.342 1.00 0.00 ATOM 113 O CYS 14 9.302 119.719 35.125 1.00 0.00 ATOM 114 C CYS 14 9.294 120.109 33.953 1.00 0.00 ATOM 115 N ASP 15 9.781 119.384 32.949 1.00 0.00 ATOM 116 CA ASP 15 10.358 118.062 33.189 1.00 0.00 ATOM 117 CB ASP 15 10.718 117.385 31.864 1.00 0.00 ATOM 118 CG ASP 15 9.519 116.901 31.059 1.00 0.00 ATOM 119 OD1 ASP 15 8.439 116.865 31.601 1.00 0.00 ATOM 120 OD2 ASP 15 9.658 116.720 29.873 1.00 0.00 ATOM 121 O ASP 15 11.860 117.277 34.895 1.00 0.00 ATOM 122 C ASP 15 11.589 118.179 34.085 1.00 0.00 ATOM 123 N GLN 16 12.427 119.187 33.833 1.00 0.00 ATOM 124 CA GLN 16 13.626 119.385 34.646 1.00 0.00 ATOM 125 CB GLN 16 14.428 120.585 34.134 1.00 0.00 ATOM 126 CG GLN 16 15.058 120.374 32.768 1.00 0.00 ATOM 127 CD GLN 16 16.061 119.237 32.761 1.00 0.00 ATOM 128 OE1 GLN 16 16.901 119.126 33.658 1.00 0.00 ATOM 129 NE2 GLN 16 15.982 118.386 31.745 1.00 0.00 ATOM 130 O GLN 16 13.911 119.140 37.038 1.00 0.00 ATOM 131 C GLN 16 13.226 119.590 36.111 1.00 0.00 ATOM 132 N ALA 17 12.162 120.364 36.312 1.00 0.00 ATOM 133 CA ALA 17 11.701 120.632 37.673 1.00 0.00 ATOM 134 CB ALA 17 10.526 121.663 37.599 1.00 0.00 ATOM 135 O ALA 17 11.607 119.221 39.581 1.00 0.00 ATOM 136 C ALA 17 11.289 119.369 38.405 1.00 0.00 ATOM 137 N VAL 18 10.589 118.469 37.715 1.00 0.00 ATOM 138 CA VAL 18 10.166 117.215 38.357 1.00 0.00 ATOM 139 CB VAL 18 9.267 116.386 37.466 1.00 0.00 ATOM 140 CG1 VAL 18 9.009 115.015 38.105 1.00 0.00 ATOM 141 CG2 VAL 18 7.952 117.133 37.210 1.00 0.00 ATOM 142 O VAL 18 11.488 115.986 39.902 1.00 0.00 ATOM 143 C VAL 18 11.368 116.375 38.737 1.00 0.00 ATOM 144 N GLU 19 12.344 116.274 37.849 1.00 0.00 ATOM 145 CA GLU 19 13.523 115.475 38.173 1.00 0.00 ATOM 146 CB GLU 19 14.380 115.253 36.925 1.00 0.00 ATOM 147 CG GLU 19 13.757 114.325 35.892 1.00 0.00 ATOM 148 CD GLU 19 14.599 114.247 34.649 1.00 0.00 ATOM 149 OE1 GLU 19 15.585 114.942 34.578 1.00 0.00 ATOM 150 OE2 GLU 19 14.323 113.412 33.819 1.00 0.00 ATOM 151 O GLU 19 14.890 115.447 40.170 1.00 0.00 ATOM 152 C GLU 19 14.365 116.128 39.271 1.00 0.00 ATOM 153 N ALA 20 14.446 117.457 39.222 1.00 0.00 ATOM 154 CA ALA 20 15.193 118.213 40.227 1.00 0.00 ATOM 155 CB ALA 20 15.233 119.660 39.872 1.00 0.00 ATOM 156 O ALA 20 15.260 117.758 42.593 1.00 0.00 ATOM 157 C ALA 20 14.559 118.035 41.600 1.00 0.00 ATOM 158 N LEU 21 13.232 118.059 41.643 1.00 0.00 ATOM 159 CA LEU 21 12.553 117.884 42.922 1.00 0.00 ATOM 160 CB LEU 21 11.060 118.206 42.779 1.00 0.00 ATOM 161 CG LEU 21 10.238 118.082 44.068 1.00 0.00 ATOM 162 CD1 LEU 21 10.767 119.048 45.119 1.00 0.00 ATOM 163 CD2 LEU 21 8.774 118.362 43.766 1.00 0.00 ATOM 164 O LEU 21 13.029 116.253 44.630 1.00 0.00 ATOM 165 C LEU 21 12.751 116.456 43.446 1.00 0.00 ATOM 166 N ALA 22 12.684 115.476 42.552 1.00 0.00 ATOM 167 CA ALA 22 12.877 114.095 42.958 1.00 0.00 ATOM 168 CB ALA 22 12.538 113.164 41.774 1.00 0.00 ATOM 169 O ALA 22 14.542 113.064 44.350 1.00 0.00 ATOM 170 C ALA 22 14.304 113.880 43.451 1.00 0.00 ATOM 171 N GLN 23 15.254 114.569 42.820 1.00 0.00 ATOM 172 CA GLN 23 16.646 114.428 43.209 1.00 0.00 ATOM 173 CB GLN 23 17.556 115.168 42.224 1.00 0.00 ATOM 174 CG GLN 23 19.040 115.002 42.503 1.00 0.00 ATOM 175 CD GLN 23 19.904 115.666 41.448 1.00 0.00 ATOM 176 OE1 GLN 23 19.396 116.263 40.494 1.00 0.00 ATOM 177 NE2 GLN 23 21.218 115.562 41.610 1.00 0.00 ATOM 178 O GLN 23 17.679 114.375 45.347 1.00 0.00 ATOM 179 C GLN 23 16.889 114.950 44.614 1.00 0.00 ATOM 180 N ALA 24 16.174 115.992 45.016 1.00 0.00 ATOM 181 CA ALA 24 16.311 116.530 46.357 1.00 0.00 ATOM 182 CB ALA 24 15.749 117.930 46.423 1.00 0.00 ATOM 183 O ALA 24 16.058 115.784 48.576 1.00 0.00 ATOM 184 C ALA 24 15.882 115.507 47.401 1.00 0.00 ATOM 185 N ARG 25 14.856 114.727 47.100 1.00 0.00 ATOM 186 CA ARG 25 14.424 113.683 48.014 1.00 0.00 ATOM 187 CB ARG 25 15.532 112.684 48.311 1.00 0.00 ATOM 188 CG ARG 25 16.054 111.930 47.097 1.00 0.00 ATOM 189 CD ARG 25 17.169 110.994 47.391 1.00 0.00 ATOM 190 NE ARG 25 17.772 110.386 46.216 1.00 0.00 ATOM 191 CZ ARG 25 18.813 109.532 46.245 1.00 0.00 ATOM 192 NH1 ARG 25 19.393 109.209 47.379 1.00 0.00 ATOM 193 NH2 ARG 25 19.251 109.042 45.098 1.00 0.00 ATOM 194 O ARG 25 13.121 113.271 49.794 1.00 0.00 ATOM 195 C ARG 25 13.833 114.168 49.330 1.00 0.00 ATOM 196 N ALA 26 13.194 115.337 49.324 1.00 0.00 ATOM 197 CA ALA 26 12.577 115.868 50.528 1.00 0.00 ATOM 198 CB ALA 26 13.093 117.328 50.817 1.00 0.00 ATOM 199 O ALA 26 10.463 116.427 51.469 1.00 0.00 ATOM 200 C ALA 26 11.046 115.737 50.594 1.00 0.00 ATOM 201 N GLY 27 10.415 115.589 49.438 1.00 0.00 ATOM 202 CA GLY 27 8.986 115.492 49.456 1.00 0.00 ATOM 203 O GLY 27 8.713 113.919 47.696 1.00 0.00 ATOM 204 C GLY 27 8.233 114.880 48.298 1.00 0.00 ATOM 205 N ALA 28 6.945 115.199 48.230 1.00 0.00 ATOM 206 CA ALA 28 6.071 114.710 47.172 1.00 0.00 ATOM 207 CB ALA 28 5.007 113.749 47.695 1.00 0.00 ATOM 208 O ALA 28 5.374 116.976 47.223 1.00 0.00 ATOM 209 C ALA 28 5.414 115.938 46.580 1.00 0.00 ATOM 210 N PHE 29 4.769 115.779 45.429 1.00 0.00 ATOM 211 CA PHE 29 4.098 116.903 44.791 1.00 0.00 ATOM 212 CB PHE 29 5.088 117.707 43.946 1.00 0.00 ATOM 213 CG PHE 29 5.532 117.000 42.697 1.00 0.00 ATOM 214 CD1 PHE 29 4.995 117.338 41.464 1.00 0.00 ATOM 215 CD2 PHE 29 6.488 115.998 42.753 1.00 0.00 ATOM 216 CE1 PHE 29 5.404 116.687 40.314 1.00 0.00 ATOM 217 CE2 PHE 29 6.899 115.346 41.606 1.00 0.00 ATOM 218 CZ PHE 29 6.356 115.692 40.385 1.00 0.00 ATOM 219 O PHE 29 3.060 115.355 43.330 1.00 0.00 ATOM 220 C PHE 29 2.947 116.421 43.939 1.00 0.00 ATOM 221 N PHE 30 2.063 117.349 43.595 1.00 0.00 ATOM 222 CA PHE 30 0.930 117.056 42.743 1.00 0.00 ATOM 223 CB PHE 30 -0.377 117.425 43.446 1.00 0.00 ATOM 224 CG PHE 30 -0.662 116.599 44.669 1.00 0.00 ATOM 225 CD1 PHE 30 -0.268 117.036 45.925 1.00 0.00 ATOM 226 CD2 PHE 30 -1.320 115.384 44.566 1.00 0.00 ATOM 227 CE1 PHE 30 -0.528 116.276 47.051 1.00 0.00 ATOM 228 CE2 PHE 30 -1.583 114.623 45.689 1.00 0.00 ATOM 229 CZ PHE 30 -1.185 115.071 46.933 1.00 0.00 ATOM 230 O PHE 30 1.942 118.795 41.438 1.00 0.00 ATOM 231 C PHE 30 1.152 117.843 41.463 1.00 0.00 ATOM 232 N SER 31 0.631 117.327 40.359 1.00 0.00 ATOM 233 CA SER 31 0.785 118.021 39.102 1.00 0.00 ATOM 234 CB SER 31 1.583 117.172 38.130 1.00 0.00 ATOM 235 OG SER 31 0.941 115.960 37.841 1.00 0.00 ATOM 236 O SER 31 -1.139 117.375 38.055 1.00 0.00 ATOM 237 C SER 31 -0.583 118.352 38.560 1.00 0.00 ATOM 238 N VAL 32 -0.681 119.505 37.915 1.00 0.00 ATOM 239 CA VAL 32 -1.934 119.931 37.310 1.00 0.00 ATOM 240 CB VAL 32 -2.676 120.939 38.186 1.00 0.00 ATOM 241 CG1 VAL 32 -3.127 120.311 39.487 1.00 0.00 ATOM 242 CG2 VAL 32 -1.775 122.113 38.497 1.00 0.00 ATOM 243 O VAL 32 -0.493 120.964 35.796 1.00 0.00 ATOM 244 C VAL 32 -1.599 120.435 35.930 1.00 0.00 ATOM 245 N PHE 33 -2.114 119.745 34.917 1.00 0.00 ATOM 246 CA PHE 33 -1.884 120.115 33.527 1.00 0.00 ATOM 247 CB PHE 33 -2.160 118.926 32.605 1.00 0.00 ATOM 248 CG PHE 33 -1.125 117.841 32.688 1.00 0.00 ATOM 249 CD1 PHE 33 -1.311 116.749 33.524 1.00 0.00 ATOM 250 CD2 PHE 33 0.035 117.908 31.932 1.00 0.00 ATOM 251 CE1 PHE 33 -0.360 115.749 33.602 1.00 0.00 ATOM 252 CE2 PHE 33 0.987 116.910 32.008 1.00 0.00 ATOM 253 CZ PHE 33 0.789 115.829 32.844 1.00 0.00 ATOM 254 O PHE 33 -3.993 121.208 33.314 1.00 0.00 ATOM 255 C PHE 33 -2.776 121.310 33.184 1.00 0.00 ATOM 256 N ILE 34 -2.169 122.467 32.905 1.00 0.00 ATOM 257 CA ILE 34 -2.922 123.685 32.618 1.00 0.00 ATOM 258 CB ILE 34 -2.002 124.919 32.566 1.00 0.00 ATOM 259 CG1 ILE 34 -0.889 124.712 31.536 1.00 0.00 ATOM 260 CG2 ILE 34 -1.414 125.201 33.940 1.00 0.00 ATOM 261 CD1 ILE 34 -0.054 125.946 31.283 1.00 0.00 ATOM 262 O ILE 34 -4.935 123.806 31.514 1.00 0.00 ATOM 263 C ILE 34 -3.718 123.675 31.312 1.00 0.00 ATOM 264 N ASP 35 -3.392 122.756 30.415 1.00 0.00 ATOM 265 CA ASP 35 -4.134 122.654 29.158 1.00 0.00 ATOM 266 CB ASP 35 -3.268 122.007 28.075 1.00 0.00 ATOM 267 CG ASP 35 -2.142 122.892 27.559 1.00 0.00 ATOM 268 OD1 ASP 35 -2.170 124.071 27.821 1.00 0.00 ATOM 269 OD2 ASP 35 -1.185 122.362 27.045 1.00 0.00 ATOM 270 O ASP 35 -6.430 122.567 29.439 1.00 0.00 ATOM 271 C ASP 35 -5.424 121.847 29.395 1.00 0.00 ATOM 272 N ASP 36 -5.360 120.870 30.298 1.00 0.00 ATOM 273 CA ASP 36 -6.520 120.038 30.643 1.00 0.00 ATOM 274 CB ASP 36 -6.064 118.673 31.166 1.00 0.00 ATOM 275 CG ASP 36 -5.478 117.755 30.102 1.00 0.00 ATOM 276 OD1 ASP 36 -5.644 118.043 28.941 1.00 0.00 ATOM 277 OD2 ASP 36 -4.741 116.867 30.454 1.00 0.00 ATOM 278 O ASP 36 -8.625 120.751 31.460 1.00 0.00 ATOM 279 C ASP 36 -7.409 120.726 31.679 1.00 0.00 ATOM 280 N ASP 37 -6.845 121.709 32.384 1.00 0.00 ATOM 281 CA ASP 37 -7.578 122.428 33.434 1.00 0.00 ATOM 282 CB ASP 37 -7.057 122.035 34.818 1.00 0.00 ATOM 283 CG ASP 37 -7.251 120.566 35.170 1.00 0.00 ATOM 284 OD1 ASP 37 -8.379 120.146 35.282 1.00 0.00 ATOM 285 OD2 ASP 37 -6.284 119.843 35.169 1.00 0.00 ATOM 286 O ASP 37 -6.562 124.606 33.770 1.00 0.00 ATOM 287 C ASP 37 -7.444 123.948 33.200 1.00 0.00 ATOM 288 N ALA 38 -8.219 124.492 32.250 1.00 0.00 ATOM 289 CA ALA 38 -8.176 125.923 31.929 1.00 0.00 ATOM 290 CB ALA 38 -9.134 126.097 30.670 1.00 0.00 ATOM 291 O ALA 38 -8.033 128.005 33.094 1.00 0.00 ATOM 292 C ALA 38 -8.443 126.843 33.106 1.00 0.00 ATOM 293 N ALA 39 -9.168 126.357 34.104 1.00 0.00 ATOM 294 CA ALA 39 -9.435 127.168 35.287 1.00 0.00 ATOM 295 CB ALA 39 -10.260 126.428 36.291 1.00 0.00 ATOM 296 O ALA 39 -7.838 128.697 36.262 1.00 0.00 ATOM 297 C ALA 39 -8.084 127.530 35.947 1.00 0.00 ATOM 298 N LEU 40 -7.167 126.569 35.989 1.00 0.00 ATOM 299 CA LEU 40 -5.855 126.802 36.592 1.00 0.00 ATOM 300 CB LEU 40 -5.123 125.470 36.797 1.00 0.00 ATOM 301 CG LEU 40 -5.724 124.553 37.870 1.00 0.00 ATOM 302 CD1 LEU 40 -5.026 123.200 37.852 1.00 0.00 ATOM 303 CD2 LEU 40 -5.589 125.211 39.236 1.00 0.00 ATOM 304 O LEU 40 -4.241 128.542 36.211 1.00 0.00 ATOM 305 C LEU 40 -5.038 127.750 35.709 1.00 0.00 ATOM 306 N GLU 41 -5.098 127.540 34.393 1.00 0.00 ATOM 307 CA GLU 41 -4.366 128.401 33.463 1.00 0.00 ATOM 308 CB GLU 41 -4.602 127.953 32.018 1.00 0.00 ATOM 309 CG GLU 41 -3.842 128.761 30.977 1.00 0.00 ATOM 310 CD GLU 41 -4.089 128.236 29.590 1.00 0.00 ATOM 311 OE1 GLU 41 -4.806 127.273 29.459 1.00 0.00 ATOM 312 OE2 GLU 41 -3.654 128.861 28.653 1.00 0.00 ATOM 313 O GLU 41 -4.013 130.770 33.437 1.00 0.00 ATOM 314 C GLU 41 -4.811 129.850 33.677 1.00 0.00 ATOM 315 N SER 42 -6.132 130.060 33.757 1.00 0.00 ATOM 316 CA SER 42 -6.675 131.405 33.942 1.00 0.00 ATOM 317 CB SER 42 -8.189 131.371 33.866 1.00 0.00 ATOM 318 OG SER 42 -8.644 131.022 32.587 1.00 0.00 ATOM 319 O SER 42 -5.699 133.133 35.293 1.00 0.00 ATOM 320 C SER 42 -6.224 131.999 35.263 1.00 0.00 ATOM 321 N ALA 43 -6.261 131.188 36.322 1.00 0.00 ATOM 322 CA ALA 43 -5.850 131.647 37.640 1.00 0.00 ATOM 323 CB ALA 43 -6.175 130.582 38.689 1.00 0.00 ATOM 324 O ALA 43 -3.864 132.828 38.328 1.00 0.00 ATOM 325 C ALA 43 -4.351 131.932 37.634 1.00 0.00 ATOM 326 N TYR 44 -3.636 131.150 36.836 1.00 0.00 ATOM 327 CA TYR 44 -2.183 131.274 36.736 1.00 0.00 ATOM 328 CB TYR 44 -1.501 129.997 37.231 1.00 0.00 ATOM 329 CG TYR 44 -1.734 129.708 38.698 1.00 0.00 ATOM 330 CD1 TYR 44 -2.812 128.936 39.109 1.00 0.00 ATOM 331 CD2 TYR 44 -0.875 130.205 39.666 1.00 0.00 ATOM 332 CE1 TYR 44 -3.029 128.669 40.448 1.00 0.00 ATOM 333 CE2 TYR 44 -1.083 129.944 41.006 1.00 0.00 ATOM 334 CZ TYR 44 -2.161 129.175 41.394 1.00 0.00 ATOM 335 OH TYR 44 -2.371 128.911 42.727 1.00 0.00 ATOM 336 O TYR 44 -1.868 130.515 34.641 1.00 0.00 ATOM 337 C TYR 44 -1.873 131.573 35.266 1.00 0.00 ATOM 338 N GLY 45 -0.807 132.299 35.009 1.00 0.00 ATOM 339 CA GLY 45 -0.505 132.618 33.596 1.00 0.00 ATOM 340 O GLY 45 1.754 132.635 34.135 1.00 0.00 ATOM 341 C GLY 45 0.944 132.217 33.311 1.00 0.00 ATOM 342 N LEU 46 1.257 132.056 32.045 1.00 0.00 ATOM 343 CA LEU 46 2.600 131.687 31.610 1.00 0.00 ATOM 344 CB LEU 46 3.192 132.790 30.723 1.00 0.00 ATOM 345 CG LEU 46 2.833 132.695 29.236 1.00 0.00 ATOM 346 CD1 LEU 46 1.320 132.638 29.067 1.00 0.00 ATOM 347 CD2 LEU 46 3.412 133.891 28.495 1.00 0.00 ATOM 348 O LEU 46 4.141 131.444 33.435 1.00 0.00 ATOM 349 C LEU 46 3.939 131.306 32.232 1.00 0.00 ATOM 350 N ARG 47 4.894 131.014 31.359 1.00 0.00 ATOM 351 CA ARG 47 6.267 130.730 31.747 1.00 0.00 ATOM 352 CB ARG 47 6.961 131.950 32.336 1.00 0.00 ATOM 353 CG ARG 47 7.204 133.084 31.354 1.00 0.00 ATOM 354 CD ARG 47 7.824 134.293 31.955 1.00 0.00 ATOM 355 NE ARG 47 8.065 135.376 31.016 1.00 0.00 ATOM 356 CZ ARG 47 8.577 136.577 31.349 1.00 0.00 ATOM 357 NH1 ARG 47 8.869 136.867 32.598 1.00 0.00 ATOM 358 NH2 ARG 47 8.758 137.468 30.389 1.00 0.00 ATOM 359 O ARG 47 5.654 129.718 33.821 1.00 0.00 ATOM 360 C ARG 47 5.986 129.544 32.646 1.00 0.00 ATOM 361 N VAL 48 6.244 128.350 32.130 1.00 0.00 ATOM 362 CA VAL 48 6.045 127.133 32.902 1.00 0.00 ATOM 363 CB VAL 48 5.101 126.153 32.179 1.00 0.00 ATOM 364 CG1 VAL 48 3.686 126.710 32.139 1.00 0.00 ATOM 365 CG2 VAL 48 5.603 125.872 30.771 1.00 0.00 ATOM 366 O VAL 48 8.377 126.738 32.495 1.00 0.00 ATOM 367 C VAL 48 7.377 126.460 33.163 1.00 0.00 ATOM 368 N PRO 49 7.430 125.630 34.206 1.00 0.00 ATOM 369 CA PRO 49 6.338 125.321 35.126 1.00 0.00 ATOM 370 CB PRO 49 6.810 123.985 35.733 1.00 0.00 ATOM 371 CG PRO 49 8.273 124.239 35.888 1.00 0.00 ATOM 372 CD PRO 49 8.639 124.890 34.555 1.00 0.00 ATOM 373 O PRO 49 6.981 127.346 36.241 1.00 0.00 ATOM 374 C PRO 49 6.159 126.444 36.149 1.00 0.00 ATOM 375 N VAL 50 5.104 126.337 36.939 1.00 0.00 ATOM 376 CA VAL 50 4.932 127.245 38.051 1.00 0.00 ATOM 377 CB VAL 50 3.647 128.081 37.906 1.00 0.00 ATOM 378 CG1 VAL 50 3.467 128.995 39.108 1.00 0.00 ATOM 379 CG2 VAL 50 3.682 128.893 36.621 1.00 0.00 ATOM 380 O VAL 50 4.417 125.192 39.179 1.00 0.00 ATOM 381 C VAL 50 4.913 126.324 39.267 1.00 0.00 ATOM 382 N LEU 51 5.738 126.631 40.258 1.00 0.00 ATOM 383 CA LEU 51 5.770 125.834 41.471 1.00 0.00 ATOM 384 CB LEU 51 7.198 125.348 41.749 1.00 0.00 ATOM 385 CG LEU 51 7.373 124.542 43.041 1.00 0.00 ATOM 386 CD1 LEU 51 6.622 123.221 42.940 1.00 0.00 ATOM 387 CD2 LEU 51 8.855 124.302 43.294 1.00 0.00 ATOM 388 O LEU 51 5.746 127.760 42.877 1.00 0.00 ATOM 389 C LEU 51 5.232 126.663 42.607 1.00 0.00 ATOM 390 N ARG 52 4.279 126.101 43.341 1.00 0.00 ATOM 391 CA ARG 52 3.702 126.788 44.500 1.00 0.00 ATOM 392 CB ARG 52 2.249 127.177 44.271 1.00 0.00 ATOM 393 CG ARG 52 1.595 127.916 45.427 1.00 0.00 ATOM 394 CD ARG 52 0.223 128.409 45.142 1.00 0.00 ATOM 395 NE ARG 52 -0.754 127.363 44.887 1.00 0.00 ATOM 396 CZ ARG 52 -1.452 126.719 45.842 1.00 0.00 ATOM 397 NH1 ARG 52 -1.261 126.984 47.116 1.00 0.00 ATOM 398 NH2 ARG 52 -2.320 125.796 45.465 1.00 0.00 ATOM 399 O ARG 52 3.987 124.647 45.474 1.00 0.00 ATOM 400 C ARG 52 3.928 125.864 45.688 1.00 0.00 ATOM 401 N ASP 53 4.558 126.388 46.730 1.00 0.00 ATOM 402 CA ASP 53 4.852 125.586 47.905 1.00 0.00 ATOM 403 CB ASP 53 6.307 125.781 48.338 1.00 0.00 ATOM 404 CG ASP 53 6.787 124.795 49.394 1.00 0.00 ATOM 405 OD1 ASP 53 5.995 124.000 49.840 1.00 0.00 ATOM 406 OD2 ASP 53 7.970 124.741 49.633 1.00 0.00 ATOM 407 O ASP 53 3.707 127.155 49.290 1.00 0.00 ATOM 408 C ASP 53 3.885 125.974 49.013 1.00 0.00 ATOM 409 N PRO 54 3.070 125.037 49.466 1.00 0.00 ATOM 410 CA PRO 54 2.105 125.259 50.527 1.00 0.00 ATOM 411 CB PRO 54 1.345 123.904 50.587 1.00 0.00 ATOM 412 CG PRO 54 1.473 123.347 49.183 1.00 0.00 ATOM 413 CD PRO 54 2.863 123.747 48.743 1.00 0.00 ATOM 414 O PRO 54 2.132 126.637 52.455 1.00 0.00 ATOM 415 C PRO 54 2.721 125.804 51.786 1.00 0.00 ATOM 416 N MET 55 3.983 125.405 52.100 1.00 0.00 ATOM 417 CA MET 55 4.627 125.987 53.249 1.00 0.00 ATOM 418 CB MET 55 5.951 125.279 53.528 1.00 0.00 ATOM 419 CG MET 55 5.807 123.859 54.056 1.00 0.00 ATOM 420 SD MET 55 7.398 123.055 54.333 1.00 0.00 ATOM 421 CE MET 55 6.871 121.488 55.021 1.00 0.00 ATOM 422 O MET 55 5.055 128.194 53.983 1.00 0.00 ATOM 423 C MET 55 4.838 127.480 53.007 1.00 0.00 ATOM 424 N GLY 56 4.943 127.929 51.735 1.00 0.00 ATOM 425 CA GLY 56 5.043 129.338 51.456 1.00 0.00 ATOM 426 O GLY 56 6.176 131.225 50.539 1.00 0.00 ATOM 427 C GLY 56 5.830 130.053 50.377 1.00 0.00 ATOM 428 N ARG 57 5.977 129.421 49.217 1.00 0.00 ATOM 429 CA ARG 57 6.699 130.034 48.111 1.00 0.00 ATOM 430 CB ARG 57 8.183 129.698 48.138 1.00 0.00 ATOM 431 CG ARG 57 8.970 130.366 49.254 1.00 0.00 ATOM 432 CD ARG 57 9.408 131.752 48.950 1.00 0.00 ATOM 433 NE ARG 57 10.372 131.855 47.866 1.00 0.00 ATOM 434 CZ ARG 57 10.771 133.013 47.304 1.00 0.00 ATOM 435 NH1 ARG 57 10.266 134.163 47.692 1.00 0.00 ATOM 436 NH2 ARG 57 11.667 132.960 46.334 1.00 0.00 ATOM 437 O ARG 57 5.437 128.799 46.502 1.00 0.00 ATOM 438 C ARG 57 6.174 129.752 46.712 1.00 0.00 ATOM 439 N GLU 58 6.670 130.641 45.750 1.00 0.00 ATOM 440 CA GLU 58 6.344 130.448 44.342 1.00 0.00 ATOM 441 CB GLU 58 5.017 131.130 44.001 1.00 0.00 ATOM 442 CG GLU 58 4.554 130.922 42.567 1.00 0.00 ATOM 443 CD GLU 58 3.215 131.563 42.326 1.00 0.00 ATOM 444 OE1 GLU 58 2.661 132.101 43.254 1.00 0.00 ATOM 445 OE2 GLU 58 2.798 131.613 41.193 1.00 0.00 ATOM 446 O GLU 58 7.361 132.194 43.243 1.00 0.00 ATOM 447 C GLU 58 7.462 130.985 43.464 1.00 0.00 ATOM 448 N LEU 59 7.848 130.202 42.456 1.00 0.00 ATOM 449 CA LEU 59 8.879 130.609 41.507 1.00 0.00 ATOM 450 CB LEU 59 10.271 130.308 42.076 1.00 0.00 ATOM 451 CG LEU 59 10.636 131.078 43.350 1.00 0.00 ATOM 452 CD1 LEU 59 11.897 130.492 43.972 1.00 0.00 ATOM 453 CD2 LEU 59 10.834 132.550 43.016 1.00 0.00 ATOM 454 O LEU 59 7.788 129.073 40.022 1.00 0.00 ATOM 455 C LEU 59 8.686 129.911 40.164 1.00 0.00 ATOM 456 N ASP 60 9.400 130.393 39.149 1.00 0.00 ATOM 457 CA ASP 60 9.330 129.835 37.799 1.00 0.00 ATOM 458 CB ASP 60 8.998 131.003 36.807 1.00 0.00 ATOM 459 CG ASP 60 7.632 131.601 37.062 1.00 0.00 ATOM 460 OD1 ASP 60 6.647 130.832 37.136 1.00 0.00 ATOM 461 OD2 ASP 60 7.540 132.841 37.178 1.00 0.00 ATOM 462 O ASP 60 9.288 128.215 36.053 1.00 0.00 ATOM 463 C ASP 60 9.964 128.805 36.886 1.00 0.00 ATOM 464 N TRP 61 11.235 128.514 37.118 1.00 0.00 ATOM 465 CA TRP 61 11.948 127.535 36.285 1.00 0.00 ATOM 466 CB TRP 61 13.026 128.274 35.448 1.00 0.00 ATOM 467 CG TRP 61 13.921 129.253 36.081 1.00 0.00 ATOM 468 CD1 TRP 61 15.255 129.066 36.386 1.00 0.00 ATOM 469 CD2 TRP 61 13.618 130.605 36.469 1.00 0.00 ATOM 470 CE2 TRP 61 14.783 131.169 36.987 1.00 0.00 ATOM 471 CE3 TRP 61 12.462 131.394 36.415 1.00 0.00 ATOM 472 NE1 TRP 61 15.781 130.220 36.929 1.00 0.00 ATOM 473 CZ2 TRP 61 14.821 132.480 37.444 1.00 0.00 ATOM 474 CZ3 TRP 61 12.507 132.701 36.881 1.00 0.00 ATOM 475 CH2 TRP 61 13.679 133.218 37.399 1.00 0.00 ATOM 476 O TRP 61 12.167 126.209 38.259 1.00 0.00 ATOM 477 C TRP 61 12.372 126.297 37.050 1.00 0.00 ATOM 478 N PRO 62 13.157 125.446 36.401 1.00 0.00 ATOM 479 CA PRO 62 13.623 124.225 37.032 1.00 0.00 ATOM 480 CB PRO 62 13.614 123.205 35.849 1.00 0.00 ATOM 481 CG PRO 62 14.217 124.084 34.791 1.00 0.00 ATOM 482 CD PRO 62 13.464 125.375 34.970 1.00 0.00 ATOM 483 O PRO 62 15.919 124.757 37.283 1.00 0.00 ATOM 484 C PRO 62 14.866 124.505 37.866 1.00 0.00 ATOM 485 N PHE 63 14.651 124.923 39.108 1.00 0.00 ATOM 486 CA PHE 63 15.737 125.223 40.030 1.00 0.00 ATOM 487 CB PHE 63 15.190 125.846 41.329 1.00 0.00 ATOM 488 CG PHE 63 14.574 127.202 41.152 1.00 0.00 ATOM 489 CD1 PHE 63 13.263 127.340 40.703 1.00 0.00 ATOM 490 CD2 PHE 63 15.309 128.348 41.442 1.00 0.00 ATOM 491 CE1 PHE 63 12.691 128.606 40.542 1.00 0.00 ATOM 492 CE2 PHE 63 14.747 129.617 41.287 1.00 0.00 ATOM 493 CZ PHE 63 13.437 129.745 40.836 1.00 0.00 ATOM 494 O PHE 63 16.124 122.875 40.287 1.00 0.00 ATOM 495 C PHE 63 16.613 124.003 40.316 1.00 0.00 ATOM 496 N ASP 64 17.946 124.183 40.304 1.00 0.00 ATOM 497 CA ASP 64 18.882 123.087 40.575 1.00 0.00 ATOM 498 CB ASP 64 20.297 123.640 40.747 1.00 0.00 ATOM 499 CG ASP 64 20.947 123.988 39.430 1.00 0.00 ATOM 500 OD1 ASP 64 20.387 123.671 38.357 1.00 0.00 ATOM 501 OD2 ASP 64 22.054 124.536 39.535 1.00 0.00 ATOM 502 O ASP 64 17.749 123.039 42.678 1.00 0.00 ATOM 503 C ASP 64 18.616 122.520 41.972 1.00 0.00 ATOM 504 N ALA 65 19.112 121.313 42.228 1.00 0.00 ATOM 505 CA ALA 65 18.903 120.637 43.506 1.00 0.00 ATOM 506 CB ALA 65 19.836 119.425 43.627 1.00 0.00 ATOM 507 O ALA 65 18.143 121.735 45.487 1.00 0.00 ATOM 508 C ALA 65 19.086 121.523 44.734 1.00 0.00 ATOM 509 N PRO 66 20.267 122.115 44.881 1.00 0.00 ATOM 510 CA PRO 66 20.562 122.962 46.034 1.00 0.00 ATOM 511 CB PRO 66 21.884 123.531 45.828 1.00 0.00 ATOM 512 CG PRO 66 22.645 122.399 45.188 1.00 0.00 ATOM 513 CD PRO 66 21.656 121.916 44.140 1.00 0.00 ATOM 514 O PRO 66 18.820 124.069 47.103 1.00 0.00 ATOM 515 C PRO 66 19.650 124.169 46.202 1.00 0.00 ATOM 516 N ARG 67 19.246 124.777 45.097 1.00 0.00 ATOM 517 CA ARG 67 18.382 125.940 45.188 1.00 0.00 ATOM 518 CB ARG 67 18.548 126.874 43.998 1.00 0.00 ATOM 519 CG ARG 67 19.885 127.597 43.935 1.00 0.00 ATOM 520 CD ARG 67 20.043 128.489 42.758 1.00 0.00 ATOM 521 NE ARG 67 21.311 129.200 42.706 1.00 0.00 ATOM 522 CZ ARG 67 21.735 129.933 41.659 1.00 0.00 ATOM 523 NH1 ARG 67 21.017 130.023 40.561 1.00 0.00 ATOM 524 NH2 ARG 67 22.906 130.538 41.754 1.00 0.00 ATOM 525 O ARG 67 16.201 126.291 46.102 1.00 0.00 ATOM 526 C ARG 67 16.915 125.595 45.377 1.00 0.00 ATOM 527 N LEU 68 16.493 124.467 44.814 1.00 0.00 ATOM 528 CA LEU 68 15.111 124.040 44.957 1.00 0.00 ATOM 529 CB LEU 68 14.836 122.827 44.061 1.00 0.00 ATOM 530 CG LEU 68 13.364 122.408 43.962 1.00 0.00 ATOM 531 CD1 LEU 68 12.537 123.541 43.367 1.00 0.00 ATOM 532 CD2 LEU 68 13.247 121.152 43.112 1.00 0.00 ATOM 533 O LEU 68 13.897 124.085 47.026 1.00 0.00 ATOM 534 C LEU 68 14.928 123.749 46.447 1.00 0.00 ATOM 535 N ARG 69 15.890 123.008 46.994 1.00 0.00 ATOM 536 CA ARG 69 15.854 122.636 48.439 1.00 0.00 ATOM 537 CB ARG 69 16.964 121.664 48.810 1.00 0.00 ATOM 538 CG ARG 69 16.964 121.216 50.263 1.00 0.00 ATOM 539 CD ARG 69 17.993 120.195 50.588 1.00 0.00 ATOM 540 NE ARG 69 18.017 119.789 51.985 1.00 0.00 ATOM 541 CZ ARG 69 18.891 118.909 52.510 1.00 0.00 ATOM 542 NH1 ARG 69 19.787 118.312 51.755 1.00 0.00 ATOM 543 NH2 ARG 69 18.807 118.642 53.801 1.00 0.00 ATOM 544 O ARG 69 15.151 123.974 50.282 1.00 0.00 ATOM 545 C ARG 69 15.875 123.863 49.288 1.00 0.00 ATOM 546 N ALA 70 16.704 124.845 48.947 1.00 0.00 ATOM 547 CA ALA 70 16.774 126.074 49.726 1.00 0.00 ATOM 548 CB ALA 70 17.831 126.992 49.185 1.00 0.00 ATOM 549 O ALA 70 14.971 127.293 50.731 1.00 0.00 ATOM 550 C ALA 70 15.440 126.812 49.700 1.00 0.00 ATOM 551 N TRP 71 14.833 126.922 48.522 1.00 0.00 ATOM 552 CA TRP 71 13.547 127.602 48.410 1.00 0.00 ATOM 553 CB TRP 71 13.150 127.753 46.941 1.00 0.00 ATOM 554 CG TRP 71 14.130 128.553 46.135 1.00 0.00 ATOM 555 CD1 TRP 71 14.778 128.150 45.008 1.00 0.00 ATOM 556 CD2 TRP 71 14.570 129.891 46.398 1.00 0.00 ATOM 557 CE2 TRP 71 15.485 130.233 45.386 1.00 0.00 ATOM 558 CE3 TRP 71 14.277 130.833 47.391 1.00 0.00 ATOM 559 NE1 TRP 71 15.597 129.152 44.548 1.00 0.00 ATOM 560 CZ2 TRP 71 16.111 131.470 45.337 1.00 0.00 ATOM 561 CZ3 TRP 71 14.904 132.073 47.341 1.00 0.00 ATOM 562 CH2 TRP 71 15.793 132.383 46.343 1.00 0.00 ATOM 563 O TRP 71 11.613 127.488 49.816 1.00 0.00 ATOM 564 C TRP 71 12.450 126.864 49.166 1.00 0.00 ATOM 565 N LEU 72 12.481 125.535 49.121 1.00 0.00 ATOM 566 CA LEU 72 11.482 124.755 49.842 1.00 0.00 ATOM 567 CB LEU 72 11.606 123.270 49.477 1.00 0.00 ATOM 568 CG LEU 72 10.652 122.786 48.378 1.00 0.00 ATOM 569 CD1 LEU 72 10.550 123.834 47.277 1.00 0.00 ATOM 570 CD2 LEU 72 11.151 121.462 47.816 1.00 0.00 ATOM 571 O LEU 72 10.664 125.322 51.997 1.00 0.00 ATOM 572 C LEU 72 11.636 124.960 51.342 1.00 0.00 ATOM 573 N ASP 73 12.875 125.081 51.798 1.00 0.00 ATOM 574 CA ASP 73 13.093 125.320 53.245 1.00 0.00 ATOM 575 CB ASP 73 14.564 125.101 53.609 1.00 0.00 ATOM 576 CG ASP 73 14.999 123.641 53.616 1.00 0.00 ATOM 577 OD1 ASP 73 14.146 122.786 53.583 1.00 0.00 ATOM 578 OD2 ASP 73 16.175 123.393 53.495 1.00 0.00 ATOM 579 O ASP 73 12.290 126.909 54.813 1.00 0.00 ATOM 580 C ASP 73 12.657 126.724 53.632 1.00 0.00 ATOM 581 N ALA 74 12.897 127.735 52.807 1.00 0.00 ATOM 582 CA ALA 74 12.481 129.086 53.105 1.00 0.00 ATOM 583 CB ALA 74 13.244 130.107 52.276 1.00 0.00 ATOM 584 O ALA 74 10.541 130.426 53.094 1.00 0.00 ATOM 585 C ALA 74 10.982 129.294 52.940 1.00 0.00 ATOM 586 N ALA 75 10.296 128.367 52.301 1.00 0.00 ATOM 587 CA ALA 75 8.862 128.523 52.061 1.00 0.00 ATOM 588 CB ALA 75 8.292 127.246 51.468 1.00 0.00 ATOM 589 O ALA 75 7.193 129.762 53.267 1.00 0.00 ATOM 590 C ALA 75 7.995 128.828 53.292 1.00 0.00 ATOM 591 N PRO 76 8.198 128.106 54.406 1.00 0.00 ATOM 592 CA PRO 76 7.390 128.357 55.609 1.00 0.00 ATOM 593 CB PRO 76 7.919 127.434 56.647 1.00 0.00 ATOM 594 CG PRO 76 8.454 126.255 55.851 1.00 0.00 ATOM 595 CD PRO 76 9.145 126.971 54.671 1.00 0.00 ATOM 596 O PRO 76 6.571 130.296 56.772 1.00 0.00 ATOM 597 C PRO 76 7.490 129.791 56.121 1.00 0.00 ATOM 598 N HIS 77 8.580 130.478 55.761 1.00 0.00 ATOM 599 CA HIS 77 8.812 131.838 56.184 1.00 0.00 ATOM 600 CB HIS 77 10.313 132.112 56.329 1.00 0.00 ATOM 601 CG HIS 77 10.959 131.344 57.440 1.00 0.00 ATOM 602 CD2 HIS 77 11.810 130.291 57.420 1.00 0.00 ATOM 603 ND1 HIS 77 10.751 131.643 58.771 1.00 0.00 ATOM 604 CE1 HIS 77 11.446 130.805 59.521 1.00 0.00 ATOM 605 NE2 HIS 77 12.096 129.976 58.726 1.00 0.00 ATOM 606 O HIS 77 8.265 134.064 55.530 1.00 0.00 ATOM 607 C HIS 77 8.207 132.874 55.231 1.00 0.00 ATOM 608 N ALA 78 7.889 132.515 54.002 1.00 0.00 ATOM 609 CA ALA 78 7.354 133.460 53.036 1.00 0.00 ATOM 610 CB ALA 78 8.230 133.494 51.791 1.00 0.00 ATOM 611 O ALA 78 5.332 132.247 53.397 1.00 0.00 ATOM 612 C ALA 78 5.918 133.084 52.669 1.00 0.00 TER END