PFRMAT TS TARGET T0514 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and 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 8 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 near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. 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 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD 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. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0514 model 2 Fri Jul 18 13:28:53 2008 MODEL 2 PARENT N/A ATOM 2 N ALA 39 -13.897 -8.439 8.424 1.00 0.00 ATOM 3 CA ALA 39 -13.174 -8.721 7.192 1.00 0.00 ATOM 4 CB ALA 39 -14.148 -9.011 6.060 1.00 0.00 ATOM 5 O ALA 39 -12.807 -6.376 6.943 1.00 0.00 ATOM 6 C ALA 39 -12.332 -7.502 6.838 1.00 0.00 ATOM 7 N MET 40 -11.088 -7.719 6.428 1.00 0.00 ATOM 8 CA MET 40 -10.240 -6.600 6.052 1.00 0.00 ATOM 9 CB MET 40 -9.010 -6.530 6.960 1.00 0.00 ATOM 10 CG MET 40 -9.331 -6.242 8.418 1.00 0.00 ATOM 11 SD MET 40 -10.103 -4.629 8.653 1.00 0.00 ATOM 12 CE MET 40 -8.763 -3.539 8.180 1.00 0.00 ATOM 13 O MET 40 -9.309 -7.840 4.231 1.00 0.00 ATOM 14 C MET 40 -9.783 -6.776 4.611 1.00 0.00 ATOM 15 N SER 41 -9.952 -5.737 3.804 1.00 0.00 ATOM 16 CA SER 41 -9.547 -5.799 2.406 1.00 0.00 ATOM 17 CB SER 41 -10.770 -5.744 1.489 1.00 0.00 ATOM 18 OG SER 41 -11.613 -6.866 1.697 1.00 0.00 ATOM 19 O SER 41 -8.921 -3.494 2.538 1.00 0.00 ATOM 20 C SER 41 -8.642 -4.613 2.113 1.00 0.00 ATOM 21 N VAL 42 -7.549 -4.867 1.402 1.00 0.00 ATOM 22 CA VAL 42 -6.610 -3.804 1.049 1.00 0.00 ATOM 23 CB VAL 42 -5.215 -4.060 1.651 1.00 0.00 ATOM 24 CG1 VAL 42 -4.246 -2.965 1.233 1.00 0.00 ATOM 25 CG2 VAL 42 -5.288 -4.085 3.170 1.00 0.00 ATOM 26 O VAL 42 -6.307 -4.750 -1.129 1.00 0.00 ATOM 27 C VAL 42 -6.476 -3.731 -0.461 1.00 0.00 ATOM 28 N VAL 43 -6.576 -2.522 -0.995 1.00 0.00 ATOM 29 CA VAL 43 -6.429 -2.316 -2.426 1.00 0.00 ATOM 30 CB VAL 43 -7.643 -1.576 -3.017 1.00 0.00 ATOM 31 CG1 VAL 43 -7.449 -1.341 -4.508 1.00 0.00 ATOM 32 CG2 VAL 43 -8.911 -2.394 -2.823 1.00 0.00 ATOM 33 O VAL 43 -5.048 -0.392 -2.065 1.00 0.00 ATOM 34 C VAL 43 -5.169 -1.482 -2.620 1.00 0.00 ATOM 35 N LEU 44 -4.230 -2.007 -3.402 1.00 0.00 ATOM 36 CA LEU 44 -2.970 -1.311 -3.660 1.00 0.00 ATOM 37 CB LEU 44 -1.790 -2.281 -3.551 1.00 0.00 ATOM 38 CG LEU 44 -1.301 -2.595 -2.136 1.00 0.00 ATOM 39 CD1 LEU 44 -2.441 -3.118 -1.276 1.00 0.00 ATOM 40 CD2 LEU 44 -0.207 -3.652 -2.168 1.00 0.00 ATOM 41 O LEU 44 -3.418 -1.395 -6.015 1.00 0.00 ATOM 42 C LEU 44 -3.006 -0.724 -5.067 1.00 0.00 ATOM 43 N ASN 45 -2.585 0.534 -5.197 1.00 0.00 ATOM 44 CA ASN 45 -2.584 1.192 -6.495 1.00 0.00 ATOM 45 CB ASN 45 -3.826 2.073 -6.649 1.00 0.00 ATOM 46 CG ASN 45 -5.115 1.276 -6.589 1.00 0.00 ATOM 47 ND2 ASN 45 -5.791 1.335 -5.449 1.00 0.00 ATOM 48 OD1 ASN 45 -5.497 0.619 -7.557 1.00 0.00 ATOM 49 O ASN 45 -0.960 2.820 -5.843 1.00 0.00 ATOM 50 C ASN 45 -1.388 2.092 -6.735 1.00 0.00 ATOM 51 N ALA 46 -0.867 2.029 -7.957 1.00 0.00 ATOM 52 CA ALA 46 0.218 2.894 -8.408 1.00 0.00 ATOM 53 CB ALA 46 1.514 2.105 -8.520 1.00 0.00 ATOM 54 O ALA 46 -1.344 2.911 -10.225 1.00 0.00 ATOM 55 C ALA 46 -0.297 3.377 -9.770 1.00 0.00 ATOM 56 N ASP 47 0.402 4.296 -10.430 1.00 0.00 ATOM 57 CA ASP 47 -0.108 4.792 -11.709 1.00 0.00 ATOM 58 CB ASP 47 0.915 5.718 -12.370 1.00 0.00 ATOM 59 CG ASP 47 1.020 7.061 -11.674 1.00 0.00 ATOM 60 OD1 ASP 47 0.152 7.361 -10.827 1.00 0.00 ATOM 61 OD2 ASP 47 1.970 7.813 -11.974 1.00 0.00 ATOM 62 O ASP 47 -1.399 3.835 -13.492 1.00 0.00 ATOM 63 C ASP 47 -0.427 3.709 -12.745 1.00 0.00 ATOM 64 N GLY 48 0.374 2.647 -12.782 1.00 0.00 ATOM 65 CA GLY 48 0.154 1.559 -13.738 1.00 0.00 ATOM 66 O GLY 48 -0.115 -0.824 -13.739 1.00 0.00 ATOM 67 C GLY 48 -0.083 0.206 -13.065 1.00 0.00 ATOM 68 N VAL 49 -0.251 0.197 -11.746 1.00 0.00 ATOM 69 CA VAL 49 -0.452 -1.064 -11.049 1.00 0.00 ATOM 70 CB VAL 49 0.755 -1.416 -10.160 1.00 0.00 ATOM 71 CG1 VAL 49 2.007 -1.591 -11.006 1.00 0.00 ATOM 72 CG2 VAL 49 1.012 -0.308 -9.147 1.00 0.00 ATOM 73 O VAL 49 -2.139 -0.105 -9.638 1.00 0.00 ATOM 74 C VAL 49 -1.653 -1.126 -10.122 1.00 0.00 ATOM 75 N VAL 50 -2.124 -2.341 -9.856 1.00 0.00 ATOM 76 CA VAL 50 -3.291 -2.522 -9.000 1.00 0.00 ATOM 77 CB VAL 50 -4.598 -2.225 -9.757 1.00 0.00 ATOM 78 CG1 VAL 50 -4.770 -3.189 -10.921 1.00 0.00 ATOM 79 CG2 VAL 50 -5.795 -2.371 -8.830 1.00 0.00 ATOM 80 O VAL 50 -3.098 -4.906 -9.187 1.00 0.00 ATOM 81 C VAL 50 -3.390 -3.943 -8.474 1.00 0.00 ATOM 82 N SER 51 -3.805 -4.079 -7.220 1.00 0.00 ATOM 83 CA SER 51 -4.005 -5.404 -6.654 1.00 0.00 ATOM 84 CB SER 51 -2.669 -6.006 -6.214 1.00 0.00 ATOM 85 OG SER 51 -2.827 -7.352 -5.800 1.00 0.00 ATOM 86 O SER 51 -4.997 -4.261 -4.812 1.00 0.00 ATOM 87 C SER 51 -4.920 -5.304 -5.451 1.00 0.00 ATOM 88 N GLY 52 -6.152 -7.401 -1.846 1.00 0.00 ATOM 89 CA GLY 52 -5.866 -8.477 -0.910 1.00 0.00 ATOM 90 O GLY 52 -7.490 -7.558 0.608 1.00 0.00 ATOM 91 C GLY 52 -7.026 -8.574 0.076 1.00 0.00 ATOM 92 N ASN 53 -7.490 -9.795 0.312 1.00 0.00 ATOM 93 CA ASN 53 -8.599 -10.029 1.227 1.00 0.00 ATOM 94 CB ASN 53 -9.720 -10.797 0.525 1.00 0.00 ATOM 95 CG ASN 53 -10.304 -10.036 -0.648 1.00 0.00 ATOM 96 ND2 ASN 53 -10.097 -10.557 -1.852 1.00 0.00 ATOM 97 OD1 ASN 53 -10.931 -8.992 -0.472 1.00 0.00 ATOM 98 O ASN 53 -7.540 -11.897 2.297 1.00 0.00 ATOM 99 C ASN 53 -8.152 -10.843 2.438 1.00 0.00 ATOM 100 N LEU 54 -8.466 -10.346 3.631 1.00 0.00 ATOM 101 CA LEU 54 -8.068 -11.041 4.839 1.00 0.00 ATOM 102 CB LEU 54 -6.746 -10.482 5.368 1.00 0.00 ATOM 103 CG LEU 54 -6.715 -8.981 5.664 1.00 0.00 ATOM 104 CD1 LEU 54 -7.352 -8.685 7.013 1.00 0.00 ATOM 105 CD2 LEU 54 -5.283 -8.469 5.691 1.00 0.00 ATOM 106 O LEU 54 -10.245 -10.538 5.684 1.00 0.00 ATOM 107 C LEU 54 -9.096 -10.902 5.937 1.00 0.00 ATOM 108 N THR 55 -8.680 -11.177 7.166 1.00 0.00 ATOM 109 CA THR 55 -9.591 -11.117 8.302 1.00 0.00 ATOM 110 CB THR 55 -9.933 -12.524 8.825 1.00 0.00 ATOM 111 CG2 THR 55 -10.543 -13.371 7.718 1.00 0.00 ATOM 112 OG1 THR 55 -8.742 -13.166 9.296 1.00 0.00 ATOM 113 O THR 55 -7.780 -10.203 9.576 1.00 0.00 ATOM 114 C THR 55 -8.998 -10.341 9.462 1.00 0.00 ATOM 115 N VAL 56 -9.876 -9.834 10.314 1.00 0.00 ATOM 116 CA VAL 56 -9.433 -9.124 11.497 1.00 0.00 ATOM 117 CB VAL 56 -10.409 -7.994 11.876 1.00 0.00 ATOM 118 CG1 VAL 56 -10.512 -6.978 10.749 1.00 0.00 ATOM 119 CG2 VAL 56 -11.796 -8.557 12.144 1.00 0.00 ATOM 120 O VAL 56 -9.572 -11.359 12.304 1.00 0.00 ATOM 121 C VAL 56 -9.378 -10.175 12.587 1.00 0.00 ATOM 122 N PRO 57 -9.113 -9.762 13.819 1.00 0.00 ATOM 123 CA PRO 57 -9.041 -10.694 14.945 1.00 0.00 ATOM 124 CB PRO 57 -7.669 -11.351 14.795 1.00 0.00 ATOM 125 CG PRO 57 -7.355 -11.232 13.341 1.00 0.00 ATOM 126 CD PRO 57 -7.905 -9.905 12.902 1.00 0.00 ATOM 127 O PRO 57 -8.661 -8.770 16.307 1.00 0.00 ATOM 128 C PRO 57 -9.173 -9.873 16.229 1.00 0.00 ATOM 129 N PHE 58 -9.867 -10.402 17.249 1.00 0.00 ATOM 130 CA PHE 58 -10.030 -9.655 18.502 1.00 0.00 ATOM 131 CB PHE 58 -10.847 -10.468 19.508 1.00 0.00 ATOM 132 CG PHE 58 -12.313 -10.529 19.190 1.00 0.00 ATOM 133 CD1 PHE 58 -12.866 -11.661 18.617 1.00 0.00 ATOM 134 CD2 PHE 58 -13.142 -9.454 19.464 1.00 0.00 ATOM 135 CE1 PHE 58 -14.215 -11.718 18.324 1.00 0.00 ATOM 136 CE2 PHE 58 -14.491 -9.511 19.171 1.00 0.00 ATOM 137 CZ PHE 58 -15.028 -10.636 18.603 1.00 0.00 ATOM 138 O PHE 58 -8.727 -8.326 20.015 1.00 0.00 ATOM 139 C PHE 58 -8.740 -9.277 19.233 1.00 0.00 ATOM 140 N GLY 59 -7.660 -10.010 18.972 1.00 0.00 ATOM 141 CA GLY 59 -6.380 -9.741 19.626 1.00 0.00 ATOM 142 O GLY 59 -4.282 -8.620 19.339 1.00 0.00 ATOM 143 C GLY 59 -5.415 -8.802 18.897 1.00 0.00 ATOM 144 N ILE 60 -5.845 -8.219 17.779 1.00 0.00 ATOM 145 CA ILE 60 -4.978 -7.286 17.063 1.00 0.00 ATOM 146 CB ILE 60 -5.520 -6.980 15.654 1.00 0.00 ATOM 147 CG1 ILE 60 -5.594 -8.261 14.821 1.00 0.00 ATOM 148 CG2 ILE 60 -4.613 -5.991 14.938 1.00 0.00 ATOM 149 CD1 ILE 60 -4.251 -8.927 14.604 1.00 0.00 ATOM 150 O ILE 60 -5.962 -5.471 18.295 1.00 0.00 ATOM 151 C ILE 60 -4.926 -5.996 17.888 1.00 0.00 ATOM 152 N LEU 61 -3.720 -5.494 18.151 1.00 0.00 ATOM 153 CA LEU 61 -3.569 -4.274 18.941 1.00 0.00 ATOM 154 CB LEU 61 -2.363 -4.388 19.877 1.00 0.00 ATOM 155 CG LEU 61 -2.413 -5.513 20.913 1.00 0.00 ATOM 156 CD1 LEU 61 -1.120 -5.563 21.714 1.00 0.00 ATOM 157 CD2 LEU 61 -3.564 -5.302 21.883 1.00 0.00 ATOM 158 O LEU 61 -3.556 -1.903 18.567 1.00 0.00 ATOM 159 C LEU 61 -3.356 -3.027 18.092 1.00 0.00 ATOM 160 N VAL 62 -2.961 -3.228 16.839 1.00 0.00 ATOM 161 CA VAL 62 -2.741 -2.122 15.918 1.00 0.00 ATOM 162 CB VAL 62 -4.065 -1.617 15.315 1.00 0.00 ATOM 163 CG1 VAL 62 -3.799 -0.568 14.248 1.00 0.00 ATOM 164 CG2 VAL 62 -4.833 -2.766 14.679 1.00 0.00 ATOM 165 O VAL 62 -2.593 0.188 16.567 1.00 0.00 ATOM 166 C VAL 62 -2.076 -0.931 16.601 1.00 0.00 ATOM 167 N SER 63 -0.922 -1.159 17.214 1.00 0.00 ATOM 168 CA SER 63 -0.254 -0.060 17.900 1.00 0.00 ATOM 169 CB SER 63 -0.315 -0.260 19.417 1.00 0.00 ATOM 170 OG SER 63 0.320 -1.469 19.797 1.00 0.00 ATOM 171 O SER 63 1.898 0.939 18.247 1.00 0.00 ATOM 172 C SER 63 1.220 0.144 17.582 1.00 0.00 ATOM 173 N LYS 64 1.728 -0.542 16.559 1.00 0.00 ATOM 174 CA LYS 64 3.128 -0.349 16.198 1.00 0.00 ATOM 175 CB LYS 64 3.539 -1.333 15.101 1.00 0.00 ATOM 176 CG LYS 64 5.025 -1.324 14.784 1.00 0.00 ATOM 177 CD LYS 64 5.387 -2.425 13.799 1.00 0.00 ATOM 178 CE LYS 64 6.884 -2.471 13.547 1.00 0.00 ATOM 179 NZ LYS 64 7.371 -1.243 12.860 1.00 0.00 ATOM 180 O LYS 64 2.437 1.581 14.932 1.00 0.00 ATOM 181 C LYS 64 3.273 1.089 15.697 1.00 0.00 ATOM 182 N PRO 65 4.351 1.775 16.109 1.00 0.00 ATOM 183 CA PRO 65 4.587 3.162 15.704 1.00 0.00 ATOM 184 CB PRO 65 5.633 3.665 16.701 1.00 0.00 ATOM 185 CG PRO 65 6.412 2.449 17.072 1.00 0.00 ATOM 186 CD PRO 65 5.428 1.313 17.087 1.00 0.00 ATOM 187 O PRO 65 5.172 4.605 13.889 1.00 0.00 ATOM 188 C PRO 65 5.107 3.443 14.293 1.00 0.00 ATOM 189 N VAL 66 5.478 2.417 13.533 1.00 0.00 ATOM 190 CA VAL 66 5.984 2.688 12.191 1.00 0.00 ATOM 191 CB VAL 66 7.518 2.575 12.132 1.00 0.00 ATOM 192 CG1 VAL 66 8.164 3.615 13.037 1.00 0.00 ATOM 193 CG2 VAL 66 7.969 1.196 12.588 1.00 0.00 ATOM 194 O VAL 66 5.401 2.201 9.929 1.00 0.00 ATOM 195 C VAL 66 5.493 1.779 11.080 1.00 0.00 ATOM 196 N ARG 67 5.143 0.546 11.417 1.00 0.00 ATOM 197 CA ARG 67 4.756 -0.389 10.376 1.00 0.00 ATOM 198 CB ARG 67 5.579 -1.674 10.476 1.00 0.00 ATOM 199 CG ARG 67 7.051 -1.497 10.139 1.00 0.00 ATOM 200 CD ARG 67 7.815 -2.802 10.299 1.00 0.00 ATOM 201 NE ARG 67 9.246 -2.631 10.055 1.00 0.00 ATOM 202 CZ ARG 67 9.815 -2.709 8.858 1.00 0.00 ATOM 203 NH1 ARG 67 11.123 -2.540 8.732 1.00 0.00 ATOM 204 NH2 ARG 67 9.072 -2.956 7.786 1.00 0.00 ATOM 205 O ARG 67 2.572 -0.764 11.297 1.00 0.00 ATOM 206 C ARG 67 3.314 -0.875 10.331 1.00 0.00 ATOM 207 N LEU 68 2.946 -1.401 9.167 1.00 0.00 ATOM 208 CA LEU 68 1.628 -1.982 8.909 1.00 0.00 ATOM 209 CB LEU 68 0.765 -1.014 8.097 1.00 0.00 ATOM 210 CG LEU 68 0.392 0.300 8.784 1.00 0.00 ATOM 211 CD1 LEU 68 -0.308 1.236 7.810 1.00 0.00 ATOM 212 CD2 LEU 68 -0.544 0.049 9.956 1.00 0.00 ATOM 213 O LEU 68 2.535 -3.184 7.052 1.00 0.00 ATOM 214 C LEU 68 1.948 -3.257 8.127 1.00 0.00 ATOM 215 N GLN 69 1.579 -4.414 8.672 1.00 0.00 ATOM 216 CA GLN 69 1.857 -5.695 8.029 1.00 0.00 ATOM 217 CB GLN 69 2.815 -6.527 8.885 1.00 0.00 ATOM 218 CG GLN 69 4.200 -5.917 9.036 1.00 0.00 ATOM 219 CD GLN 69 5.110 -6.753 9.913 1.00 0.00 ATOM 220 OE1 GLN 69 4.721 -7.817 10.394 1.00 0.00 ATOM 221 NE2 GLN 69 6.331 -6.274 10.122 1.00 0.00 ATOM 222 O GLN 69 -0.273 -6.593 8.676 1.00 0.00 ATOM 223 C GLN 69 0.600 -6.533 7.813 1.00 0.00 ATOM 224 N VAL 70 0.512 -7.176 6.652 1.00 0.00 ATOM 225 CA VAL 70 -0.616 -8.060 6.352 1.00 0.00 ATOM 226 CB VAL 70 -1.332 -7.642 5.055 1.00 0.00 ATOM 227 CG1 VAL 70 -2.472 -8.600 4.743 1.00 0.00 ATOM 228 CG2 VAL 70 -1.907 -6.241 5.192 1.00 0.00 ATOM 229 O VAL 70 0.932 -9.641 5.445 1.00 0.00 ATOM 230 C VAL 70 -0.023 -9.450 6.205 1.00 0.00 ATOM 231 N ASP 71 -0.595 -10.421 6.916 1.00 0.00 ATOM 232 CA ASP 71 -0.075 -11.793 6.907 1.00 0.00 ATOM 233 CB ASP 71 0.316 -12.227 8.322 1.00 0.00 ATOM 234 CG ASP 71 1.460 -11.408 8.887 1.00 0.00 ATOM 235 OD1 ASP 71 2.486 -11.261 8.191 1.00 0.00 ATOM 236 OD2 ASP 71 1.330 -10.914 10.027 1.00 0.00 ATOM 237 O ASP 71 -2.238 -12.755 6.508 1.00 0.00 ATOM 238 C ASP 71 -1.019 -12.877 6.405 1.00 0.00 ATOM 239 N GLU 72 -0.426 -13.954 5.888 1.00 0.00 ATOM 240 CA GLU 72 -1.188 -15.104 5.406 1.00 0.00 ATOM 241 CB GLU 72 -0.428 -15.820 4.287 1.00 0.00 ATOM 242 CG GLU 72 -0.242 -14.986 3.031 1.00 0.00 ATOM 243 CD GLU 72 0.522 -15.725 1.949 1.00 0.00 ATOM 244 OE1 GLU 72 0.885 -16.900 2.174 1.00 0.00 ATOM 245 OE2 GLU 72 0.758 -15.130 0.876 1.00 0.00 ATOM 246 O GLU 72 -2.336 -16.928 6.467 1.00 0.00 ATOM 247 C GLU 72 -1.430 -16.096 6.538 1.00 0.00 ATOM 248 N GLY 73 -0.602 -16.023 7.575 1.00 0.00 ATOM 249 CA GLY 73 -0.746 -16.905 8.730 1.00 0.00 ATOM 250 O GLY 73 -2.333 -15.247 9.440 1.00 0.00 ATOM 251 C GLY 73 -1.716 -16.275 9.723 1.00 0.00 ATOM 252 N LYS 74 -1.852 -16.891 10.891 1.00 0.00 ATOM 253 CA LYS 74 -2.749 -16.366 11.909 1.00 0.00 ATOM 254 CB LYS 74 -3.646 -17.477 12.456 1.00 0.00 ATOM 255 CG LYS 74 -4.598 -18.070 11.429 1.00 0.00 ATOM 256 CD LYS 74 -5.471 -19.151 12.043 1.00 0.00 ATOM 257 CE LYS 74 -6.381 -19.785 11.002 1.00 0.00 ATOM 258 NZ LYS 74 -7.283 -20.806 11.602 1.00 0.00 ATOM 259 O LYS 74 -2.394 -15.561 14.151 1.00 0.00 ATOM 260 C LYS 74 -1.908 -15.789 13.041 1.00 0.00 ATOM 261 N ALA 75 -0.631 -15.556 12.739 1.00 0.00 ATOM 262 CA ALA 75 0.305 -14.981 13.695 1.00 0.00 ATOM 263 CB ALA 75 1.726 -15.064 13.160 1.00 0.00 ATOM 264 O ALA 75 -0.367 -12.795 12.974 1.00 0.00 ATOM 265 C ALA 75 -0.070 -13.514 13.923 1.00 0.00 ATOM 266 N VAL 76 -0.039 -13.065 15.174 1.00 0.00 ATOM 267 CA VAL 76 -0.394 -11.683 15.474 1.00 0.00 ATOM 268 CB VAL 76 -1.694 -11.599 16.296 1.00 0.00 ATOM 269 CG1 VAL 76 -2.016 -10.151 16.639 1.00 0.00 ATOM 270 CG2 VAL 76 -2.860 -12.177 15.510 1.00 0.00 ATOM 271 O VAL 76 1.231 -11.444 17.230 1.00 0.00 ATOM 272 C VAL 76 0.654 -10.922 16.279 1.00 0.00 ATOM 273 N VAL 85 0.890 -9.675 15.877 1.00 0.00 ATOM 274 CA VAL 85 1.826 -8.786 16.550 1.00 0.00 ATOM 275 CB VAL 85 3.223 -8.843 15.903 1.00 0.00 ATOM 276 CG1 VAL 85 3.815 -10.237 16.038 1.00 0.00 ATOM 277 CG2 VAL 85 3.138 -8.498 14.424 1.00 0.00 ATOM 278 O VAL 85 0.217 -7.202 15.741 1.00 0.00 ATOM 279 C VAL 85 1.234 -7.385 16.416 1.00 0.00 ATOM 280 N PRO 86 1.863 -6.405 17.057 1.00 0.00 ATOM 281 CA PRO 86 1.363 -5.038 17.029 1.00 0.00 ATOM 282 CB PRO 86 2.306 -4.280 17.965 1.00 0.00 ATOM 283 CG PRO 86 3.573 -5.068 17.936 1.00 0.00 ATOM 284 CD PRO 86 3.166 -6.509 17.823 1.00 0.00 ATOM 285 O PRO 86 0.760 -3.335 15.469 1.00 0.00 ATOM 286 C PRO 86 1.368 -4.388 15.651 1.00 0.00 ATOM 287 N ALA 87 2.042 -5.009 14.683 1.00 0.00 ATOM 288 CA ALA 87 2.112 -4.454 13.331 1.00 0.00 ATOM 289 CB ALA 87 3.460 -4.767 12.698 1.00 0.00 ATOM 290 O ALA 87 0.745 -4.468 11.367 1.00 0.00 ATOM 291 C ALA 87 1.037 -5.022 12.426 1.00 0.00 ATOM 292 N GLY 88 0.460 -6.136 12.847 1.00 0.00 ATOM 293 CA GLY 88 -0.538 -6.837 12.057 1.00 0.00 ATOM 294 O GLY 88 -2.631 -5.974 12.863 1.00 0.00 ATOM 295 C GLY 88 -1.910 -6.194 11.895 1.00 0.00 ATOM 296 N CYS 89 -2.257 -5.934 10.636 1.00 0.00 ATOM 297 CA CYS 89 -3.524 -5.328 10.245 1.00 0.00 ATOM 298 CB CYS 89 -3.311 -4.333 9.103 1.00 0.00 ATOM 299 SG CYS 89 -2.112 -3.028 9.462 1.00 0.00 ATOM 300 O CYS 89 -5.742 -6.206 9.893 1.00 0.00 ATOM 301 C CYS 89 -4.524 -6.384 9.771 1.00 0.00 ATOM 302 N ILE 90 -4.000 -7.493 9.257 1.00 0.00 ATOM 303 CA ILE 90 -4.822 -8.541 8.680 1.00 0.00 ATOM 304 CB ILE 90 -5.095 -8.286 7.185 1.00 0.00 ATOM 305 CG1 ILE 90 -5.829 -6.957 6.997 1.00 0.00 ATOM 306 CG2 ILE 90 -5.954 -9.399 6.604 1.00 0.00 ATOM 307 CD1 ILE 90 -5.996 -6.552 5.549 1.00 0.00 ATOM 308 O ILE 90 -2.925 -9.999 8.662 1.00 0.00 ATOM 309 C ILE 90 -4.143 -9.901 8.798 1.00 0.00 ATOM 310 N VAL 91 -4.935 -10.939 9.065 1.00 0.00 ATOM 311 CA VAL 91 -4.415 -12.303 9.143 1.00 0.00 ATOM 312 CB VAL 91 -4.656 -12.920 10.533 1.00 0.00 ATOM 313 CG1 VAL 91 -3.930 -12.121 11.604 1.00 0.00 ATOM 314 CG2 VAL 91 -6.141 -12.927 10.863 1.00 0.00 ATOM 315 O VAL 91 -6.168 -12.756 7.562 1.00 0.00 ATOM 316 C VAL 91 -5.128 -13.154 8.092 1.00 0.00 ATOM 317 N PRO 92 -4.556 -14.319 7.801 1.00 0.00 ATOM 318 CA PRO 92 -5.096 -15.240 6.801 1.00 0.00 ATOM 319 CB PRO 92 -6.386 -15.763 7.437 1.00 0.00 ATOM 320 CG PRO 92 -6.165 -15.614 8.904 1.00 0.00 ATOM 321 CD PRO 92 -5.379 -14.345 9.083 1.00 0.00 ATOM 322 O PRO 92 -6.392 -14.853 4.806 1.00 0.00 ATOM 323 C PRO 92 -5.392 -14.561 5.463 1.00 0.00 ATOM 324 N ILE 93 -4.498 -13.660 5.062 1.00 0.00 ATOM 325 CA ILE 93 -4.627 -12.936 3.803 1.00 0.00 ATOM 326 CB ILE 93 -3.518 -11.879 3.643 1.00 0.00 ATOM 327 CG1 ILE 93 -3.606 -10.840 4.764 1.00 0.00 ATOM 328 CG2 ILE 93 -3.654 -11.161 2.310 1.00 0.00 ATOM 329 CD1 ILE 93 -2.433 -9.886 4.805 1.00 0.00 ATOM 330 O ILE 93 -3.897 -14.964 2.761 1.00 0.00 ATOM 331 C ILE 93 -4.529 -13.914 2.639 1.00 0.00 ATOM 332 N VAL 94 2.835 -12.506 -4.357 1.00 0.00 ATOM 333 CA VAL 94 1.711 -12.626 -5.286 1.00 0.00 ATOM 334 CB VAL 94 0.449 -13.153 -4.579 1.00 0.00 ATOM 335 CG1 VAL 94 0.696 -14.542 -4.011 1.00 0.00 ATOM 336 CG2 VAL 94 0.053 -12.230 -3.436 1.00 0.00 ATOM 337 O VAL 94 0.392 -11.382 -6.840 1.00 0.00 ATOM 338 C VAL 94 1.262 -11.348 -5.972 1.00 0.00 ATOM 339 N PHE 95 1.855 -10.227 -5.588 1.00 0.00 ATOM 340 CA PHE 95 1.442 -8.946 -6.136 1.00 0.00 ATOM 341 CB PHE 95 2.183 -7.801 -5.441 1.00 0.00 ATOM 342 CG PHE 95 1.747 -7.570 -4.023 1.00 0.00 ATOM 343 CD1 PHE 95 0.661 -8.250 -3.497 1.00 0.00 ATOM 344 CD2 PHE 95 2.423 -6.676 -3.213 1.00 0.00 ATOM 345 CE1 PHE 95 0.261 -8.038 -2.192 1.00 0.00 ATOM 346 CE2 PHE 95 2.023 -6.463 -1.906 1.00 0.00 ATOM 347 CZ PHE 95 0.947 -7.140 -1.396 1.00 0.00 ATOM 348 O PHE 95 2.590 -9.285 -8.220 1.00 0.00 ATOM 349 C PHE 95 1.677 -8.720 -7.618 1.00 0.00 ATOM 350 N ASP 96 0.820 -7.878 -8.179 1.00 0.00 ATOM 351 CA ASP 96 0.846 -7.508 -9.590 1.00 0.00 ATOM 352 CB ASP 96 -0.139 -6.368 -9.863 1.00 0.00 ATOM 353 CG ASP 96 -0.276 -6.058 -11.340 1.00 0.00 ATOM 354 OD1 ASP 96 0.454 -6.672 -12.146 1.00 0.00 ATOM 355 OD2 ASP 96 -1.114 -5.201 -11.692 1.00 0.00 ATOM 356 O ASP 96 2.848 -6.207 -9.370 1.00 0.00 ATOM 357 C ASP 96 2.231 -7.039 -10.030 1.00 0.00 ATOM 358 N LYS 97 2.710 -7.577 -11.152 1.00 0.00 ATOM 359 CA LYS 97 4.032 -7.216 -11.665 1.00 0.00 ATOM 360 CB LYS 97 4.363 -8.031 -12.917 1.00 0.00 ATOM 361 CG LYS 97 4.623 -9.505 -12.648 1.00 0.00 ATOM 362 CD LYS 97 4.935 -10.254 -13.932 1.00 0.00 ATOM 363 CE LYS 97 5.192 -11.727 -13.664 1.00 0.00 ATOM 364 NZ LYS 97 5.468 -12.480 -14.918 1.00 0.00 ATOM 365 O LYS 97 5.152 -5.114 -11.890 1.00 0.00 ATOM 366 C LYS 97 4.104 -5.744 -12.033 1.00 0.00 ATOM 367 N ASN 98 2.995 -5.195 -12.517 1.00 0.00 ATOM 368 CA ASN 98 2.956 -3.781 -12.883 1.00 0.00 ATOM 369 CB ASN 98 1.632 -3.444 -13.573 1.00 0.00 ATOM 370 CG ASN 98 1.548 -4.004 -14.979 1.00 0.00 ATOM 371 ND2 ASN 98 0.329 -4.143 -15.487 1.00 0.00 ATOM 372 OD1 ASN 98 2.567 -4.307 -15.598 1.00 0.00 ATOM 373 O ASN 98 3.695 -1.848 -11.656 1.00 0.00 ATOM 374 C ASN 98 3.091 -2.924 -11.630 1.00 0.00 ATOM 375 N TYR 99 2.525 -3.406 -10.529 1.00 0.00 ATOM 376 CA TYR 99 2.609 -2.681 -9.270 1.00 0.00 ATOM 377 CB TYR 99 1.749 -3.360 -8.202 1.00 0.00 ATOM 378 CG TYR 99 1.799 -2.681 -6.852 1.00 0.00 ATOM 379 CD1 TYR 99 1.066 -1.526 -6.608 1.00 0.00 ATOM 380 CD2 TYR 99 2.581 -3.196 -5.825 1.00 0.00 ATOM 381 CE1 TYR 99 1.106 -0.898 -5.378 1.00 0.00 ATOM 382 CE2 TYR 99 2.632 -2.582 -4.589 1.00 0.00 ATOM 383 CZ TYR 99 1.886 -1.425 -4.371 1.00 0.00 ATOM 384 OH TYR 99 1.928 -0.802 -3.145 1.00 0.00 ATOM 385 O TYR 99 4.633 -1.606 -8.533 1.00 0.00 ATOM 386 C TYR 99 4.068 -2.667 -8.814 1.00 0.00 ATOM 387 N VAL 100 4.691 -3.843 -8.753 1.00 0.00 ATOM 388 CA VAL 100 6.079 -3.945 -8.319 1.00 0.00 ATOM 389 CB VAL 100 6.581 -5.400 -8.370 1.00 0.00 ATOM 390 CG1 VAL 100 8.077 -5.456 -8.107 1.00 0.00 ATOM 391 CG2 VAL 100 5.875 -6.244 -7.320 1.00 0.00 ATOM 392 O VAL 100 7.940 -2.497 -8.712 1.00 0.00 ATOM 393 C VAL 100 6.989 -3.108 -9.210 1.00 0.00 ATOM 394 N ALA 101 6.726 -3.073 -10.512 1.00 0.00 ATOM 395 CA ALA 101 7.560 -2.287 -11.420 1.00 0.00 ATOM 396 CB ALA 101 7.061 -2.423 -12.850 1.00 0.00 ATOM 397 O ALA 101 8.570 -0.163 -10.963 1.00 0.00 ATOM 398 C ALA 101 7.527 -0.809 -11.033 1.00 0.00 ATOM 399 N ALA 102 6.335 -0.278 -10.764 1.00 0.00 ATOM 400 CA ALA 102 6.226 1.126 -10.367 1.00 0.00 ATOM 401 CB ALA 102 4.763 1.528 -10.238 1.00 0.00 ATOM 402 O ALA 102 7.556 2.405 -8.837 1.00 0.00 ATOM 403 C ALA 102 6.904 1.384 -9.024 1.00 0.00 ATOM 404 N LEU 103 6.742 0.459 -8.085 1.00 0.00 ATOM 405 CA LEU 103 7.340 0.626 -6.768 1.00 0.00 ATOM 406 CB LEU 103 6.926 -0.520 -5.843 1.00 0.00 ATOM 407 CG LEU 103 7.471 -0.467 -4.414 1.00 0.00 ATOM 408 CD1 LEU 103 6.988 0.786 -3.700 1.00 0.00 ATOM 409 CD2 LEU 103 7.008 -1.676 -3.617 1.00 0.00 ATOM 410 O LEU 103 9.511 1.407 -6.148 1.00 0.00 ATOM 411 C LEU 103 8.857 0.638 -6.847 1.00 0.00 ATOM 412 N ARG 104 9.414 -0.205 -7.707 1.00 0.00 ATOM 413 CA ARG 104 10.859 -0.258 -7.862 1.00 0.00 ATOM 414 CB ARG 104 11.258 -1.421 -8.773 1.00 0.00 ATOM 415 CG ARG 104 11.051 -2.794 -8.154 1.00 0.00 ATOM 416 CD ARG 104 11.420 -3.900 -9.130 1.00 0.00 ATOM 417 NE ARG 104 11.169 -5.226 -8.572 1.00 0.00 ATOM 418 CZ ARG 104 11.198 -6.352 -9.279 1.00 0.00 ATOM 419 NH1 ARG 104 10.956 -7.513 -8.687 1.00 0.00 ATOM 420 NH2 ARG 104 11.469 -6.312 -10.576 1.00 0.00 ATOM 421 O ARG 104 12.586 1.310 -8.397 1.00 0.00 ATOM 422 C ARG 104 11.392 1.032 -8.477 1.00 0.00 ATOM 423 N ALA 105 10.509 1.809 -9.098 1.00 0.00 ATOM 424 CA ALA 105 10.901 3.082 -9.697 1.00 0.00 ATOM 425 CB ALA 105 10.085 3.349 -10.953 1.00 0.00 ATOM 426 O ALA 105 10.811 5.392 -9.019 1.00 0.00 ATOM 427 C ALA 105 10.658 4.212 -8.694 1.00 0.00 ATOM 428 N GLY 106 10.275 3.835 -7.473 1.00 0.00 ATOM 429 CA GLY 106 10.030 4.803 -6.418 1.00 0.00 ATOM 430 O GLY 106 8.628 6.663 -5.907 1.00 0.00 ATOM 431 C GLY 106 8.764 5.626 -6.555 1.00 0.00 ATOM 432 N LYS 107 7.824 5.158 -7.372 1.00 0.00 ATOM 433 CA LYS 107 6.577 5.879 -7.596 1.00 0.00 ATOM 434 CB LYS 107 5.836 5.304 -8.805 1.00 0.00 ATOM 435 CG LYS 107 6.546 5.523 -10.131 1.00 0.00 ATOM 436 CD LYS 107 5.766 4.911 -11.283 1.00 0.00 ATOM 437 CE LYS 107 6.441 5.190 -12.617 1.00 0.00 ATOM 438 NZ LYS 107 5.693 4.587 -13.755 1.00 0.00 ATOM 439 O LYS 107 5.730 4.948 -5.553 1.00 0.00 ATOM 440 C LYS 107 5.615 5.815 -6.423 1.00 0.00 ATOM 441 N HIS 108 4.669 6.749 -6.410 1.00 0.00 ATOM 442 CA HIS 108 3.692 6.833 -5.333 1.00 0.00 ATOM 443 CB HIS 108 2.769 8.036 -5.538 1.00 0.00 ATOM 444 CG HIS 108 1.887 8.327 -4.365 1.00 0.00 ATOM 445 CD2 HIS 108 1.913 9.266 -3.253 1.00 0.00 ATOM 446 ND1 HIS 108 0.719 7.636 -4.122 1.00 0.00 ATOM 447 CE1 HIS 108 0.148 8.121 -3.005 1.00 0.00 ATOM 448 NE2 HIS 108 0.858 9.098 -2.477 1.00 0.00 ATOM 449 O HIS 108 2.495 4.963 -6.245 1.00 0.00 ATOM 450 C HIS 108 2.808 5.601 -5.240 1.00 0.00 ATOM 451 N LEU 109 2.417 5.272 -4.014 1.00 0.00 ATOM 452 CA LEU 109 1.554 4.132 -3.755 1.00 0.00 ATOM 453 CB LEU 109 2.309 3.056 -2.972 1.00 0.00 ATOM 454 CG LEU 109 3.505 2.417 -3.680 1.00 0.00 ATOM 455 CD1 LEU 109 4.266 1.502 -2.731 1.00 0.00 ATOM 456 CD2 LEU 109 3.047 1.590 -4.871 1.00 0.00 ATOM 457 O LEU 109 0.517 5.302 -1.940 1.00 0.00 ATOM 458 C LEU 109 0.354 4.604 -2.938 1.00 0.00 ATOM 459 N LYS 110 -0.845 4.238 -3.382 1.00 0.00 ATOM 460 CA LYS 110 -2.080 4.585 -2.678 1.00 0.00 ATOM 461 CB LYS 110 -3.120 5.131 -3.659 1.00 0.00 ATOM 462 CG LYS 110 -4.412 5.588 -3.003 1.00 0.00 ATOM 463 CD LYS 110 -5.411 6.084 -4.036 1.00 0.00 ATOM 464 CE LYS 110 -6.706 6.536 -3.379 1.00 0.00 ATOM 465 NZ LYS 110 -7.683 7.050 -4.377 1.00 0.00 ATOM 466 O LYS 110 -2.735 2.302 -2.744 1.00 0.00 ATOM 467 C LYS 110 -2.556 3.292 -2.043 1.00 0.00 ATOM 468 N LEU 111 -2.754 3.299 -0.727 1.00 0.00 ATOM 469 CA LEU 111 -3.205 2.103 -0.012 1.00 0.00 ATOM 470 CB LEU 111 -2.217 1.738 1.098 1.00 0.00 ATOM 471 CG LEU 111 -0.787 1.423 0.655 1.00 0.00 ATOM 472 CD1 LEU 111 0.114 1.205 1.861 1.00 0.00 ATOM 473 CD2 LEU 111 -0.753 0.163 -0.197 1.00 0.00 ATOM 474 O LEU 111 -4.716 3.140 1.526 1.00 0.00 ATOM 475 C LEU 111 -4.569 2.314 0.630 1.00 0.00 ATOM 476 N ALA 112 -5.569 1.567 0.176 1.00 0.00 ATOM 477 CA ALA 112 -6.909 1.703 0.734 1.00 0.00 ATOM 478 CB ALA 112 -7.936 1.836 -0.380 1.00 0.00 ATOM 479 O ALA 112 -7.075 -0.658 1.153 1.00 0.00 ATOM 480 C ALA 112 -7.268 0.486 1.572 1.00 0.00 ATOM 481 N MET 113 -7.785 0.754 2.766 1.00 0.00 ATOM 482 CA MET 113 -8.176 -0.282 3.711 1.00 0.00 ATOM 483 CB MET 113 -7.534 -0.033 5.077 1.00 0.00 ATOM 484 CG MET 113 -7.844 -1.100 6.114 1.00 0.00 ATOM 485 SD MET 113 -7.034 -0.792 7.693 1.00 0.00 ATOM 486 CE MET 113 -5.351 -1.267 7.310 1.00 0.00 ATOM 487 O MET 113 -10.266 0.802 4.107 1.00 0.00 ATOM 488 C MET 113 -9.688 -0.252 3.844 1.00 0.00 ATOM 489 N THR 114 -10.317 -1.406 3.635 1.00 0.00 ATOM 490 CA THR 114 -11.766 -1.530 3.720 1.00 0.00 ATOM 491 CB THR 114 -12.381 -1.922 2.364 1.00 0.00 ATOM 492 CG2 THR 114 -12.104 -0.848 1.323 1.00 0.00 ATOM 493 OG1 THR 114 -11.811 -3.160 1.917 1.00 0.00 ATOM 494 O THR 114 -11.585 -3.739 4.642 1.00 0.00 ATOM 495 C THR 114 -12.075 -2.608 4.746 1.00 0.00 ATOM 496 N ILE 115 -15.257 -4.556 6.824 1.00 0.00 ATOM 497 CA ILE 115 -16.686 -4.841 6.926 1.00 0.00 ATOM 498 CB ILE 115 -17.172 -5.710 5.751 1.00 0.00 ATOM 499 CG1 ILE 115 -17.043 -4.946 4.432 1.00 0.00 ATOM 500 CG2 ILE 115 -18.632 -6.098 5.943 1.00 0.00 ATOM 501 CD1 ILE 115 -17.297 -5.796 3.206 1.00 0.00 ATOM 502 O ILE 115 -16.040 -6.521 8.495 1.00 0.00 ATOM 503 C ILE 115 -16.779 -5.576 8.258 1.00 0.00 ATOM 504 N ALA 116 -17.675 -5.131 9.131 1.00 0.00 ATOM 505 CA ALA 116 -17.758 -5.729 10.457 1.00 0.00 ATOM 506 CB ALA 116 -16.866 -4.976 11.434 1.00 0.00 ATOM 507 O ALA 116 -20.058 -5.066 10.605 1.00 0.00 ATOM 508 C ALA 116 -19.146 -5.736 11.077 1.00 0.00 ATOM 509 N ALA 117 -19.290 -6.520 12.141 1.00 0.00 ATOM 510 CA ALA 117 -20.530 -6.580 12.892 1.00 0.00 ATOM 511 CB ALA 117 -20.706 -7.958 13.515 1.00 0.00 ATOM 512 O ALA 117 -19.384 -5.426 14.655 1.00 0.00 ATOM 513 C ALA 117 -20.398 -5.499 13.965 1.00 0.00 ATOM 514 N PRO 118 -21.419 -4.657 14.091 1.00 0.00 ATOM 515 CA PRO 118 -21.382 -3.577 15.060 1.00 0.00 ATOM 516 CB PRO 118 -22.743 -2.895 14.906 1.00 0.00 ATOM 517 CG PRO 118 -23.135 -3.159 13.490 1.00 0.00 ATOM 518 CD PRO 118 -22.676 -4.558 13.185 1.00 0.00 ATOM 519 O PRO 118 -20.439 -3.261 17.227 1.00 0.00 ATOM 520 C PRO 118 -21.190 -3.936 16.522 1.00 0.00 ATOM 521 N GLY 119 -21.863 -4.984 16.989 1.00 0.00 ATOM 522 CA GLY 119 -21.753 -5.401 18.391 1.00 0.00 ATOM 523 O GLY 119 -20.912 -7.592 17.869 1.00 0.00 ATOM 524 C GLY 119 -20.789 -6.576 18.559 1.00 0.00 TER END