PFRMAT TS TARGET T0642 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 T0642 model 2 Sun Jul 18 02:48:39 2010 MODEL 2 PARENT N/A ATOM 2 N CYS 115 1.370 -6.184 -9.986 1.00 0.00 ATOM 3 CA CYS 115 2.655 -6.768 -9.784 1.00 0.00 ATOM 4 CB CYS 115 2.845 -7.148 -8.315 1.00 0.00 ATOM 5 SG CYS 115 2.364 -5.860 -7.141 1.00 0.00 ATOM 6 O CYS 115 2.843 -9.082 -10.318 1.00 0.00 ATOM 7 C CYS 115 2.723 -7.961 -10.711 1.00 0.00 ATOM 8 N ILE 116 2.617 -7.691 -12.013 1.00 0.00 ATOM 9 CA ILE 116 2.786 -8.649 -13.098 1.00 0.00 ATOM 10 CB ILE 116 2.976 -7.941 -14.452 1.00 0.00 ATOM 11 CG1 ILE 116 2.882 -8.949 -15.599 1.00 0.00 ATOM 12 CG2 ILE 116 4.291 -7.177 -14.474 1.00 0.00 ATOM 13 CD1 ILE 116 2.776 -8.311 -16.966 1.00 0.00 ATOM 14 O ILE 116 5.001 -9.088 -12.126 1.00 0.00 ATOM 15 C ILE 116 3.976 -9.511 -12.723 1.00 0.00 ATOM 16 N GLU 117 3.834 -10.771 -13.101 1.00 0.00 ATOM 17 CA GLU 117 4.896 -11.768 -12.931 1.00 0.00 ATOM 18 CB GLU 117 6.141 -11.366 -13.725 1.00 0.00 ATOM 19 CG GLU 117 5.911 -11.258 -15.225 1.00 0.00 ATOM 20 CD GLU 117 7.179 -10.919 -15.985 1.00 0.00 ATOM 21 OE1 GLU 117 8.227 -10.721 -15.335 1.00 0.00 ATOM 22 OE2 GLU 117 7.124 -10.853 -17.230 1.00 0.00 ATOM 23 O GLU 117 6.336 -12.030 -11.061 1.00 0.00 ATOM 24 C GLU 117 5.159 -11.859 -11.451 1.00 0.00 ATOM 25 N ASN 118 4.101 -11.760 -10.621 1.00 0.00 ATOM 26 CA ASN 118 4.240 -11.936 -9.190 1.00 0.00 ATOM 27 CB ASN 118 4.182 -13.420 -8.824 1.00 0.00 ATOM 28 CG ASN 118 2.988 -14.125 -9.436 1.00 0.00 ATOM 29 ND2 ASN 118 3.238 -15.261 -10.078 1.00 0.00 ATOM 30 OD1 ASN 118 1.857 -13.653 -9.331 1.00 0.00 ATOM 31 O ASN 118 6.065 -11.951 -7.668 1.00 0.00 ATOM 32 C ASN 118 5.521 -11.333 -8.577 1.00 0.00 ATOM 33 N THR 119 5.915 -10.103 -9.022 1.00 0.00 ATOM 34 CA THR 119 7.113 -9.435 -8.557 1.00 0.00 ATOM 35 CB THR 119 8.161 -9.312 -9.679 1.00 0.00 ATOM 36 CG2 THR 119 8.467 -10.676 -10.276 1.00 0.00 ATOM 37 OG1 THR 119 7.655 -8.461 -10.716 1.00 0.00 ATOM 38 O THR 119 5.630 -7.631 -8.203 1.00 0.00 ATOM 39 C THR 119 6.774 -8.087 -8.027 1.00 0.00 ATOM 40 N ILE 120 7.762 -7.469 -7.355 1.00 0.00 ATOM 41 CA ILE 120 7.681 -6.047 -6.810 1.00 0.00 ATOM 42 CB ILE 120 6.912 -5.996 -5.476 1.00 0.00 ATOM 43 CG1 ILE 120 6.684 -4.547 -5.047 1.00 0.00 ATOM 44 CG2 ILE 120 7.643 -6.795 -4.408 1.00 0.00 ATOM 45 CD1 ILE 120 5.675 -4.391 -3.931 1.00 0.00 ATOM 46 O ILE 120 9.941 -6.329 -6.197 1.00 0.00 ATOM 47 C ILE 120 9.049 -5.528 -6.657 1.00 0.00 ATOM 48 N PHE 121 9.217 -4.254 -7.028 1.00 0.00 ATOM 49 CA PHE 121 10.437 -3.611 -6.612 1.00 0.00 ATOM 50 CB PHE 121 11.229 -3.128 -7.827 1.00 0.00 ATOM 51 CG PHE 121 11.769 -4.241 -8.680 1.00 0.00 ATOM 52 CD1 PHE 121 10.929 -4.970 -9.503 1.00 0.00 ATOM 53 CD2 PHE 121 13.116 -4.556 -8.661 1.00 0.00 ATOM 54 CE1 PHE 121 11.426 -5.994 -10.288 1.00 0.00 ATOM 55 CE2 PHE 121 13.612 -5.580 -9.445 1.00 0.00 ATOM 56 CZ PHE 121 12.774 -6.297 -10.257 1.00 0.00 ATOM 57 O PHE 121 9.825 -1.402 -5.994 1.00 0.00 ATOM 58 C PHE 121 10.410 -2.392 -5.655 1.00 0.00 ATOM 59 N ILE 122 10.977 -2.480 -4.451 1.00 0.00 ATOM 60 CA ILE 122 10.950 -1.285 -3.693 1.00 0.00 ATOM 61 CB ILE 122 10.515 -1.548 -2.240 1.00 0.00 ATOM 62 CG1 ILE 122 9.120 -2.177 -2.207 1.00 0.00 ATOM 63 CG2 ILE 122 10.576 -0.266 -1.425 1.00 0.00 ATOM 64 CD1 ILE 122 8.702 -2.664 -0.838 1.00 0.00 ATOM 65 O ILE 122 13.296 -1.064 -3.086 1.00 0.00 ATOM 66 C ILE 122 12.330 -0.635 -3.741 1.00 0.00 ATOM 67 N CYS 123 12.490 0.406 -4.529 1.00 0.00 ATOM 68 CA CYS 123 13.766 1.150 -4.516 1.00 0.00 ATOM 69 CB CYS 123 14.026 1.790 -5.882 1.00 0.00 ATOM 70 SG CYS 123 15.563 2.738 -5.981 1.00 0.00 ATOM 71 O CYS 123 12.784 3.058 -3.377 1.00 0.00 ATOM 72 C CYS 123 13.759 2.207 -3.437 1.00 0.00 ATOM 73 N CYS 124 14.829 2.209 -2.621 1.00 0.00 ATOM 74 CA CYS 124 14.945 3.185 -1.490 1.00 0.00 ATOM 75 CB CYS 124 14.468 2.548 -0.183 1.00 0.00 ATOM 76 SG CYS 124 14.529 3.651 1.249 1.00 0.00 ATOM 77 O CYS 124 17.378 3.054 -1.143 1.00 0.00 ATOM 78 C CYS 124 16.324 3.756 -1.235 1.00 0.00 ATOM 79 N GLU 125 16.348 5.070 -1.101 1.00 0.00 ATOM 80 CA GLU 125 17.614 5.713 -0.570 1.00 0.00 ATOM 81 CB GLU 125 18.151 6.741 -1.567 1.00 0.00 ATOM 82 CG GLU 125 18.583 6.148 -2.899 1.00 0.00 ATOM 83 CD GLU 125 19.118 7.195 -3.856 1.00 0.00 ATOM 84 OE1 GLU 125 19.057 8.396 -3.518 1.00 0.00 ATOM 85 OE2 GLU 125 19.598 6.814 -4.945 1.00 0.00 ATOM 86 O GLU 125 16.296 6.893 1.045 1.00 0.00 ATOM 87 C GLU 125 17.383 6.388 0.804 1.00 0.00 ATOM 88 N ASN 126 18.365 6.280 1.698 1.00 0.00 ATOM 89 CA ASN 126 18.161 6.947 2.917 1.00 0.00 ATOM 90 CB ASN 126 17.329 6.084 3.867 1.00 0.00 ATOM 91 CG ASN 126 16.974 6.807 5.152 1.00 0.00 ATOM 92 ND2 ASN 126 15.845 6.436 5.747 1.00 0.00 ATOM 93 OD1 ASN 126 17.706 7.688 5.602 1.00 0.00 ATOM 94 O ASN 126 19.923 6.633 4.469 1.00 0.00 ATOM 95 C ASN 126 19.350 7.413 3.717 1.00 0.00 ATOM 96 N THR 127 19.565 8.730 3.662 1.00 0.00 ATOM 97 CA THR 127 20.732 9.241 4.288 1.00 0.00 ATOM 98 CB THR 127 21.360 10.383 3.467 1.00 0.00 ATOM 99 CG2 THR 127 21.965 9.842 2.180 1.00 0.00 ATOM 100 OG1 THR 127 20.352 11.344 3.132 1.00 0.00 ATOM 101 O THR 127 21.479 10.362 6.278 1.00 0.00 ATOM 102 C THR 127 20.513 9.773 5.730 1.00 0.00 ATOM 106 N SER 130 22.368 7.477 8.255 1.00 0.00 ATOM 107 CA SER 130 23.679 7.254 7.830 1.00 0.00 ATOM 108 CB SER 130 24.089 8.291 6.783 1.00 0.00 ATOM 109 OG SER 130 24.300 9.561 7.379 1.00 0.00 ATOM 110 O SER 130 26.018 7.571 8.195 1.00 0.00 ATOM 111 C SER 130 24.911 7.207 8.675 1.00 0.00 ATOM 112 N THR 131 24.811 6.613 9.851 1.00 0.00 ATOM 113 CA THR 131 26.028 6.672 10.690 1.00 0.00 ATOM 114 CB THR 131 25.677 6.746 12.187 1.00 0.00 ATOM 115 CG2 THR 131 26.098 8.088 12.768 1.00 0.00 ATOM 116 OG1 THR 131 24.262 6.596 12.357 1.00 0.00 ATOM 117 O THR 131 26.425 4.364 10.299 1.00 0.00 ATOM 118 C THR 131 26.909 5.554 10.489 1.00 0.00 ATOM 119 N HIS 132 28.204 5.907 10.526 1.00 0.00 ATOM 120 CA HIS 132 29.276 4.871 10.516 1.00 0.00 ATOM 121 CB HIS 132 30.343 5.216 9.477 1.00 0.00 ATOM 122 CG HIS 132 29.830 5.255 8.072 1.00 0.00 ATOM 123 CD2 HIS 132 29.499 6.303 7.116 1.00 0.00 ATOM 124 ND1 HIS 132 29.542 4.116 7.352 1.00 0.00 ATOM 125 CE1 HIS 132 29.101 4.469 6.131 1.00 0.00 ATOM 126 NE2 HIS 132 29.073 5.779 5.983 1.00 0.00 ATOM 127 O HIS 132 30.637 5.593 12.308 1.00 0.00 ATOM 128 C HIS 132 29.941 4.702 11.897 1.00 0.00 ATOM 129 N ILE 133 29.769 3.574 12.614 1.00 0.00 ATOM 130 CA ILE 133 30.342 3.553 13.913 1.00 0.00 ATOM 131 CB ILE 133 29.536 2.657 14.871 1.00 0.00 ATOM 132 CG1 ILE 133 28.097 3.164 14.991 1.00 0.00 ATOM 133 CG2 ILE 133 30.222 2.573 16.226 1.00 0.00 ATOM 134 CD1 ILE 133 27.179 2.225 15.744 1.00 0.00 ATOM 135 O ILE 133 32.033 2.193 13.032 1.00 0.00 ATOM 136 C ILE 133 31.754 3.093 13.822 1.00 0.00 ATOM 140 N ALA 136 37.449 0.018 17.626 1.00 0.00 ATOM 141 CA ALA 136 38.839 0.122 17.969 1.00 0.00 ATOM 142 CB ALA 136 39.076 1.326 18.866 1.00 0.00 ATOM 143 O ALA 136 38.655 -1.490 19.679 1.00 0.00 ATOM 144 C ALA 136 39.221 -1.192 18.643 1.00 0.00 ATOM 145 N ARG 137 40.142 -1.990 18.054 1.00 0.00 ATOM 146 CA ARG 137 40.589 -3.205 18.694 1.00 0.00 ATOM 147 CB ARG 137 40.320 -4.414 17.793 1.00 0.00 ATOM 148 CG ARG 137 38.848 -4.657 17.506 1.00 0.00 ATOM 149 CD ARG 137 38.655 -5.857 16.593 1.00 0.00 ATOM 150 NE ARG 137 39.054 -7.105 17.238 1.00 0.00 ATOM 151 CZ ARG 137 39.155 -8.272 16.610 1.00 0.00 ATOM 152 NH1 ARG 137 39.528 -9.355 17.280 1.00 0.00 ATOM 153 NH2 ARG 137 38.885 -8.353 15.314 1.00 0.00 ATOM 154 O ARG 137 42.821 -2.654 18.125 1.00 0.00 ATOM 155 C ARG 137 42.058 -3.093 19.019 1.00 0.00 ATOM 156 N GLY 138 42.464 -3.539 20.224 1.00 0.00 ATOM 157 CA GLY 138 43.905 -3.535 20.607 1.00 0.00 ATOM 158 O GLY 138 44.278 -5.808 20.104 1.00 0.00 ATOM 159 C GLY 138 44.768 -4.690 20.156 1.00 0.00 ATOM 160 N GLU 139 46.077 -4.450 19.966 1.00 0.00 ATOM 161 CA GLU 139 47.034 -5.484 19.592 1.00 0.00 ATOM 162 CB GLU 139 48.243 -4.865 18.887 1.00 0.00 ATOM 163 CG GLU 139 47.929 -4.274 17.523 1.00 0.00 ATOM 164 CD GLU 139 49.143 -3.647 16.866 1.00 0.00 ATOM 165 OE1 GLU 139 50.191 -3.538 17.537 1.00 0.00 ATOM 166 OE2 GLU 139 49.047 -3.266 15.680 1.00 0.00 ATOM 167 O GLU 139 47.729 -7.461 20.694 1.00 0.00 ATOM 168 C GLU 139 47.462 -6.247 20.813 1.00 0.00 ATOM 169 N THR 140 47.554 -5.572 21.953 1.00 0.00 ATOM 170 CA THR 140 47.751 -6.264 23.214 1.00 0.00 ATOM 171 CB THR 140 49.223 -6.673 23.411 1.00 0.00 ATOM 172 CG2 THR 140 50.115 -5.442 23.467 1.00 0.00 ATOM 173 OG1 THR 140 49.361 -7.396 24.641 1.00 0.00 ATOM 174 O THR 140 47.633 -4.111 24.254 1.00 0.00 ATOM 175 C THR 140 47.282 -5.324 24.257 1.00 0.00 ATOM 176 N ILE 141 46.458 -5.831 25.169 1.00 0.00 ATOM 177 CA ILE 141 45.916 -4.943 26.295 1.00 0.00 ATOM 178 CB ILE 141 44.520 -5.403 26.755 1.00 0.00 ATOM 179 CG1 ILE 141 44.599 -6.795 27.387 1.00 0.00 ATOM 180 CG2 ILE 141 43.537 -5.363 25.595 1.00 0.00 ATOM 181 CD1 ILE 141 43.319 -7.228 28.069 1.00 0.00 ATOM 182 O ILE 141 46.552 -4.228 28.646 1.00 0.00 ATOM 183 C ILE 141 46.861 -4.891 27.530 1.00 0.00 ATOM 184 N SER 142 48.016 -5.613 27.281 1.00 0.00 ATOM 185 CA SER 142 49.138 -5.750 28.266 1.00 0.00 ATOM 186 CB SER 142 50.152 -6.788 27.783 1.00 0.00 ATOM 187 OG SER 142 50.781 -6.368 26.584 1.00 0.00 ATOM 188 O SER 142 50.693 -4.336 29.463 1.00 0.00 ATOM 189 C SER 142 49.856 -4.406 28.520 1.00 0.00 ATOM 190 N ASP 143 49.521 -3.355 27.724 1.00 0.00 ATOM 191 CA ASP 143 50.167 -2.065 27.959 1.00 0.00 ATOM 192 CB ASP 143 50.289 -1.281 26.652 1.00 0.00 ATOM 193 CG ASP 143 51.110 -2.012 25.608 1.00 0.00 ATOM 194 OD1 ASP 143 52.180 -2.549 25.964 1.00 0.00 ATOM 195 OD2 ASP 143 50.684 -2.048 24.435 1.00 0.00 ATOM 196 O ASP 143 48.182 -1.695 29.125 1.00 0.00 ATOM 197 C ASP 143 49.368 -1.327 28.970 1.00 0.00 ATOM 198 N ILE 144 50.056 -0.404 29.683 1.00 0.00 ATOM 199 CA ILE 144 49.500 0.566 30.658 1.00 0.00 ATOM 200 CB ILE 144 50.104 0.367 32.060 1.00 0.00 ATOM 201 CG1 ILE 144 51.619 0.590 32.024 1.00 0.00 ATOM 202 CG2 ILE 144 49.747 -1.007 32.604 1.00 0.00 ATOM 203 CD1 ILE 144 52.258 0.661 33.394 1.00 0.00 ATOM 204 O ILE 144 49.466 2.951 31.069 1.00 0.00 ATOM 205 C ILE 144 49.695 2.043 30.251 1.00 0.00 ATOM 206 N PHE 145 50.169 2.271 29.017 1.00 0.00 ATOM 207 CA PHE 145 50.330 3.579 28.442 1.00 0.00 ATOM 208 CB PHE 145 51.803 3.993 28.454 1.00 0.00 ATOM 209 CG PHE 145 52.387 4.113 29.833 1.00 0.00 ATOM 210 CD1 PHE 145 52.974 3.022 30.449 1.00 0.00 ATOM 211 CD2 PHE 145 52.349 5.317 30.513 1.00 0.00 ATOM 212 CE1 PHE 145 53.512 3.133 31.717 1.00 0.00 ATOM 213 CE2 PHE 145 52.886 5.429 31.781 1.00 0.00 ATOM 214 CZ PHE 145 53.466 4.343 32.384 1.00 0.00 ATOM 215 O PHE 145 49.988 2.627 26.236 1.00 0.00 ATOM 216 C PHE 145 49.773 3.561 27.037 1.00 0.00 ATOM 217 N PHE 146 49.063 4.608 26.680 1.00 0.00 ATOM 218 CA PHE 146 48.555 4.719 25.321 1.00 0.00 ATOM 219 CB PHE 146 47.539 5.858 25.219 1.00 0.00 ATOM 220 CG PHE 146 46.928 6.005 23.855 1.00 0.00 ATOM 221 CD1 PHE 146 45.922 5.151 23.435 1.00 0.00 ATOM 222 CD2 PHE 146 47.359 6.996 22.991 1.00 0.00 ATOM 223 CE1 PHE 146 45.360 5.287 22.180 1.00 0.00 ATOM 224 CE2 PHE 146 46.796 7.131 21.735 1.00 0.00 ATOM 225 CZ PHE 146 45.800 6.282 21.329 1.00 0.00 ATOM 226 O PHE 146 50.493 5.793 24.427 1.00 0.00 ATOM 227 C PHE 146 49.642 4.936 24.322 1.00 0.00 ATOM 228 N GLU 147 49.574 4.094 23.327 1.00 0.00 ATOM 229 CA GLU 147 50.357 4.214 22.091 1.00 0.00 ATOM 230 CB GLU 147 51.591 3.312 22.148 1.00 0.00 ATOM 231 CG GLU 147 52.455 3.362 20.898 1.00 0.00 ATOM 232 CD GLU 147 53.105 4.716 20.694 1.00 0.00 ATOM 233 OE1 GLU 147 53.763 5.208 21.635 1.00 0.00 ATOM 234 OE2 GLU 147 52.957 5.286 19.592 1.00 0.00 ATOM 235 O GLU 147 48.826 2.713 20.853 1.00 0.00 ATOM 236 C GLU 147 49.427 3.845 20.882 1.00 0.00 ATOM 237 N ARG 148 49.331 4.776 19.918 1.00 0.00 ATOM 238 CA ARG 148 48.635 4.472 18.672 1.00 0.00 ATOM 239 CB ARG 148 48.877 5.575 17.640 1.00 0.00 ATOM 240 CG ARG 148 48.127 5.376 16.333 1.00 0.00 ATOM 241 CD ARG 148 48.333 6.553 15.394 1.00 0.00 ATOM 242 NE ARG 148 47.651 6.360 14.116 1.00 0.00 ATOM 243 CZ ARG 148 47.664 7.242 13.121 1.00 0.00 ATOM 244 NH1 ARG 148 47.015 6.980 11.996 1.00 0.00 ATOM 245 NH2 ARG 148 48.328 8.382 13.256 1.00 0.00 ATOM 246 O ARG 148 48.037 2.574 17.437 1.00 0.00 ATOM 247 C ARG 148 48.937 3.180 17.963 1.00 0.00 ATOM 248 N GLU 149 50.169 2.724 18.049 1.00 0.00 ATOM 249 CA GLU 149 50.578 1.481 17.454 1.00 0.00 ATOM 250 CB GLU 149 52.047 1.192 17.772 1.00 0.00 ATOM 251 CG GLU 149 53.029 2.112 17.064 1.00 0.00 ATOM 252 CD GLU 149 54.466 1.847 17.463 1.00 0.00 ATOM 253 OE1 GLU 149 54.685 1.083 18.425 1.00 0.00 ATOM 254 OE2 GLU 149 55.376 2.405 16.811 1.00 0.00 ATOM 255 O GLU 149 49.469 -0.542 17.077 1.00 0.00 ATOM 256 C GLU 149 49.783 0.329 17.868 1.00 0.00 ATOM 257 N ASN 150 49.408 0.347 19.099 1.00 0.00 ATOM 258 CA ASN 150 48.778 -0.794 19.689 1.00 0.00 ATOM 259 CB ASN 150 49.051 -0.838 21.194 1.00 0.00 ATOM 260 CG ASN 150 48.555 -2.117 21.838 1.00 0.00 ATOM 261 ND2 ASN 150 47.597 -1.987 22.748 1.00 0.00 ATOM 262 OD1 ASN 150 49.028 -3.209 21.520 1.00 0.00 ATOM 263 O ASN 150 46.563 -1.673 19.957 1.00 0.00 ATOM 264 C ASN 150 47.263 -0.810 19.420 1.00 0.00 ATOM 265 N THR 151 46.717 0.173 18.675 1.00 0.00 ATOM 266 CA THR 151 45.244 0.137 18.480 1.00 0.00 ATOM 267 CB THR 151 44.546 1.284 19.234 1.00 0.00 ATOM 268 CG2 THR 151 43.041 1.215 19.033 1.00 0.00 ATOM 269 OG1 THR 151 44.826 1.179 20.635 1.00 0.00 ATOM 270 O THR 151 45.507 0.958 16.302 1.00 0.00 ATOM 271 C THR 151 44.872 0.208 17.034 1.00 0.00 ATOM 272 N ALA 152 43.863 -0.551 16.584 1.00 0.00 ATOM 273 CA ALA 152 43.530 -0.563 15.207 1.00 0.00 ATOM 274 CB ALA 152 43.704 -1.959 14.631 1.00 0.00 ATOM 275 O ALA 152 41.131 -0.652 15.636 1.00 0.00 ATOM 276 C ALA 152 42.093 -0.068 15.049 1.00 0.00 ATOM 277 N ASN 153 41.932 0.988 14.254 1.00 0.00 ATOM 278 CA ASN 153 40.613 1.542 14.116 1.00 0.00 ATOM 279 CB ASN 153 40.675 3.070 14.081 1.00 0.00 ATOM 280 CG ASN 153 41.144 3.664 15.394 1.00 0.00 ATOM 281 ND2 ASN 153 42.063 4.619 15.316 1.00 0.00 ATOM 282 OD1 ASN 153 40.685 3.267 16.466 1.00 0.00 ATOM 283 O ASN 153 40.602 0.750 11.843 1.00 0.00 ATOM 284 C ASN 153 39.934 0.999 12.872 1.00 0.00 ATOM 285 N ASP 154 38.624 0.799 12.925 1.00 0.00 ATOM 286 CA ASP 154 37.936 0.210 11.756 1.00 0.00 ATOM 287 CB ASP 154 37.635 -1.270 12.001 1.00 0.00 ATOM 288 CG ASP 154 36.674 -1.485 13.154 1.00 0.00 ATOM 289 OD1 ASP 154 35.946 -0.532 13.506 1.00 0.00 ATOM 290 OD2 ASP 154 36.649 -2.605 13.705 1.00 0.00 ATOM 291 O ASP 154 36.456 1.964 12.552 1.00 0.00 ATOM 292 C ASP 154 36.708 1.143 11.674 1.00 0.00 ATOM 293 N HIS 155 35.968 1.038 10.581 1.00 0.00 ATOM 294 CA HIS 155 34.707 1.767 10.448 1.00 0.00 ATOM 295 CB HIS 155 34.832 2.868 9.393 1.00 0.00 ATOM 296 CG HIS 155 35.838 3.923 9.739 1.00 0.00 ATOM 297 CD2 HIS 155 37.246 4.150 9.447 1.00 0.00 ATOM 298 ND1 HIS 155 35.529 5.021 10.511 1.00 0.00 ATOM 299 CE1 HIS 155 36.629 5.784 10.647 1.00 0.00 ATOM 300 NE2 HIS 155 37.663 5.267 10.011 1.00 0.00 ATOM 301 O HIS 155 33.914 -0.189 9.333 1.00 0.00 ATOM 302 C HIS 155 33.608 0.746 10.084 1.00 0.00 ATOM 303 N ALA 156 32.426 0.826 10.592 1.00 0.00 ATOM 304 CA ALA 156 31.528 -0.164 10.148 1.00 0.00 ATOM 305 CB ALA 156 31.563 -1.367 11.079 1.00 0.00 ATOM 306 O ALA 156 29.768 1.185 10.960 1.00 0.00 ATOM 307 C ALA 156 30.155 0.417 10.069 1.00 0.00 ATOM 308 N SER 157 29.377 0.097 9.066 1.00 0.00 ATOM 309 CA SER 157 28.014 0.730 8.959 1.00 0.00 ATOM 310 CB SER 157 27.934 1.626 7.721 1.00 0.00 ATOM 311 OG SER 157 26.631 2.159 7.562 1.00 0.00 ATOM 312 O SER 157 27.290 -1.397 8.440 1.00 0.00 ATOM 313 C SER 157 26.927 -0.410 8.911 1.00 0.00 ATOM 314 N VAL 158 25.693 -0.348 9.466 1.00 0.00 ATOM 315 CA VAL 158 24.705 -1.444 9.385 1.00 0.00 ATOM 316 CB VAL 158 24.716 -2.309 10.660 1.00 0.00 ATOM 317 CG1 VAL 158 23.666 -3.406 10.567 1.00 0.00 ATOM 318 CG2 VAL 158 26.097 -2.905 10.887 1.00 0.00 ATOM 319 O VAL 158 22.824 0.247 9.714 1.00 0.00 ATOM 320 C VAL 158 23.325 -0.806 9.140 1.00 0.00 ATOM 321 N GLU 159 22.634 -1.453 8.250 1.00 0.00 ATOM 322 CA GLU 159 21.395 -0.881 7.788 1.00 0.00 ATOM 323 CB GLU 159 21.377 -0.804 6.260 1.00 0.00 ATOM 324 CG GLU 159 21.183 0.600 5.712 1.00 0.00 ATOM 325 CD GLU 159 21.868 1.657 6.558 1.00 0.00 ATOM 326 OE1 GLU 159 23.074 1.501 6.842 1.00 0.00 ATOM 327 OE2 GLU 159 21.197 2.637 6.940 1.00 0.00 ATOM 328 O GLU 159 20.640 -3.037 8.734 1.00 0.00 ATOM 329 C GLU 159 20.344 -1.843 8.402 1.00 0.00 ATOM 330 N ARG 160 19.105 -1.323 8.651 1.00 0.00 ATOM 331 CA ARG 160 18.016 -2.297 9.019 1.00 0.00 ATOM 332 CB ARG 160 17.871 -2.390 10.539 1.00 0.00 ATOM 333 CG ARG 160 16.830 -3.396 11.003 1.00 0.00 ATOM 334 CD ARG 160 16.776 -3.475 12.520 1.00 0.00 ATOM 335 NE ARG 160 15.748 -4.403 12.983 1.00 0.00 ATOM 336 CZ ARG 160 15.416 -4.575 14.258 1.00 0.00 ATOM 337 NH1 ARG 160 14.468 -5.442 14.587 1.00 0.00 ATOM 338 NH2 ARG 160 16.033 -3.878 15.204 1.00 0.00 ATOM 339 O ARG 160 16.128 -0.819 8.687 1.00 0.00 ATOM 340 C ARG 160 16.707 -1.916 8.409 1.00 0.00 ATOM 341 N TYR 161 16.250 -2.847 7.536 1.00 0.00 ATOM 342 CA TYR 161 14.990 -2.665 6.820 1.00 0.00 ATOM 343 CB TYR 161 15.186 -2.906 5.322 1.00 0.00 ATOM 344 CG TYR 161 15.956 -1.808 4.620 1.00 0.00 ATOM 345 CD1 TYR 161 17.310 -1.619 4.868 1.00 0.00 ATOM 346 CD2 TYR 161 15.326 -0.966 3.713 1.00 0.00 ATOM 347 CE1 TYR 161 18.021 -0.619 4.232 1.00 0.00 ATOM 348 CE2 TYR 161 16.021 0.040 3.068 1.00 0.00 ATOM 349 CZ TYR 161 17.379 0.207 3.337 1.00 0.00 ATOM 350 OH TYR 161 18.086 1.204 2.702 1.00 0.00 ATOM 351 O TYR 161 14.278 -4.451 8.131 1.00 0.00 ATOM 352 C TYR 161 13.947 -3.587 7.368 1.00 0.00 ATOM 353 N SER 162 12.674 -3.277 7.076 1.00 0.00 ATOM 354 CA SER 162 11.528 -4.118 7.294 1.00 0.00 ATOM 355 CB SER 162 10.973 -3.915 8.705 1.00 0.00 ATOM 356 OG SER 162 9.825 -4.715 8.922 1.00 0.00 ATOM 357 O SER 162 10.305 -2.502 5.856 1.00 0.00 ATOM 358 C SER 162 10.543 -3.730 6.197 1.00 0.00 ATOM 359 N PRO 163 9.993 -4.750 5.562 1.00 0.00 ATOM 360 CA PRO 163 9.196 -4.513 4.324 1.00 0.00 ATOM 361 CB PRO 163 9.952 -5.287 3.242 1.00 0.00 ATOM 362 CG PRO 163 10.620 -6.401 3.979 1.00 0.00 ATOM 363 CD PRO 163 10.984 -5.849 5.328 1.00 0.00 ATOM 364 O PRO 163 7.629 -6.279 4.945 1.00 0.00 ATOM 365 C PRO 163 7.807 -5.057 4.600 1.00 0.00 ATOM 366 N GLU 164 6.846 -4.154 4.540 1.00 0.00 ATOM 367 CA GLU 164 5.486 -4.585 4.796 1.00 0.00 ATOM 368 CB GLU 164 4.922 -3.876 6.028 1.00 0.00 ATOM 369 CG GLU 164 5.651 -4.203 7.320 1.00 0.00 ATOM 370 CD GLU 164 5.055 -3.494 8.522 1.00 0.00 ATOM 371 OE1 GLU 164 4.225 -2.582 8.321 1.00 0.00 ATOM 372 OE2 GLU 164 5.418 -3.851 9.662 1.00 0.00 ATOM 373 O GLU 164 4.949 -3.336 2.863 1.00 0.00 ATOM 374 C GLU 164 4.646 -4.310 3.579 1.00 0.00 ATOM 375 N CYS 165 3.622 -5.158 3.317 1.00 0.00 ATOM 376 CA CYS 165 2.832 -5.059 2.054 1.00 0.00 ATOM 377 CB CYS 165 3.504 -5.861 0.937 1.00 0.00 ATOM 378 SG CYS 165 3.602 -7.639 1.251 1.00 0.00 ATOM 379 O CYS 165 1.370 -6.265 3.396 1.00 0.00 ATOM 380 C CYS 165 1.528 -5.539 2.385 1.00 0.00 ATOM 381 N ILE 166 0.590 -5.189 1.506 1.00 0.00 ATOM 382 CA ILE 166 -0.820 -5.737 1.578 1.00 0.00 ATOM 383 CB ILE 166 -1.722 -4.859 2.463 1.00 0.00 ATOM 384 CG1 ILE 166 -1.390 -5.072 3.942 1.00 0.00 ATOM 385 CG2 ILE 166 -3.188 -5.132 2.168 1.00 0.00 ATOM 386 CD1 ILE 166 -2.153 -4.160 4.877 1.00 0.00 ATOM 387 O ILE 166 -1.623 -4.863 -0.518 1.00 0.00 ATOM 388 C ILE 166 -1.405 -5.859 0.185 1.00 0.00 ATOM 389 N PHE 167 -1.718 -7.096 -0.199 1.00 0.00 ATOM 390 CA PHE 167 -2.067 -7.359 -1.620 1.00 0.00 ATOM 391 CB PHE 167 -1.201 -8.487 -2.184 1.00 0.00 ATOM 392 CG PHE 167 0.270 -8.184 -2.175 1.00 0.00 ATOM 393 CD1 PHE 167 1.099 -8.738 -1.214 1.00 0.00 ATOM 394 CD2 PHE 167 0.825 -7.349 -3.126 1.00 0.00 ATOM 395 CE1 PHE 167 2.453 -8.459 -1.205 1.00 0.00 ATOM 396 CE2 PHE 167 2.180 -7.071 -3.118 1.00 0.00 ATOM 397 CZ PHE 167 2.993 -7.622 -2.163 1.00 0.00 ATOM 398 O PHE 167 -4.184 -8.420 -0.922 1.00 0.00 ATOM 399 C PHE 167 -3.528 -7.709 -1.795 1.00 0.00 ATOM 403 N HIS 180 -4.069 -7.165 -2.909 1.00 0.00 ATOM 404 CA HIS 180 -5.391 -7.606 -3.257 1.00 0.00 ATOM 405 CB HIS 180 -6.269 -6.413 -3.638 1.00 0.00 ATOM 406 CG HIS 180 -6.514 -5.458 -2.512 1.00 0.00 ATOM 407 CD2 HIS 180 -6.019 -4.139 -2.142 1.00 0.00 ATOM 408 ND1 HIS 180 -7.390 -5.728 -1.482 1.00 0.00 ATOM 409 CE1 HIS 180 -7.395 -4.689 -0.627 1.00 0.00 ATOM 410 NE2 HIS 180 -6.577 -3.733 -1.017 1.00 0.00 ATOM 411 O HIS 180 -4.632 -8.468 -5.422 1.00 0.00 ATOM 412 C HIS 180 -5.361 -8.676 -4.470 1.00 0.00 ATOM 413 N GLU 181 -6.080 -9.838 -4.324 1.00 0.00 ATOM 414 CA GLU 181 -6.369 -10.777 -5.359 1.00 0.00 ATOM 415 CB GLU 181 -7.212 -11.933 -4.814 1.00 0.00 ATOM 416 CG GLU 181 -7.493 -13.027 -5.830 1.00 0.00 ATOM 417 CD GLU 181 -8.301 -14.170 -5.246 1.00 0.00 ATOM 418 OE1 GLU 181 -8.683 -14.082 -4.060 1.00 0.00 ATOM 419 OE2 GLU 181 -8.551 -15.154 -5.974 1.00 0.00 ATOM 420 O GLU 181 -8.158 -9.453 -6.570 1.00 0.00 ATOM 421 C GLU 181 -7.111 -10.175 -6.598 1.00 0.00 ATOM 422 N CYS 182 -6.513 -10.492 -7.765 1.00 0.00 ATOM 423 CA CYS 182 -7.192 -9.950 -8.963 1.00 0.00 ATOM 424 CB CYS 182 -6.472 -8.698 -9.467 1.00 0.00 ATOM 425 SG CYS 182 -6.357 -7.362 -8.254 1.00 0.00 ATOM 426 O CYS 182 -6.369 -11.777 -9.945 1.00 0.00 ATOM 427 C CYS 182 -7.232 -10.977 -9.977 1.00 0.00 ATOM 428 N LYS 183 -8.310 -10.974 -10.768 1.00 0.00 ATOM 429 CA LYS 183 -8.634 -11.958 -11.746 1.00 0.00 ATOM 430 CB LYS 183 -9.942 -12.664 -11.382 1.00 0.00 ATOM 431 CG LYS 183 -11.192 -11.913 -11.809 1.00 0.00 ATOM 432 CD LYS 183 -12.430 -12.784 -11.683 1.00 0.00 ATOM 433 CE LYS 183 -12.450 -13.528 -10.357 1.00 0.00 ATOM 434 NZ LYS 183 -13.766 -14.176 -10.103 1.00 0.00 ATOM 435 O LYS 183 -9.394 -10.354 -13.303 1.00 0.00 ATOM 436 C LYS 183 -8.747 -11.368 -13.127 1.00 0.00 ATOM 437 N ILE 184 -7.963 -11.959 -14.055 1.00 0.00 ATOM 438 CA ILE 184 -8.020 -11.579 -15.517 1.00 0.00 ATOM 439 CB ILE 184 -6.614 -11.312 -16.086 1.00 0.00 ATOM 440 CG1 ILE 184 -5.820 -10.404 -15.145 1.00 0.00 ATOM 441 CG2 ILE 184 -6.709 -10.730 -17.489 1.00 0.00 ATOM 442 CD1 ILE 184 -4.620 -9.751 -15.794 1.00 0.00 ATOM 443 O ILE 184 -8.285 -13.663 -16.435 1.00 0.00 ATOM 444 C ILE 184 -8.657 -12.503 -16.469 1.00 0.00 ATOM 445 N THR 185 -9.627 -12.020 -17.276 1.00 0.00 ATOM 446 CA THR 185 -10.311 -12.990 -18.169 1.00 0.00 ATOM 447 CB THR 185 -11.807 -12.658 -18.324 1.00 0.00 ATOM 448 CG2 THR 185 -12.481 -13.656 -19.251 1.00 0.00 ATOM 449 OG1 THR 185 -12.448 -12.717 -17.043 1.00 0.00 ATOM 450 O THR 185 -9.699 -11.959 -20.254 1.00 0.00 ATOM 451 C THR 185 -9.620 -12.994 -19.545 1.00 0.00 ATOM 452 N ALA 186 -8.905 -14.095 -19.892 1.00 0.00 ATOM 453 CA ALA 186 -8.196 -14.200 -21.128 1.00 0.00 ATOM 454 CB ALA 186 -7.251 -15.391 -21.095 1.00 0.00 ATOM 455 O ALA 186 -9.620 -15.366 -22.740 1.00 0.00 ATOM 456 C ALA 186 -9.115 -14.328 -22.343 1.00 0.00 ATOM 457 N THR 187 -9.393 -13.179 -22.926 1.00 0.00 ATOM 458 CA THR 187 -10.199 -13.192 -24.073 1.00 0.00 ATOM 459 CB THR 187 -11.388 -12.223 -23.938 1.00 0.00 ATOM 460 CG2 THR 187 -12.306 -12.661 -22.806 1.00 0.00 ATOM 461 OG1 THR 187 -10.905 -10.904 -23.651 1.00 0.00 ATOM 462 O THR 187 -8.119 -12.340 -25.105 1.00 0.00 ATOM 463 C THR 187 -9.312 -12.821 -25.266 1.00 0.00 ATOM 464 N THR 188 -9.950 -12.973 -26.451 1.00 0.00 ATOM 465 CA THR 188 -9.418 -12.325 -27.687 1.00 0.00 ATOM 466 CB THR 188 -10.547 -11.986 -28.678 1.00 0.00 ATOM 467 CG2 THR 188 -9.983 -11.302 -29.914 1.00 0.00 ATOM 468 OG1 THR 188 -11.211 -13.189 -29.082 1.00 0.00 ATOM 469 O THR 188 -7.316 -10.984 -27.913 1.00 0.00 ATOM 470 C THR 188 -8.573 -10.988 -27.605 1.00 0.00 ATOM 471 N HIS 189 -9.277 -9.920 -27.181 1.00 0.00 ATOM 472 CA HIS 189 -8.699 -8.605 -27.086 1.00 0.00 ATOM 473 CB HIS 189 -9.796 -7.540 -27.032 1.00 0.00 ATOM 474 CG HIS 189 -9.275 -6.138 -26.982 1.00 0.00 ATOM 475 CD2 HIS 189 -9.200 -5.093 -25.971 1.00 0.00 ATOM 476 ND1 HIS 189 -8.691 -5.522 -28.067 1.00 0.00 ATOM 477 CE1 HIS 189 -8.326 -4.275 -27.719 1.00 0.00 ATOM 478 NE2 HIS 189 -8.629 -4.012 -26.463 1.00 0.00 ATOM 479 O HIS 189 -6.683 -7.880 -25.964 1.00 0.00 ATOM 480 C HIS 189 -7.794 -8.469 -25.869 1.00 0.00 ATOM 481 N GLU 190 -8.270 -8.948 -24.722 1.00 0.00 ATOM 482 CA GLU 190 -7.445 -8.856 -23.637 1.00 0.00 ATOM 483 CB GLU 190 -8.098 -9.498 -22.411 1.00 0.00 ATOM 484 CG GLU 190 -7.266 -9.403 -21.143 1.00 0.00 ATOM 485 CD GLU 190 -7.096 -7.974 -20.663 1.00 0.00 ATOM 486 OE1 GLU 190 -7.899 -7.111 -21.075 1.00 0.00 ATOM 487 OE2 GLU 190 -6.160 -7.719 -19.876 1.00 0.00 ATOM 488 O GLU 190 -5.023 -8.991 -23.683 1.00 0.00 ATOM 489 C GLU 190 -6.077 -9.530 -23.944 1.00 0.00 ATOM 490 N MET 191 -6.085 -10.695 -24.547 1.00 0.00 ATOM 491 CA MET 191 -4.786 -11.385 -24.762 1.00 0.00 ATOM 492 CB MET 191 -5.012 -12.783 -25.342 1.00 0.00 ATOM 493 CG MET 191 -5.420 -13.824 -24.312 1.00 0.00 ATOM 494 SD MET 191 -5.471 -15.493 -24.992 1.00 0.00 ATOM 495 CE MET 191 -7.172 -15.582 -25.545 1.00 0.00 ATOM 496 O MET 191 -2.438 -10.747 -25.472 1.00 0.00 ATOM 497 C MET 191 -3.732 -10.694 -25.686 1.00 0.00 TER END