PFRMAT TS TARGET T0557 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 T0557 model 4 Mon May 24 20:34:28 2010 MODEL 4 PARENT N/A ATOM 2 N ASP 46 -5.739 12.251 -7.162 1.00 0.00 ATOM 3 CA ASP 46 -4.739 11.358 -7.756 1.00 0.00 ATOM 4 CB ASP 46 -4.373 11.824 -9.166 1.00 0.00 ATOM 5 CG ASP 46 -5.509 11.641 -10.154 1.00 0.00 ATOM 6 OD1 ASP 46 -6.477 10.926 -9.818 1.00 0.00 ATOM 7 OD2 ASP 46 -5.430 12.208 -11.263 1.00 0.00 ATOM 8 O ASP 46 -2.513 12.006 -7.112 1.00 0.00 ATOM 9 C ASP 46 -3.496 11.295 -6.874 1.00 0.00 ATOM 10 N GLY 47 -3.547 10.440 -5.854 1.00 0.00 ATOM 11 CA GLY 47 -2.469 10.354 -4.871 1.00 0.00 ATOM 12 O GLY 47 -2.245 8.010 -5.342 1.00 0.00 ATOM 13 C GLY 47 -1.696 9.028 -4.957 1.00 0.00 ATOM 14 N GLY 48 -0.409 9.059 -4.641 1.00 0.00 ATOM 15 CA GLY 48 0.321 7.815 -4.424 1.00 0.00 ATOM 16 O GLY 48 1.462 8.702 -2.499 1.00 0.00 ATOM 17 C GLY 48 0.809 7.763 -2.983 1.00 0.00 ATOM 18 N TYR 49 0.473 6.667 -2.306 1.00 0.00 ATOM 19 CA TYR 49 0.733 6.522 -0.866 1.00 0.00 ATOM 20 CB TYR 49 -0.555 6.731 -0.066 1.00 0.00 ATOM 21 CG TYR 49 -1.153 8.111 -0.217 1.00 0.00 ATOM 22 CD1 TYR 49 -2.029 8.396 -1.256 1.00 0.00 ATOM 23 CD2 TYR 49 -0.842 9.123 0.682 1.00 0.00 ATOM 24 CE1 TYR 49 -2.581 9.655 -1.401 1.00 0.00 ATOM 25 CE2 TYR 49 -1.383 10.387 0.553 1.00 0.00 ATOM 26 CZ TYR 49 -2.260 10.647 -0.501 1.00 0.00 ATOM 27 OH TYR 49 -2.809 11.901 -0.643 1.00 0.00 ATOM 28 O TYR 49 0.821 4.112 -0.876 1.00 0.00 ATOM 29 C TYR 49 1.332 5.171 -0.495 1.00 0.00 ATOM 30 N LEU 50 2.420 5.224 0.260 1.00 0.00 ATOM 31 CA LEU 50 3.042 4.023 0.800 1.00 0.00 ATOM 32 CB LEU 50 4.559 4.075 0.619 1.00 0.00 ATOM 33 CG LEU 50 5.350 2.891 1.178 1.00 0.00 ATOM 34 CD1 LEU 50 5.009 1.613 0.427 1.00 0.00 ATOM 35 CD2 LEU 50 6.846 3.164 1.107 1.00 0.00 ATOM 36 O LEU 50 2.753 4.836 3.027 1.00 0.00 ATOM 37 C LEU 50 2.683 3.873 2.257 1.00 0.00 ATOM 38 N LEU 51 2.274 2.669 2.630 1.00 0.00 ATOM 39 CA LEU 51 2.028 2.373 4.032 1.00 0.00 ATOM 40 CB LEU 51 0.558 2.008 4.253 1.00 0.00 ATOM 41 CG LEU 51 0.165 1.611 5.677 1.00 0.00 ATOM 42 CD1 LEU 51 0.348 2.782 6.632 1.00 0.00 ATOM 43 CD2 LEU 51 -1.272 1.115 5.719 1.00 0.00 ATOM 44 O LEU 51 2.875 0.110 3.918 1.00 0.00 ATOM 45 C LEU 51 2.959 1.239 4.444 1.00 0.00 ATOM 46 N LEU 52 3.847 1.562 5.379 1.00 0.00 ATOM 47 CA LEU 52 4.851 0.624 5.844 1.00 0.00 ATOM 48 CB LEU 52 6.229 1.001 5.298 1.00 0.00 ATOM 49 CG LEU 52 6.761 2.380 5.691 1.00 0.00 ATOM 50 CD1 LEU 52 7.354 2.349 7.092 1.00 0.00 ATOM 51 CD2 LEU 52 7.799 2.862 4.690 1.00 0.00 ATOM 52 O LEU 52 4.482 1.470 8.073 1.00 0.00 ATOM 53 C LEU 52 4.905 0.556 7.361 1.00 0.00 ATOM 54 N GLY 53 5.456 -0.547 7.846 1.00 0.00 ATOM 55 CA GLY 53 5.575 -0.790 9.262 1.00 0.00 ATOM 56 O GLY 53 5.794 -3.034 8.509 1.00 0.00 ATOM 57 C GLY 53 5.936 -2.244 9.440 1.00 0.00 ATOM 58 N VAL 54 6.409 -2.606 10.627 1.00 0.00 ATOM 59 CA VAL 54 6.634 -4.018 10.926 1.00 0.00 ATOM 60 CB VAL 54 7.322 -4.204 12.291 1.00 0.00 ATOM 61 CG1 VAL 54 7.447 -5.682 12.629 1.00 0.00 ATOM 62 CG2 VAL 54 8.689 -3.534 12.294 1.00 0.00 ATOM 63 O VAL 54 4.225 -4.186 11.029 1.00 0.00 ATOM 64 C VAL 54 5.328 -4.780 10.895 1.00 0.00 ATOM 68 N ARG 67 5.440 -6.098 10.733 1.00 0.00 ATOM 69 CA ARG 67 4.287 -6.967 10.920 1.00 0.00 ATOM 70 CB ARG 67 4.698 -8.436 10.797 1.00 0.00 ATOM 71 CG ARG 67 5.120 -8.847 9.396 1.00 0.00 ATOM 72 CD ARG 67 5.489 -10.320 9.340 1.00 0.00 ATOM 73 NE ARG 67 5.949 -10.720 8.012 1.00 0.00 ATOM 74 CZ ARG 67 5.151 -11.168 7.049 1.00 0.00 ATOM 75 NH1 ARG 67 5.658 -11.508 5.872 1.00 0.00 ATOM 76 NH2 ARG 67 3.847 -11.275 7.265 1.00 0.00 ATOM 77 O ARG 67 4.359 -6.422 13.254 1.00 0.00 ATOM 78 C ARG 67 3.652 -6.701 12.268 1.00 0.00 ATOM 79 N PRO 68 2.325 -6.784 12.313 1.00 0.00 ATOM 80 CA PRO 68 1.557 -6.529 13.522 1.00 0.00 ATOM 81 CB PRO 68 2.249 -7.382 14.588 1.00 0.00 ATOM 82 CG PRO 68 3.660 -7.496 14.115 1.00 0.00 ATOM 83 CD PRO 68 3.594 -7.542 12.615 1.00 0.00 ATOM 84 O PRO 68 1.064 -4.820 15.166 1.00 0.00 ATOM 85 C PRO 68 1.491 -5.080 14.014 1.00 0.00 ATOM 86 N VAL 69 1.894 -4.136 13.153 1.00 0.00 ATOM 87 CA VAL 69 1.895 -2.719 13.553 1.00 0.00 ATOM 88 CB VAL 69 2.768 -1.868 12.612 1.00 0.00 ATOM 89 CG1 VAL 69 2.611 -0.389 12.931 1.00 0.00 ATOM 90 CG2 VAL 69 4.228 -2.287 12.716 1.00 0.00 ATOM 91 O VAL 69 0.143 -1.337 14.413 1.00 0.00 ATOM 92 C VAL 69 0.475 -2.173 13.584 1.00 0.00 ATOM 93 N GLY 70 -0.351 -2.657 12.671 1.00 0.00 ATOM 94 CA GLY 70 -1.754 -2.256 12.593 1.00 0.00 ATOM 95 O GLY 70 -3.147 -1.101 11.058 1.00 0.00 ATOM 96 C GLY 70 -2.093 -1.695 11.230 1.00 0.00 ATOM 100 N PRO 74 -1.217 -1.922 10.248 1.00 0.00 ATOM 101 CA PRO 74 -1.417 -1.413 8.891 1.00 0.00 ATOM 102 CB PRO 74 -0.276 -2.042 8.088 1.00 0.00 ATOM 103 CG PRO 74 0.830 -2.205 9.075 1.00 0.00 ATOM 104 CD PRO 74 0.182 -2.645 10.358 1.00 0.00 ATOM 105 O PRO 74 -3.469 -0.895 7.727 1.00 0.00 ATOM 106 C PRO 74 -2.761 -1.776 8.254 1.00 0.00 ATOM 107 N ASP 75 -3.091 -3.061 8.296 1.00 0.00 ATOM 108 CA ASP 75 -4.315 -3.582 7.674 1.00 0.00 ATOM 109 CB ASP 75 -4.317 -5.113 7.694 1.00 0.00 ATOM 110 CG ASP 75 -3.311 -5.709 6.730 1.00 0.00 ATOM 111 OD1 ASP 75 -2.811 -4.966 5.858 1.00 0.00 ATOM 112 OD2 ASP 75 -3.022 -6.918 6.845 1.00 0.00 ATOM 113 O ASP 75 -6.537 -2.667 7.763 1.00 0.00 ATOM 114 C ASP 75 -5.548 -3.027 8.403 1.00 0.00 ATOM 115 N LYS 76 -5.464 -2.948 9.735 1.00 0.00 ATOM 116 CA LYS 76 -6.577 -2.439 10.539 1.00 0.00 ATOM 117 CB LYS 76 -6.287 -2.619 12.031 1.00 0.00 ATOM 118 CG LYS 76 -7.400 -2.132 12.944 1.00 0.00 ATOM 119 CD LYS 76 -7.068 -2.388 14.405 1.00 0.00 ATOM 120 CE LYS 76 -8.165 -1.868 15.320 1.00 0.00 ATOM 121 NZ LYS 76 -7.853 -2.111 16.756 1.00 0.00 ATOM 122 O LYS 76 -7.975 -0.575 10.056 1.00 0.00 ATOM 123 C LYS 76 -6.834 -0.976 10.224 1.00 0.00 ATOM 124 N VAL 77 -5.771 -0.174 10.162 1.00 0.00 ATOM 125 CA VAL 77 -5.885 1.233 9.801 1.00 0.00 ATOM 126 CB VAL 77 -4.511 1.926 9.780 1.00 0.00 ATOM 127 CG1 VAL 77 -4.626 3.325 9.195 1.00 0.00 ATOM 128 CG2 VAL 77 -3.920 1.978 11.181 1.00 0.00 ATOM 129 O VAL 77 -7.562 2.122 8.299 1.00 0.00 ATOM 130 C VAL 77 -6.571 1.383 8.437 1.00 0.00 ATOM 131 N GLN 78 -6.081 0.663 7.431 1.00 0.00 ATOM 132 CA GLN 78 -6.685 0.793 6.112 1.00 0.00 ATOM 133 CB GLN 78 -5.919 -0.047 5.087 1.00 0.00 ATOM 134 CG GLN 78 -6.416 0.113 3.660 1.00 0.00 ATOM 135 CD GLN 78 -6.202 1.515 3.124 1.00 0.00 ATOM 136 OE1 GLN 78 -5.294 2.224 3.555 1.00 0.00 ATOM 137 NE2 GLN 78 -7.042 1.919 2.177 1.00 0.00 ATOM 138 O GLN 78 -8.985 1.040 5.506 1.00 0.00 ATOM 139 C GLN 78 -8.162 0.381 6.127 1.00 0.00 ATOM 140 N ARG 79 -8.482 -0.676 6.875 1.00 0.00 ATOM 141 CA ARG 79 -9.857 -1.176 7.028 1.00 0.00 ATOM 142 CB ARG 79 -9.878 -2.426 7.912 1.00 0.00 ATOM 143 CG ARG 79 -9.287 -3.661 7.253 1.00 0.00 ATOM 144 CD ARG 79 -9.607 -4.917 8.047 1.00 0.00 ATOM 145 NE ARG 79 -9.014 -4.886 9.382 1.00 0.00 ATOM 146 CZ ARG 79 -7.788 -5.316 9.664 1.00 0.00 ATOM 147 NH1 ARG 79 -7.333 -5.248 10.907 1.00 0.00 ATOM 148 NH2 ARG 79 -7.021 -5.809 8.703 1.00 0.00 ATOM 149 O ARG 79 -12.012 -0.145 7.250 1.00 0.00 ATOM 150 C ARG 79 -10.830 -0.150 7.615 1.00 0.00 ATOM 151 N ASP 80 -10.349 0.692 8.531 1.00 0.00 ATOM 152 CA ASP 80 -11.201 1.711 9.158 1.00 0.00 ATOM 153 CB ASP 80 -10.418 2.484 10.220 1.00 0.00 ATOM 154 CG ASP 80 -10.145 1.656 11.460 1.00 0.00 ATOM 155 OD1 ASP 80 -10.783 0.592 11.618 1.00 0.00 ATOM 156 OD2 ASP 80 -9.296 2.070 12.277 1.00 0.00 ATOM 157 O ASP 80 -12.871 3.220 8.313 1.00 0.00 ATOM 158 C ASP 80 -11.777 2.689 8.135 1.00 0.00 ATOM 159 N LEU 81 -11.017 2.917 7.070 1.00 0.00 ATOM 160 CA LEU 81 -11.436 3.785 5.977 1.00 0.00 ATOM 161 CB LEU 81 -10.242 4.566 5.426 1.00 0.00 ATOM 162 CG LEU 81 -9.615 5.599 6.365 1.00 0.00 ATOM 163 CD1 LEU 81 -8.353 6.185 5.752 1.00 0.00 ATOM 164 CD2 LEU 81 -10.609 6.703 6.688 1.00 0.00 ATOM 165 O LEU 81 -13.201 3.345 4.421 1.00 0.00 ATOM 166 C LEU 81 -12.101 2.999 4.849 1.00 0.00 ATOM 167 N ALA 82 -11.452 1.923 4.405 1.00 0.00 ATOM 168 CA ALA 82 -11.912 1.153 3.249 1.00 0.00 ATOM 169 CB ALA 82 -10.842 0.164 2.811 1.00 0.00 ATOM 170 O ALA 82 -13.906 0.122 2.444 1.00 0.00 ATOM 171 C ALA 82 -13.204 0.370 3.431 1.00 0.00 ATOM 172 N SER 83 -13.490 -0.051 4.665 1.00 0.00 ATOM 173 CA SER 83 -14.716 -0.797 4.993 1.00 0.00 ATOM 174 CB SER 83 -15.909 0.154 5.102 1.00 0.00 ATOM 175 OG SER 83 -15.713 1.101 6.138 1.00 0.00 ATOM 176 O SER 83 -16.252 -2.070 3.617 1.00 0.00 ATOM 177 C SER 83 -15.077 -1.910 3.986 1.00 0.00 ATOM 178 N GLN 84 -14.063 -2.657 3.544 1.00 0.00 ATOM 179 CA GLN 84 -14.239 -3.800 2.623 1.00 0.00 ATOM 180 CB GLN 84 -15.287 -4.773 3.168 1.00 0.00 ATOM 181 CG GLN 84 -14.940 -5.360 4.526 1.00 0.00 ATOM 182 CD GLN 84 -13.709 -6.244 4.481 1.00 0.00 ATOM 183 OE1 GLN 84 -13.681 -7.248 3.769 1.00 0.00 ATOM 184 NE2 GLN 84 -12.687 -5.872 5.243 1.00 0.00 ATOM 185 O GLN 84 -15.094 -4.366 0.445 1.00 0.00 ATOM 186 C GLN 84 -14.644 -3.474 1.179 1.00 0.00 ATOM 187 N CYS 85 -14.480 -2.221 0.757 1.00 0.00 ATOM 188 CA CYS 85 -14.924 -1.831 -0.583 1.00 0.00 ATOM 189 CB CYS 85 -15.168 -0.323 -0.648 1.00 0.00 ATOM 190 SG CYS 85 -16.476 0.270 0.452 1.00 0.00 ATOM 191 O CYS 85 -14.367 -2.296 -2.869 1.00 0.00 ATOM 192 C CYS 85 -13.948 -2.211 -1.712 1.00 0.00 ATOM 196 N MET 88 -8.856 -6.472 -0.543 1.00 0.00 ATOM 197 CA MET 88 -7.748 -7.265 0.001 1.00 0.00 ATOM 198 CB MET 88 -8.247 -8.193 1.110 1.00 0.00 ATOM 199 CG MET 88 -7.140 -8.939 1.840 1.00 0.00 ATOM 200 SD MET 88 -7.768 -10.013 3.145 1.00 0.00 ATOM 201 CE MET 88 -8.346 -8.800 4.331 1.00 0.00 ATOM 202 O MET 88 -7.786 -8.916 -1.748 1.00 0.00 ATOM 203 C MET 88 -7.139 -8.033 -1.176 1.00 0.00 ATOM 204 N LEU 89 -5.907 -7.680 -1.542 1.00 0.00 ATOM 205 CA LEU 89 -5.257 -8.222 -2.740 1.00 0.00 ATOM 206 CB LEU 89 -5.285 -7.197 -3.876 1.00 0.00 ATOM 207 CG LEU 89 -6.668 -6.773 -4.373 1.00 0.00 ATOM 208 CD1 LEU 89 -6.553 -5.632 -5.372 1.00 0.00 ATOM 209 CD2 LEU 89 -7.399 -7.953 -4.997 1.00 0.00 ATOM 210 O LEU 89 -3.079 -7.902 -1.770 1.00 0.00 ATOM 211 C LEU 89 -3.813 -8.639 -2.439 1.00 0.00 ATOM 212 N ASN 90 -3.418 -9.802 -2.959 1.00 0.00 ATOM 213 CA ASN 90 -2.106 -10.419 -2.713 1.00 0.00 ATOM 214 CB ASN 90 -2.057 -11.828 -3.305 1.00 0.00 ATOM 215 CG ASN 90 -2.940 -12.807 -2.555 1.00 0.00 ATOM 216 ND2 ASN 90 -3.295 -13.904 -3.211 1.00 0.00 ATOM 217 OD1 ASN 90 -3.296 -12.575 -1.399 1.00 0.00 ATOM 218 O ASN 90 -1.066 -8.802 -4.176 1.00 0.00 ATOM 219 C ASN 90 -0.907 -9.611 -3.254 1.00 0.00 ATOM 220 N VAL 91 0.303 -9.850 -2.692 1.00 0.00 ATOM 221 CA VAL 91 1.489 -9.063 -3.045 1.00 0.00 ATOM 222 CB VAL 91 2.695 -9.434 -2.162 1.00 0.00 ATOM 223 CG1 VAL 91 2.397 -9.136 -0.701 1.00 0.00 ATOM 224 CG2 VAL 91 3.061 -10.898 -2.347 1.00 0.00 ATOM 225 O VAL 91 1.613 -10.273 -5.087 1.00 0.00 ATOM 226 C VAL 91 1.865 -9.229 -4.497 1.00 0.00 ATOM 227 N ALA 92 2.445 -8.190 -5.083 1.00 0.00 ATOM 228 CA ALA 92 2.759 -8.260 -6.486 1.00 0.00 ATOM 229 CB ALA 92 3.084 -6.876 -7.026 1.00 0.00 ATOM 230 O ALA 92 4.869 -9.221 -5.859 1.00 0.00 ATOM 231 C ALA 92 3.932 -9.227 -6.658 1.00 0.00 ATOM 232 N LEU 93 3.851 -10.097 -7.664 1.00 0.00 ATOM 233 CA LEU 93 4.825 -11.175 -7.777 1.00 0.00 ATOM 234 CB LEU 93 4.635 -11.933 -9.092 1.00 0.00 ATOM 235 CG LEU 93 3.330 -12.720 -9.239 1.00 0.00 ATOM 236 CD1 LEU 93 3.204 -13.295 -10.641 1.00 0.00 ATOM 237 CD2 LEU 93 3.251 -13.830 -8.203 1.00 0.00 ATOM 238 O LEU 93 6.597 -9.593 -8.287 1.00 0.00 ATOM 239 C LEU 93 6.266 -10.631 -7.681 1.00 0.00 ATOM 240 N ARG 94 7.097 -11.332 -6.914 1.00 0.00 ATOM 241 CA ARG 94 8.509 -10.934 -6.716 1.00 0.00 ATOM 242 CB ARG 94 9.119 -10.451 -8.033 1.00 0.00 ATOM 243 CG ARG 94 9.125 -11.498 -9.136 1.00 0.00 ATOM 244 CD ARG 94 9.827 -10.984 -10.383 1.00 0.00 ATOM 245 NE ARG 94 9.813 -11.966 -11.463 1.00 0.00 ATOM 246 CZ ARG 94 10.280 -11.739 -12.686 1.00 0.00 ATOM 247 NH1 ARG 94 10.226 -12.694 -13.605 1.00 0.00 ATOM 248 NH2 ARG 94 10.801 -10.557 -12.987 1.00 0.00 ATOM 249 O ARG 94 9.812 -9.322 -5.509 1.00 0.00 ATOM 250 C ARG 94 8.706 -9.846 -5.664 1.00 0.00 ATOM 251 N PRO 95 7.638 -9.508 -4.939 1.00 0.00 ATOM 252 CA PRO 95 7.739 -8.557 -3.814 1.00 0.00 ATOM 253 CB PRO 95 7.336 -7.214 -4.427 1.00 0.00 ATOM 254 CG PRO 95 7.631 -7.365 -5.882 1.00 0.00 ATOM 255 CD PRO 95 7.309 -8.792 -6.227 1.00 0.00 ATOM 256 O PRO 95 5.978 -9.894 -2.848 1.00 0.00 ATOM 257 C PRO 95 6.794 -8.974 -2.684 1.00 0.00 ATOM 258 N GLU 96 6.895 -8.301 -1.535 1.00 0.00 ATOM 259 CA GLU 96 5.873 -8.435 -0.500 1.00 0.00 ATOM 260 CB GLU 96 6.520 -8.560 0.880 1.00 0.00 ATOM 261 CG GLU 96 7.368 -9.810 1.058 1.00 0.00 ATOM 262 CD GLU 96 7.967 -9.915 2.446 1.00 0.00 ATOM 263 OE1 GLU 96 7.825 -8.951 3.229 1.00 0.00 ATOM 264 OE2 GLU 96 8.578 -10.961 2.752 1.00 0.00 ATOM 265 O GLU 96 4.248 -6.938 0.497 1.00 0.00 ATOM 266 C GLU 96 4.890 -7.234 -0.519 1.00 0.00 ATOM 267 N MET 97 4.779 -6.546 -1.655 1.00 0.00 ATOM 268 CA MET 97 4.010 -5.276 -1.728 1.00 0.00 ATOM 269 CB MET 97 4.733 -4.262 -2.616 1.00 0.00 ATOM 270 CG MET 97 4.033 -2.916 -2.720 1.00 0.00 ATOM 271 SD MET 97 4.937 -1.739 -3.742 1.00 0.00 ATOM 272 CE MET 97 4.670 -2.430 -5.372 1.00 0.00 ATOM 273 O MET 97 2.372 -5.901 -3.393 1.00 0.00 ATOM 274 C MET 97 2.572 -5.462 -2.252 1.00 0.00 ATOM 275 N GLN 98 1.590 -5.136 -1.418 1.00 0.00 ATOM 276 CA GLN 98 0.176 -5.148 -1.815 1.00 0.00 ATOM 277 CB GLN 98 -0.721 -5.381 -0.597 1.00 0.00 ATOM 278 CG GLN 98 -0.546 -6.744 0.051 1.00 0.00 ATOM 279 CD GLN 98 -1.459 -6.943 1.244 1.00 0.00 ATOM 280 OE1 GLN 98 -1.944 -5.978 1.836 1.00 0.00 ATOM 281 NE2 GLN 98 -1.700 -8.200 1.600 1.00 0.00 ATOM 282 O GLN 98 -0.121 -2.774 -1.885 1.00 0.00 ATOM 283 C GLN 98 -0.191 -3.836 -2.509 1.00 0.00 ATOM 284 N LEU 99 -0.577 -3.889 -3.780 1.00 0.00 ATOM 285 CA LEU 99 -1.095 -2.693 -4.456 1.00 0.00 ATOM 286 CB LEU 99 -0.597 -2.638 -5.902 1.00 0.00 ATOM 287 CG LEU 99 -0.862 -1.335 -6.661 1.00 0.00 ATOM 288 CD1 LEU 99 0.016 -1.246 -7.899 1.00 0.00 ATOM 289 CD2 LEU 99 -2.330 -1.226 -7.044 1.00 0.00 ATOM 290 O LEU 99 -3.286 -3.594 -4.923 1.00 0.00 ATOM 291 C LEU 99 -2.622 -2.686 -4.413 1.00 0.00 ATOM 292 N GLU 100 -3.164 -1.659 -3.764 1.00 0.00 ATOM 293 CA GLU 100 -4.597 -1.485 -3.594 1.00 0.00 ATOM 294 CB GLU 100 -4.969 -1.512 -2.110 1.00 0.00 ATOM 295 CG GLU 100 -6.459 -1.391 -1.841 1.00 0.00 ATOM 296 CD GLU 100 -6.794 -1.480 -0.364 1.00 0.00 ATOM 297 OE1 GLU 100 -5.868 -1.715 0.441 1.00 0.00 ATOM 298 OE2 GLU 100 -7.980 -1.314 -0.012 1.00 0.00 ATOM 299 O GLU 100 -4.300 0.872 -4.040 1.00 0.00 ATOM 300 C GLU 100 -4.961 -0.149 -4.266 1.00 0.00 ATOM 301 N GLN 101 -5.976 -0.166 -5.123 1.00 0.00 ATOM 302 CA GLN 101 -6.433 1.054 -5.789 1.00 0.00 ATOM 303 CB GLN 101 -6.532 0.834 -7.301 1.00 0.00 ATOM 304 CG GLN 101 -6.948 2.069 -8.082 1.00 0.00 ATOM 305 CD GLN 101 -6.971 1.831 -9.579 1.00 0.00 ATOM 306 OE1 GLN 101 -6.133 1.106 -10.116 1.00 0.00 ATOM 307 NE2 GLN 101 -7.933 2.444 -10.259 1.00 0.00 ATOM 308 O GLN 101 -8.733 0.679 -5.210 1.00 0.00 ATOM 309 C GLN 101 -7.784 1.463 -5.199 1.00 0.00 ATOM 310 N VAL 102 -7.845 2.673 -4.654 1.00 0.00 ATOM 311 CA VAL 102 -9.089 3.234 -4.123 1.00 0.00 ATOM 312 CB VAL 102 -8.950 3.604 -2.635 1.00 0.00 ATOM 313 CG1 VAL 102 -10.286 4.066 -2.074 1.00 0.00 ATOM 314 CG2 VAL 102 -8.413 2.425 -1.840 1.00 0.00 ATOM 315 O VAL 102 -8.844 5.523 -4.835 1.00 0.00 ATOM 316 C VAL 102 -9.439 4.447 -4.983 1.00 0.00 ATOM 317 N GLY 103 -10.346 4.189 -5.967 1.00 0.00 ATOM 318 CA GLY 103 -10.696 5.305 -6.911 1.00 0.00 ATOM 319 O GLY 103 -8.884 4.881 -8.469 1.00 0.00 ATOM 320 C GLY 103 -9.418 5.664 -7.684 1.00 0.00 ATOM 321 N GLY 104 -9.004 6.922 -7.537 1.00 0.00 ATOM 322 CA GLY 104 -7.853 7.447 -8.272 1.00 0.00 ATOM 323 O GLY 104 -5.507 7.911 -7.920 1.00 0.00 ATOM 324 C GLY 104 -6.541 7.406 -7.477 1.00 0.00 ATOM 325 N LYS 105 -6.590 6.778 -6.305 1.00 0.00 ATOM 326 CA LYS 105 -5.451 6.748 -5.400 1.00 0.00 ATOM 327 CB LYS 105 -5.858 7.250 -4.012 1.00 0.00 ATOM 328 CG LYS 105 -6.276 8.710 -3.978 1.00 0.00 ATOM 329 CD LYS 105 -6.647 9.146 -2.570 1.00 0.00 ATOM 330 CE LYS 105 -7.113 10.593 -2.544 1.00 0.00 ATOM 331 NZ LYS 105 -7.521 11.019 -1.177 1.00 0.00 ATOM 332 O LYS 105 -5.621 4.370 -5.124 1.00 0.00 ATOM 333 C LYS 105 -4.877 5.331 -5.310 1.00 0.00 ATOM 334 N THR 106 -3.559 5.223 -5.442 1.00 0.00 ATOM 335 CA THR 106 -2.859 3.950 -5.283 1.00 0.00 ATOM 336 CB THR 106 -1.848 3.715 -6.421 1.00 0.00 ATOM 337 CG2 THR 106 -1.116 2.398 -6.220 1.00 0.00 ATOM 338 OG1 THR 106 -2.540 3.668 -7.676 1.00 0.00 ATOM 339 O THR 106 -1.303 4.758 -3.640 1.00 0.00 ATOM 340 C THR 106 -2.145 3.909 -3.941 1.00 0.00 ATOM 341 N LEU 107 -2.515 2.913 -3.150 1.00 0.00 ATOM 342 CA LEU 107 -1.857 2.562 -1.906 1.00 0.00 ATOM 343 CB LEU 107 -2.892 2.301 -0.810 1.00 0.00 ATOM 344 CG LEU 107 -2.342 1.879 0.555 1.00 0.00 ATOM 345 CD1 LEU 107 -1.532 3.005 1.179 1.00 0.00 ATOM 346 CD2 LEU 107 -3.471 1.462 1.484 1.00 0.00 ATOM 347 O LEU 107 -1.405 0.355 -2.740 1.00 0.00 ATOM 348 C LEU 107 -0.976 1.340 -2.130 1.00 0.00 ATOM 349 N LEU 108 0.264 1.429 -1.662 1.00 0.00 ATOM 350 CA LEU 108 1.216 0.323 -1.697 1.00 0.00 ATOM 351 CB LEU 108 2.469 0.720 -2.480 1.00 0.00 ATOM 352 CG LEU 108 2.249 1.214 -3.909 1.00 0.00 ATOM 353 CD1 LEU 108 3.502 1.888 -4.447 1.00 0.00 ATOM 354 CD2 LEU 108 1.834 0.067 -4.818 1.00 0.00 ATOM 355 O LEU 108 1.941 0.842 0.535 1.00 0.00 ATOM 356 C LEU 108 1.519 -0.030 -0.244 1.00 0.00 ATOM 357 N VAL 109 1.253 -1.278 0.133 1.00 0.00 ATOM 358 CA VAL 109 1.356 -1.672 1.549 1.00 0.00 ATOM 359 CB VAL 109 -0.019 -2.051 2.129 1.00 0.00 ATOM 360 CG1 VAL 109 0.119 -2.503 3.575 1.00 0.00 ATOM 361 CG2 VAL 109 -0.985 -0.881 2.023 1.00 0.00 ATOM 362 O VAL 109 2.258 -3.786 0.928 1.00 0.00 ATOM 363 C VAL 109 2.327 -2.823 1.696 1.00 0.00 ATOM 364 N VAL 110 3.240 -2.704 2.660 1.00 0.00 ATOM 365 CA VAL 110 4.170 -3.798 2.962 1.00 0.00 ATOM 366 CB VAL 110 5.345 -3.830 1.966 1.00 0.00 ATOM 367 CG1 VAL 110 6.185 -2.568 2.092 1.00 0.00 ATOM 368 CG2 VAL 110 6.199 -5.069 2.190 1.00 0.00 ATOM 369 O VAL 110 4.868 -2.722 4.968 1.00 0.00 ATOM 370 C VAL 110 4.756 -3.776 4.357 1.00 0.00 ATOM 371 N TYR 111 5.138 -4.962 4.837 1.00 0.00 ATOM 372 CA TYR 111 5.878 -5.109 6.080 1.00 0.00 ATOM 373 CB TYR 111 5.706 -6.524 6.639 1.00 0.00 ATOM 374 CG TYR 111 4.311 -6.820 7.139 1.00 0.00 ATOM 375 CD1 TYR 111 3.482 -7.699 6.454 1.00 0.00 ATOM 376 CD2 TYR 111 3.827 -6.219 8.294 1.00 0.00 ATOM 377 CE1 TYR 111 2.205 -7.976 6.904 1.00 0.00 ATOM 378 CE2 TYR 111 2.552 -6.484 8.757 1.00 0.00 ATOM 379 CZ TYR 111 1.740 -7.371 8.051 1.00 0.00 ATOM 380 OH TYR 111 0.469 -7.645 8.500 1.00 0.00 ATOM 381 O TYR 111 7.980 -5.285 4.923 1.00 0.00 ATOM 382 C TYR 111 7.360 -4.799 5.868 1.00 0.00 ATOM 383 N VAL 112 7.936 -4.003 6.760 1.00 0.00 ATOM 384 CA VAL 112 9.387 -3.795 6.754 1.00 0.00 ATOM 385 CB VAL 112 9.744 -2.305 6.901 1.00 0.00 ATOM 386 CG1 VAL 112 9.175 -1.503 5.741 1.00 0.00 ATOM 387 CG2 VAL 112 9.235 -1.763 8.229 1.00 0.00 ATOM 388 O VAL 112 9.228 -5.125 8.703 1.00 0.00 ATOM 389 C VAL 112 9.967 -4.629 7.882 1.00 0.00 ATOM 390 N PRO 113 11.287 -4.816 7.906 1.00 0.00 ATOM 391 CA PRO 113 11.910 -5.543 9.015 1.00 0.00 ATOM 392 CB PRO 113 11.084 -5.136 10.236 1.00 0.00 ATOM 393 CG PRO 113 9.739 -4.801 9.682 1.00 0.00 ATOM 394 CD PRO 113 9.985 -4.191 8.330 1.00 0.00 ATOM 395 O PRO 113 12.375 -7.747 9.847 1.00 0.00 ATOM 396 C PRO 113 11.933 -7.064 8.918 1.00 0.00 ATOM 397 N GLU 114 11.487 -7.608 7.795 1.00 0.00 ATOM 398 CA GLU 114 11.573 -9.045 7.584 1.00 0.00 ATOM 399 CB GLU 114 10.348 -9.548 6.820 1.00 0.00 ATOM 400 CG GLU 114 10.319 -11.055 6.616 1.00 0.00 ATOM 401 CD GLU 114 9.063 -11.523 5.909 1.00 0.00 ATOM 402 OE1 GLU 114 8.230 -10.665 5.548 1.00 0.00 ATOM 403 OE2 GLU 114 8.913 -12.747 5.715 1.00 0.00 ATOM 404 O GLU 114 13.907 -8.769 7.137 1.00 0.00 ATOM 405 C GLU 114 12.854 -9.347 6.838 1.00 0.00 ATOM 406 N ALA 115 12.733 -10.269 5.880 1.00 0.00 ATOM 407 CA ALA 115 13.785 -10.705 4.945 1.00 0.00 ATOM 408 CB ALA 115 13.202 -11.619 3.879 1.00 0.00 ATOM 409 O ALA 115 13.825 -8.776 3.546 1.00 0.00 ATOM 410 C ALA 115 14.475 -9.501 4.290 1.00 0.00 ATOM 411 N ASP 116 15.778 -9.313 4.552 1.00 0.00 ATOM 412 CA ASP 116 16.548 -8.151 4.044 1.00 0.00 ATOM 413 CB ASP 116 17.997 -8.214 4.531 1.00 0.00 ATOM 414 CG ASP 116 18.128 -7.918 6.012 1.00 0.00 ATOM 415 OD1 ASP 116 17.156 -7.402 6.603 1.00 0.00 ATOM 416 OD2 ASP 116 19.202 -8.204 6.582 1.00 0.00 ATOM 417 O ASP 116 16.465 -6.933 2.001 1.00 0.00 ATOM 418 C ASP 116 16.540 -8.044 2.528 1.00 0.00 ATOM 419 N VAL 117 16.576 -9.198 1.850 1.00 0.00 ATOM 420 CA VAL 117 16.542 -9.262 0.391 1.00 0.00 ATOM 421 CB VAL 117 16.735 -10.704 -0.115 1.00 0.00 ATOM 422 CG1 VAL 117 18.094 -11.239 0.308 1.00 0.00 ATOM 423 CG2 VAL 117 15.620 -11.601 0.399 1.00 0.00 ATOM 424 O VAL 117 15.279 -8.339 -1.431 1.00 0.00 ATOM 425 C VAL 117 15.262 -8.710 -0.264 1.00 0.00 ATOM 426 N THR 118 14.168 -8.629 0.488 1.00 0.00 ATOM 427 CA THR 118 12.944 -7.945 0.024 1.00 0.00 ATOM 428 CB THR 118 11.799 -8.081 1.043 1.00 0.00 ATOM 429 CG2 THR 118 11.449 -9.546 1.259 1.00 0.00 ATOM 430 OG1 THR 118 12.202 -7.519 2.298 1.00 0.00 ATOM 431 O THR 118 12.249 -5.904 -1.062 1.00 0.00 ATOM 432 C THR 118 13.057 -6.443 -0.289 1.00 0.00 ATOM 433 N HIS 119 14.032 -5.759 0.312 1.00 0.00 ATOM 434 CA HIS 119 14.137 -4.299 0.156 1.00 0.00 ATOM 435 CB HIS 119 15.299 -3.753 0.988 1.00 0.00 ATOM 436 CG HIS 119 16.642 -4.252 0.551 1.00 0.00 ATOM 437 CD2 HIS 119 17.777 -3.688 -0.166 1.00 0.00 ATOM 438 ND1 HIS 119 17.077 -5.535 0.802 1.00 0.00 ATOM 439 CE1 HIS 119 18.312 -5.686 0.291 1.00 0.00 ATOM 440 NE2 HIS 119 18.738 -4.582 -0.290 1.00 0.00 ATOM 441 O HIS 119 13.760 -2.765 -1.655 1.00 0.00 ATOM 442 C HIS 119 14.317 -3.809 -1.269 1.00 0.00 TER END