PFRMAT TS TARGET T0459 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 T0459 model 3 Tue Jun 17 13:41:25 2008 MODEL 3 PARENT N/A ATOM 2 N THR 10 -6.883 1.610 22.065 1.00 0.00 ATOM 3 CA THR 10 -6.751 2.910 21.383 1.00 0.00 ATOM 4 CB THR 10 -6.323 4.019 22.362 1.00 0.00 ATOM 5 CG2 THR 10 -7.388 4.231 23.427 1.00 0.00 ATOM 6 OG1 THR 10 -5.094 3.647 23.002 1.00 0.00 ATOM 7 O THR 10 -4.706 2.185 20.340 1.00 0.00 ATOM 8 C THR 10 -5.712 2.896 20.259 1.00 0.00 ATOM 9 N GLU 11 -5.966 3.691 19.220 1.00 0.00 ATOM 10 CA GLU 11 -5.058 3.804 18.074 1.00 0.00 ATOM 11 CB GLU 11 -5.815 4.293 16.837 1.00 0.00 ATOM 12 CG GLU 11 -6.924 3.360 16.378 1.00 0.00 ATOM 13 CD GLU 11 -7.739 3.939 15.239 1.00 0.00 ATOM 14 OE1 GLU 11 -7.465 5.090 14.837 1.00 0.00 ATOM 15 OE2 GLU 11 -8.654 3.244 14.749 1.00 0.00 ATOM 16 O GLU 11 -3.923 5.927 17.857 1.00 0.00 ATOM 17 C GLU 11 -3.920 4.793 18.348 1.00 0.00 ATOM 18 N ILE 12 -2.969 4.370 19.178 1.00 0.00 ATOM 19 CA ILE 12 -1.779 5.166 19.465 1.00 0.00 ATOM 20 CB ILE 12 -1.280 4.936 20.903 1.00 0.00 ATOM 21 CG1 ILE 12 -0.890 3.471 21.105 1.00 0.00 ATOM 22 CG2 ILE 12 -2.366 5.290 21.908 1.00 0.00 ATOM 23 CD1 ILE 12 -0.178 3.201 22.413 1.00 0.00 ATOM 24 O ILE 12 -0.858 4.448 17.358 1.00 0.00 ATOM 25 C ILE 12 -0.636 4.810 18.518 1.00 0.00 ATOM 26 N CYS 13 0.587 4.902 19.032 1.00 0.00 ATOM 27 CA CYS 13 1.785 4.598 18.259 1.00 0.00 ATOM 28 CB CYS 13 3.028 5.161 18.954 1.00 0.00 ATOM 29 SG CYS 13 3.110 6.967 18.988 1.00 0.00 ATOM 30 O CYS 13 2.564 2.617 17.154 1.00 0.00 ATOM 31 C CYS 13 1.957 3.093 18.112 1.00 0.00 ATOM 32 N ILE 14 1.427 2.339 19.069 1.00 0.00 ATOM 33 CA ILE 14 1.592 0.895 19.024 1.00 0.00 ATOM 34 CB ILE 14 1.619 0.287 20.439 1.00 0.00 ATOM 35 CG1 ILE 14 0.274 0.499 21.137 1.00 0.00 ATOM 36 CG2 ILE 14 2.707 0.939 21.278 1.00 0.00 ATOM 37 CD1 ILE 14 0.138 -0.251 22.443 1.00 0.00 ATOM 38 O ILE 14 0.368 -1.032 18.272 1.00 0.00 ATOM 39 C ILE 14 0.458 0.200 18.263 1.00 0.00 ATOM 40 N ASP 15 -0.380 0.991 17.583 1.00 0.00 ATOM 41 CA ASP 15 -1.531 0.422 16.854 1.00 0.00 ATOM 42 CB ASP 15 -2.628 1.474 16.680 1.00 0.00 ATOM 43 CG ASP 15 -3.911 0.890 16.119 1.00 0.00 ATOM 44 OD1 ASP 15 -3.841 0.171 15.100 1.00 0.00 ATOM 45 OD2 ASP 15 -4.986 1.153 16.698 1.00 0.00 ATOM 46 O ASP 15 -0.539 0.698 14.668 1.00 0.00 ATOM 47 C ASP 15 -1.114 -0.066 15.464 1.00 0.00 ATOM 48 N PRO 16 -1.378 -1.352 15.177 1.00 0.00 ATOM 49 CA PRO 16 -0.984 -1.896 13.891 1.00 0.00 ATOM 50 CB PRO 16 -1.340 -3.380 13.992 1.00 0.00 ATOM 51 CG PRO 16 -1.284 -3.679 15.453 1.00 0.00 ATOM 52 CD PRO 16 -1.807 -2.455 16.149 1.00 0.00 ATOM 53 O PRO 16 -1.148 -1.169 11.639 1.00 0.00 ATOM 54 C PRO 16 -1.711 -1.252 12.714 1.00 0.00 ATOM 55 N SER 17 -2.950 -0.822 12.925 1.00 0.00 ATOM 56 CA SER 17 -3.721 -0.166 11.886 1.00 0.00 ATOM 57 CB SER 17 -5.187 -0.034 12.307 1.00 0.00 ATOM 58 OG SER 17 -5.804 -1.305 12.409 1.00 0.00 ATOM 59 O SER 17 -2.876 1.613 10.513 1.00 0.00 ATOM 60 C SER 17 -3.130 1.220 11.655 1.00 0.00 ATOM 61 N GLU 18 -2.869 1.939 12.746 1.00 0.00 ATOM 62 CA GLU 18 -2.257 3.254 12.629 1.00 0.00 ATOM 63 CB GLU 18 -2.056 3.876 14.012 1.00 0.00 ATOM 64 CG GLU 18 -3.341 4.349 14.673 1.00 0.00 ATOM 65 CD GLU 18 -4.055 5.414 13.865 1.00 0.00 ATOM 66 OE1 GLU 18 -3.412 6.426 13.516 1.00 0.00 ATOM 67 OE2 GLU 18 -5.258 5.237 13.580 1.00 0.00 ATOM 68 O GLU 18 -0.614 3.987 11.051 1.00 0.00 ATOM 69 C GLU 18 -0.897 3.191 11.949 1.00 0.00 ATOM 70 N SER 19 -0.054 2.247 12.364 1.00 0.00 ATOM 71 CA SER 19 1.246 2.047 11.695 1.00 0.00 ATOM 72 CB SER 19 1.961 0.821 12.268 1.00 0.00 ATOM 73 OG SER 19 2.335 1.034 13.618 1.00 0.00 ATOM 74 O SER 19 1.807 2.435 9.386 1.00 0.00 ATOM 75 C SER 19 1.089 1.830 10.191 1.00 0.00 ATOM 76 N VAL 20 0.132 0.986 9.805 1.00 0.00 ATOM 77 CA VAL 20 -0.094 0.685 8.387 1.00 0.00 ATOM 78 CB VAL 20 -1.168 -0.404 8.205 1.00 0.00 ATOM 79 CG1 VAL 20 -1.526 -0.557 6.735 1.00 0.00 ATOM 80 CG2 VAL 20 -0.660 -1.743 8.717 1.00 0.00 ATOM 81 O VAL 20 -0.201 2.066 6.434 1.00 0.00 ATOM 82 C VAL 20 -0.561 1.898 7.599 1.00 0.00 ATOM 83 N LEU 21 -1.392 2.732 8.222 1.00 0.00 ATOM 84 CA LEU 21 -1.936 3.898 7.522 1.00 0.00 ATOM 85 CB LEU 21 -3.047 4.549 8.348 1.00 0.00 ATOM 86 CG LEU 21 -4.320 3.721 8.543 1.00 0.00 ATOM 87 CD1 LEU 21 -5.286 4.433 9.476 1.00 0.00 ATOM 88 CD2 LEU 21 -5.023 3.496 7.213 1.00 0.00 ATOM 89 O LEU 21 -1.041 5.748 6.288 1.00 0.00 ATOM 90 C LEU 21 -0.889 4.987 7.246 1.00 0.00 ATOM 91 N HIS 22 0.191 5.013 8.035 1.00 0.00 ATOM 92 CA HIS 22 1.382 5.822 7.711 1.00 0.00 ATOM 93 CB HIS 22 2.509 5.539 8.707 1.00 0.00 ATOM 94 CG HIS 22 3.711 6.413 8.523 1.00 0.00 ATOM 95 CD2 HIS 22 5.064 6.224 8.022 1.00 0.00 ATOM 96 ND1 HIS 22 3.717 7.750 8.856 1.00 0.00 ATOM 97 CE1 HIS 22 4.928 8.264 8.579 1.00 0.00 ATOM 98 NE2 HIS 22 5.742 7.354 8.079 1.00 0.00 ATOM 99 O HIS 22 2.405 6.407 5.604 1.00 0.00 ATOM 100 C HIS 22 1.910 5.517 6.311 1.00 0.00 ATOM 101 N LEU 23 1.793 4.248 5.911 1.00 0.00 ATOM 102 CA LEU 23 2.214 3.832 4.593 1.00 0.00 ATOM 103 CB LEU 23 2.660 2.368 4.612 1.00 0.00 ATOM 104 CG LEU 23 3.873 2.040 5.486 1.00 0.00 ATOM 105 CD1 LEU 23 4.124 0.540 5.513 1.00 0.00 ATOM 106 CD2 LEU 23 5.121 2.723 4.950 1.00 0.00 ATOM 107 O LEU 23 1.391 4.378 2.434 1.00 0.00 ATOM 108 C LEU 23 1.113 3.949 3.548 1.00 0.00 ATOM 109 N LEU 24 -0.109 3.520 3.879 1.00 0.00 ATOM 110 CA LEU 24 -1.145 3.299 2.854 1.00 0.00 ATOM 111 CB LEU 24 -2.076 2.158 3.269 1.00 0.00 ATOM 112 CG LEU 24 -1.429 0.781 3.428 1.00 0.00 ATOM 113 CD1 LEU 24 -2.442 -0.233 3.939 1.00 0.00 ATOM 114 CD2 LEU 24 -0.888 0.283 2.098 1.00 0.00 ATOM 115 O LEU 24 -2.862 4.435 1.668 1.00 0.00 ATOM 116 C LEU 24 -2.042 4.495 2.580 1.00 0.00 ATOM 117 N GLY 25 -1.857 5.571 3.346 1.00 0.00 ATOM 118 CA GLY 25 -2.713 6.768 3.293 1.00 0.00 ATOM 119 O GLY 25 -3.677 8.194 1.634 1.00 0.00 ATOM 120 C GLY 25 -2.731 7.476 1.947 1.00 0.00 ATOM 121 N LYS 26 -1.689 7.299 1.149 1.00 0.00 ATOM 122 CA LYS 26 -1.648 7.963 -0.150 1.00 0.00 ATOM 123 CB LYS 26 -0.460 7.459 -0.971 1.00 0.00 ATOM 124 CG LYS 26 0.896 7.814 -0.383 1.00 0.00 ATOM 125 CD LYS 26 2.028 7.330 -1.274 1.00 0.00 ATOM 126 CE LYS 26 3.384 7.669 -0.677 1.00 0.00 ATOM 127 NZ LYS 26 4.503 7.167 -1.520 1.00 0.00 ATOM 128 O LYS 26 -3.550 6.714 -0.939 1.00 0.00 ATOM 129 C LYS 26 -2.883 7.751 -1.018 1.00 0.00 ATOM 130 N LYS 27 -3.190 8.758 -1.833 1.00 0.00 ATOM 131 CA LYS 27 -4.138 8.647 -2.941 1.00 0.00 ATOM 132 CB LYS 27 -4.249 9.977 -3.689 1.00 0.00 ATOM 133 CG LYS 27 -4.950 11.074 -2.903 1.00 0.00 ATOM 134 CD LYS 27 -5.017 12.367 -3.700 1.00 0.00 ATOM 135 CE LYS 27 -5.715 13.464 -2.914 1.00 0.00 ATOM 136 NZ LYS 27 -5.760 14.746 -3.670 1.00 0.00 ATOM 137 O LYS 27 -4.504 6.893 -4.576 1.00 0.00 ATOM 138 C LYS 27 -3.682 7.563 -3.941 1.00 0.00 ATOM 139 N TYR 28 -2.366 7.390 -4.056 1.00 0.00 ATOM 140 CA TYR 28 -1.773 6.534 -5.097 1.00 0.00 ATOM 141 CB TYR 28 -0.691 7.296 -5.867 1.00 0.00 ATOM 142 CG TYR 28 -1.201 8.527 -6.582 1.00 0.00 ATOM 143 CD1 TYR 28 -1.019 9.792 -6.038 1.00 0.00 ATOM 144 CD2 TYR 28 -1.862 8.420 -7.798 1.00 0.00 ATOM 145 CE1 TYR 28 -1.481 10.923 -6.685 1.00 0.00 ATOM 146 CE2 TYR 28 -2.331 9.539 -8.460 1.00 0.00 ATOM 147 CZ TYR 28 -2.135 10.798 -7.891 1.00 0.00 ATOM 148 OH TYR 28 -2.596 11.921 -8.537 1.00 0.00 ATOM 149 O TYR 28 -0.868 4.361 -5.479 1.00 0.00 ATOM 150 C TYR 28 -1.090 5.244 -4.651 1.00 0.00 ATOM 151 N THR 29 -0.776 5.135 -3.361 1.00 0.00 ATOM 152 CA THR 29 0.066 4.064 -2.828 1.00 0.00 ATOM 153 CB THR 29 0.200 4.160 -1.296 1.00 0.00 ATOM 154 CG2 THR 29 1.055 3.021 -0.763 1.00 0.00 ATOM 155 OG1 THR 29 0.816 5.406 -0.945 1.00 0.00 ATOM 156 O THR 29 0.244 1.835 -3.691 1.00 0.00 ATOM 157 C THR 29 -0.466 2.669 -3.121 1.00 0.00 ATOM 158 N MET 30 -1.702 2.410 -2.704 1.00 0.00 ATOM 159 CA MET 30 -2.324 1.108 -2.897 1.00 0.00 ATOM 160 CB MET 30 -3.637 1.021 -2.118 1.00 0.00 ATOM 161 CG MET 30 -3.462 0.979 -0.608 1.00 0.00 ATOM 162 SD MET 30 -5.033 0.903 0.273 1.00 0.00 ATOM 163 CE MET 30 -5.584 -0.746 -0.156 1.00 0.00 ATOM 164 O MET 30 -2.568 -0.319 -4.789 1.00 0.00 ATOM 165 C MET 30 -2.647 0.816 -4.355 1.00 0.00 ATOM 166 N LEU 31 -3.019 1.843 -5.111 1.00 0.00 ATOM 167 CA LEU 31 -3.236 1.703 -6.557 1.00 0.00 ATOM 168 CB LEU 31 -3.643 3.045 -7.170 1.00 0.00 ATOM 169 CG LEU 31 -5.030 3.568 -6.794 1.00 0.00 ATOM 170 CD1 LEU 31 -5.233 4.981 -7.320 1.00 0.00 ATOM 171 CD2 LEU 31 -6.118 2.681 -7.383 1.00 0.00 ATOM 172 O LEU 31 -2.069 0.348 -8.179 1.00 0.00 ATOM 173 C LEU 31 -1.990 1.226 -7.310 1.00 0.00 ATOM 174 N ILE 32 -0.846 1.821 -6.978 1.00 0.00 ATOM 175 CA ILE 32 0.454 1.426 -7.531 1.00 0.00 ATOM 176 CB ILE 32 1.583 2.344 -7.028 1.00 0.00 ATOM 177 CG1 ILE 32 1.415 3.755 -7.595 1.00 0.00 ATOM 178 CG2 ILE 32 2.939 1.808 -7.465 1.00 0.00 ATOM 179 CD1 ILE 32 2.316 4.784 -6.949 1.00 0.00 ATOM 180 O ILE 32 1.285 -0.761 -8.037 1.00 0.00 ATOM 181 C ILE 32 0.862 -0.000 -7.162 1.00 0.00 ATOM 182 N ILE 33 0.750 -0.367 -5.880 1.00 0.00 ATOM 183 CA ILE 33 1.012 -1.741 -5.461 1.00 0.00 ATOM 184 CB ILE 33 0.756 -1.929 -3.954 1.00 0.00 ATOM 185 CG1 ILE 33 1.787 -1.148 -3.136 1.00 0.00 ATOM 186 CG2 ILE 33 0.855 -3.399 -3.577 1.00 0.00 ATOM 187 CD1 ILE 33 1.454 -1.056 -1.663 1.00 0.00 ATOM 188 O ILE 33 0.584 -3.759 -6.705 1.00 0.00 ATOM 189 C ILE 33 0.102 -2.738 -6.218 1.00 0.00 ATOM 190 N SER 34 -1.199 -2.416 -6.296 1.00 0.00 ATOM 191 CA SER 34 -2.202 -3.179 -7.065 1.00 0.00 ATOM 192 CB SER 34 -3.553 -2.461 -7.042 1.00 0.00 ATOM 193 OG SER 34 -4.090 -2.426 -5.731 1.00 0.00 ATOM 194 O SER 34 -2.082 -4.471 -9.113 1.00 0.00 ATOM 195 C SER 34 -1.842 -3.382 -8.547 1.00 0.00 ATOM 196 N VAL 35 -1.295 -2.337 -9.180 1.00 0.00 ATOM 197 CA VAL 35 -0.928 -2.418 -10.605 1.00 0.00 ATOM 198 CB VAL 35 -0.737 -1.018 -11.218 1.00 0.00 ATOM 199 CG1 VAL 35 -0.227 -1.129 -12.647 1.00 0.00 ATOM 200 CG2 VAL 35 -2.055 -0.259 -11.234 1.00 0.00 ATOM 201 O VAL 35 0.451 -3.916 -11.826 1.00 0.00 ATOM 202 C VAL 35 0.368 -3.174 -10.858 1.00 0.00 ATOM 203 N LEU 36 1.370 -2.998 -10.001 1.00 0.00 ATOM 204 CA LEU 36 2.600 -3.793 -10.086 1.00 0.00 ATOM 205 CB LEU 36 3.611 -3.328 -9.037 1.00 0.00 ATOM 206 CG LEU 36 4.246 -1.956 -9.267 1.00 0.00 ATOM 207 CD1 LEU 36 5.078 -1.539 -8.065 1.00 0.00 ATOM 208 CD2 LEU 36 5.154 -1.981 -10.488 1.00 0.00 ATOM 209 O LEU 36 2.599 -6.155 -10.627 1.00 0.00 ATOM 210 C LEU 36 2.247 -5.269 -9.836 1.00 0.00 ATOM 211 N GLY 37 1.526 -5.515 -8.742 1.00 0.00 ATOM 212 CA GLY 37 0.943 -6.824 -8.486 1.00 0.00 ATOM 213 O GLY 37 3.136 -7.697 -7.998 1.00 0.00 ATOM 214 C GLY 37 2.034 -7.922 -8.488 1.00 0.00 ATOM 215 N SER 40 1.758 -9.101 -9.036 1.00 0.00 ATOM 216 CA SER 40 2.777 -10.152 -9.032 1.00 0.00 ATOM 217 CB SER 40 2.127 -11.528 -8.872 1.00 0.00 ATOM 218 OG SER 40 1.252 -11.808 -9.951 1.00 0.00 ATOM 219 O SER 40 4.213 -11.214 -10.644 1.00 0.00 ATOM 220 C SER 40 3.608 -10.197 -10.323 1.00 0.00 ATOM 221 N THR 41 3.630 -9.108 -11.081 1.00 0.00 ATOM 222 CA THR 41 4.455 -9.094 -12.290 1.00 0.00 ATOM 223 CB THR 41 3.611 -8.804 -13.545 1.00 0.00 ATOM 224 CG2 THR 41 2.459 -9.791 -13.652 1.00 0.00 ATOM 225 OG1 THR 41 3.079 -7.476 -13.471 1.00 0.00 ATOM 226 O THR 41 5.756 -7.358 -11.191 1.00 0.00 ATOM 227 C THR 41 5.557 -8.015 -12.224 1.00 0.00 ATOM 228 N ARG 42 6.279 -7.882 -13.330 1.00 0.00 ATOM 229 CA ARG 42 7.325 -6.878 -13.485 1.00 0.00 ATOM 230 CB ARG 42 8.604 -7.516 -14.030 1.00 0.00 ATOM 231 CG ARG 42 9.269 -8.489 -13.069 1.00 0.00 ATOM 232 CD ARG 42 10.493 -9.135 -13.697 1.00 0.00 ATOM 233 NE ARG 42 11.180 -10.026 -12.766 1.00 0.00 ATOM 234 CZ ARG 42 12.290 -10.697 -13.054 1.00 0.00 ATOM 235 NH1 ARG 42 12.846 -11.484 -12.143 1.00 0.00 ATOM 236 NH2 ARG 42 12.844 -10.578 -14.253 1.00 0.00 ATOM 237 O ARG 42 6.227 -6.218 -15.511 1.00 0.00 ATOM 238 C ARG 42 6.771 -5.855 -14.466 1.00 0.00 ATOM 239 N GLN 43 6.881 -4.578 -14.113 1.00 0.00 ATOM 240 CA GLN 43 6.303 -3.518 -14.928 1.00 0.00 ATOM 241 CB GLN 43 5.026 -2.980 -14.279 1.00 0.00 ATOM 242 CG GLN 43 3.916 -4.009 -14.141 1.00 0.00 ATOM 243 CD GLN 43 3.307 -4.390 -15.475 1.00 0.00 ATOM 244 OE1 GLN 43 3.180 -3.554 -16.372 1.00 0.00 ATOM 245 NE2 GLN 43 2.927 -5.655 -15.614 1.00 0.00 ATOM 246 O GLN 43 7.920 -1.929 -14.119 1.00 0.00 ATOM 247 C GLN 43 7.283 -2.357 -15.089 1.00 0.00 ATOM 248 N ASN 44 7.381 -1.866 -16.323 1.00 0.00 ATOM 249 CA ASN 44 8.195 -0.707 -16.671 1.00 0.00 ATOM 250 CB ASN 44 8.410 -0.637 -18.183 1.00 0.00 ATOM 251 CG ASN 44 9.325 -1.732 -18.692 1.00 0.00 ATOM 252 ND2 ASN 44 9.208 -2.050 -19.978 1.00 0.00 ATOM 253 OD1 ASN 44 10.127 -2.285 -17.940 1.00 0.00 ATOM 254 O ASN 44 6.252 0.613 -16.197 1.00 0.00 ATOM 255 C ASN 44 7.483 0.561 -16.206 1.00 0.00 ATOM 256 N PHE 45 8.264 1.578 -15.845 1.00 0.00 ATOM 257 CA PHE 45 7.742 2.897 -15.460 1.00 0.00 ATOM 258 CB PHE 45 8.854 3.947 -15.505 1.00 0.00 ATOM 259 CG PHE 45 8.403 5.324 -15.111 1.00 0.00 ATOM 260 CD1 PHE 45 8.292 5.677 -13.777 1.00 0.00 ATOM 261 CD2 PHE 45 8.089 6.268 -16.073 1.00 0.00 ATOM 262 CE1 PHE 45 7.877 6.944 -13.414 1.00 0.00 ATOM 263 CE2 PHE 45 7.674 7.534 -15.712 1.00 0.00 ATOM 264 CZ PHE 45 7.567 7.875 -14.388 1.00 0.00 ATOM 265 O PHE 45 5.588 3.826 -15.886 1.00 0.00 ATOM 266 C PHE 45 6.630 3.395 -16.369 1.00 0.00 ATOM 267 N ASN 46 6.866 3.328 -17.679 1.00 0.00 ATOM 268 CA ASN 46 5.926 3.815 -18.683 1.00 0.00 ATOM 269 CB ASN 46 6.545 3.736 -20.081 1.00 0.00 ATOM 270 CG ASN 46 7.615 4.786 -20.304 1.00 0.00 ATOM 271 ND2 ASN 46 8.488 4.542 -21.275 1.00 0.00 ATOM 272 OD1 ASN 46 7.656 5.802 -19.611 1.00 0.00 ATOM 273 O ASN 46 3.564 3.659 -18.989 1.00 0.00 ATOM 274 C ASN 46 4.619 3.053 -18.762 1.00 0.00 ATOM 275 N ASP 47 4.697 1.730 -18.587 1.00 0.00 ATOM 276 CA ASP 47 3.506 0.881 -18.527 1.00 0.00 ATOM 277 CB ASP 47 3.904 -0.595 -18.466 1.00 0.00 ATOM 278 CG ASP 47 4.430 -1.112 -19.790 1.00 0.00 ATOM 279 OD1 ASP 47 4.261 -0.412 -20.811 1.00 0.00 ATOM 280 OD2 ASP 47 5.013 -2.217 -19.808 1.00 0.00 ATOM 281 O ASP 47 1.452 1.259 -17.323 1.00 0.00 ATOM 282 C ASP 47 2.686 1.222 -17.279 1.00 0.00 ATOM 283 N ILE 48 3.390 1.459 -16.174 1.00 0.00 ATOM 284 CA ILE 48 2.764 1.734 -14.868 1.00 0.00 ATOM 285 CB ILE 48 3.798 1.696 -13.727 1.00 0.00 ATOM 286 CG1 ILE 48 4.325 0.274 -13.533 1.00 0.00 ATOM 287 CG2 ILE 48 3.168 2.160 -12.423 1.00 0.00 ATOM 288 CD1 ILE 48 5.528 0.187 -12.618 1.00 0.00 ATOM 289 O ILE 48 1.043 3.298 -14.299 1.00 0.00 ATOM 290 C ILE 48 2.116 3.111 -14.863 1.00 0.00 ATOM 291 N ARG 49 2.777 4.063 -15.521 1.00 0.00 ATOM 292 CA ARG 49 2.258 5.417 -15.698 1.00 0.00 ATOM 293 CB ARG 49 3.259 6.277 -16.472 1.00 0.00 ATOM 294 CG ARG 49 2.816 7.717 -16.671 1.00 0.00 ATOM 295 CD ARG 49 3.903 8.542 -17.341 1.00 0.00 ATOM 296 NE ARG 49 3.478 9.919 -17.578 1.00 0.00 ATOM 297 CZ ARG 49 4.218 10.834 -18.193 1.00 0.00 ATOM 298 NH1 ARG 49 3.748 12.063 -18.365 1.00 0.00 ATOM 299 NH2 ARG 49 5.427 10.519 -18.639 1.00 0.00 ATOM 300 O ARG 49 0.002 6.103 -16.120 1.00 0.00 ATOM 301 C ARG 49 0.943 5.396 -16.477 1.00 0.00 ATOM 302 N SER 50 0.899 4.583 -17.531 1.00 0.00 ATOM 303 CA SER 50 -0.295 4.412 -18.364 1.00 0.00 ATOM 304 CB SER 50 0.050 3.660 -19.651 1.00 0.00 ATOM 305 OG SER 50 0.447 2.329 -19.372 1.00 0.00 ATOM 306 O SER 50 -2.592 3.854 -17.892 1.00 0.00 ATOM 307 C SER 50 -1.407 3.617 -17.657 1.00 0.00 ATOM 308 N SER 51 -1.014 2.693 -16.779 1.00 0.00 ATOM 309 CA SER 51 -1.950 1.843 -16.016 1.00 0.00 ATOM 310 CB SER 51 -1.192 0.729 -15.291 1.00 0.00 ATOM 311 OG SER 51 -0.349 1.257 -14.282 1.00 0.00 ATOM 312 O SER 51 -3.749 2.096 -14.431 1.00 0.00 ATOM 313 C SER 51 -2.747 2.598 -14.944 1.00 0.00 ATOM 314 N ILE 52 -2.276 3.790 -14.590 1.00 0.00 ATOM 315 CA ILE 52 -2.999 4.674 -13.673 1.00 0.00 ATOM 316 CB ILE 52 -2.231 4.867 -12.353 1.00 0.00 ATOM 317 CG1 ILE 52 -1.875 3.512 -11.739 1.00 0.00 ATOM 318 CG2 ILE 52 -3.077 5.643 -11.354 1.00 0.00 ATOM 319 CD1 ILE 52 -1.064 3.613 -10.465 1.00 0.00 ATOM 320 O ILE 52 -2.401 6.985 -14.121 1.00 0.00 ATOM 321 C ILE 52 -3.186 6.055 -14.344 1.00 0.00 ATOM 322 N PRO 53 -4.225 6.180 -15.189 1.00 0.00 ATOM 323 CA PRO 53 -4.451 7.433 -15.911 1.00 0.00 ATOM 324 CB PRO 53 -5.697 7.155 -16.754 1.00 0.00 ATOM 325 CG PRO 53 -5.707 5.673 -16.928 1.00 0.00 ATOM 326 CD PRO 53 -5.203 5.097 -15.634 1.00 0.00 ATOM 327 O PRO 53 -5.396 8.474 -13.968 1.00 0.00 ATOM 328 C PRO 53 -4.683 8.612 -14.962 1.00 0.00 ATOM 329 N GLY 54 -4.068 9.754 -15.270 1.00 0.00 ATOM 330 CA GLY 54 -4.248 10.965 -14.472 1.00 0.00 ATOM 331 O GLY 54 -3.316 12.149 -12.616 1.00 0.00 ATOM 332 C GLY 54 -3.223 11.180 -13.370 1.00 0.00 ATOM 333 N ILE 55 -2.255 10.277 -13.257 1.00 0.00 ATOM 334 CA ILE 55 -1.161 10.470 -12.309 1.00 0.00 ATOM 335 CB ILE 55 -0.605 9.123 -11.806 1.00 0.00 ATOM 336 CG1 ILE 55 -1.692 8.345 -11.061 1.00 0.00 ATOM 337 CG2 ILE 55 0.562 9.350 -10.859 1.00 0.00 ATOM 338 CD1 ILE 55 -1.304 6.917 -10.736 1.00 0.00 ATOM 339 O ILE 55 0.341 10.924 -14.140 1.00 0.00 ATOM 340 C ILE 55 -0.033 11.242 -13.007 1.00 0.00 ATOM 341 N SER 56 0.464 12.287 -12.351 1.00 0.00 ATOM 342 CA SER 56 1.543 13.083 -12.912 1.00 0.00 ATOM 343 CB SER 56 1.608 14.452 -12.232 1.00 0.00 ATOM 344 OG SER 56 1.990 14.331 -10.874 1.00 0.00 ATOM 345 O SER 56 3.015 11.507 -11.858 1.00 0.00 ATOM 346 C SER 56 2.877 12.391 -12.716 1.00 0.00 ATOM 347 N SER 57 3.848 12.814 -13.513 1.00 0.00 ATOM 348 CA SER 57 5.217 12.331 -13.441 1.00 0.00 ATOM 349 CB SER 57 6.111 13.110 -14.408 1.00 0.00 ATOM 350 OG SER 57 5.739 12.868 -15.754 1.00 0.00 ATOM 351 O SER 57 6.389 11.581 -11.482 1.00 0.00 ATOM 352 C SER 57 5.774 12.502 -12.026 1.00 0.00 ATOM 353 N THR 58 5.526 13.675 -11.436 1.00 0.00 ATOM 354 CA THR 58 5.993 14.005 -10.089 1.00 0.00 ATOM 355 CB THR 58 5.661 15.464 -9.718 1.00 0.00 ATOM 356 CG2 THR 58 6.120 15.770 -8.301 1.00 0.00 ATOM 357 OG1 THR 58 6.325 16.353 -10.624 1.00 0.00 ATOM 358 O THR 58 6.050 12.671 -8.101 1.00 0.00 ATOM 359 C THR 58 5.359 13.121 -9.011 1.00 0.00 ATOM 360 N ILE 59 4.051 12.904 -9.111 1.00 0.00 ATOM 361 CA ILE 59 3.336 12.045 -8.170 1.00 0.00 ATOM 362 CB ILE 59 1.825 12.021 -8.465 1.00 0.00 ATOM 363 CG1 ILE 59 1.203 13.389 -8.177 1.00 0.00 ATOM 364 CG2 ILE 59 1.129 10.984 -7.597 1.00 0.00 ATOM 365 CD1 ILE 59 -0.213 13.536 -8.689 1.00 0.00 ATOM 366 O ILE 59 4.080 9.991 -7.196 1.00 0.00 ATOM 367 C ILE 59 3.834 10.606 -8.236 1.00 0.00 ATOM 368 N LEU 60 4.003 10.091 -9.458 1.00 0.00 ATOM 369 CA LEU 60 4.422 8.709 -9.662 1.00 0.00 ATOM 370 CB LEU 60 4.388 8.353 -11.149 1.00 0.00 ATOM 371 CG LEU 60 4.778 6.919 -11.512 1.00 0.00 ATOM 372 CD1 LEU 60 3.836 5.923 -10.853 1.00 0.00 ATOM 373 CD2 LEU 60 4.714 6.709 -13.017 1.00 0.00 ATOM 374 O LEU 60 6.121 7.427 -8.588 1.00 0.00 ATOM 375 C LEU 60 5.835 8.479 -9.158 1.00 0.00 ATOM 376 N SER 61 6.704 9.466 -9.347 1.00 0.00 ATOM 377 CA SER 61 8.109 9.346 -8.949 1.00 0.00 ATOM 378 CB SER 61 8.942 10.460 -9.587 1.00 0.00 ATOM 379 OG SER 61 8.997 10.313 -10.996 1.00 0.00 ATOM 380 O SER 61 9.012 8.644 -6.841 1.00 0.00 ATOM 381 C SER 61 8.284 9.446 -7.435 1.00 0.00 ATOM 382 N ARG 62 7.624 10.425 -6.818 1.00 0.00 ATOM 383 CA ARG 62 7.656 10.557 -5.368 1.00 0.00 ATOM 384 CB ARG 62 6.808 11.750 -4.921 1.00 0.00 ATOM 385 CG ARG 62 7.409 13.103 -5.266 1.00 0.00 ATOM 386 CD ARG 62 6.484 14.238 -4.860 1.00 0.00 ATOM 387 NE ARG 62 7.035 15.545 -5.210 1.00 0.00 ATOM 388 CZ ARG 62 6.395 16.697 -5.032 1.00 0.00 ATOM 389 NH1 ARG 62 6.975 17.837 -5.381 1.00 0.00 ATOM 390 NH2 ARG 62 5.179 16.706 -4.506 1.00 0.00 ATOM 391 O ARG 62 7.673 8.766 -3.747 1.00 0.00 ATOM 392 C ARG 62 7.097 9.280 -4.707 1.00 0.00 ATOM 393 N ARG 63 6.006 8.766 -5.261 1.00 0.00 ATOM 394 CA ARG 63 5.343 7.586 -4.709 1.00 0.00 ATOM 395 CB ARG 63 4.016 7.331 -5.426 1.00 0.00 ATOM 396 CG ARG 63 2.994 8.442 -5.255 1.00 0.00 ATOM 397 CD ARG 63 2.555 8.570 -3.805 1.00 0.00 ATOM 398 NE ARG 63 1.489 9.555 -3.640 1.00 0.00 ATOM 399 CZ ARG 63 1.040 9.980 -2.463 1.00 0.00 ATOM 400 NH1 ARG 63 0.067 10.879 -2.411 1.00 0.00 ATOM 401 NH2 ARG 63 1.565 9.505 -1.343 1.00 0.00 ATOM 402 O ARG 63 6.408 5.585 -3.926 1.00 0.00 ATOM 403 C ARG 63 6.227 6.343 -4.872 1.00 0.00 ATOM 404 N ILE 64 6.818 6.170 -6.051 1.00 0.00 ATOM 405 CA ILE 64 7.770 5.081 -6.293 1.00 0.00 ATOM 406 CB ILE 64 8.338 5.135 -7.723 1.00 0.00 ATOM 407 CG1 ILE 64 7.242 4.823 -8.745 1.00 0.00 ATOM 408 CG2 ILE 64 9.458 4.119 -7.891 1.00 0.00 ATOM 409 CD1 ILE 64 7.641 5.112 -10.176 1.00 0.00 ATOM 410 O ILE 64 9.408 4.068 -4.856 1.00 0.00 ATOM 411 C ILE 64 8.967 5.112 -5.351 1.00 0.00 ATOM 412 N LYS 65 9.496 6.311 -5.113 1.00 0.00 ATOM 413 CA LYS 65 10.597 6.494 -4.180 1.00 0.00 ATOM 414 CB LYS 65 11.095 7.940 -4.217 1.00 0.00 ATOM 415 CG LYS 65 12.280 8.211 -3.304 1.00 0.00 ATOM 416 CD LYS 65 12.777 9.640 -3.454 1.00 0.00 ATOM 417 CE LYS 65 13.940 9.921 -2.516 1.00 0.00 ATOM 418 NZ LYS 65 14.401 11.334 -2.612 1.00 0.00 ATOM 419 O LYS 65 10.870 5.470 -2.023 1.00 0.00 ATOM 420 C LYS 65 10.167 6.178 -2.748 1.00 0.00 ATOM 421 N ASP 66 9.016 6.718 -2.349 1.00 0.00 ATOM 422 CA ASP 66 8.391 6.390 -1.062 1.00 0.00 ATOM 423 CB ASP 66 6.994 7.007 -0.972 1.00 0.00 ATOM 424 CG ASP 66 7.032 8.511 -0.783 1.00 0.00 ATOM 425 OD1 ASP 66 8.124 9.045 -0.491 1.00 0.00 ATOM 426 OD2 ASP 66 5.972 9.156 -0.924 1.00 0.00 ATOM 427 O ASP 66 8.676 4.326 0.149 1.00 0.00 ATOM 428 C ASP 66 8.243 4.860 -0.868 1.00 0.00 ATOM 429 N LEU 67 7.692 4.162 -1.862 1.00 0.00 ATOM 430 CA LEU 67 7.479 2.711 -1.773 1.00 0.00 ATOM 431 CB LEU 67 6.665 2.213 -2.969 1.00 0.00 ATOM 432 CG LEU 67 5.201 2.651 -3.021 1.00 0.00 ATOM 433 CD1 LEU 67 4.563 2.242 -4.339 1.00 0.00 ATOM 434 CD2 LEU 67 4.408 2.012 -1.891 1.00 0.00 ATOM 435 O LEU 67 8.859 0.884 -1.053 1.00 0.00 ATOM 436 C LEU 67 8.774 1.888 -1.755 1.00 0.00 ATOM 437 N ILE 68 9.771 2.317 -2.527 1.00 0.00 ATOM 438 CA ILE 68 11.114 1.746 -2.434 1.00 0.00 ATOM 439 CB ILE 68 12.082 2.415 -3.428 1.00 0.00 ATOM 440 CG1 ILE 68 11.692 2.072 -4.866 1.00 0.00 ATOM 441 CG2 ILE 68 13.506 1.939 -3.188 1.00 0.00 ATOM 442 CD1 ILE 68 12.415 2.895 -5.910 1.00 0.00 ATOM 443 O ILE 68 12.217 0.985 -0.456 1.00 0.00 ATOM 444 C ILE 68 11.687 1.927 -1.041 1.00 0.00 ATOM 445 N ASP 69 11.599 3.153 -0.532 1.00 0.00 ATOM 446 CA ASP 69 12.070 3.473 0.799 1.00 0.00 ATOM 447 CB ASP 69 11.809 4.945 1.122 1.00 0.00 ATOM 448 CG ASP 69 12.733 5.880 0.368 1.00 0.00 ATOM 449 OD1 ASP 69 13.723 5.392 -0.217 1.00 0.00 ATOM 450 OD2 ASP 69 12.468 7.101 0.362 1.00 0.00 ATOM 451 O ASP 69 12.011 2.268 2.866 1.00 0.00 ATOM 452 C ASP 69 11.388 2.647 1.866 1.00 0.00 ATOM 453 N SER 70 10.107 2.356 1.664 1.00 0.00 ATOM 454 CA SER 70 9.359 1.561 2.634 1.00 0.00 ATOM 455 CB SER 70 7.857 1.812 2.489 1.00 0.00 ATOM 456 OG SER 70 7.378 1.329 1.246 1.00 0.00 ATOM 457 O SER 70 9.120 -0.751 3.247 1.00 0.00 ATOM 458 C SER 70 9.599 0.049 2.455 1.00 0.00 ATOM 459 N GLY 71 10.374 -0.310 1.434 1.00 0.00 ATOM 460 CA GLY 71 10.737 -1.704 1.158 1.00 0.00 ATOM 461 O GLY 71 9.556 -3.758 0.773 1.00 0.00 ATOM 462 C GLY 71 9.581 -2.538 0.599 1.00 0.00 ATOM 463 N LEU 72 8.640 -1.884 -0.090 1.00 0.00 ATOM 464 CA LEU 72 7.453 -2.559 -0.655 1.00 0.00 ATOM 465 CB LEU 72 6.229 -1.646 -0.573 1.00 0.00 ATOM 466 CG LEU 72 5.791 -1.222 0.831 1.00 0.00 ATOM 467 CD1 LEU 72 4.632 -0.242 0.759 1.00 0.00 ATOM 468 CD2 LEU 72 5.346 -2.429 1.643 1.00 0.00 ATOM 469 O LEU 72 6.910 -3.888 -2.602 1.00 0.00 ATOM 470 C LEU 72 7.593 -2.962 -2.125 1.00 0.00 ATOM 471 N VAL 73 8.455 -2.244 -2.842 1.00 0.00 ATOM 472 CA VAL 73 8.735 -2.536 -4.245 1.00 0.00 ATOM 473 CB VAL 73 8.119 -1.475 -5.175 1.00 0.00 ATOM 474 CG1 VAL 73 6.604 -1.472 -5.050 1.00 0.00 ATOM 475 CG2 VAL 73 8.635 -0.089 -4.818 1.00 0.00 ATOM 476 O VAL 73 11.039 -1.974 -3.782 1.00 0.00 ATOM 477 C VAL 73 10.261 -2.568 -4.520 1.00 0.00 ATOM 478 N GLU 74 10.661 -3.301 -5.561 1.00 0.00 ATOM 479 CA GLU 74 12.041 -3.341 -6.042 1.00 0.00 ATOM 480 CB GLU 74 12.479 -4.785 -6.295 1.00 0.00 ATOM 481 CG GLU 74 12.562 -5.637 -5.039 1.00 0.00 ATOM 482 CD GLU 74 13.041 -7.047 -5.321 1.00 0.00 ATOM 483 OE1 GLU 74 13.308 -7.359 -6.501 1.00 0.00 ATOM 484 OE2 GLU 74 13.149 -7.841 -4.364 1.00 0.00 ATOM 485 O GLU 74 11.336 -2.715 -8.240 1.00 0.00 ATOM 486 C GLU 74 12.160 -2.562 -7.344 1.00 0.00 ATOM 487 N ARG 75 13.201 -1.736 -7.431 1.00 0.00 ATOM 488 CA ARG 75 13.572 -0.998 -8.641 1.00 0.00 ATOM 489 CB ARG 75 13.910 0.455 -8.299 1.00 0.00 ATOM 490 CG ARG 75 14.213 1.324 -9.508 1.00 0.00 ATOM 491 CD ARG 75 14.505 2.758 -9.101 1.00 0.00 ATOM 492 NE ARG 75 14.756 3.617 -10.256 1.00 0.00 ATOM 493 CZ ARG 75 15.205 4.864 -10.175 1.00 0.00 ATOM 494 NH1 ARG 75 15.404 5.570 -11.281 1.00 0.00 ATOM 495 NH2 ARG 75 15.456 5.404 -8.991 1.00 0.00 ATOM 496 O ARG 75 15.765 -1.976 -8.555 1.00 0.00 ATOM 497 C ARG 75 14.795 -1.680 -9.257 1.00 0.00 ATOM 498 N ARG 76 14.741 -1.932 -10.563 1.00 0.00 ATOM 499 CA ARG 76 15.873 -2.507 -11.282 1.00 0.00 ATOM 500 CB ARG 76 15.585 -3.959 -11.663 1.00 0.00 ATOM 501 CG ARG 76 16.732 -4.656 -12.374 1.00 0.00 ATOM 502 CD ARG 76 16.377 -6.092 -12.726 1.00 0.00 ATOM 503 NE ARG 76 17.480 -6.783 -13.388 1.00 0.00 ATOM 504 CZ ARG 76 17.460 -8.068 -13.726 1.00 0.00 ATOM 505 NH1 ARG 76 18.510 -8.612 -14.325 1.00 0.00 ATOM 506 NH2 ARG 76 16.391 -8.807 -13.464 1.00 0.00 ATOM 507 O ARG 76 15.298 -1.633 -13.447 1.00 0.00 ATOM 508 C ARG 76 16.148 -1.721 -12.557 1.00 0.00 ATOM 509 N SER 77 17.342 -1.140 -12.613 1.00 0.00 ATOM 510 CA SER 77 17.788 -0.350 -13.752 1.00 0.00 ATOM 511 CB SER 77 18.734 0.762 -13.295 1.00 0.00 ATOM 512 OG SER 77 18.076 1.664 -12.421 1.00 0.00 ATOM 513 O SER 77 19.259 -2.140 -14.379 1.00 0.00 ATOM 514 C SER 77 18.522 -1.221 -14.749 1.00 0.00 ATOM 515 N GLY 78 17.568 1.065 -25.638 1.00 0.00 ATOM 516 CA GLY 78 17.230 2.219 -24.808 1.00 0.00 ATOM 517 O GLY 78 16.803 0.620 -23.079 1.00 0.00 ATOM 518 C GLY 78 17.119 1.782 -23.344 1.00 0.00 ATOM 519 N GLN 79 17.370 2.700 -22.395 1.00 0.00 ATOM 520 CA GLN 79 17.367 2.300 -20.988 1.00 0.00 ATOM 521 CB GLN 79 17.996 3.393 -20.120 1.00 0.00 ATOM 522 CG GLN 79 19.458 3.666 -20.428 1.00 0.00 ATOM 523 CD GLN 79 20.339 2.453 -20.202 1.00 0.00 ATOM 524 OE1 GLN 79 20.298 1.833 -19.139 1.00 0.00 ATOM 525 NE2 GLN 79 21.141 2.110 -21.203 1.00 0.00 ATOM 526 O GLN 79 14.974 2.513 -21.015 1.00 0.00 ATOM 527 C GLN 79 15.962 2.044 -20.441 1.00 0.00 ATOM 528 N ILE 80 15.883 1.302 -19.340 1.00 0.00 ATOM 529 CA ILE 80 14.605 0.988 -18.687 1.00 0.00 ATOM 530 CB ILE 80 13.991 -0.310 -19.243 1.00 0.00 ATOM 531 CG1 ILE 80 14.980 -1.469 -19.106 1.00 0.00 ATOM 532 CG2 ILE 80 13.640 -0.147 -20.713 1.00 0.00 ATOM 533 CD1 ILE 80 14.395 -2.817 -19.465 1.00 0.00 ATOM 534 O ILE 80 15.788 0.313 -16.703 1.00 0.00 ATOM 535 C ILE 80 14.755 0.800 -17.176 1.00 0.00 ATOM 536 N THR 81 13.730 1.214 -16.429 1.00 0.00 ATOM 537 CA THR 81 13.560 0.816 -15.027 1.00 0.00 ATOM 538 CB THR 81 13.303 2.036 -14.121 1.00 0.00 ATOM 539 CG2 THR 81 13.126 1.596 -12.675 1.00 0.00 ATOM 540 OG1 THR 81 14.414 2.937 -14.200 1.00 0.00 ATOM 541 O THR 81 11.365 0.117 -15.649 1.00 0.00 ATOM 542 C THR 81 12.372 -0.121 -14.983 1.00 0.00 ATOM 543 N THR 82 12.490 -1.177 -14.190 1.00 0.00 ATOM 544 CA THR 82 11.396 -2.105 -13.961 1.00 0.00 ATOM 545 CB THR 82 11.726 -3.511 -14.496 1.00 0.00 ATOM 546 CG2 THR 82 12.022 -3.457 -15.988 1.00 0.00 ATOM 547 OG1 THR 82 12.876 -4.027 -13.815 1.00 0.00 ATOM 548 O THR 82 12.095 -2.130 -11.678 1.00 0.00 ATOM 549 C THR 82 11.145 -2.194 -12.474 1.00 0.00 ATOM 550 N TYR 83 9.871 -2.355 -12.111 1.00 0.00 ATOM 551 CA TYR 83 9.452 -2.508 -10.715 1.00 0.00 ATOM 552 CB TYR 83 8.523 -1.363 -10.307 1.00 0.00 ATOM 553 CG TYR 83 9.186 -0.004 -10.316 1.00 0.00 ATOM 554 CD1 TYR 83 9.151 0.796 -11.451 1.00 0.00 ATOM 555 CD2 TYR 83 9.843 0.475 -9.191 1.00 0.00 ATOM 556 CE1 TYR 83 9.754 2.040 -11.469 1.00 0.00 ATOM 557 CE2 TYR 83 10.452 1.717 -9.191 1.00 0.00 ATOM 558 CZ TYR 83 10.402 2.499 -10.343 1.00 0.00 ATOM 559 OH TYR 83 11.003 3.736 -10.360 1.00 0.00 ATOM 560 O TYR 83 7.959 -4.243 -11.357 1.00 0.00 ATOM 561 C TYR 83 8.715 -3.803 -10.506 1.00 0.00 ATOM 562 N ALA 84 8.955 -4.413 -9.356 1.00 0.00 ATOM 563 CA ALA 84 8.208 -5.567 -8.937 1.00 0.00 ATOM 564 CB ALA 84 8.963 -6.841 -9.284 1.00 0.00 ATOM 565 O ALA 84 8.698 -4.628 -6.772 1.00 0.00 ATOM 566 C ALA 84 8.034 -5.444 -7.433 1.00 0.00 ATOM 567 N LEU 85 7.118 -6.234 -6.882 1.00 0.00 ATOM 568 CA LEU 85 6.913 -6.201 -5.450 1.00 0.00 ATOM 569 CB LEU 85 5.537 -6.767 -5.092 1.00 0.00 ATOM 570 CG LEU 85 4.328 -6.006 -5.643 1.00 0.00 ATOM 571 CD1 LEU 85 3.035 -6.731 -5.298 1.00 0.00 ATOM 572 CD2 LEU 85 4.260 -4.607 -5.054 1.00 0.00 ATOM 573 O LEU 85 8.400 -8.075 -5.222 1.00 0.00 ATOM 574 C LEU 85 7.967 -7.027 -4.734 1.00 0.00 ATOM 575 N THR 86 8.352 -6.556 -3.559 1.00 0.00 ATOM 576 CA THR 86 9.129 -7.366 -2.639 1.00 0.00 ATOM 577 CB THR 86 9.810 -6.502 -1.562 1.00 0.00 ATOM 578 CG2 THR 86 10.699 -5.450 -2.207 1.00 0.00 ATOM 579 OG1 THR 86 8.812 -5.845 -0.771 1.00 0.00 ATOM 580 O THR 86 6.921 -8.190 -2.167 1.00 0.00 ATOM 581 C THR 86 8.137 -8.342 -1.988 1.00 0.00 ATOM 582 N GLU 87 8.648 -9.365 -1.258 1.00 0.00 ATOM 583 CA GLU 87 7.724 -10.189 -0.462 1.00 0.00 ATOM 584 CB GLU 87 8.497 -11.231 0.348 1.00 0.00 ATOM 585 CG GLU 87 9.107 -12.342 -0.491 1.00 0.00 ATOM 586 CD GLU 87 9.966 -13.286 0.328 1.00 0.00 ATOM 587 OE1 GLU 87 10.144 -13.029 1.536 1.00 0.00 ATOM 588 OE2 GLU 87 10.460 -14.281 -0.241 1.00 0.00 ATOM 589 O GLU 87 5.711 -9.747 0.763 1.00 0.00 ATOM 590 C GLU 87 6.878 -9.386 0.546 1.00 0.00 ATOM 591 N LYS 88 7.453 -8.339 1.164 1.00 0.00 ATOM 592 CA LYS 88 6.680 -7.414 2.003 1.00 0.00 ATOM 593 CB LYS 88 7.576 -6.292 2.530 1.00 0.00 ATOM 594 CG LYS 88 6.866 -5.308 3.445 1.00 0.00 ATOM 595 CD LYS 88 7.828 -4.263 3.986 1.00 0.00 ATOM 596 CE LYS 88 7.109 -3.250 4.862 1.00 0.00 ATOM 597 NZ LYS 88 8.036 -2.207 5.381 1.00 0.00 ATOM 598 O LYS 88 4.389 -6.802 1.675 1.00 0.00 ATOM 599 C LYS 88 5.528 -6.768 1.219 1.00 0.00 ATOM 600 N GLY 89 5.820 -6.181 0.057 1.00 0.00 ATOM 601 CA GLY 89 4.775 -5.676 -0.877 1.00 0.00 ATOM 602 O GLY 89 2.485 -6.248 -1.396 1.00 0.00 ATOM 603 C GLY 89 3.662 -6.643 -1.291 1.00 0.00 ATOM 604 N MET 90 4.019 -7.908 -1.543 1.00 0.00 ATOM 605 CA MET 90 3.022 -8.949 -1.878 1.00 0.00 ATOM 606 CB MET 90 3.716 -10.281 -2.174 1.00 0.00 ATOM 607 CG MET 90 4.533 -10.282 -3.457 1.00 0.00 ATOM 608 SD MET 90 3.533 -9.944 -4.918 1.00 0.00 ATOM 609 CE MET 90 2.537 -11.430 -4.997 1.00 0.00 ATOM 610 O MET 90 0.910 -9.604 -0.946 1.00 0.00 ATOM 611 C MET 90 2.036 -9.186 -0.733 1.00 0.00 ATOM 612 N ASN 91 2.467 -8.897 0.482 1.00 0.00 ATOM 613 CA ASN 91 1.622 -9.039 1.677 1.00 0.00 ATOM 614 CB ASN 91 2.477 -9.014 2.946 1.00 0.00 ATOM 615 CG ASN 91 3.310 -10.269 3.110 1.00 0.00 ATOM 616 ND2 ASN 91 4.377 -10.172 3.895 1.00 0.00 ATOM 617 OD1 ASN 91 2.997 -11.314 2.540 1.00 0.00 ATOM 618 O ASN 91 -0.291 -7.972 2.662 1.00 0.00 ATOM 619 C ASN 91 0.601 -7.927 1.795 1.00 0.00 ATOM 620 N VAL 92 0.726 -6.925 0.940 1.00 0.00 ATOM 621 CA VAL 92 -0.292 -5.883 0.848 1.00 0.00 ATOM 622 CB VAL 92 0.283 -4.582 0.256 1.00 0.00 ATOM 623 CG1 VAL 92 -0.822 -3.557 0.048 1.00 0.00 ATOM 624 CG2 VAL 92 1.323 -3.986 1.193 1.00 0.00 ATOM 625 O VAL 92 -2.546 -5.739 0.044 1.00 0.00 ATOM 626 C VAL 92 -1.470 -6.306 -0.050 1.00 0.00 ATOM 627 N ARG 93 -1.258 -7.301 -0.914 1.00 0.00 ATOM 628 CA ARG 93 -2.298 -7.755 -1.855 1.00 0.00 ATOM 629 CB ARG 93 -1.775 -8.907 -2.716 1.00 0.00 ATOM 630 CG ARG 93 -2.773 -9.413 -3.744 1.00 0.00 ATOM 631 CD ARG 93 -2.154 -10.475 -4.638 1.00 0.00 ATOM 632 NE ARG 93 -3.112 -11.004 -5.605 1.00 0.00 ATOM 633 CZ ARG 93 -2.841 -11.976 -6.471 1.00 0.00 ATOM 634 NH1 ARG 93 -3.776 -12.392 -7.315 1.00 0.00 ATOM 635 NH2 ARG 93 -1.637 -12.530 -6.490 1.00 0.00 ATOM 636 O ARG 93 -4.638 -8.031 -1.768 1.00 0.00 ATOM 637 C ARG 93 -3.593 -8.267 -1.219 1.00 0.00 ATOM 638 N ASN 94 -3.535 -9.000 -0.075 1.00 0.00 ATOM 639 CA ASN 94 -4.800 -9.342 0.605 1.00 0.00 ATOM 640 CB ASN 94 -4.526 -10.165 1.866 1.00 0.00 ATOM 641 CG ASN 94 -4.099 -11.585 1.554 1.00 0.00 ATOM 642 ND2 ASN 94 -3.456 -12.234 2.518 1.00 0.00 ATOM 643 OD1 ASN 94 -4.347 -12.092 0.460 1.00 0.00 ATOM 644 O ASN 94 -6.869 -8.210 1.058 1.00 0.00 ATOM 645 C ASN 94 -5.638 -8.125 1.055 1.00 0.00 ATOM 646 N SER 95 -4.985 -7.032 1.463 1.00 0.00 ATOM 647 CA SER 95 -5.695 -5.779 1.757 1.00 0.00 ATOM 648 CB SER 95 -4.707 -4.689 2.177 1.00 0.00 ATOM 649 OG SER 95 -4.096 -5.004 3.416 1.00 0.00 ATOM 650 O SER 95 -7.654 -5.035 0.575 1.00 0.00 ATOM 651 C SER 95 -6.454 -5.296 0.523 1.00 0.00 ATOM 652 N LEU 96 -5.719 -5.216 -0.578 1.00 0.00 ATOM 653 CA LEU 96 -6.206 -4.723 -1.831 1.00 0.00 ATOM 654 CB LEU 96 -5.078 -4.674 -2.862 1.00 0.00 ATOM 655 CG LEU 96 -3.988 -3.626 -2.628 1.00 0.00 ATOM 656 CD1 LEU 96 -2.846 -3.807 -3.616 1.00 0.00 ATOM 657 CD2 LEU 96 -4.549 -2.222 -2.800 1.00 0.00 ATOM 658 O LEU 96 -8.279 -5.078 -2.996 1.00 0.00 ATOM 659 C LEU 96 -7.328 -5.607 -2.412 1.00 0.00 ATOM 660 N MET 97 -7.220 -6.933 -2.272 1.00 0.00 ATOM 661 CA MET 97 -8.331 -7.821 -2.626 1.00 0.00 ATOM 662 CB MET 97 -7.998 -9.268 -2.258 1.00 0.00 ATOM 663 CG MET 97 -6.910 -9.893 -3.116 1.00 0.00 ATOM 664 SD MET 97 -7.357 -9.968 -4.861 1.00 0.00 ATOM 665 CE MET 97 -8.665 -11.191 -4.823 1.00 0.00 ATOM 666 O MET 97 -10.711 -7.491 -2.457 1.00 0.00 ATOM 667 C MET 97 -9.632 -7.436 -1.889 1.00 0.00 ATOM 668 N PRO 98 -9.537 -7.104 -0.607 1.00 0.00 ATOM 669 CA PRO 98 -10.737 -6.719 0.132 1.00 0.00 ATOM 670 CB PRO 98 -10.266 -6.636 1.586 1.00 0.00 ATOM 671 CG PRO 98 -9.056 -7.507 1.637 1.00 0.00 ATOM 672 CD PRO 98 -8.381 -7.363 0.302 1.00 0.00 ATOM 673 O PRO 98 -12.522 -5.165 -0.355 1.00 0.00 ATOM 674 C PRO 98 -11.295 -5.369 -0.349 1.00 0.00 ATOM 675 N LEU 99 -10.400 -4.450 -0.720 1.00 0.00 ATOM 676 CA LEU 99 -10.796 -3.148 -1.287 1.00 0.00 ATOM 677 CB LEU 99 -9.570 -2.251 -1.474 1.00 0.00 ATOM 678 CG LEU 99 -9.832 -0.850 -2.029 1.00 0.00 ATOM 679 CD1 LEU 99 -10.749 -0.066 -1.103 1.00 0.00 ATOM 680 CD2 LEU 99 -8.531 -0.076 -2.177 1.00 0.00 ATOM 681 O LEU 99 -12.449 -2.626 -2.920 1.00 0.00 ATOM 682 C LEU 99 -11.471 -3.302 -2.649 1.00 0.00 ATOM 683 N LEU 100 -10.934 -4.184 -3.493 1.00 0.00 ATOM 684 CA LEU 100 -11.504 -4.445 -4.821 1.00 0.00 ATOM 685 CB LEU 100 -10.638 -5.446 -5.588 1.00 0.00 ATOM 686 CG LEU 100 -9.263 -4.947 -6.041 1.00 0.00 ATOM 687 CD1 LEU 100 -8.444 -6.087 -6.625 1.00 0.00 ATOM 688 CD2 LEU 100 -9.405 -3.869 -7.103 1.00 0.00 ATOM 689 O LEU 100 -13.830 -4.604 -5.331 1.00 0.00 ATOM 690 C LEU 100 -12.898 -5.016 -4.647 1.00 0.00 ATOM 691 N GLN 101 -13.030 -5.945 -3.696 1.00 0.00 ATOM 692 CA GLN 101 -14.317 -6.539 -3.335 1.00 0.00 ATOM 693 CB GLN 101 -14.144 -7.529 -2.180 1.00 0.00 ATOM 694 CG GLN 101 -13.417 -8.808 -2.565 1.00 0.00 ATOM 695 CD GLN 101 -13.147 -9.705 -1.373 1.00 0.00 ATOM 696 OE1 GLN 101 -13.433 -9.340 -0.232 1.00 0.00 ATOM 697 NE2 GLN 101 -12.594 -10.883 -1.633 1.00 0.00 ATOM 698 O GLN 101 -16.489 -5.458 -3.341 1.00 0.00 ATOM 699 C GLN 101 -15.341 -5.469 -2.886 1.00 0.00 ATOM 700 N TYR 102 -14.924 -4.571 -1.995 1.00 0.00 ATOM 701 CA TYR 102 -15.787 -3.463 -1.585 1.00 0.00 ATOM 702 CB TYR 102 -15.062 -2.559 -0.587 1.00 0.00 ATOM 703 CG TYR 102 -15.906 -1.418 -0.067 1.00 0.00 ATOM 704 CD1 TYR 102 -16.889 -1.639 0.889 1.00 0.00 ATOM 705 CD2 TYR 102 -15.717 -0.122 -0.533 1.00 0.00 ATOM 706 CE1 TYR 102 -17.666 -0.602 1.371 1.00 0.00 ATOM 707 CE2 TYR 102 -16.484 0.925 -0.063 1.00 0.00 ATOM 708 CZ TYR 102 -17.464 0.676 0.897 1.00 0.00 ATOM 709 OH TYR 102 -18.237 1.710 1.375 1.00 0.00 ATOM 710 O TYR 102 -17.359 -2.223 -2.909 1.00 0.00 ATOM 711 C TYR 102 -16.201 -2.602 -2.792 1.00 0.00 TER END