PFRMAT TS TARGET T0437 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 T0437 model 2 Fri Jun 6 13:24:03 2008 MODEL 2 PARENT N/A ATOM 2 N GLY 18 8.633 -15.114 -4.333 1.00 0.00 ATOM 3 CA GLY 18 7.566 -16.036 -4.664 1.00 0.00 ATOM 4 O GLY 18 5.263 -15.410 -4.536 1.00 0.00 ATOM 5 C GLY 18 6.320 -15.337 -5.159 1.00 0.00 ATOM 6 N THR 19 6.464 -14.642 -6.266 1.00 0.00 ATOM 7 CA THR 19 5.338 -14.006 -6.935 1.00 0.00 ATOM 8 CB THR 19 5.477 -12.471 -6.940 1.00 0.00 ATOM 9 CG2 THR 19 5.595 -11.944 -5.518 1.00 0.00 ATOM 10 OG1 THR 19 6.651 -12.098 -7.672 1.00 0.00 ATOM 11 O THR 19 6.235 -15.007 -8.917 1.00 0.00 ATOM 12 C THR 19 5.261 -14.482 -8.378 1.00 0.00 ATOM 13 N VAL 20 4.107 -14.298 -9.000 1.00 0.00 ATOM 14 CA VAL 20 3.951 -14.610 -10.412 1.00 0.00 ATOM 15 CB VAL 20 2.466 -14.746 -10.799 1.00 0.00 ATOM 16 CG1 VAL 20 2.326 -14.987 -12.293 1.00 0.00 ATOM 17 CG2 VAL 20 1.828 -15.915 -10.062 1.00 0.00 ATOM 18 O VAL 20 5.581 -13.688 -11.918 1.00 0.00 ATOM 19 C VAL 20 4.570 -13.492 -11.243 1.00 0.00 ATOM 20 N ILE 21 3.964 -12.316 -11.171 1.00 0.00 ATOM 21 CA ILE 21 4.519 -11.128 -11.796 1.00 0.00 ATOM 22 CB ILE 21 3.412 -10.167 -12.264 1.00 0.00 ATOM 23 CG1 ILE 21 2.532 -10.839 -13.321 1.00 0.00 ATOM 24 CG2 ILE 21 4.018 -8.911 -12.871 1.00 0.00 ATOM 25 CD1 ILE 21 1.285 -10.056 -13.665 1.00 0.00 ATOM 26 O ILE 21 5.047 -10.216 -9.629 1.00 0.00 ATOM 27 C ILE 21 5.406 -10.389 -10.800 1.00 0.00 ATOM 28 N ASP 22 6.573 -9.984 -11.262 1.00 0.00 ATOM 29 CA ASP 22 7.536 -9.287 -10.439 1.00 0.00 ATOM 30 CB ASP 22 8.947 -9.816 -10.700 1.00 0.00 ATOM 31 CG ASP 22 9.398 -9.594 -12.130 1.00 0.00 ATOM 32 OD1 ASP 22 8.666 -8.921 -12.886 1.00 0.00 ATOM 33 OD2 ASP 22 10.484 -10.091 -12.495 1.00 0.00 ATOM 34 O ASP 22 6.543 -7.305 -11.343 1.00 0.00 ATOM 35 C ASP 22 7.506 -7.799 -10.757 1.00 0.00 ATOM 36 N ASN 23 8.539 -7.082 -10.339 1.00 0.00 ATOM 37 CA ASN 23 8.685 -5.682 -10.693 1.00 0.00 ATOM 38 CB ASN 23 9.941 -5.095 -10.048 1.00 0.00 ATOM 39 CG ASN 23 9.797 -4.914 -8.549 1.00 0.00 ATOM 40 ND2 ASN 23 10.918 -4.705 -7.869 1.00 0.00 ATOM 41 OD1 ASN 23 8.690 -4.962 -8.012 1.00 0.00 ATOM 42 O ASN 23 9.091 -6.491 -12.919 1.00 0.00 ATOM 43 C ASN 23 8.799 -5.528 -12.204 1.00 0.00 ATOM 44 N ASP 24 8.607 -4.316 -12.682 1.00 0.00 ATOM 45 CA ASP 24 8.619 -4.080 -14.105 1.00 0.00 ATOM 46 CB ASP 24 7.389 -4.708 -14.762 1.00 0.00 ATOM 47 CG ASP 24 7.597 -4.989 -16.238 1.00 0.00 ATOM 48 OD1 ASP 24 8.596 -4.497 -16.802 1.00 0.00 ATOM 49 OD2 ASP 24 6.759 -5.703 -16.830 1.00 0.00 ATOM 50 O ASP 24 8.790 -1.766 -13.551 1.00 0.00 ATOM 51 C ASP 24 8.611 -2.608 -14.433 1.00 0.00 ATOM 52 N ASN 25 8.392 -2.301 -15.696 1.00 0.00 ATOM 53 CA ASN 25 8.414 -0.923 -16.166 1.00 0.00 ATOM 54 CB ASN 25 8.951 -0.853 -17.597 1.00 0.00 ATOM 55 CG ASN 25 10.409 -1.257 -17.693 1.00 0.00 ATOM 56 ND2 ASN 25 10.818 -1.720 -18.867 1.00 0.00 ATOM 57 OD1 ASN 25 11.158 -1.151 -16.719 1.00 0.00 ATOM 58 O ASN 25 6.819 0.862 -16.022 1.00 0.00 ATOM 59 C ASN 25 7.008 -0.347 -16.144 1.00 0.00 ATOM 60 N CYS 26 6.033 -1.226 -16.276 1.00 0.00 ATOM 61 CA CYS 26 4.626 -0.846 -16.251 1.00 0.00 ATOM 62 CB CYS 26 3.949 -1.208 -17.575 1.00 0.00 ATOM 63 SG CYS 26 3.961 -2.974 -17.961 1.00 0.00 ATOM 64 O CYS 26 2.662 -1.628 -15.115 1.00 0.00 ATOM 65 C CYS 26 3.890 -1.565 -15.127 1.00 0.00 ATOM 66 N THR 27 4.651 -2.091 -14.178 1.00 0.00 ATOM 67 CA THR 27 4.082 -2.820 -13.050 1.00 0.00 ATOM 68 CB THR 27 4.845 -4.131 -12.782 1.00 0.00 ATOM 69 CG2 THR 27 4.245 -4.863 -11.591 1.00 0.00 ATOM 70 OG1 THR 27 4.766 -4.977 -13.935 1.00 0.00 ATOM 71 O THR 27 5.214 -1.491 -11.409 1.00 0.00 ATOM 72 C THR 27 4.144 -1.973 -11.783 1.00 0.00 ATOM 73 N SER 28 3.004 -1.782 -11.134 1.00 0.00 ATOM 74 CA SER 28 2.955 -1.042 -9.879 1.00 0.00 ATOM 75 CB SER 28 2.351 0.346 -10.100 1.00 0.00 ATOM 76 OG SER 28 2.288 1.074 -8.884 1.00 0.00 ATOM 77 O SER 28 0.950 -2.120 -9.129 1.00 0.00 ATOM 78 C SER 28 2.101 -1.778 -8.855 1.00 0.00 ATOM 79 N LYS 29 2.669 -2.039 -7.683 1.00 0.00 ATOM 80 CA LYS 29 1.940 -2.723 -6.629 1.00 0.00 ATOM 81 CB LYS 29 2.781 -3.864 -6.048 1.00 0.00 ATOM 82 CG LYS 29 4.035 -3.402 -5.325 1.00 0.00 ATOM 83 CD LYS 29 4.915 -4.582 -4.939 1.00 0.00 ATOM 84 CE LYS 29 6.202 -4.117 -4.278 1.00 0.00 ATOM 85 NZ LYS 29 5.971 -3.640 -2.886 1.00 0.00 ATOM 86 O LYS 29 2.321 -0.854 -5.171 1.00 0.00 ATOM 87 C LYS 29 1.585 -1.788 -5.489 1.00 0.00 ATOM 88 N PHE 30 0.432 -2.045 -4.896 1.00 0.00 ATOM 89 CA PHE 30 -0.016 -1.313 -3.730 1.00 0.00 ATOM 90 CB PHE 30 -1.419 -0.747 -3.960 1.00 0.00 ATOM 91 CG PHE 30 -1.972 0.002 -2.780 1.00 0.00 ATOM 92 CD1 PHE 30 -1.540 1.285 -2.492 1.00 0.00 ATOM 93 CD2 PHE 30 -2.922 -0.578 -1.958 1.00 0.00 ATOM 94 CE1 PHE 30 -2.049 1.972 -1.406 1.00 0.00 ATOM 95 CE2 PHE 30 -3.431 0.110 -0.873 1.00 0.00 ATOM 96 CZ PHE 30 -2.999 1.379 -0.595 1.00 0.00 ATOM 97 O PHE 30 -0.513 -3.387 -2.635 1.00 0.00 ATOM 98 C PHE 30 -0.047 -2.248 -2.538 1.00 0.00 ATOM 99 N SER 31 0.469 -1.770 -1.429 1.00 0.00 ATOM 100 CA SER 31 0.546 -2.555 -0.218 1.00 0.00 ATOM 101 CB SER 31 1.966 -2.522 0.353 1.00 0.00 ATOM 102 OG SER 31 2.041 -3.240 1.572 1.00 0.00 ATOM 103 O SER 31 -0.221 -0.893 1.340 1.00 0.00 ATOM 104 C SER 31 -0.416 -1.995 0.824 1.00 0.00 ATOM 105 N ARG 32 -1.471 -2.746 1.112 1.00 0.00 ATOM 106 CA ARG 32 -2.523 -2.274 1.999 1.00 0.00 ATOM 107 CB ARG 32 -3.900 -2.550 1.391 1.00 0.00 ATOM 108 CG ARG 32 -5.058 -1.972 2.188 1.00 0.00 ATOM 109 CD ARG 32 -5.079 -0.454 2.109 1.00 0.00 ATOM 110 NE ARG 32 -6.288 0.107 2.708 1.00 0.00 ATOM 111 CZ ARG 32 -6.542 1.408 2.795 1.00 0.00 ATOM 112 NH1 ARG 32 -7.668 1.829 3.356 1.00 0.00 ATOM 113 NH2 ARG 32 -5.671 2.288 2.320 1.00 0.00 ATOM 114 O ARG 32 -2.080 -4.160 3.417 1.00 0.00 ATOM 115 C ARG 32 -2.441 -2.983 3.350 1.00 0.00 ATOM 116 N PHE 33 -2.766 -2.257 4.419 1.00 0.00 ATOM 117 CA PHE 33 -2.754 -2.808 5.769 1.00 0.00 ATOM 118 CB PHE 33 -1.685 -2.117 6.619 1.00 0.00 ATOM 119 CG PHE 33 -1.629 -2.607 8.038 1.00 0.00 ATOM 120 CD1 PHE 33 -0.993 -3.795 8.349 1.00 0.00 ATOM 121 CD2 PHE 33 -2.213 -1.880 9.060 1.00 0.00 ATOM 122 CE1 PHE 33 -0.941 -4.248 9.655 1.00 0.00 ATOM 123 CE2 PHE 33 -2.161 -2.331 10.366 1.00 0.00 ATOM 124 CZ PHE 33 -1.529 -3.510 10.664 1.00 0.00 ATOM 125 O PHE 33 -4.699 -1.520 6.323 1.00 0.00 ATOM 126 C PHE 33 -4.114 -2.600 6.430 1.00 0.00 ATOM 127 N PHE 34 -4.598 -3.627 7.116 1.00 0.00 ATOM 128 CA PHE 34 -5.878 -3.561 7.819 1.00 0.00 ATOM 129 CB PHE 34 -7.037 -3.526 6.820 1.00 0.00 ATOM 130 CG PHE 34 -7.086 -4.717 5.906 1.00 0.00 ATOM 131 CD1 PHE 34 -7.782 -5.858 6.268 1.00 0.00 ATOM 132 CD2 PHE 34 -6.436 -4.698 4.684 1.00 0.00 ATOM 133 CE1 PHE 34 -7.825 -6.953 5.428 1.00 0.00 ATOM 134 CE2 PHE 34 -6.480 -5.793 3.844 1.00 0.00 ATOM 135 CZ PHE 34 -7.171 -6.919 4.210 1.00 0.00 ATOM 136 O PHE 34 -5.300 -5.740 8.625 1.00 0.00 ATOM 137 C PHE 34 -6.058 -4.776 8.721 1.00 0.00 ATOM 138 N ALA 35 -7.056 -4.715 9.597 1.00 0.00 ATOM 139 CA ALA 35 -7.361 -5.809 10.515 1.00 0.00 ATOM 140 CB ALA 35 -8.555 -5.451 11.388 1.00 0.00 ATOM 141 O ALA 35 -7.230 -8.178 10.150 1.00 0.00 ATOM 142 C ALA 35 -7.701 -7.104 9.778 1.00 0.00 ATOM 143 N THR 36 -8.528 -7.003 8.751 1.00 0.00 ATOM 144 CA THR 36 -9.031 -8.180 8.064 1.00 0.00 ATOM 145 CB THR 36 -10.557 -8.314 8.217 1.00 0.00 ATOM 146 CG2 THR 36 -10.941 -8.375 9.687 1.00 0.00 ATOM 147 OG1 THR 36 -11.202 -7.185 7.615 1.00 0.00 ATOM 148 O THR 36 -8.547 -7.067 5.987 1.00 0.00 ATOM 149 C THR 36 -8.732 -8.139 6.570 1.00 0.00 ATOM 150 N ARG 37 -8.705 -9.317 5.964 1.00 0.00 ATOM 151 CA ARG 37 -8.537 -9.447 4.526 1.00 0.00 ATOM 152 CB ARG 37 -8.416 -10.921 4.131 1.00 0.00 ATOM 153 CG ARG 37 -8.157 -11.149 2.651 1.00 0.00 ATOM 154 CD ARG 37 -8.054 -12.631 2.329 1.00 0.00 ATOM 155 NE ARG 37 -9.323 -13.325 2.537 1.00 0.00 ATOM 156 CZ ARG 37 -10.347 -13.279 1.692 1.00 0.00 ATOM 157 NH1 ARG 37 -11.462 -13.943 1.963 1.00 0.00 ATOM 158 NH2 ARG 37 -10.254 -12.568 0.576 1.00 0.00 ATOM 159 O ARG 37 -9.613 -8.224 2.775 1.00 0.00 ATOM 160 C ARG 37 -9.739 -8.843 3.824 1.00 0.00 ATOM 161 N GLU 38 -10.902 -9.031 4.434 1.00 0.00 ATOM 162 CA GLU 38 -12.158 -8.470 3.935 1.00 0.00 ATOM 163 CB GLU 38 -13.288 -8.705 4.940 1.00 0.00 ATOM 164 CG GLU 38 -14.639 -8.176 4.490 1.00 0.00 ATOM 165 CD GLU 38 -15.740 -8.462 5.494 1.00 0.00 ATOM 166 OE1 GLU 38 -15.450 -9.104 6.525 1.00 0.00 ATOM 167 OE2 GLU 38 -16.891 -8.046 5.248 1.00 0.00 ATOM 168 O GLU 38 -12.443 -6.452 2.652 1.00 0.00 ATOM 169 C GLU 38 -12.041 -6.966 3.699 1.00 0.00 ATOM 170 N GLU 39 -11.475 -6.264 4.674 1.00 0.00 ATOM 171 CA GLU 39 -11.266 -4.827 4.557 1.00 0.00 ATOM 172 CB GLU 39 -10.723 -4.256 5.867 1.00 0.00 ATOM 173 CG GLU 39 -11.730 -4.248 7.005 1.00 0.00 ATOM 174 CD GLU 39 -11.124 -3.791 8.319 1.00 0.00 ATOM 175 OE1 GLU 39 -9.898 -3.550 8.353 1.00 0.00 ATOM 176 OE2 GLU 39 -11.873 -3.676 9.310 1.00 0.00 ATOM 177 O GLU 39 -10.483 -3.625 2.631 1.00 0.00 ATOM 178 C GLU 39 -10.265 -4.523 3.447 1.00 0.00 ATOM 179 N ALA 40 -9.184 -5.295 3.416 1.00 0.00 ATOM 180 CA ALA 40 -8.172 -5.176 2.379 1.00 0.00 ATOM 181 CB ALA 40 -7.092 -6.231 2.568 1.00 0.00 ATOM 182 O ALA 40 -8.530 -4.589 0.081 1.00 0.00 ATOM 183 C ALA 40 -8.791 -5.364 0.997 1.00 0.00 ATOM 184 N GLU 41 -9.614 -6.395 0.862 1.00 0.00 ATOM 185 CA GLU 41 -10.278 -6.706 -0.389 1.00 0.00 ATOM 186 CB GLU 41 -11.091 -7.995 -0.258 1.00 0.00 ATOM 187 CG GLU 41 -11.773 -8.432 -1.544 1.00 0.00 ATOM 188 CD GLU 41 -12.521 -9.742 -1.392 1.00 0.00 ATOM 189 OE1 GLU 41 -12.491 -10.317 -0.283 1.00 0.00 ATOM 190 OE2 GLU 41 -13.138 -10.193 -2.379 1.00 0.00 ATOM 191 O GLU 41 -11.333 -5.282 -1.992 1.00 0.00 ATOM 192 C GLU 41 -11.225 -5.594 -0.807 1.00 0.00 ATOM 193 N SER 42 -11.905 -4.994 0.164 1.00 0.00 ATOM 194 CA SER 42 -12.842 -3.915 -0.109 1.00 0.00 ATOM 195 CB SER 42 -13.517 -3.451 1.183 1.00 0.00 ATOM 196 OG SER 42 -14.341 -4.470 1.722 1.00 0.00 ATOM 197 O SER 42 -12.605 -2.118 -1.693 1.00 0.00 ATOM 198 C SER 42 -12.123 -2.718 -0.730 1.00 0.00 ATOM 199 N PHE 43 -10.972 -2.382 -0.174 1.00 0.00 ATOM 200 CA PHE 43 -10.151 -1.309 -0.683 1.00 0.00 ATOM 201 CB PHE 43 -9.058 -0.945 0.325 1.00 0.00 ATOM 202 CG PHE 43 -9.552 -0.128 1.485 1.00 0.00 ATOM 203 CD1 PHE 43 -9.798 -0.718 2.712 1.00 0.00 ATOM 204 CD2 PHE 43 -9.772 1.232 1.348 1.00 0.00 ATOM 205 CE1 PHE 43 -10.252 0.033 3.779 1.00 0.00 ATOM 206 CE2 PHE 43 -10.226 1.983 2.415 1.00 0.00 ATOM 207 CZ PHE 43 -10.466 1.390 3.627 1.00 0.00 ATOM 208 O PHE 43 -9.452 -0.944 -2.950 1.00 0.00 ATOM 209 C PHE 43 -9.480 -1.714 -1.988 1.00 0.00 ATOM 210 N MET 44 -8.957 -2.934 -2.020 1.00 0.00 ATOM 211 CA MET 44 -8.279 -3.455 -3.201 1.00 0.00 ATOM 212 CB MET 44 -7.836 -4.901 -2.970 1.00 0.00 ATOM 213 CG MET 44 -7.098 -5.519 -4.146 1.00 0.00 ATOM 214 SD MET 44 -6.606 -7.226 -3.840 1.00 0.00 ATOM 215 CE MET 44 -8.187 -8.060 -3.954 1.00 0.00 ATOM 216 O MET 44 -8.789 -3.068 -5.508 1.00 0.00 ATOM 217 C MET 44 -9.202 -3.427 -4.408 1.00 0.00 ATOM 218 N THR 45 -10.452 -3.809 -4.186 1.00 0.00 ATOM 219 CA THR 45 -11.464 -3.812 -5.243 1.00 0.00 ATOM 220 CB THR 45 -12.846 -4.220 -4.698 1.00 0.00 ATOM 221 CG2 THR 45 -13.889 -4.177 -5.806 1.00 0.00 ATOM 222 OG1 THR 45 -12.782 -5.552 -4.173 1.00 0.00 ATOM 223 O THR 45 -11.882 -2.304 -7.063 1.00 0.00 ATOM 224 C THR 45 -11.607 -2.432 -5.870 1.00 0.00 ATOM 225 N LYS 46 -11.417 -1.399 -5.063 1.00 0.00 ATOM 226 CA LYS 46 -11.495 -0.034 -5.535 1.00 0.00 ATOM 227 CB LYS 46 -11.634 0.932 -4.358 1.00 0.00 ATOM 228 CG LYS 46 -12.962 0.831 -3.625 1.00 0.00 ATOM 229 CD LYS 46 -13.041 1.832 -2.484 1.00 0.00 ATOM 230 CE LYS 46 -14.370 1.731 -1.752 1.00 0.00 ATOM 231 NZ LYS 46 -14.468 2.718 -0.641 1.00 0.00 ATOM 232 O LYS 46 -10.301 1.179 -7.229 1.00 0.00 ATOM 233 C LYS 46 -10.241 0.352 -6.318 1.00 0.00 ATOM 234 N LEU 47 -9.113 -0.262 -5.978 1.00 0.00 ATOM 235 CA LEU 47 -7.887 -0.076 -6.748 1.00 0.00 ATOM 236 CB LEU 47 -6.688 -0.650 -5.991 1.00 0.00 ATOM 237 CG LEU 47 -6.269 0.093 -4.721 1.00 0.00 ATOM 238 CD1 LEU 47 -5.190 -0.678 -3.976 1.00 0.00 ATOM 239 CD2 LEU 47 -5.723 1.472 -5.058 1.00 0.00 ATOM 240 O LEU 47 -7.600 -0.256 -9.122 1.00 0.00 ATOM 241 C LEU 47 -8.003 -0.788 -8.090 1.00 0.00 ATOM 242 N LYS 48 -8.566 -1.993 -8.068 1.00 0.00 ATOM 243 CA LYS 48 -8.823 -2.743 -9.293 1.00 0.00 ATOM 244 CB LYS 48 -9.438 -4.105 -8.968 1.00 0.00 ATOM 245 CG LYS 48 -8.474 -5.080 -8.311 1.00 0.00 ATOM 246 CD LYS 48 -9.149 -6.411 -8.019 1.00 0.00 ATOM 247 CE LYS 48 -8.191 -7.377 -7.340 1.00 0.00 ATOM 248 NZ LYS 48 -8.848 -8.673 -7.017 1.00 0.00 ATOM 249 O LYS 48 -9.656 -1.936 -11.409 1.00 0.00 ATOM 250 C LYS 48 -9.792 -1.968 -10.185 1.00 0.00 ATOM 251 N GLU 49 -10.761 -1.327 -9.545 1.00 0.00 ATOM 252 CA GLU 49 -11.735 -0.504 -10.214 1.00 0.00 ATOM 253 CB GLU 49 -12.745 0.054 -9.210 1.00 0.00 ATOM 254 CG GLU 49 -13.840 0.902 -9.838 1.00 0.00 ATOM 255 CD GLU 49 -14.840 1.409 -8.817 1.00 0.00 ATOM 256 OE1 GLU 49 -14.684 1.087 -7.621 1.00 0.00 ATOM 257 OE2 GLU 49 -15.781 2.128 -9.215 1.00 0.00 ATOM 258 O GLU 49 -11.336 0.954 -12.081 1.00 0.00 ATOM 259 C GLU 49 -11.055 0.667 -10.915 1.00 0.00 ATOM 260 N LEU 50 -10.152 1.324 -10.199 1.00 0.00 ATOM 261 CA LEU 50 -9.370 2.416 -10.755 1.00 0.00 ATOM 262 CB LEU 50 -8.472 3.032 -9.680 1.00 0.00 ATOM 263 CG LEU 50 -7.600 4.211 -10.119 1.00 0.00 ATOM 264 CD1 LEU 50 -8.463 5.368 -10.597 1.00 0.00 ATOM 265 CD2 LEU 50 -6.740 4.702 -8.966 1.00 0.00 ATOM 266 O LEU 50 -8.316 2.564 -12.913 1.00 0.00 ATOM 267 C LEU 50 -8.492 1.899 -11.893 1.00 0.00 ATOM 268 N ALA 51 -7.977 0.688 -11.723 1.00 0.00 ATOM 269 CA ALA 51 -7.075 0.093 -12.702 1.00 0.00 ATOM 270 CB ALA 51 -6.542 -1.237 -12.193 1.00 0.00 ATOM 271 O ALA 51 -7.282 0.187 -15.087 1.00 0.00 ATOM 272 C ALA 51 -7.793 -0.152 -14.020 1.00 0.00 ATOM 273 N ALA 52 -8.990 -0.717 -13.939 1.00 0.00 ATOM 274 CA ALA 52 -9.803 -0.983 -15.118 1.00 0.00 ATOM 275 CB ALA 52 -11.056 -1.756 -14.734 1.00 0.00 ATOM 276 O ALA 52 -10.523 0.334 -16.991 1.00 0.00 ATOM 277 C ALA 52 -10.234 0.313 -15.795 1.00 0.00 ATOM 278 N ALA 53 -10.272 1.392 -15.024 1.00 0.00 ATOM 279 CA ALA 53 -10.632 2.701 -15.551 1.00 0.00 ATOM 280 CB ALA 53 -10.934 3.666 -14.414 1.00 0.00 ATOM 281 O ALA 53 -9.701 4.038 -17.327 1.00 0.00 ATOM 282 C ALA 53 -9.482 3.273 -16.385 1.00 0.00 ATOM 283 N ALA 54 -8.259 2.893 -16.034 1.00 0.00 ATOM 284 CA ALA 54 -7.080 3.344 -16.760 1.00 0.00 ATOM 285 CB ALA 54 -5.885 3.439 -15.824 1.00 0.00 ATOM 286 O ALA 54 -6.478 2.771 -19.020 1.00 0.00 ATOM 287 C ALA 54 -6.739 2.369 -17.884 1.00 0.00 ATOM 288 N SER 55 -6.766 1.085 -17.566 1.00 0.00 ATOM 289 CA SER 55 -6.405 0.057 -18.521 1.00 0.00 ATOM 290 CB SER 55 -4.922 -0.295 -18.392 1.00 0.00 ATOM 291 OG SER 55 -4.557 -1.308 -19.313 1.00 0.00 ATOM 292 O SER 55 -7.038 -1.894 -17.277 1.00 0.00 ATOM 293 C SER 55 -7.225 -1.203 -18.277 1.00 0.00 ATOM 294 N SER 56 -8.150 -1.488 -19.184 1.00 0.00 ATOM 295 CA SER 56 -8.964 -2.695 -19.095 1.00 0.00 ATOM 296 CB SER 56 -10.022 -2.712 -20.199 1.00 0.00 ATOM 297 OG SER 56 -9.421 -2.810 -21.480 1.00 0.00 ATOM 298 O SER 56 -8.409 -4.999 -18.679 1.00 0.00 ATOM 299 C SER 56 -8.101 -3.946 -19.241 1.00 0.00 ATOM 300 N ALA 57 -7.001 -3.810 -19.977 1.00 0.00 ATOM 301 CA ALA 57 -6.104 -4.929 -20.205 1.00 0.00 ATOM 302 CB ALA 57 -5.398 -4.777 -21.544 1.00 0.00 ATOM 303 O ALA 57 -3.957 -5.598 -19.380 1.00 0.00 ATOM 304 C ALA 57 -5.035 -5.044 -19.138 1.00 0.00 ATOM 305 N ASP 58 -5.318 -4.509 -17.958 1.00 0.00 ATOM 306 CA ASP 58 -4.397 -4.601 -16.840 1.00 0.00 ATOM 307 CB ASP 58 -4.852 -3.695 -15.694 1.00 0.00 ATOM 308 CG ASP 58 -3.828 -3.605 -14.580 1.00 0.00 ATOM 309 OD1 ASP 58 -3.672 -4.595 -13.834 1.00 0.00 ATOM 310 OD2 ASP 58 -3.181 -2.544 -14.453 1.00 0.00 ATOM 311 O ASP 58 -5.343 -6.738 -16.246 1.00 0.00 ATOM 312 C ASP 58 -4.326 -6.041 -16.318 1.00 0.00 ATOM 313 N GLU 59 -3.121 -6.492 -15.998 1.00 0.00 ATOM 314 CA GLU 59 -2.926 -7.800 -15.384 1.00 0.00 ATOM 315 CB GLU 59 -1.926 -8.628 -16.196 1.00 0.00 ATOM 316 CG GLU 59 -2.417 -9.004 -17.586 1.00 0.00 ATOM 317 CD GLU 59 -1.421 -9.859 -18.344 1.00 0.00 ATOM 318 OE1 GLU 59 -0.347 -10.159 -17.780 1.00 0.00 ATOM 319 OE2 GLU 59 -1.714 -10.231 -19.498 1.00 0.00 ATOM 320 O GLU 59 -1.471 -6.821 -13.763 1.00 0.00 ATOM 321 C GLU 59 -2.388 -7.609 -13.976 1.00 0.00 ATOM 322 N GLY 60 -2.951 -8.316 -13.015 1.00 0.00 ATOM 323 CA GLY 60 -2.581 -8.100 -11.627 1.00 0.00 ATOM 324 O GLY 60 -3.203 -10.364 -11.139 1.00 0.00 ATOM 325 C GLY 60 -2.498 -9.398 -10.845 1.00 0.00 ATOM 326 N ALA 61 -1.611 -9.409 -9.861 1.00 0.00 ATOM 327 CA ALA 61 -1.503 -10.516 -8.918 1.00 0.00 ATOM 328 CB ALA 61 -0.151 -11.198 -9.054 1.00 0.00 ATOM 329 O ALA 61 -1.576 -8.778 -7.284 1.00 0.00 ATOM 330 C ALA 61 -1.653 -9.984 -7.510 1.00 0.00 ATOM 331 N SER 62 -1.839 -10.891 -6.571 1.00 0.00 ATOM 332 CA SER 62 -2.006 -10.538 -5.170 1.00 0.00 ATOM 333 CB SER 62 -3.484 -10.597 -4.776 1.00 0.00 ATOM 334 OG SER 62 -4.249 -9.673 -5.529 1.00 0.00 ATOM 335 O SER 62 -0.985 -12.658 -4.723 1.00 0.00 ATOM 336 C SER 62 -1.221 -11.521 -4.306 1.00 0.00 ATOM 337 N VAL 63 -0.800 -11.083 -3.129 1.00 0.00 ATOM 338 CA VAL 63 -0.128 -11.957 -2.178 1.00 0.00 ATOM 339 CB VAL 63 0.321 -11.185 -0.923 1.00 0.00 ATOM 340 CG1 VAL 63 1.316 -10.097 -1.294 1.00 0.00 ATOM 341 CG2 VAL 63 -0.873 -10.533 -0.242 1.00 0.00 ATOM 342 O VAL 63 -2.246 -13.099 -2.091 1.00 0.00 ATOM 343 C VAL 63 -1.064 -13.080 -1.731 1.00 0.00 ATOM 344 N ALA 64 -0.542 -14.010 -0.945 1.00 0.00 ATOM 345 CA ALA 64 -1.337 -15.127 -0.464 1.00 0.00 ATOM 346 CB ALA 64 -0.456 -16.128 0.268 1.00 0.00 ATOM 347 O ALA 64 -2.132 -14.053 1.539 1.00 0.00 ATOM 348 C ALA 64 -2.414 -14.636 0.493 1.00 0.00 ATOM 349 N TYR 65 -3.649 -14.864 0.111 1.00 0.00 ATOM 350 CA TYR 65 -4.783 -14.382 0.864 1.00 0.00 ATOM 351 CB TYR 65 -5.935 -14.022 -0.074 1.00 0.00 ATOM 352 CG TYR 65 -5.681 -12.790 -0.911 1.00 0.00 ATOM 353 CD1 TYR 65 -5.155 -12.897 -2.194 1.00 0.00 ATOM 354 CD2 TYR 65 -5.967 -11.522 -0.419 1.00 0.00 ATOM 355 CE1 TYR 65 -4.919 -11.776 -2.967 1.00 0.00 ATOM 356 CE2 TYR 65 -5.738 -10.391 -1.178 1.00 0.00 ATOM 357 CZ TYR 65 -5.210 -10.528 -2.461 1.00 0.00 ATOM 358 OH TYR 65 -4.975 -9.410 -3.229 1.00 0.00 ATOM 359 O TYR 65 -5.668 -16.538 1.429 1.00 0.00 ATOM 360 C TYR 65 -5.268 -15.446 1.836 1.00 0.00 ATOM 361 N LEU 70 -5.222 -15.120 3.115 1.00 0.00 ATOM 362 CA LEU 70 -5.647 -16.031 4.165 1.00 0.00 ATOM 363 CB LEU 70 -4.435 -16.697 4.820 1.00 0.00 ATOM 364 CG LEU 70 -3.557 -17.556 3.908 1.00 0.00 ATOM 365 CD1 LEU 70 -2.273 -17.957 4.619 1.00 0.00 ATOM 366 CD2 LEU 70 -4.288 -18.823 3.496 1.00 0.00 ATOM 367 O LEU 70 -6.759 -14.096 5.047 1.00 0.00 ATOM 368 C LEU 70 -6.424 -15.269 5.233 1.00 0.00 ATOM 369 N GLU 71 -6.710 -15.926 6.345 1.00 0.00 ATOM 370 CA GLU 71 -7.326 -15.258 7.476 1.00 0.00 ATOM 371 CB GLU 71 -7.900 -16.283 8.456 1.00 0.00 ATOM 372 CG GLU 71 -9.062 -17.091 7.903 1.00 0.00 ATOM 373 CD GLU 71 -9.590 -18.110 8.892 1.00 0.00 ATOM 374 OE1 GLU 71 -9.078 -18.152 10.030 1.00 0.00 ATOM 375 OE2 GLU 71 -10.515 -18.867 8.530 1.00 0.00 ATOM 376 O GLU 71 -6.641 -13.454 8.897 1.00 0.00 ATOM 377 C GLU 71 -6.295 -14.409 8.208 1.00 0.00 ATOM 378 N GLY 72 -5.020 -14.746 8.034 1.00 0.00 ATOM 379 CA GLY 72 -3.953 -14.069 8.752 1.00 0.00 ATOM 380 O GLY 72 -2.141 -12.582 8.273 1.00 0.00 ATOM 381 C GLY 72 -3.202 -13.067 7.884 1.00 0.00 ATOM 382 N GLN 73 -3.742 -12.748 6.721 1.00 0.00 ATOM 383 CA GLN 73 -3.161 -11.700 5.910 1.00 0.00 ATOM 384 CB GLN 73 -3.416 -11.969 4.426 1.00 0.00 ATOM 385 CG GLN 73 -2.742 -13.225 3.897 1.00 0.00 ATOM 386 CD GLN 73 -1.230 -13.130 3.926 1.00 0.00 ATOM 387 OE1 GLN 73 -0.650 -12.149 3.462 1.00 0.00 ATOM 388 NE2 GLN 73 -0.584 -14.155 4.471 1.00 0.00 ATOM 389 O GLN 73 -4.873 -10.023 5.832 1.00 0.00 ATOM 390 C GLN 73 -3.773 -10.355 6.270 1.00 0.00 ATOM 391 N VAL 74 -3.065 -9.606 7.103 1.00 0.00 ATOM 392 CA VAL 74 -3.468 -8.252 7.460 1.00 0.00 ATOM 393 CB VAL 74 -3.101 -7.920 8.917 1.00 0.00 ATOM 394 CG1 VAL 74 -3.783 -8.887 9.874 1.00 0.00 ATOM 395 CG2 VAL 74 -1.597 -8.019 9.124 1.00 0.00 ATOM 396 O VAL 74 -2.873 -6.059 6.657 1.00 0.00 ATOM 397 C VAL 74 -2.754 -7.280 6.534 1.00 0.00 ATOM 398 N GLU 75 -2.015 -7.855 5.598 1.00 0.00 ATOM 399 CA GLU 75 -1.244 -7.103 4.633 1.00 0.00 ATOM 400 CB GLU 75 0.198 -6.931 5.115 1.00 0.00 ATOM 401 CG GLU 75 1.063 -6.084 4.196 1.00 0.00 ATOM 402 CD GLU 75 2.470 -5.897 4.730 1.00 0.00 ATOM 403 OE1 GLU 75 2.756 -6.398 5.837 1.00 0.00 ATOM 404 OE2 GLU 75 3.285 -5.250 4.041 1.00 0.00 ATOM 405 O GLU 75 -1.149 -9.076 3.291 1.00 0.00 ATOM 406 C GLU 75 -1.243 -7.850 3.312 1.00 0.00 ATOM 407 N LEU 76 -1.369 -7.124 2.222 1.00 0.00 ATOM 408 CA LEU 76 -1.304 -7.736 0.907 1.00 0.00 ATOM 409 CB LEU 76 -2.708 -8.064 0.399 1.00 0.00 ATOM 410 CG LEU 76 -3.676 -6.884 0.271 1.00 0.00 ATOM 411 CD1 LEU 76 -3.502 -6.191 -1.072 1.00 0.00 ATOM 412 CD2 LEU 76 -5.118 -7.357 0.379 1.00 0.00 ATOM 413 O LEU 76 -0.736 -5.575 0.043 1.00 0.00 ATOM 414 C LEU 76 -0.642 -6.797 -0.081 1.00 0.00 ATOM 415 N ASP 77 0.041 -7.374 -1.045 1.00 0.00 ATOM 416 CA ASP 77 0.699 -6.604 -2.077 1.00 0.00 ATOM 417 CB ASP 77 2.210 -6.835 -2.037 1.00 0.00 ATOM 418 CG ASP 77 2.860 -6.230 -0.808 1.00 0.00 ATOM 419 OD1 ASP 77 2.698 -5.013 -0.589 1.00 0.00 ATOM 420 OD2 ASP 77 3.532 -6.976 -0.063 1.00 0.00 ATOM 421 O ASP 77 0.488 -8.098 -3.947 1.00 0.00 ATOM 422 C ASP 77 0.178 -7.018 -3.450 1.00 0.00 ATOM 423 N ALA 78 -0.638 -6.164 -4.044 1.00 0.00 ATOM 424 CA ALA 78 -1.218 -6.449 -5.344 1.00 0.00 ATOM 425 CB ALA 78 -2.725 -6.240 -5.309 1.00 0.00 ATOM 426 O ALA 78 -0.679 -4.305 -6.259 1.00 0.00 ATOM 427 C ALA 78 -0.626 -5.529 -6.398 1.00 0.00 ATOM 428 N ALA 79 -0.051 -6.113 -7.438 1.00 0.00 ATOM 429 CA ALA 79 0.588 -5.330 -8.482 1.00 0.00 ATOM 430 CB ALA 79 1.995 -5.846 -8.745 1.00 0.00 ATOM 431 O ALA 79 -0.499 -6.469 -10.281 1.00 0.00 ATOM 432 C ALA 79 -0.175 -5.393 -9.781 1.00 0.00 ATOM 433 N PHE 80 -0.457 -4.220 -10.309 1.00 0.00 ATOM 434 CA PHE 80 -1.148 -4.078 -11.569 1.00 0.00 ATOM 435 CB PHE 80 -2.206 -2.978 -11.480 1.00 0.00 ATOM 436 CG PHE 80 -3.351 -3.309 -10.565 1.00 0.00 ATOM 437 CD1 PHE 80 -3.315 -2.946 -9.230 1.00 0.00 ATOM 438 CD2 PHE 80 -4.462 -3.985 -11.038 1.00 0.00 ATOM 439 CE1 PHE 80 -4.368 -3.251 -8.387 1.00 0.00 ATOM 440 CE2 PHE 80 -5.514 -4.290 -10.196 1.00 0.00 ATOM 441 CZ PHE 80 -5.470 -3.926 -8.876 1.00 0.00 ATOM 442 O PHE 80 0.542 -2.696 -12.540 1.00 0.00 ATOM 443 C PHE 80 -0.142 -3.715 -12.648 1.00 0.00 ATOM 444 N THR 81 -0.017 -4.551 -13.664 1.00 0.00 ATOM 445 CA THR 81 0.828 -4.215 -14.792 1.00 0.00 ATOM 446 CB THR 81 1.624 -5.438 -15.285 1.00 0.00 ATOM 447 CG2 THR 81 2.479 -5.068 -16.487 1.00 0.00 ATOM 448 OG1 THR 81 2.480 -5.908 -14.234 1.00 0.00 ATOM 449 O THR 81 -1.098 -4.267 -16.219 1.00 0.00 ATOM 450 C THR 81 -0.035 -3.713 -15.933 1.00 0.00 ATOM 451 N PHE 82 0.434 -2.671 -16.576 1.00 0.00 ATOM 452 CA PHE 82 -0.330 -2.010 -17.616 1.00 0.00 ATOM 453 CB PHE 82 -0.370 -0.500 -17.376 1.00 0.00 ATOM 454 CG PHE 82 -1.014 -0.111 -16.076 1.00 0.00 ATOM 455 CD1 PHE 82 -0.244 0.273 -14.992 1.00 0.00 ATOM 456 CD2 PHE 82 -2.390 -0.129 -15.937 1.00 0.00 ATOM 457 CE1 PHE 82 -0.838 0.631 -13.796 1.00 0.00 ATOM 458 CE2 PHE 82 -2.984 0.230 -14.741 1.00 0.00 ATOM 459 CZ PHE 82 -2.214 0.608 -13.674 1.00 0.00 ATOM 460 O PHE 82 1.242 -3.058 -19.086 1.00 0.00 ATOM 461 C PHE 82 0.304 -2.268 -18.971 1.00 0.00 ATOM 462 N SER 83 -0.201 -1.604 -19.991 1.00 0.00 ATOM 463 CA SER 83 0.291 -1.794 -21.338 1.00 0.00 ATOM 464 CB SER 83 -0.780 -1.411 -22.360 1.00 0.00 ATOM 465 OG SER 83 -1.906 -2.265 -22.265 1.00 0.00 ATOM 466 O SER 83 2.468 -1.346 -22.238 1.00 0.00 ATOM 467 C SER 83 1.517 -0.931 -21.575 1.00 0.00 ATOM 468 N CYS 84 1.497 0.269 -21.020 1.00 0.00 ATOM 469 CA CYS 84 2.631 1.170 -21.122 1.00 0.00 ATOM 470 CB CYS 84 2.309 2.335 -22.060 1.00 0.00 ATOM 471 SG CYS 84 1.933 1.844 -23.759 1.00 0.00 ATOM 472 O CYS 84 2.151 1.775 -18.847 1.00 0.00 ATOM 473 C CYS 84 2.986 1.738 -19.754 1.00 0.00 ATOM 474 N GLN 85 4.226 2.184 -19.608 1.00 0.00 ATOM 475 CA GLN 85 4.709 2.719 -18.345 1.00 0.00 ATOM 476 CB GLN 85 6.209 3.013 -18.426 1.00 0.00 ATOM 477 CG GLN 85 6.570 4.146 -19.371 1.00 0.00 ATOM 478 CD GLN 85 8.067 4.343 -19.501 1.00 0.00 ATOM 479 OE1 GLN 85 8.853 3.634 -18.871 1.00 0.00 ATOM 480 NE2 GLN 85 8.468 5.308 -20.320 1.00 0.00 ATOM 481 O GLN 85 3.956 4.419 -16.820 1.00 0.00 ATOM 482 C GLN 85 3.993 4.018 -17.984 1.00 0.00 ATOM 483 N ALA 86 3.407 4.653 -18.988 1.00 0.00 ATOM 484 CA ALA 86 2.648 5.878 -18.784 1.00 0.00 ATOM 485 CB ALA 86 2.201 6.452 -20.119 1.00 0.00 ATOM 486 O ALA 86 1.058 6.399 -17.068 1.00 0.00 ATOM 487 C ALA 86 1.410 5.605 -17.938 1.00 0.00 ATOM 488 N GLU 87 0.768 4.465 -18.182 1.00 0.00 ATOM 489 CA GLU 87 -0.432 4.079 -17.452 1.00 0.00 ATOM 490 CB GLU 87 -1.029 2.799 -18.039 1.00 0.00 ATOM 491 CG GLU 87 -1.648 2.977 -19.416 1.00 0.00 ATOM 492 CD GLU 87 -2.145 1.672 -20.005 1.00 0.00 ATOM 493 OE1 GLU 87 -1.950 0.617 -19.364 1.00 0.00 ATOM 494 OE2 GLU 87 -2.732 1.703 -21.107 1.00 0.00 ATOM 495 O GLU 87 -0.923 4.105 -15.098 1.00 0.00 ATOM 496 C GLU 87 -0.109 3.828 -15.980 1.00 0.00 ATOM 497 N MET 88 1.092 3.312 -15.731 1.00 0.00 ATOM 498 CA MET 88 1.578 3.114 -14.371 1.00 0.00 ATOM 499 CB MET 88 2.991 2.526 -14.388 1.00 0.00 ATOM 500 CG MET 88 3.574 2.272 -13.008 1.00 0.00 ATOM 501 SD MET 88 5.248 1.604 -13.071 1.00 0.00 ATOM 502 CE MET 88 6.162 3.037 -13.634 1.00 0.00 ATOM 503 O MET 88 1.005 4.608 -12.587 1.00 0.00 ATOM 504 C MET 88 1.608 4.442 -13.644 1.00 0.00 ATOM 505 N ILE 89 2.322 5.379 -14.247 1.00 0.00 ATOM 506 CA ILE 89 2.464 6.728 -13.706 1.00 0.00 ATOM 507 CB ILE 89 3.223 7.649 -14.681 1.00 0.00 ATOM 508 CG1 ILE 89 4.684 7.211 -14.803 1.00 0.00 ATOM 509 CG2 ILE 89 3.191 9.088 -14.186 1.00 0.00 ATOM 510 CD1 ILE 89 5.429 7.880 -15.935 1.00 0.00 ATOM 511 O ILE 89 0.893 7.958 -12.383 1.00 0.00 ATOM 512 C ILE 89 1.105 7.365 -13.438 1.00 0.00 ATOM 513 N ILE 90 0.187 7.235 -14.391 1.00 0.00 ATOM 514 CA ILE 90 -1.165 7.769 -14.236 1.00 0.00 ATOM 515 CB ILE 90 -2.036 7.470 -15.470 1.00 0.00 ATOM 516 CG1 ILE 90 -1.526 8.252 -16.683 1.00 0.00 ATOM 517 CG2 ILE 90 -3.480 7.868 -15.212 1.00 0.00 ATOM 518 CD1 ILE 90 -2.146 7.819 -17.993 1.00 0.00 ATOM 519 O ILE 90 -2.477 7.856 -12.221 1.00 0.00 ATOM 520 C ILE 90 -1.856 7.152 -13.020 1.00 0.00 ATOM 521 N PHE 91 -1.735 5.836 -12.878 1.00 0.00 ATOM 522 CA PHE 91 -2.329 5.132 -11.748 1.00 0.00 ATOM 523 CB PHE 91 -2.109 3.624 -11.881 1.00 0.00 ATOM 524 CG PHE 91 -2.687 2.824 -10.748 1.00 0.00 ATOM 525 CD1 PHE 91 -4.042 2.546 -10.699 1.00 0.00 ATOM 526 CD2 PHE 91 -1.876 2.350 -9.732 1.00 0.00 ATOM 527 CE1 PHE 91 -4.574 1.810 -9.656 1.00 0.00 ATOM 528 CE2 PHE 91 -2.408 1.616 -8.690 1.00 0.00 ATOM 529 CZ PHE 91 -3.750 1.345 -8.649 1.00 0.00 ATOM 530 O PHE 91 -2.391 5.820 -9.444 1.00 0.00 ATOM 531 C PHE 91 -1.697 5.600 -10.438 1.00 0.00 ATOM 532 N GLU 92 -0.378 5.763 -10.449 1.00 0.00 ATOM 533 CA GLU 92 0.351 6.250 -9.285 1.00 0.00 ATOM 534 CB GLU 92 1.856 6.242 -9.554 1.00 0.00 ATOM 535 CG GLU 92 2.468 4.852 -9.624 1.00 0.00 ATOM 536 CD GLU 92 3.933 4.879 -10.014 1.00 0.00 ATOM 537 OE1 GLU 92 4.451 5.979 -10.301 1.00 0.00 ATOM 538 OE2 GLU 92 4.562 3.800 -10.032 1.00 0.00 ATOM 539 O GLU 92 -0.244 8.018 -7.774 1.00 0.00 ATOM 540 C GLU 92 -0.069 7.678 -8.943 1.00 0.00 ATOM 541 N LEU 93 -0.251 8.504 -9.967 1.00 0.00 ATOM 542 CA LEU 93 -0.679 9.872 -9.792 1.00 0.00 ATOM 543 CB LEU 93 -0.684 10.609 -11.132 1.00 0.00 ATOM 544 CG LEU 93 0.684 10.891 -11.755 1.00 0.00 ATOM 545 CD1 LEU 93 0.530 11.460 -13.157 1.00 0.00 ATOM 546 CD2 LEU 93 1.459 11.898 -10.917 1.00 0.00 ATOM 547 O LEU 93 -2.353 10.727 -8.293 1.00 0.00 ATOM 548 C LEU 93 -2.090 9.946 -9.210 1.00 0.00 ATOM 549 N SER 94 -2.994 9.130 -9.738 1.00 0.00 ATOM 550 CA SER 94 -4.376 9.123 -9.268 1.00 0.00 ATOM 551 CB SER 94 -5.245 8.251 -10.174 1.00 0.00 ATOM 552 OG SER 94 -5.345 8.805 -11.474 1.00 0.00 ATOM 553 O SER 94 -5.236 9.108 -7.029 1.00 0.00 ATOM 554 C SER 94 -4.484 8.577 -7.849 1.00 0.00 ATOM 555 N LEU 95 -3.717 7.533 -7.547 1.00 0.00 ATOM 556 CA LEU 95 -3.767 6.922 -6.226 1.00 0.00 ATOM 557 CB LEU 95 -2.896 5.664 -6.185 1.00 0.00 ATOM 558 CG LEU 95 -3.027 4.791 -4.936 1.00 0.00 ATOM 559 CD1 LEU 95 -4.457 4.297 -4.772 1.00 0.00 ATOM 560 CD2 LEU 95 -2.113 3.578 -5.029 1.00 0.00 ATOM 561 O LEU 95 -3.605 7.729 -3.982 1.00 0.00 ATOM 562 C LEU 95 -3.265 7.876 -5.148 1.00 0.00 ATOM 563 N ARG 96 -2.475 8.865 -5.542 1.00 0.00 ATOM 564 CA ARG 96 -1.997 9.872 -4.618 1.00 0.00 ATOM 565 CB ARG 96 -1.098 10.877 -5.340 1.00 0.00 ATOM 566 CG ARG 96 0.253 10.318 -5.754 1.00 0.00 ATOM 567 CD ARG 96 1.063 11.345 -6.528 1.00 0.00 ATOM 568 NE ARG 96 2.355 10.813 -6.958 1.00 0.00 ATOM 569 CZ ARG 96 3.223 11.478 -7.712 1.00 0.00 ATOM 570 NH1 ARG 96 4.373 10.914 -8.053 1.00 0.00 ATOM 571 NH2 ARG 96 2.939 12.707 -8.123 1.00 0.00 ATOM 572 O ARG 96 -3.163 10.889 -2.786 1.00 0.00 ATOM 573 C ARG 96 -3.155 10.643 -3.988 1.00 0.00 ATOM 574 N SER 97 -4.129 11.019 -4.803 1.00 0.00 ATOM 575 CA SER 97 -5.285 11.745 -4.324 1.00 0.00 ATOM 576 CB SER 97 -5.968 12.487 -5.475 1.00 0.00 ATOM 577 OG SER 97 -6.537 11.578 -6.401 1.00 0.00 ATOM 578 O SER 97 -7.232 11.261 -3.005 1.00 0.00 ATOM 579 C SER 97 -6.315 10.815 -3.694 1.00 0.00 ATOM 580 N LEU 98 -6.150 9.522 -3.918 1.00 0.00 ATOM 581 CA LEU 98 -7.078 8.536 -3.409 1.00 0.00 ATOM 582 CB LEU 98 -7.216 7.371 -4.392 1.00 0.00 ATOM 583 CG LEU 98 -7.787 7.710 -5.769 1.00 0.00 ATOM 584 CD1 LEU 98 -7.747 6.495 -6.683 1.00 0.00 ATOM 585 CD2 LEU 98 -9.231 8.171 -5.654 1.00 0.00 ATOM 586 O LEU 98 -7.398 7.767 -1.154 1.00 0.00 ATOM 587 C LEU 98 -6.604 7.975 -2.068 1.00 0.00 ATOM 588 N ALA 99 -5.302 7.758 -1.955 1.00 0.00 ATOM 589 CA ALA 99 -4.735 7.081 -0.794 1.00 0.00 ATOM 590 CB ALA 99 -3.505 6.281 -1.196 1.00 0.00 ATOM 591 O ALA 99 -3.543 7.710 1.190 1.00 0.00 ATOM 592 C ALA 99 -4.312 8.056 0.293 1.00 0.00 TER END