PFRMAT TS TARGET T0471 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 T0471 model 1 Wed Jun 25 13:39:22 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 3.965 6.823 10.406 1.00 0.00 ATOM 2 CA MET 1 3.459 7.804 9.441 1.00 0.00 ATOM 3 CB MET 1 1.962 7.614 9.220 1.00 0.00 ATOM 4 CG MET 1 1.583 6.205 8.762 1.00 0.00 ATOM 5 SD MET 1 2.293 5.728 7.168 1.00 0.00 ATOM 6 CE MET 1 1.147 6.495 6.045 1.00 0.00 ATOM 7 O MET 1 3.261 9.368 11.305 1.00 0.00 ATOM 8 C MET 1 3.394 9.202 10.079 1.00 0.00 ATOM 9 N TRP 2 3.512 10.253 9.170 1.00 0.00 ATOM 10 CA TRP 2 3.578 11.624 9.610 1.00 0.00 ATOM 11 CB TRP 2 4.927 12.193 8.943 1.00 0.00 ATOM 12 CG TRP 2 5.414 13.488 9.494 1.00 0.00 ATOM 13 CD1 TRP 2 5.309 14.716 8.893 1.00 0.00 ATOM 14 CD2 TRP 2 6.055 13.717 10.751 1.00 0.00 ATOM 15 CE2 TRP 2 6.313 15.105 10.850 1.00 0.00 ATOM 16 CE3 TRP 2 6.437 12.892 11.812 1.00 0.00 ATOM 17 NE1 TRP 2 5.841 15.686 9.699 1.00 0.00 ATOM 18 CZ2 TRP 2 6.930 15.682 11.944 1.00 0.00 ATOM 19 CZ3 TRP 2 7.061 13.467 12.923 1.00 0.00 ATOM 20 CH2 TRP 2 7.300 14.859 12.977 1.00 0.00 ATOM 21 O TRP 2 1.737 12.145 8.119 1.00 0.00 ATOM 22 C TRP 2 2.394 12.471 9.119 1.00 0.00 ATOM 23 N ASN 3 2.198 13.641 9.745 1.00 0.00 ATOM 24 CA ASN 3 1.232 14.631 9.186 1.00 0.00 ATOM 25 CB ASN 3 1.232 15.866 10.119 1.00 0.00 ATOM 26 CG ASN 3 0.648 15.561 11.495 1.00 0.00 ATOM 27 ND2 ASN 3 1.050 16.321 12.501 1.00 0.00 ATOM 28 OD1 ASN 3 -0.169 14.653 11.634 1.00 0.00 ATOM 29 O ASN 3 0.618 15.278 6.967 1.00 0.00 ATOM 30 C ASN 3 1.546 15.028 7.749 1.00 0.00 ATOM 31 N ASP 4 2.832 15.134 7.381 1.00 0.00 ATOM 32 CA ASP 4 3.194 15.470 5.997 1.00 0.00 ATOM 33 CB ASP 4 4.692 15.733 5.870 1.00 0.00 ATOM 34 CG ASP 4 5.100 17.115 6.349 1.00 0.00 ATOM 35 OD1 ASP 4 4.233 17.956 6.685 1.00 0.00 ATOM 36 OD2 ASP 4 6.314 17.357 6.374 1.00 0.00 ATOM 37 O ASP 4 2.311 14.620 3.935 1.00 0.00 ATOM 38 C ASP 4 2.787 14.355 5.039 1.00 0.00 ATOM 39 N LEU 5 2.974 13.110 5.464 1.00 0.00 ATOM 40 CA LEU 5 2.617 11.956 4.628 1.00 0.00 ATOM 41 CB LEU 5 3.145 10.711 5.293 1.00 0.00 ATOM 42 CG LEU 5 3.282 9.435 4.529 1.00 0.00 ATOM 43 CD1 LEU 5 3.722 9.589 3.055 1.00 0.00 ATOM 44 CD2 LEU 5 4.260 8.545 5.349 1.00 0.00 ATOM 45 O LEU 5 0.703 11.683 3.241 1.00 0.00 ATOM 46 C LEU 5 1.130 11.951 4.357 1.00 0.00 ATOM 47 N ALA 6 0.313 12.262 5.357 1.00 0.00 ATOM 48 CA ALA 6 -1.132 12.321 5.165 1.00 0.00 ATOM 49 CB ALA 6 -1.826 12.599 6.477 1.00 0.00 ATOM 50 O ALA 6 -2.442 13.173 3.333 1.00 0.00 ATOM 51 C ALA 6 -1.514 13.375 4.123 1.00 0.00 ATOM 52 N VAL 7 -0.810 14.507 4.127 1.00 0.00 ATOM 53 CA VAL 7 -1.076 15.558 3.140 1.00 0.00 ATOM 54 CB VAL 7 -0.282 16.849 3.462 1.00 0.00 ATOM 55 CG1 VAL 7 -0.475 17.882 2.340 1.00 0.00 ATOM 56 CG2 VAL 7 -0.740 17.405 4.792 1.00 0.00 ATOM 57 O VAL 7 -1.517 15.185 0.795 1.00 0.00 ATOM 58 C VAL 7 -0.723 15.045 1.728 1.00 0.00 ATOM 59 N TYR 8 0.436 14.408 1.636 1.00 0.00 ATOM 60 CA TYR 8 0.863 13.823 0.360 1.00 0.00 ATOM 61 CB TYR 8 2.258 13.172 0.585 1.00 0.00 ATOM 62 CG TYR 8 2.847 12.601 -0.683 1.00 0.00 ATOM 63 CD1 TYR 8 2.412 11.377 -1.192 1.00 0.00 ATOM 64 CD2 TYR 8 3.811 13.309 -1.396 1.00 0.00 ATOM 65 CE1 TYR 8 2.927 10.873 -2.388 1.00 0.00 ATOM 66 CE2 TYR 8 4.330 12.817 -2.590 1.00 0.00 ATOM 67 CZ TYR 8 3.883 11.601 -3.079 1.00 0.00 ATOM 68 OH TYR 8 4.387 11.137 -4.269 1.00 0.00 ATOM 69 O TYR 8 -0.481 12.767 -1.237 1.00 0.00 ATOM 70 C TYR 8 -0.145 12.755 -0.083 1.00 0.00 ATOM 71 N ILE 9 -0.638 11.917 0.852 1.00 0.00 ATOM 72 CA ILE 9 -1.597 10.879 0.478 1.00 0.00 ATOM 73 CB ILE 9 -1.761 9.872 1.644 1.00 0.00 ATOM 74 CG1 ILE 9 -0.530 8.957 1.682 1.00 0.00 ATOM 75 CG2 ILE 9 -3.037 9.038 1.458 1.00 0.00 ATOM 76 CD1 ILE 9 -0.452 8.054 2.886 1.00 0.00 ATOM 77 O ILE 9 -3.555 11.022 -0.909 1.00 0.00 ATOM 78 C ILE 9 -2.934 11.493 0.043 1.00 0.00 ATOM 79 N ILE 10 -3.410 12.551 0.735 1.00 0.00 ATOM 80 CA ILE 10 -4.652 13.232 0.368 1.00 0.00 ATOM 81 CB ILE 10 -5.035 14.233 1.565 1.00 0.00 ATOM 82 CG1 ILE 10 -5.305 13.458 2.859 1.00 0.00 ATOM 83 CG2 ILE 10 -6.237 15.091 1.172 1.00 0.00 ATOM 84 CD1 ILE 10 -5.535 14.332 4.075 1.00 0.00 ATOM 85 O ILE 10 -5.537 13.985 -1.740 1.00 0.00 ATOM 86 C ILE 10 -4.541 13.852 -1.027 1.00 0.00 ATOM 87 N ARG 11 -3.324 14.254 -1.394 1.00 0.00 ATOM 88 CA ARG 11 -3.079 14.851 -2.699 1.00 0.00 ATOM 89 CB ARG 11 -1.808 15.744 -2.570 1.00 0.00 ATOM 90 CG ARG 11 -2.027 16.951 -1.670 1.00 0.00 ATOM 91 CD ARG 11 -0.774 17.786 -1.563 1.00 0.00 ATOM 92 NE ARG 11 -0.999 18.983 -0.760 1.00 0.00 ATOM 93 CZ ARG 11 -0.167 20.017 -0.714 1.00 0.00 ATOM 94 NH1 ARG 11 0.950 20.005 -1.425 1.00 0.00 ATOM 95 NH2 ARG 11 -0.459 21.068 0.040 1.00 0.00 ATOM 96 O ARG 11 -3.287 13.942 -4.909 1.00 0.00 ATOM 97 C ARG 11 -2.880 13.772 -3.760 1.00 0.00 ATOM 98 N CYS 12 -2.229 12.595 -3.365 1.00 0.00 ATOM 99 CA CYS 12 -2.008 11.481 -4.281 1.00 0.00 ATOM 100 CB CYS 12 -1.040 10.485 -3.645 1.00 0.00 ATOM 101 SG CYS 12 -0.651 9.051 -4.673 1.00 0.00 ATOM 102 O CYS 12 -3.588 10.503 -5.789 1.00 0.00 ATOM 103 C CYS 12 -3.322 10.794 -4.624 1.00 0.00 ATOM 104 N SER 13 -4.136 10.528 -3.607 1.00 0.00 ATOM 105 CA SER 13 -5.434 9.894 -3.810 1.00 0.00 ATOM 106 CB SER 13 -5.560 8.594 -3.053 1.00 0.00 ATOM 107 OG SER 13 -5.595 8.797 -1.651 1.00 0.00 ATOM 108 O SER 13 -6.184 11.873 -2.703 1.00 0.00 ATOM 109 C SER 13 -6.499 10.874 -3.343 1.00 0.00 ATOM 110 N GLY 14 -7.756 10.593 -3.659 1.00 0.00 ATOM 111 CA GLY 14 -8.816 11.491 -3.241 1.00 0.00 ATOM 112 O GLY 14 -8.880 10.165 -1.250 1.00 0.00 ATOM 113 C GLY 14 -9.259 11.192 -1.816 1.00 0.00 ATOM 114 N PRO 15 -10.032 12.078 -1.196 1.00 0.00 ATOM 115 CA PRO 15 -10.505 11.859 0.181 1.00 0.00 ATOM 116 CB PRO 15 -11.218 13.165 0.540 1.00 0.00 ATOM 117 CG PRO 15 -10.587 14.189 -0.343 1.00 0.00 ATOM 118 CD PRO 15 -10.319 13.502 -1.653 1.00 0.00 ATOM 119 O PRO 15 -12.378 10.559 -0.592 1.00 0.00 ATOM 120 C PRO 15 -11.475 10.679 0.241 1.00 0.00 ATOM 121 N GLY 16 -11.272 9.816 1.216 1.00 0.00 ATOM 122 CA GLY 16 -12.123 8.650 1.375 1.00 0.00 ATOM 123 O GLY 16 -12.638 6.712 0.123 1.00 0.00 ATOM 124 C GLY 16 -11.808 7.588 0.398 1.00 0.00 ATOM 125 N THR 17 -10.603 7.542 -0.221 1.00 0.00 ATOM 126 CA THR 17 -10.357 6.559 -1.256 1.00 0.00 ATOM 127 CB THR 17 -8.866 6.506 -1.636 1.00 0.00 ATOM 128 CG2 THR 17 -8.662 5.540 -2.778 1.00 0.00 ATOM 129 OG1 THR 17 -8.439 7.809 -2.044 1.00 0.00 ATOM 130 O THR 17 -10.355 4.941 0.540 1.00 0.00 ATOM 131 C THR 17 -10.443 5.149 -0.680 1.00 0.00 ATOM 132 N ARG 18 -10.638 4.190 -1.584 1.00 0.00 ATOM 133 CA ARG 18 -10.517 2.764 -1.239 1.00 0.00 ATOM 134 CB ARG 18 -11.405 1.902 -2.169 1.00 0.00 ATOM 135 CG ARG 18 -12.889 2.214 -2.134 1.00 0.00 ATOM 136 CD ARG 18 -13.634 1.343 -3.136 1.00 0.00 ATOM 137 NE ARG 18 -13.480 -0.080 -2.839 1.00 0.00 ATOM 138 CZ ARG 18 -13.854 -1.061 -3.655 1.00 0.00 ATOM 139 NH1 ARG 18 -13.675 -2.324 -3.299 1.00 0.00 ATOM 140 NH2 ARG 18 -14.398 -0.778 -4.831 1.00 0.00 ATOM 141 O ARG 18 -8.369 2.512 -2.264 1.00 0.00 ATOM 142 C ARG 18 -9.053 2.370 -1.259 1.00 0.00 ATOM 143 N VAL 19 -8.564 1.874 -0.138 1.00 0.00 ATOM 144 CA VAL 19 -7.161 1.540 -0.040 1.00 0.00 ATOM 145 CB VAL 19 -6.414 2.513 0.891 1.00 0.00 ATOM 146 CG1 VAL 19 -4.952 2.112 1.017 1.00 0.00 ATOM 147 CG2 VAL 19 -6.477 3.930 0.341 1.00 0.00 ATOM 148 O VAL 19 -7.716 -0.289 1.406 1.00 0.00 ATOM 149 C VAL 19 -7.000 0.125 0.494 1.00 0.00 ATOM 150 N VAL 20 -6.056 -0.619 -0.075 1.00 0.00 ATOM 151 CA VAL 20 -5.811 -1.990 0.358 1.00 0.00 ATOM 152 CB VAL 20 -5.582 -2.905 -0.872 1.00 0.00 ATOM 153 CG1 VAL 20 -5.139 -4.285 -0.403 1.00 0.00 ATOM 154 CG2 VAL 20 -6.883 -2.998 -1.711 1.00 0.00 ATOM 155 O VAL 20 -3.564 -1.374 0.782 1.00 0.00 ATOM 156 C VAL 20 -4.518 -2.055 1.121 1.00 0.00 ATOM 157 N GLU 21 -4.478 -2.887 2.158 1.00 0.00 ATOM 158 CA GLU 21 -3.259 -3.166 2.883 1.00 0.00 ATOM 159 CB GLU 21 -3.281 -2.520 4.260 1.00 0.00 ATOM 160 CG GLU 21 -1.923 -2.529 4.948 1.00 0.00 ATOM 161 CD GLU 21 -1.935 -1.779 6.259 1.00 0.00 ATOM 162 OE1 GLU 21 -2.807 -2.067 7.104 1.00 0.00 ATOM 163 OE2 GLU 21 -1.067 -0.903 6.449 1.00 0.00 ATOM 164 O GLU 21 -4.025 -5.373 3.470 1.00 0.00 ATOM 165 C GLU 21 -3.131 -4.686 2.985 1.00 0.00 ATOM 166 N VAL 22 -2.010 -5.199 2.488 1.00 0.00 ATOM 167 CA VAL 22 -1.719 -6.644 2.538 1.00 0.00 ATOM 168 CB VAL 22 -1.290 -7.134 1.143 1.00 0.00 ATOM 169 CG1 VAL 22 -1.144 -8.657 1.141 1.00 0.00 ATOM 170 CG2 VAL 22 -2.242 -6.684 0.047 1.00 0.00 ATOM 171 O VAL 22 0.462 -6.381 3.451 1.00 0.00 ATOM 172 C VAL 22 -0.647 -6.901 3.582 1.00 0.00 ATOM 173 N GLY 23 -0.976 -7.707 4.605 1.00 0.00 ATOM 174 CA GLY 23 -0.040 -7.987 5.696 1.00 0.00 ATOM 175 O GLY 23 0.207 -5.975 6.973 1.00 0.00 ATOM 176 C GLY 23 -0.338 -7.080 6.866 1.00 0.00 ATOM 177 N ALA 24 -1.207 -7.554 7.743 1.00 0.00 ATOM 178 CA ALA 24 -1.699 -6.738 8.851 1.00 0.00 ATOM 179 CB ALA 24 -3.140 -7.101 9.172 1.00 0.00 ATOM 180 O ALA 24 -1.367 -7.397 11.149 1.00 0.00 ATOM 181 C ALA 24 -0.861 -6.957 10.106 1.00 0.00 ATOM 182 N GLY 25 0.423 -6.636 9.986 1.00 0.00 ATOM 183 CA GLY 25 1.338 -6.709 11.126 1.00 0.00 ATOM 184 O GLY 25 0.583 -4.512 11.637 1.00 0.00 ATOM 185 C GLY 25 1.474 -5.343 11.756 1.00 0.00 ATOM 186 N ARG 26 2.603 -5.110 12.419 1.00 0.00 ATOM 187 CA ARG 26 2.764 -3.828 13.067 1.00 0.00 ATOM 188 CB ARG 26 3.999 -3.765 13.943 1.00 0.00 ATOM 189 CG ARG 26 5.284 -3.396 13.184 1.00 0.00 ATOM 190 CD ARG 26 6.298 -4.528 13.283 1.00 0.00 ATOM 191 NE ARG 26 7.654 -4.240 12.845 1.00 0.00 ATOM 192 CZ ARG 26 8.417 -3.333 13.438 1.00 0.00 ATOM 193 NH1 ARG 26 7.978 -2.596 14.465 1.00 0.00 ATOM 194 NH2 ARG 26 9.652 -3.125 12.985 1.00 0.00 ATOM 195 O ARG 26 2.486 -1.553 12.481 1.00 0.00 ATOM 196 C ARG 26 2.778 -2.683 12.085 1.00 0.00 ATOM 197 N PHE 27 3.086 -3.034 10.835 1.00 0.00 ATOM 198 CA PHE 27 3.169 -2.020 9.779 1.00 0.00 ATOM 199 CB PHE 27 3.849 -2.591 8.534 1.00 0.00 ATOM 200 CG PHE 27 5.261 -3.044 8.768 1.00 0.00 ATOM 201 CD1 PHE 27 5.555 -4.386 8.938 1.00 0.00 ATOM 202 CD2 PHE 27 6.298 -2.129 8.820 1.00 0.00 ATOM 203 CE1 PHE 27 6.854 -4.803 9.155 1.00 0.00 ATOM 204 CE2 PHE 27 7.598 -2.546 9.037 1.00 0.00 ATOM 205 CZ PHE 27 7.878 -3.876 9.203 1.00 0.00 ATOM 206 O PHE 27 1.534 -0.292 9.267 1.00 0.00 ATOM 207 C PHE 27 1.793 -1.517 9.353 1.00 0.00 ATOM 208 N LEU 28 0.060 -2.226 9.609 1.00 0.00 ATOM 209 CA LEU 28 -1.063 -2.016 10.534 1.00 0.00 ATOM 210 CB LEU 28 -0.902 -2.891 11.779 1.00 0.00 ATOM 211 CG LEU 28 -2.013 -2.789 12.826 1.00 0.00 ATOM 212 CD1 LEU 28 -3.349 -3.216 12.239 1.00 0.00 ATOM 213 CD2 LEU 28 -1.710 -3.683 14.019 1.00 0.00 ATOM 214 O LEU 28 -2.208 0.031 11.061 1.00 0.00 ATOM 215 C LEU 28 -1.134 -0.533 10.987 1.00 0.00 ATOM 216 N TYR 29 0.022 0.072 11.250 1.00 0.00 ATOM 217 CA TYR 29 0.093 1.481 11.634 1.00 0.00 ATOM 218 CB TYR 29 1.537 1.877 11.951 1.00 0.00 ATOM 219 CG TYR 29 1.705 3.334 12.320 1.00 0.00 ATOM 220 CD1 TYR 29 1.397 3.785 13.598 1.00 0.00 ATOM 221 CD2 TYR 29 2.171 4.254 11.390 1.00 0.00 ATOM 222 CE1 TYR 29 1.548 5.114 13.943 1.00 0.00 ATOM 223 CE2 TYR 29 2.328 5.587 11.717 1.00 0.00 ATOM 224 CZ TYR 29 2.012 6.012 13.006 1.00 0.00 ATOM 225 OH TYR 29 2.163 7.336 13.349 1.00 0.00 ATOM 226 O TYR 29 -1.209 3.295 10.763 1.00 0.00 ATOM 227 C TYR 29 -0.420 2.384 10.523 1.00 0.00 ATOM 228 N VAL 30 0.051 2.137 9.313 1.00 0.00 ATOM 229 CA VAL 30 -0.335 2.954 8.185 1.00 0.00 ATOM 230 CB VAL 30 0.414 2.536 6.905 1.00 0.00 ATOM 231 CG1 VAL 30 -0.131 3.287 5.699 1.00 0.00 ATOM 232 CG2 VAL 30 1.898 2.842 7.032 1.00 0.00 ATOM 233 O VAL 30 -2.502 3.830 7.608 1.00 0.00 ATOM 234 C VAL 30 -1.833 2.828 7.902 1.00 0.00 ATOM 235 N SER 31 -2.351 1.616 8.007 1.00 0.00 ATOM 236 CA SER 31 -3.777 1.368 7.796 1.00 0.00 ATOM 237 CB SER 31 -4.135 -0.096 7.967 1.00 0.00 ATOM 238 OG SER 31 -5.508 -0.311 7.665 1.00 0.00 ATOM 239 O SER 31 -5.591 2.809 8.480 1.00 0.00 ATOM 240 C SER 31 -4.598 2.149 8.834 1.00 0.00 ATOM 241 N ASP 32 -4.205 2.060 10.127 1.00 0.00 ATOM 242 CA ASP 32 -4.962 2.736 11.181 1.00 0.00 ATOM 243 CB ASP 32 -4.323 2.451 12.542 1.00 0.00 ATOM 244 CG ASP 32 -5.120 3.036 13.693 1.00 0.00 ATOM 245 OD1 ASP 32 -6.286 2.629 13.875 1.00 0.00 ATOM 246 OD2 ASP 32 -4.578 3.901 14.411 1.00 0.00 ATOM 247 O ASP 32 -5.993 4.886 11.110 1.00 0.00 ATOM 248 C ASP 32 -4.970 4.237 10.960 1.00 0.00 ATOM 249 N TYR 33 -3.803 4.782 10.607 1.00 0.00 ATOM 250 CA TYR 33 -3.693 6.231 10.463 1.00 0.00 ATOM 251 CB TYR 33 -2.193 6.659 10.451 1.00 0.00 ATOM 252 CG TYR 33 -1.930 8.149 10.535 1.00 0.00 ATOM 253 CD1 TYR 33 -2.207 8.888 11.673 1.00 0.00 ATOM 254 CD2 TYR 33 -1.377 8.825 9.463 1.00 0.00 ATOM 255 CE1 TYR 33 -1.934 10.234 11.731 1.00 0.00 ATOM 256 CE2 TYR 33 -1.090 10.189 9.498 1.00 0.00 ATOM 257 CZ TYR 33 -1.390 10.887 10.649 1.00 0.00 ATOM 258 OH TYR 33 -1.092 12.248 10.762 1.00 0.00 ATOM 259 O TYR 33 -5.134 7.768 9.261 1.00 0.00 ATOM 260 C TYR 33 -4.462 6.733 9.231 1.00 0.00 ATOM 261 N ILE 34 -4.379 5.963 8.144 1.00 0.00 ATOM 262 CA ILE 34 -5.127 6.321 6.944 1.00 0.00 ATOM 263 CB ILE 34 -4.614 5.420 5.748 1.00 0.00 ATOM 264 CG1 ILE 34 -3.130 5.701 5.471 1.00 0.00 ATOM 265 CG2 ILE 34 -5.361 5.717 4.451 1.00 0.00 ATOM 266 CD1 ILE 34 -2.470 4.829 4.416 1.00 0.00 ATOM 267 O ILE 34 -7.420 7.052 6.684 1.00 0.00 ATOM 268 C ILE 34 -6.642 6.217 7.177 1.00 0.00 ATOM 269 N ARG 35 -7.067 5.207 7.945 1.00 0.00 ATOM 270 CA ARG 35 -8.474 5.079 8.296 1.00 0.00 ATOM 271 CB ARG 35 -8.638 3.696 9.019 1.00 0.00 ATOM 272 CG ARG 35 -9.998 3.464 9.648 1.00 0.00 ATOM 273 CD ARG 35 -11.099 3.367 8.608 1.00 0.00 ATOM 274 NE ARG 35 -12.389 3.092 9.233 1.00 0.00 ATOM 275 CZ ARG 35 -13.521 2.891 8.565 1.00 0.00 ATOM 276 NH1 ARG 35 -13.529 2.936 7.240 1.00 0.00 ATOM 277 NH2 ARG 35 -14.642 2.637 9.224 1.00 0.00 ATOM 278 O ARG 35 -10.104 6.723 8.932 1.00 0.00 ATOM 279 C ARG 35 -8.976 6.282 9.111 1.00 0.00 ATOM 280 N LYS 36 -8.144 6.810 10.004 1.00 0.00 ATOM 281 CA LYS 36 -8.538 8.000 10.774 1.00 0.00 ATOM 282 CB LYS 36 -7.464 8.352 11.805 1.00 0.00 ATOM 283 CG LYS 36 -7.335 7.344 12.936 1.00 0.00 ATOM 284 CD LYS 36 -6.232 7.738 13.905 1.00 0.00 ATOM 285 CE LYS 36 -6.130 6.752 15.056 1.00 0.00 ATOM 286 NZ LYS 36 -5.034 7.110 15.999 1.00 0.00 ATOM 287 O LYS 36 -9.611 10.053 10.152 1.00 0.00 ATOM 288 C LYS 36 -8.819 9.166 9.833 1.00 0.00 ATOM 289 N HIS 37 -8.177 9.159 8.669 1.00 0.00 ATOM 290 CA HIS 37 -8.368 10.241 7.688 1.00 0.00 ATOM 291 CB HIS 37 -7.198 10.327 6.705 1.00 0.00 ATOM 292 CG HIS 37 -5.902 10.719 7.343 1.00 0.00 ATOM 293 CD2 HIS 37 -4.635 10.054 7.613 1.00 0.00 ATOM 294 ND1 HIS 37 -5.674 11.978 7.854 1.00 0.00 ATOM 295 CE1 HIS 37 -4.427 12.027 8.356 1.00 0.00 ATOM 296 NE2 HIS 37 -3.800 10.876 8.217 1.00 0.00 ATOM 297 O HIS 37 -9.964 10.917 6.022 1.00 0.00 ATOM 298 C HIS 37 -9.659 10.086 6.877 1.00 0.00 ATOM 299 N SER 38 -10.586 8.901 6.998 1.00 0.00 ATOM 300 CA SER 38 -11.785 8.758 6.181 1.00 0.00 ATOM 301 CB SER 38 -12.342 10.139 5.776 1.00 0.00 ATOM 302 OG SER 38 -11.464 10.779 4.865 1.00 0.00 ATOM 303 O SER 38 -12.636 7.601 4.264 1.00 0.00 ATOM 304 C SER 38 -11.673 7.802 5.004 1.00 0.00 ATOM 305 N LYS 39 -10.493 7.222 4.808 1.00 0.00 ATOM 306 CA LYS 39 -10.344 6.211 3.770 1.00 0.00 ATOM 307 CB LYS 39 -8.954 5.659 3.620 1.00 0.00 ATOM 308 CG LYS 39 -7.915 6.707 3.161 1.00 0.00 ATOM 309 CD LYS 39 -8.154 7.029 1.692 1.00 0.00 ATOM 310 CE LYS 39 -6.923 7.661 1.056 1.00 0.00 ATOM 311 NZ LYS 39 -7.210 9.054 0.600 1.00 0.00 ATOM 312 O LYS 39 -11.376 4.622 5.267 1.00 0.00 ATOM 313 C LYS 39 -11.115 4.936 4.098 1.00 0.00 ATOM 314 N VAL 40 -11.495 4.207 3.049 1.00 0.00 ATOM 315 CA VAL 40 -12.154 2.926 3.212 1.00 0.00 ATOM 316 CB VAL 40 -13.245 2.711 2.145 1.00 0.00 ATOM 317 CG1 VAL 40 -13.893 1.346 2.313 1.00 0.00 ATOM 318 CG2 VAL 40 -14.324 3.775 2.266 1.00 0.00 ATOM 319 O VAL 40 -10.430 1.748 2.030 1.00 0.00 ATOM 320 C VAL 40 -11.083 1.852 3.075 1.00 0.00 ATOM 321 N ASP 41 -10.872 1.083 4.144 1.00 0.00 ATOM 322 CA ASP 41 -9.724 0.182 4.222 1.00 0.00 ATOM 323 CB ASP 41 -9.038 0.306 5.584 1.00 0.00 ATOM 324 CG ASP 41 -8.308 1.624 5.750 1.00 0.00 ATOM 325 OD1 ASP 41 -8.153 2.348 4.745 1.00 0.00 ATOM 326 OD2 ASP 41 -7.892 1.933 6.887 1.00 0.00 ATOM 327 O ASP 41 -11.046 -1.785 4.690 1.00 0.00 ATOM 328 C ASP 41 -10.111 -1.278 4.038 1.00 0.00 ATOM 329 N LEU 42 -9.378 -1.942 3.149 1.00 0.00 ATOM 330 CA LEU 42 -9.540 -3.374 2.867 1.00 0.00 ATOM 331 CB LEU 42 -9.841 -3.601 1.384 1.00 0.00 ATOM 332 CG LEU 42 -11.112 -2.944 0.842 1.00 0.00 ATOM 333 CD1 LEU 42 -11.218 -3.140 -0.662 1.00 0.00 ATOM 334 CD2 LEU 42 -12.349 -3.549 1.488 1.00 0.00 ATOM 335 O LEU 42 -7.189 -3.767 2.689 1.00 0.00 ATOM 336 C LEU 42 -8.247 -4.068 3.241 1.00 0.00 ATOM 337 N VAL 43 -8.318 -4.989 4.192 1.00 0.00 ATOM 338 CA VAL 43 -7.141 -5.692 4.657 1.00 0.00 ATOM 339 CB VAL 43 -7.096 -5.762 6.195 1.00 0.00 ATOM 340 CG1 VAL 43 -5.885 -6.559 6.656 1.00 0.00 ATOM 341 CG2 VAL 43 -7.008 -4.365 6.790 1.00 0.00 ATOM 342 O VAL 43 -8.119 -7.819 4.069 1.00 0.00 ATOM 343 C VAL 43 -7.088 -7.119 4.157 1.00 0.00 ATOM 344 N LEU 44 -5.897 -7.558 3.799 1.00 0.00 ATOM 345 CA LEU 44 -5.704 -8.952 3.435 1.00 0.00 ATOM 346 CB LEU 44 -5.315 -9.064 1.966 1.00 0.00 ATOM 347 CG LEU 44 -5.054 -10.476 1.430 1.00 0.00 ATOM 348 CD1 LEU 44 -5.368 -10.546 -0.076 1.00 0.00 ATOM 349 CD2 LEU 44 -3.639 -11.010 1.735 1.00 0.00 ATOM 350 O LEU 44 -3.587 -8.792 4.466 1.00 0.00 ATOM 351 C LEU 44 -4.589 -9.461 4.315 1.00 0.00 ATOM 352 N THR 45 -4.787 -10.606 4.963 1.00 0.00 ATOM 353 CA THR 45 -3.710 -11.142 5.789 1.00 0.00 ATOM 354 CB THR 45 -3.824 -10.659 7.248 1.00 0.00 ATOM 355 CG2 THR 45 -5.019 -11.306 7.931 1.00 0.00 ATOM 356 OG1 THR 45 -2.634 -11.010 7.964 1.00 0.00 ATOM 357 O THR 45 -4.661 -13.249 5.159 1.00 0.00 ATOM 358 C THR 45 -3.759 -12.652 5.754 1.00 0.00 ATOM 359 N ASP 46 -2.774 -13.256 6.403 1.00 0.00 ATOM 360 CA ASP 46 -2.632 -14.711 6.427 1.00 0.00 ATOM 361 CB ASP 46 -1.270 -15.113 7.000 1.00 0.00 ATOM 362 CG ASP 46 -0.130 -14.835 6.040 1.00 0.00 ATOM 363 OD1 ASP 46 -0.405 -14.567 4.852 1.00 0.00 ATOM 364 OD2 ASP 46 1.039 -14.886 6.477 1.00 0.00 ATOM 365 O ASP 46 -4.296 -16.410 6.833 1.00 0.00 ATOM 366 C ASP 46 -3.695 -15.417 7.280 1.00 0.00 ATOM 367 N ILE 47 -3.738 -14.910 8.612 1.00 0.00 ATOM 368 CA ILE 47 -4.555 -15.653 9.577 1.00 0.00 ATOM 369 CB ILE 47 -3.904 -15.653 10.972 1.00 0.00 ATOM 370 CG1 ILE 47 -2.547 -16.358 10.928 1.00 0.00 ATOM 371 CG2 ILE 47 -4.791 -16.377 11.974 1.00 0.00 ATOM 372 CD1 ILE 47 -1.725 -16.178 12.185 1.00 0.00 ATOM 373 O ILE 47 -6.138 -13.833 9.760 1.00 0.00 ATOM 374 C ILE 47 -5.940 -15.069 9.736 1.00 0.00 ATOM 375 N LYS 48 -6.952 -16.019 9.940 1.00 0.00 ATOM 376 CA LYS 48 -8.322 -15.618 10.102 1.00 0.00 ATOM 377 CB LYS 48 -9.226 -16.842 10.253 1.00 0.00 ATOM 378 CG LYS 48 -9.384 -17.659 8.981 1.00 0.00 ATOM 379 CD LYS 48 -10.294 -18.856 9.203 1.00 0.00 ATOM 380 CE LYS 48 -10.431 -19.685 7.938 1.00 0.00 ATOM 381 NZ LYS 48 -11.294 -20.881 8.149 1.00 0.00 ATOM 382 O LYS 48 -9.182 -13.720 11.277 1.00 0.00 ATOM 383 C LYS 48 -8.491 -14.733 11.338 1.00 0.00 ATOM 384 N PRO 49 -7.870 -15.112 12.454 1.00 0.00 ATOM 385 CA PRO 49 -8.039 -14.345 13.696 1.00 0.00 ATOM 386 CB PRO 49 -7.222 -15.114 14.710 1.00 0.00 ATOM 387 CG PRO 49 -7.349 -16.523 14.227 1.00 0.00 ATOM 388 CD PRO 49 -7.145 -16.371 12.739 1.00 0.00 ATOM 389 O PRO 49 -8.103 -11.962 14.117 1.00 0.00 ATOM 390 C PRO 49 -7.540 -12.893 13.537 1.00 0.00 ATOM 391 N SER 50 -6.489 -12.714 12.738 1.00 0.00 ATOM 392 CA SER 50 -5.897 -11.387 12.505 1.00 0.00 ATOM 393 CB SER 50 -4.765 -11.479 11.479 1.00 0.00 ATOM 394 OG SER 50 -3.668 -12.213 11.994 1.00 0.00 ATOM 395 O SER 50 -6.957 -9.266 12.265 1.00 0.00 ATOM 396 C SER 50 -6.861 -10.448 11.914 1.00 0.00 ATOM 397 N HIS 51 -7.706 -10.847 10.908 1.00 0.00 ATOM 398 CA HIS 51 -8.682 -9.983 10.321 1.00 0.00 ATOM 399 CB HIS 51 -9.453 -10.744 9.241 1.00 0.00 ATOM 400 CG HIS 51 -8.629 -11.088 8.039 1.00 0.00 ATOM 401 CD2 HIS 51 -7.337 -10.672 7.513 1.00 0.00 ATOM 402 ND1 HIS 51 -9.038 -12.001 7.092 1.00 0.00 ATOM 403 CE1 HIS 51 -8.094 -12.096 6.139 1.00 0.00 ATOM 404 NE2 HIS 51 -7.071 -11.302 6.385 1.00 0.00 ATOM 405 O HIS 51 -10.000 -8.258 11.364 1.00 0.00 ATOM 406 C HIS 51 -9.683 -9.449 11.340 1.00 0.00 ATOM 407 N GLY 52 -10.121 -10.306 12.243 1.00 0.00 ATOM 408 CA GLY 52 -11.070 -9.913 13.287 1.00 0.00 ATOM 409 O GLY 52 -11.503 -8.034 14.709 1.00 0.00 ATOM 410 C GLY 52 -10.656 -8.744 14.174 1.00 0.00 ATOM 411 N GLY 53 -9.360 -8.541 14.364 1.00 0.00 ATOM 412 CA GLY 53 -8.885 -7.476 15.219 1.00 0.00 ATOM 413 O GLY 53 -8.038 -5.236 15.178 1.00 0.00 ATOM 414 C GLY 53 -8.535 -6.176 14.526 1.00 0.00 ATOM 415 N ILE 54 -8.696 -6.268 13.060 1.00 0.00 ATOM 416 CA ILE 54 -8.296 -5.055 12.338 1.00 0.00 ATOM 417 CB ILE 54 -8.395 -5.204 10.859 1.00 0.00 ATOM 418 CG1 ILE 54 -7.686 -6.428 10.329 1.00 0.00 ATOM 419 CG2 ILE 54 -7.888 -3.959 10.155 1.00 0.00 ATOM 420 CD1 ILE 54 -6.168 -6.584 10.697 1.00 0.00 ATOM 421 O ILE 54 -8.485 -2.770 13.055 1.00 0.00 ATOM 422 C ILE 54 -9.068 -3.829 12.826 1.00 0.00 ATOM 423 N VAL 55 -10.379 -3.977 13.003 1.00 0.00 ATOM 424 CA VAL 55 -11.205 -2.869 13.473 1.00 0.00 ATOM 425 CB VAL 55 -12.706 -3.245 13.452 1.00 0.00 ATOM 426 CG1 VAL 55 -13.529 -2.161 14.132 1.00 0.00 ATOM 427 CG2 VAL 55 -13.164 -3.427 12.004 1.00 0.00 ATOM 428 O VAL 55 -10.753 -1.271 15.223 1.00 0.00 ATOM 429 C VAL 55 -10.810 -2.456 14.890 1.00 0.00 ATOM 430 N ARG 56 -9.923 -0.755 12.260 1.00 0.00 ATOM 431 CA ARG 56 -8.695 -0.529 11.483 1.00 0.00 ATOM 432 CB ARG 56 -7.650 -1.601 11.970 1.00 0.00 ATOM 433 CG ARG 56 -6.942 -1.259 13.250 1.00 0.00 ATOM 434 CD ARG 56 -6.172 -2.458 13.784 1.00 0.00 ATOM 435 NE ARG 56 -6.017 -2.420 15.235 1.00 0.00 ATOM 436 CZ ARG 56 -5.369 -3.344 15.937 1.00 0.00 ATOM 437 NH1 ARG 56 -4.811 -4.384 15.318 1.00 0.00 ATOM 438 NH2 ARG 56 -5.273 -3.226 17.256 1.00 0.00 ATOM 439 O ARG 56 -8.215 0.144 9.240 1.00 0.00 ATOM 440 C ARG 56 -8.943 -0.532 9.982 1.00 0.00 ATOM 441 N ASP 57 -9.903 -1.351 9.546 1.00 0.00 ATOM 442 CA ASP 57 -10.363 -1.403 8.149 1.00 0.00 ATOM 443 CB ASP 57 -9.801 -2.640 7.445 1.00 0.00 ATOM 444 CG ASP 57 -10.320 -3.935 8.042 1.00 0.00 ATOM 445 OD1 ASP 57 -11.541 -4.183 7.954 1.00 0.00 ATOM 446 OD2 ASP 57 -9.505 -4.701 8.599 1.00 0.00 ATOM 447 O ASP 57 -12.548 -1.807 9.043 1.00 0.00 ATOM 448 C ASP 57 -11.884 -1.469 8.061 1.00 0.00 ATOM 449 N ASP 58 -12.434 -1.154 6.889 1.00 0.00 ATOM 450 CA ASP 58 -13.851 -1.368 6.656 1.00 0.00 ATOM 451 CB ASP 58 -14.320 -0.417 5.507 1.00 0.00 ATOM 452 CG ASP 58 -15.790 -0.556 5.213 1.00 0.00 ATOM 453 OD1 ASP 58 -16.604 0.073 5.917 1.00 0.00 ATOM 454 OD2 ASP 58 -16.133 -1.330 4.302 1.00 0.00 ATOM 455 O ASP 58 -15.228 -3.336 6.849 1.00 0.00 ATOM 456 C ASP 58 -14.192 -2.832 6.391 1.00 0.00 ATOM 457 N ILE 59 -13.312 -3.516 5.679 1.00 0.00 ATOM 458 CA ILE 59 -13.514 -4.905 5.374 1.00 0.00 ATOM 459 CB ILE 59 -14.241 -5.088 4.029 1.00 0.00 ATOM 460 CG1 ILE 59 -14.646 -6.552 3.837 1.00 0.00 ATOM 461 CG2 ILE 59 -13.336 -4.685 2.875 1.00 0.00 ATOM 462 CD1 ILE 59 -15.641 -6.767 2.716 1.00 0.00 ATOM 463 O ILE 59 -11.182 -4.982 5.004 1.00 0.00 ATOM 464 C ILE 59 -12.184 -5.608 5.292 1.00 0.00 ATOM 465 N THR 60 -12.184 -6.912 5.541 1.00 0.00 ATOM 466 CA THR 60 -10.945 -7.676 5.498 1.00 0.00 ATOM 467 CB THR 60 -10.206 -7.629 6.848 1.00 0.00 ATOM 468 CG2 THR 60 -11.020 -8.328 7.926 1.00 0.00 ATOM 469 OG1 THR 60 -8.939 -8.286 6.726 1.00 0.00 ATOM 470 O THR 60 -12.280 -9.678 5.455 1.00 0.00 ATOM 471 C THR 60 -11.212 -9.129 5.156 1.00 0.00 ATOM 472 N SER 61 -10.236 -9.756 4.526 1.00 0.00 ATOM 473 CA SER 61 -10.343 -11.163 4.186 1.00 0.00 ATOM 474 CB SER 61 -11.394 -11.385 3.097 1.00 0.00 ATOM 475 OG SER 61 -10.962 -10.856 1.855 1.00 0.00 ATOM 476 O SER 61 -8.024 -10.917 3.661 1.00 0.00 ATOM 477 C SER 61 -9.015 -11.648 3.665 1.00 0.00 ATOM 478 N PRO 62 -9.013 -12.899 3.219 1.00 0.00 ATOM 479 CA PRO 62 -7.786 -13.573 2.838 1.00 0.00 ATOM 480 CB PRO 62 -8.005 -15.010 3.318 1.00 0.00 ATOM 481 CG PRO 62 -9.457 -15.263 3.090 1.00 0.00 ATOM 482 CD PRO 62 -10.160 -13.973 3.407 1.00 0.00 ATOM 483 O PRO 62 -6.444 -13.962 0.881 1.00 0.00 ATOM 484 C PRO 62 -7.523 -13.557 1.322 1.00 0.00 ATOM 485 N ARG 63 -8.511 -13.110 0.542 1.00 0.00 ATOM 486 CA ARG 63 -8.464 -13.193 -0.925 1.00 0.00 ATOM 487 CB ARG 63 -9.840 -13.537 -1.496 1.00 0.00 ATOM 488 CG ARG 63 -9.847 -13.775 -2.997 1.00 0.00 ATOM 489 CD ARG 63 -11.212 -14.248 -3.475 1.00 0.00 ATOM 490 NE ARG 63 -12.232 -13.214 -3.327 1.00 0.00 ATOM 491 CZ ARG 63 -13.527 -13.405 -3.557 1.00 0.00 ATOM 492 NH1 ARG 63 -14.384 -12.406 -3.395 1.00 0.00 ATOM 493 NH2 ARG 63 -13.963 -14.595 -3.946 1.00 0.00 ATOM 494 O ARG 63 -8.608 -10.834 -1.231 1.00 0.00 ATOM 495 C ARG 63 -8.021 -11.864 -1.522 1.00 0.00 ATOM 496 N MET 64 -7.007 -11.898 -2.380 1.00 0.00 ATOM 497 CA MET 64 -6.533 -10.682 -3.049 1.00 0.00 ATOM 498 CB MET 64 -5.265 -10.972 -3.855 1.00 0.00 ATOM 499 CG MET 64 -4.050 -11.301 -3.003 1.00 0.00 ATOM 500 SD MET 64 -2.587 -11.668 -3.991 1.00 0.00 ATOM 501 CE MET 64 -1.370 -11.941 -2.706 1.00 0.00 ATOM 502 O MET 64 -7.560 -8.856 -4.236 1.00 0.00 ATOM 503 C MET 64 -7.589 -10.046 -3.965 1.00 0.00 ATOM 504 N GLU 65 -8.588 -10.790 -4.645 1.00 0.00 ATOM 505 CA GLU 65 -9.643 -10.221 -5.496 1.00 0.00 ATOM 506 CB GLU 65 -10.653 -11.308 -5.872 1.00 0.00 ATOM 507 CG GLU 65 -10.118 -12.339 -6.854 1.00 0.00 ATOM 508 CD GLU 65 -11.114 -13.447 -7.134 1.00 0.00 ATOM 509 OE1 GLU 65 -12.186 -13.458 -6.494 1.00 0.00 ATOM 510 OE2 GLU 65 -10.822 -14.306 -7.992 1.00 0.00 ATOM 511 O GLU 65 -10.939 -8.191 -5.462 1.00 0.00 ATOM 512 C GLU 65 -10.389 -9.069 -4.802 1.00 0.00 ATOM 513 N ILE 66 -10.384 -9.048 -3.473 1.00 0.00 ATOM 514 CA ILE 66 -11.043 -7.948 -2.743 1.00 0.00 ATOM 515 CB ILE 66 -10.904 -8.119 -1.219 1.00 0.00 ATOM 516 CG1 ILE 66 -11.928 -7.249 -0.489 1.00 0.00 ATOM 517 CG2 ILE 66 -9.511 -7.707 -0.763 1.00 0.00 ATOM 518 CD1 ILE 66 -12.077 -7.583 0.980 1.00 0.00 ATOM 519 O ILE 66 -11.099 -5.550 -2.923 1.00 0.00 ATOM 520 C ILE 66 -10.462 -6.584 -3.110 1.00 0.00 ATOM 521 N TYR 67 -9.234 -6.587 -3.619 1.00 0.00 ATOM 522 CA TYR 67 -8.532 -5.352 -3.942 1.00 0.00 ATOM 523 CB TYR 67 -6.989 -5.826 -3.122 1.00 0.00 ATOM 524 CG TYR 67 -6.152 -6.461 -4.217 1.00 0.00 ATOM 525 CD1 TYR 67 -5.571 -5.688 -5.229 1.00 0.00 ATOM 526 CD2 TYR 67 -5.912 -7.836 -4.223 1.00 0.00 ATOM 527 CE1 TYR 67 -4.768 -6.274 -6.217 1.00 0.00 ATOM 528 CE2 TYR 67 -5.112 -8.432 -5.209 1.00 0.00 ATOM 529 CZ TYR 67 -4.546 -7.645 -6.200 1.00 0.00 ATOM 530 OH TYR 67 -3.767 -8.233 -7.176 1.00 0.00 ATOM 531 O TYR 67 -8.065 -3.894 -5.773 1.00 0.00 ATOM 532 C TYR 67 -8.730 -4.836 -5.360 1.00 0.00 ATOM 533 N ARG 68 -9.620 -5.468 -6.113 1.00 0.00 ATOM 534 CA ARG 68 -9.781 -5.151 -7.542 1.00 0.00 ATOM 535 CB ARG 68 -10.930 -5.961 -8.145 1.00 0.00 ATOM 536 CG ARG 68 -10.641 -7.450 -8.269 1.00 0.00 ATOM 537 CD ARG 68 -11.845 -8.201 -8.815 1.00 0.00 ATOM 538 NE ARG 68 -11.611 -9.642 -8.869 1.00 0.00 ATOM 539 CZ ARG 68 -12.564 -10.547 -9.068 1.00 0.00 ATOM 540 NH1 ARG 68 -12.258 -11.836 -9.103 1.00 0.00 ATOM 541 NH2 ARG 68 -13.821 -10.160 -9.235 1.00 0.00 ATOM 542 O ARG 68 -9.429 -3.106 -8.708 1.00 0.00 ATOM 543 C ARG 68 -9.985 -3.669 -7.743 1.00 0.00 ATOM 544 N GLY 69 -10.767 -3.004 -6.887 1.00 0.00 ATOM 545 CA GLY 69 -11.053 -1.607 -7.143 1.00 0.00 ATOM 546 O GLY 69 -10.665 0.581 -6.252 1.00 0.00 ATOM 547 C GLY 69 -10.348 -0.612 -6.235 1.00 0.00 ATOM 548 N ALA 70 -9.417 -1.096 -5.415 1.00 0.00 ATOM 549 CA ALA 70 -8.564 -0.221 -4.604 1.00 0.00 ATOM 550 CB ALA 70 -7.616 -1.048 -3.750 1.00 0.00 ATOM 551 O ALA 70 -7.167 0.221 -6.506 1.00 0.00 ATOM 552 C ALA 70 -7.737 0.695 -5.523 1.00 0.00 ATOM 553 N ALA 71 -7.573 1.970 -5.167 1.00 0.00 ATOM 554 CA ALA 71 -6.734 2.868 -6.010 1.00 0.00 ATOM 555 CB ALA 71 -7.335 4.219 -6.117 1.00 0.00 ATOM 556 O ALA 71 -4.420 3.225 -6.295 1.00 0.00 ATOM 557 C ALA 71 -5.312 2.912 -5.527 1.00 0.00 ATOM 558 N LEU 72 -5.084 2.531 -4.276 1.00 0.00 ATOM 559 CA LEU 72 -3.767 2.503 -3.647 1.00 0.00 ATOM 560 CB LEU 72 -3.459 3.692 -2.736 1.00 0.00 ATOM 561 CG LEU 72 -3.437 5.070 -3.403 1.00 0.00 ATOM 562 CD1 LEU 72 -3.305 6.170 -2.361 1.00 0.00 ATOM 563 CD2 LEU 72 -2.265 5.181 -4.364 1.00 0.00 ATOM 564 O LEU 72 -4.579 1.029 -1.986 1.00 0.00 ATOM 565 C LEU 72 -3.657 1.274 -2.761 1.00 0.00 ATOM 566 N ILE 73 -2.414 0.574 -2.706 1.00 0.00 ATOM 567 CA ILE 73 -2.240 -0.581 -1.808 1.00 0.00 ATOM 568 CB ILE 73 -2.261 -1.895 -2.599 1.00 0.00 ATOM 569 CG1 ILE 73 -3.625 -2.076 -3.266 1.00 0.00 ATOM 570 CG2 ILE 73 -1.956 -3.062 -1.668 1.00 0.00 ATOM 571 CD1 ILE 73 -3.664 -3.191 -4.291 1.00 0.00 ATOM 572 O ILE 73 0.139 -0.337 -1.824 1.00 0.00 ATOM 573 C ILE 73 -0.885 -0.524 -1.140 1.00 0.00 ATOM 574 N TYR 74 -0.871 -0.704 0.181 1.00 0.00 ATOM 575 CA TYR 74 0.364 -0.703 0.968 1.00 0.00 ATOM 576 CB TYR 74 -0.034 0.117 2.250 1.00 0.00 ATOM 577 CG TYR 74 -0.446 1.573 1.936 1.00 0.00 ATOM 578 CD1 TYR 74 -1.760 1.919 1.620 1.00 0.00 ATOM 579 CD2 TYR 74 0.532 2.565 2.050 1.00 0.00 ATOM 580 CE1 TYR 74 -2.056 3.252 1.335 1.00 0.00 ATOM 581 CE2 TYR 74 0.254 3.913 1.805 1.00 0.00 ATOM 582 CZ TYR 74 -1.051 4.205 1.459 1.00 0.00 ATOM 583 OH TYR 74 -1.435 5.492 1.190 1.00 0.00 ATOM 584 O TYR 74 -0.051 -2.889 1.957 1.00 0.00 ATOM 585 C TYR 74 0.728 -2.139 1.342 1.00 0.00 ATOM 586 N SER 75 1.931 -2.583 0.932 1.00 0.00 ATOM 587 CA SER 75 2.427 -3.918 1.239 1.00 0.00 ATOM 588 CB SER 75 3.366 -4.410 0.138 1.00 0.00 ATOM 589 OG SER 75 3.948 -5.656 0.480 1.00 0.00 ATOM 590 O SER 75 4.255 -3.233 2.633 1.00 0.00 ATOM 591 C SER 75 3.189 -3.877 2.547 1.00 0.00 ATOM 592 N ILE 76 2.643 -4.540 3.574 1.00 0.00 ATOM 593 CA ILE 76 3.192 -4.431 4.945 1.00 0.00 ATOM 594 CB ILE 76 2.229 -3.676 5.881 1.00 0.00 ATOM 595 CG1 ILE 76 0.888 -4.406 5.967 1.00 0.00 ATOM 596 CG2 ILE 76 1.979 -2.267 5.364 1.00 0.00 ATOM 597 CD1 ILE 76 -0.025 -3.881 7.055 1.00 0.00 ATOM 598 O ILE 76 4.082 -5.816 6.665 1.00 0.00 ATOM 599 C ILE 76 3.679 -5.753 5.508 1.00 0.00 ATOM 600 N ARG 77 3.693 -6.817 4.745 1.00 0.00 ATOM 601 CA ARG 77 4.052 -8.144 5.239 1.00 0.00 ATOM 602 CB ARG 77 3.896 -9.165 4.110 1.00 0.00 ATOM 603 CG ARG 77 2.457 -9.404 3.684 1.00 0.00 ATOM 604 CD ARG 77 2.373 -10.437 2.574 1.00 0.00 ATOM 605 NE ARG 77 0.992 -10.721 2.192 1.00 0.00 ATOM 606 CZ ARG 77 0.642 -11.580 1.240 1.00 0.00 ATOM 607 NH1 ARG 77 -0.641 -11.772 0.961 1.00 0.00 ATOM 608 NH2 ARG 77 1.574 -12.242 0.569 1.00 0.00 ATOM 609 O ARG 77 6.225 -7.160 5.461 1.00 0.00 ATOM 610 C ARG 77 5.510 -8.139 5.695 1.00 0.00 ATOM 611 N PRO 78 6.012 -9.318 6.300 1.00 0.00 ATOM 612 CA PRO 78 7.463 -9.437 6.482 1.00 0.00 ATOM 613 CB PRO 78 7.645 -10.900 6.846 1.00 0.00 ATOM 614 CG PRO 78 6.314 -11.348 7.437 1.00 0.00 ATOM 615 CD PRO 78 5.315 -10.556 6.688 1.00 0.00 ATOM 616 O PRO 78 7.575 -9.376 4.074 1.00 0.00 ATOM 617 C PRO 78 8.184 -9.199 5.138 1.00 0.00 ATOM 618 N PRO 79 9.447 -8.785 5.181 1.00 0.00 ATOM 619 CA PRO 79 10.219 -8.435 3.980 1.00 0.00 ATOM 620 CB PRO 79 11.650 -8.270 4.498 1.00 0.00 ATOM 621 CG PRO 79 11.487 -7.775 5.896 1.00 0.00 ATOM 622 CD PRO 79 10.334 -8.544 6.478 1.00 0.00 ATOM 623 O PRO 79 10.090 -9.254 1.725 1.00 0.00 ATOM 624 C PRO 79 10.224 -9.538 2.916 1.00 0.00 ATOM 625 N ALA 80 10.383 -10.815 3.317 1.00 0.00 ATOM 626 CA ALA 80 10.411 -11.927 2.373 1.00 0.00 ATOM 627 CB ALA 80 10.920 -13.177 3.077 1.00 0.00 ATOM 628 O ALA 80 9.054 -12.777 0.548 1.00 0.00 ATOM 629 C ALA 80 9.077 -12.180 1.640 1.00 0.00 ATOM 630 N GLU 81 7.966 -11.761 2.262 1.00 0.00 ATOM 631 CA GLU 81 6.646 -11.901 1.640 1.00 0.00 ATOM 632 CB GLU 81 5.601 -12.041 2.748 1.00 0.00 ATOM 633 CG GLU 81 5.800 -13.257 3.640 1.00 0.00 ATOM 634 CD GLU 81 4.755 -13.354 4.735 1.00 0.00 ATOM 635 OE1 GLU 81 3.919 -12.432 4.840 1.00 0.00 ATOM 636 OE2 GLU 81 4.773 -14.349 5.486 1.00 0.00 ATOM 637 O GLU 81 5.155 -10.871 0.074 1.00 0.00 ATOM 638 C GLU 81 6.181 -10.751 0.739 1.00 0.00 ATOM 639 N ILE 82 6.939 -9.665 0.691 1.00 0.00 ATOM 640 CA ILE 82 6.501 -8.488 -0.079 1.00 0.00 ATOM 641 CB ILE 82 7.519 -7.336 0.023 1.00 0.00 ATOM 642 CG1 ILE 82 7.567 -6.792 1.452 1.00 0.00 ATOM 643 CG2 ILE 82 7.134 -6.201 -0.913 1.00 0.00 ATOM 644 CD1 ILE 82 8.733 -5.865 1.714 1.00 0.00 ATOM 645 O ILE 82 5.268 -8.612 -2.147 1.00 0.00 ATOM 646 C ILE 82 6.342 -8.837 -1.564 1.00 0.00 ATOM 647 N HIS 83 7.472 -9.436 -2.111 1.00 0.00 ATOM 648 CA HIS 83 7.436 -9.705 -3.541 1.00 0.00 ATOM 649 CB HIS 83 8.831 -10.069 -4.053 1.00 0.00 ATOM 650 CG HIS 83 8.874 -10.390 -5.515 1.00 0.00 ATOM 651 CD2 HIS 83 9.042 -11.599 -6.307 1.00 0.00 ATOM 652 ND1 HIS 83 8.737 -9.428 -6.493 1.00 0.00 ATOM 653 CE1 HIS 83 8.818 -10.017 -7.699 1.00 0.00 ATOM 654 NE2 HIS 83 9.002 -11.320 -7.596 1.00 0.00 ATOM 655 O HIS 83 5.839 -10.786 -4.937 1.00 0.00 ATOM 656 C HIS 83 6.513 -10.866 -3.918 1.00 0.00 ATOM 657 N SER 84 6.550 -11.994 -3.174 1.00 0.00 ATOM 658 CA SER 84 5.573 -13.060 -3.484 1.00 0.00 ATOM 659 CB SER 84 5.718 -14.221 -2.499 1.00 0.00 ATOM 660 OG SER 84 6.966 -14.874 -2.660 1.00 0.00 ATOM 661 O SER 84 3.295 -12.931 -4.234 1.00 0.00 ATOM 662 C SER 84 4.116 -12.571 -3.398 1.00 0.00 ATOM 663 N SER 85 3.816 -11.718 -2.426 1.00 0.00 ATOM 664 CA SER 85 2.477 -11.144 -2.316 1.00 0.00 ATOM 665 CB SER 85 2.356 -10.307 -1.039 1.00 0.00 ATOM 666 OG SER 85 1.069 -9.728 -0.929 1.00 0.00 ATOM 667 O SER 85 1.097 -10.316 -4.092 1.00 0.00 ATOM 668 C SER 85 2.176 -10.239 -3.515 1.00 0.00 ATOM 669 N LEU 86 3.106 -9.380 -3.884 1.00 0.00 ATOM 670 CA LEU 86 2.912 -8.526 -5.061 1.00 0.00 ATOM 671 CB LEU 86 4.162 -7.685 -5.325 1.00 0.00 ATOM 672 CG LEU 86 4.465 -6.583 -4.306 1.00 0.00 ATOM 673 CD1 LEU 86 5.820 -5.951 -4.586 1.00 0.00 ATOM 674 CD2 LEU 86 3.409 -5.490 -4.368 1.00 0.00 ATOM 675 O LEU 86 1.872 -8.959 -7.176 1.00 0.00 ATOM 676 C LEU 86 2.688 -9.335 -6.339 1.00 0.00 ATOM 677 N MET 87 3.403 -10.447 -6.496 1.00 0.00 ATOM 678 CA MET 87 3.236 -11.289 -7.679 1.00 0.00 ATOM 679 CB MET 87 4.202 -12.474 -7.606 1.00 0.00 ATOM 680 CG MET 87 5.661 -12.098 -7.801 1.00 0.00 ATOM 681 SD MET 87 5.981 -11.362 -9.416 1.00 0.00 ATOM 682 CE MET 87 5.727 -12.775 -10.487 1.00 0.00 ATOM 683 O MET 87 1.135 -11.766 -8.757 1.00 0.00 ATOM 684 C MET 87 1.799 -11.810 -7.719 1.00 0.00 ATOM 685 N ARG 88 1.287 -12.295 -6.581 1.00 0.00 ATOM 686 CA ARG 88 -0.076 -12.800 -6.489 1.00 0.00 ATOM 687 CB ARG 88 -0.261 -13.529 -5.100 1.00 0.00 ATOM 688 CG ARG 88 0.530 -14.803 -4.906 1.00 0.00 ATOM 689 CD ARG 88 -0.026 -15.598 -3.727 1.00 0.00 ATOM 690 NE ARG 88 0.649 -16.884 -3.565 1.00 0.00 ATOM 691 CZ ARG 88 1.833 -17.043 -2.984 1.00 0.00 ATOM 692 NH1 ARG 88 2.482 -15.994 -2.496 1.00 0.00 ATOM 693 NH2 ARG 88 2.371 -18.250 -2.894 1.00 0.00 ATOM 694 O ARG 88 -2.207 -11.929 -7.237 1.00 0.00 ATOM 695 C ARG 88 -1.118 -11.691 -6.703 1.00 0.00 ATOM 696 N VAL 89 -0.771 -10.478 -6.286 1.00 0.00 ATOM 697 CA VAL 89 -1.684 -9.334 -6.308 1.00 0.00 ATOM 698 CB VAL 89 -1.076 -8.247 -5.314 1.00 0.00 ATOM 699 CG1 VAL 89 -1.625 -6.876 -5.657 1.00 0.00 ATOM 700 CG2 VAL 89 -1.394 -8.601 -3.868 1.00 0.00 ATOM 701 O VAL 89 -3.002 -8.171 -7.935 1.00 0.00 ATOM 702 C VAL 89 -1.927 -8.745 -7.696 1.00 0.00 ATOM 703 N ALA 90 -0.905 -8.832 -8.561 1.00 0.00 ATOM 704 CA ALA 90 -0.883 -8.140 -9.875 1.00 0.00 ATOM 705 CB ALA 90 0.224 -8.703 -10.751 1.00 0.00 ATOM 706 O ALA 90 -2.729 -7.318 -11.161 1.00 0.00 ATOM 707 C ALA 90 -2.194 -8.305 -10.662 1.00 0.00 ATOM 708 N ASP 91 -2.645 -9.549 -10.858 1.00 0.00 ATOM 709 CA ASP 91 -3.822 -9.692 -11.722 1.00 0.00 ATOM 710 CB ASP 91 -4.076 -11.167 -12.043 1.00 0.00 ATOM 711 CG ASP 91 -3.058 -11.738 -13.008 1.00 0.00 ATOM 712 OD1 ASP 91 -2.309 -10.946 -13.620 1.00 0.00 ATOM 713 OD2 ASP 91 -3.007 -12.977 -13.155 1.00 0.00 ATOM 714 O ASP 91 -6.019 -8.754 -11.915 1.00 0.00 ATOM 715 C ASP 91 -5.101 -9.081 -11.160 1.00 0.00 ATOM 716 N ALA 92 -5.186 -8.917 -9.830 1.00 0.00 ATOM 717 CA ALA 92 -6.363 -8.359 -9.174 1.00 0.00 ATOM 718 CB ALA 92 -6.604 -9.111 -7.862 1.00 0.00 ATOM 719 O ALA 92 -7.443 -6.233 -8.796 1.00 0.00 ATOM 720 C ALA 92 -6.428 -6.828 -9.205 1.00 0.00 ATOM 721 N VAL 93 -5.259 -6.215 -9.665 1.00 0.00 ATOM 722 CA VAL 93 -5.145 -4.761 -9.543 1.00 0.00 ATOM 723 CB VAL 93 -3.681 -4.307 -9.686 1.00 0.00 ATOM 724 CG1 VAL 93 -3.601 -2.792 -9.798 1.00 0.00 ATOM 725 CG2 VAL 93 -2.867 -4.744 -8.477 1.00 0.00 ATOM 726 O VAL 93 -5.877 -4.371 -11.796 1.00 0.00 ATOM 727 C VAL 93 -5.892 -4.012 -10.624 1.00 0.00 ATOM 728 N GLY 94 -6.518 -2.927 -10.192 1.00 0.00 ATOM 729 CA GLY 94 -6.991 -1.904 -11.101 1.00 0.00 ATOM 730 O GLY 94 -4.713 -1.194 -11.231 1.00 0.00 ATOM 731 C GLY 94 -5.768 -1.346 -11.838 1.00 0.00 ATOM 732 N ALA 95 -5.872 -1.033 -13.213 1.00 0.00 ATOM 733 CA ALA 95 -4.745 -0.533 -14.009 1.00 0.00 ATOM 734 CB ALA 95 -5.197 -0.210 -15.426 1.00 0.00 ATOM 735 O ALA 95 -2.888 0.940 -13.650 1.00 0.00 ATOM 736 C ALA 95 -4.087 0.733 -13.454 1.00 0.00 ATOM 737 N ARG 96 -4.871 1.581 -12.799 1.00 0.00 ATOM 738 CA ARG 96 -4.365 2.857 -12.293 1.00 0.00 ATOM 739 CB ARG 96 -5.006 3.959 -13.276 1.00 0.00 ATOM 740 CG ARG 96 -4.528 5.383 -13.008 1.00 0.00 ATOM 741 CD ARG 96 -3.008 5.478 -13.100 1.00 0.00 ATOM 742 NE ARG 96 -2.505 6.790 -12.705 1.00 0.00 ATOM 743 CZ ARG 96 -2.185 7.131 -11.460 1.00 0.00 ATOM 744 NH1 ARG 96 -2.311 6.255 -10.473 1.00 0.00 ATOM 745 NH2 ARG 96 -1.730 8.350 -11.198 1.00 0.00 ATOM 746 O ARG 96 -3.692 3.805 -10.208 1.00 0.00 ATOM 747 C ARG 96 -3.949 2.792 -10.837 1.00 0.00 ATOM 748 N LEU 97 -3.858 1.498 -10.320 1.00 0.00 ATOM 749 CA LEU 97 -3.570 1.332 -8.911 1.00 0.00 ATOM 750 CB LEU 97 -3.661 -0.162 -8.548 1.00 0.00 ATOM 751 CG LEU 97 -3.148 -0.497 -7.140 1.00 0.00 ATOM 752 CD1 LEU 97 -4.189 -0.071 -6.153 1.00 0.00 ATOM 753 CD2 LEU 97 -2.841 -1.989 -7.016 1.00 0.00 ATOM 754 O LEU 97 -1.191 1.320 -9.321 1.00 0.00 ATOM 755 C LEU 97 -2.119 1.722 -8.605 1.00 0.00 ATOM 756 N ILE 98 -1.936 2.458 -7.513 1.00 0.00 ATOM 757 CA ILE 98 -0.594 2.793 -7.002 1.00 0.00 ATOM 758 CB ILE 98 -0.572 4.188 -6.351 1.00 0.00 ATOM 759 CG1 ILE 98 -0.934 5.262 -7.378 1.00 0.00 ATOM 760 CG2 ILE 98 0.810 4.497 -5.799 1.00 0.00 ATOM 761 CD1 ILE 98 -1.174 6.629 -6.775 1.00 0.00 ATOM 762 O ILE 98 -1.060 1.467 -5.080 1.00 0.00 ATOM 763 C ILE 98 -0.254 1.730 -5.966 1.00 0.00 ATOM 764 N ILE 99 0.923 1.109 -6.103 1.00 0.00 ATOM 765 CA ILE 99 1.351 0.095 -5.153 1.00 0.00 ATOM 766 CB ILE 99 1.635 -1.245 -5.859 1.00 0.00 ATOM 767 CG1 ILE 99 0.368 -1.768 -6.539 1.00 0.00 ATOM 768 CG2 ILE 99 2.108 -2.286 -4.854 1.00 0.00 ATOM 769 CD1 ILE 99 0.612 -2.943 -7.461 1.00 0.00 ATOM 770 O ILE 99 3.570 0.994 -5.036 1.00 0.00 ATOM 771 C ILE 99 2.595 0.571 -4.415 1.00 0.00 ATOM 772 N LYS 100 2.578 0.499 -3.108 1.00 0.00 ATOM 773 CA LYS 100 3.726 0.941 -2.328 1.00 0.00 ATOM 774 CB LYS 100 3.380 2.343 -1.824 1.00 0.00 ATOM 775 CG LYS 100 2.153 2.396 -0.928 1.00 0.00 ATOM 776 CD LYS 100 1.867 3.815 -0.466 1.00 0.00 ATOM 777 CE LYS 100 1.303 4.660 -1.596 1.00 0.00 ATOM 778 NZ LYS 100 0.948 6.032 -1.140 1.00 0.00 ATOM 779 O LYS 100 3.002 -0.815 -0.871 1.00 0.00 ATOM 780 C LYS 100 3.900 -0.041 -1.160 1.00 0.00 ATOM 781 N PRO 101 5.052 -0.003 -0.525 1.00 0.00 ATOM 782 CA PRO 101 5.325 -0.892 0.609 1.00 0.00 ATOM 783 CB PRO 101 6.372 -1.876 0.081 1.00 0.00 ATOM 784 CG PRO 101 7.097 -1.116 -0.978 1.00 0.00 ATOM 785 CD PRO 101 6.073 -0.232 -1.632 1.00 0.00 ATOM 786 O PRO 101 6.110 1.144 1.669 1.00 0.00 ATOM 787 C PRO 101 5.871 -0.083 1.778 1.00 0.00 ATOM 788 N LEU 102 6.096 -0.796 2.878 1.00 0.00 ATOM 789 CA LEU 102 6.593 -0.151 4.086 1.00 0.00 ATOM 790 CB LEU 102 5.557 -0.341 5.227 1.00 0.00 ATOM 791 CG LEU 102 4.118 0.097 4.934 1.00 0.00 ATOM 792 CD1 LEU 102 3.235 -0.344 6.079 1.00 0.00 ATOM 793 CD2 LEU 102 4.038 1.611 4.722 1.00 0.00 ATOM 794 O LEU 102 8.324 -0.438 5.740 1.00 0.00 ATOM 795 C LEU 102 7.877 -0.792 4.642 1.00 0.00 ATOM 796 N THR 103 8.512 -1.832 3.842 1.00 0.00 ATOM 797 CA THR 103 9.649 -2.609 4.378 1.00 0.00 ATOM 798 CB THR 103 10.125 -3.678 3.376 1.00 0.00 ATOM 799 CG2 THR 103 11.284 -4.474 3.956 1.00 0.00 ATOM 800 OG1 THR 103 9.046 -4.574 3.082 1.00 0.00 ATOM 801 O THR 103 11.060 -0.682 4.083 1.00 0.00 ATOM 802 C THR 103 10.830 -1.709 4.734 1.00 0.00 ATOM 803 N GLY 104 11.549 -2.085 5.789 1.00 0.00 ATOM 804 CA GLY 104 12.702 -1.309 6.206 1.00 0.00 ATOM 805 O GLY 104 14.769 -0.482 5.378 1.00 0.00 ATOM 806 C GLY 104 13.862 -1.294 5.250 1.00 0.00 ATOM 807 N GLU 105 13.898 -2.336 4.271 1.00 0.00 ATOM 808 CA GLU 105 14.954 -2.343 3.287 1.00 0.00 ATOM 809 CB GLU 105 15.586 -3.738 3.281 1.00 0.00 ATOM 810 CG GLU 105 16.317 -4.094 4.564 1.00 0.00 ATOM 811 CD GLU 105 16.972 -5.460 4.502 1.00 0.00 ATOM 812 OE1 GLU 105 16.818 -6.146 3.470 1.00 0.00 ATOM 813 OE2 GLU 105 17.639 -5.844 5.485 1.00 0.00 ATOM 814 O GLU 105 13.105 -2.305 1.784 1.00 0.00 ATOM 815 C GLU 105 14.297 -2.043 1.942 1.00 0.00 ATOM 816 N ASP 106 15.048 -1.432 1.025 1.00 0.00 ATOM 817 CA ASP 106 14.464 -0.965 -0.253 1.00 0.00 ATOM 818 CB ASP 106 14.806 0.546 -0.467 1.00 0.00 ATOM 819 CG ASP 106 16.368 0.864 -0.551 1.00 0.00 ATOM 820 OD1 ASP 106 17.220 0.091 -0.051 1.00 0.00 ATOM 821 OD2 ASP 106 16.744 1.924 -1.118 1.00 0.00 ATOM 822 O ASP 106 14.099 -1.728 -2.497 1.00 0.00 ATOM 823 C ASP 106 14.915 -1.552 -1.595 1.00 0.00 ATOM 824 N ILE 107 16.299 -1.704 -1.724 1.00 0.00 ATOM 825 CA ILE 107 16.820 -2.227 -2.988 1.00 0.00 ATOM 826 CB ILE 107 18.358 -2.318 -2.991 1.00 0.00 ATOM 827 CG1 ILE 107 18.975 -0.920 -2.919 1.00 0.00 ATOM 828 CG2 ILE 107 18.849 -2.997 -4.261 1.00 0.00 ATOM 829 CD1 ILE 107 20.464 -0.923 -2.651 1.00 0.00 ATOM 830 O ILE 107 15.819 -3.901 -4.432 1.00 0.00 ATOM 831 C ILE 107 16.262 -3.613 -3.281 1.00 0.00 ATOM 832 N VAL 108 16.236 -4.445 -2.244 1.00 0.00 ATOM 833 CA VAL 108 15.803 -5.837 -2.377 1.00 0.00 ATOM 834 CB VAL 108 15.964 -6.608 -1.054 1.00 0.00 ATOM 835 CG1 VAL 108 17.425 -6.633 -0.627 1.00 0.00 ATOM 836 CG2 VAL 108 15.153 -5.947 0.051 1.00 0.00 ATOM 837 O VAL 108 13.949 -7.000 -3.269 1.00 0.00 ATOM 838 C VAL 108 14.351 -5.947 -2.777 1.00 0.00 ATOM 839 N THR 109 13.585 -4.868 -2.570 1.00 0.00 ATOM 840 CA THR 109 12.138 -4.854 -2.847 1.00 0.00 ATOM 841 CB THR 109 11.343 -4.259 -1.670 1.00 0.00 ATOM 842 CG2 THR 109 11.514 -5.116 -0.424 1.00 0.00 ATOM 843 OG1 THR 109 11.815 -2.936 -1.391 1.00 0.00 ATOM 844 O THR 109 11.067 -4.499 -4.953 1.00 0.00 ATOM 845 C THR 109 11.782 -4.027 -4.080 1.00 0.00 ATOM 846 N GLU 110 12.226 -2.774 -4.115 1.00 0.00 ATOM 847 CA GLU 110 11.695 -1.801 -5.085 1.00 0.00 ATOM 848 CB GLU 110 12.270 -0.409 -4.816 1.00 0.00 ATOM 849 CG GLU 110 11.724 0.675 -5.732 1.00 0.00 ATOM 850 CD GLU 110 12.271 2.049 -5.399 1.00 0.00 ATOM 851 OE1 GLU 110 13.069 2.155 -4.445 1.00 0.00 ATOM 852 OE2 GLU 110 11.901 3.019 -6.091 1.00 0.00 ATOM 853 O GLU 110 11.162 -2.037 -7.443 1.00 0.00 ATOM 854 C GLU 110 12.023 -2.137 -6.550 1.00 0.00 ATOM 855 N ARG 111 13.355 -2.188 -6.949 1.00 0.00 ATOM 856 CA ARG 111 13.686 -2.476 -8.334 1.00 0.00 ATOM 857 CB ARG 111 15.089 -3.455 -8.199 1.00 0.00 ATOM 858 CG ARG 111 15.951 -3.214 -6.998 1.00 0.00 ATOM 859 CD ARG 111 16.829 -4.471 -6.682 1.00 0.00 ATOM 860 NE ARG 111 17.791 -4.632 -7.763 1.00 0.00 ATOM 861 CZ ARG 111 18.709 -5.563 -7.764 1.00 0.00 ATOM 862 NH1 ARG 111 18.818 -6.379 -6.746 1.00 0.00 ATOM 863 NH2 ARG 111 19.549 -5.618 -8.753 1.00 0.00 ATOM 864 O ARG 111 12.259 -3.570 -9.933 1.00 0.00 ATOM 865 C ARG 111 12.889 -3.678 -8.888 1.00 0.00 ATOM 866 N LYS 112 12.934 -4.840 -8.205 1.00 0.00 ATOM 867 CA LYS 112 12.110 -5.948 -8.704 1.00 0.00 ATOM 868 CB LYS 112 12.310 -7.195 -7.840 1.00 0.00 ATOM 869 CG LYS 112 13.675 -7.846 -7.998 1.00 0.00 ATOM 870 CD LYS 112 13.805 -9.078 -7.116 1.00 0.00 ATOM 871 CE LYS 112 15.177 -9.715 -7.256 1.00 0.00 ATOM 872 NZ LYS 112 15.331 -10.904 -6.372 1.00 0.00 ATOM 873 O LYS 112 9.870 -6.115 -9.563 1.00 0.00 ATOM 874 C LYS 112 10.616 -5.643 -8.700 1.00 0.00 ATOM 875 N MET 113 10.089 -4.821 -7.707 1.00 0.00 ATOM 876 CA MET 113 8.674 -4.440 -7.644 1.00 0.00 ATOM 877 CB MET 113 8.398 -3.608 -6.390 1.00 0.00 ATOM 878 CG MET 113 8.490 -4.392 -5.092 1.00 0.00 ATOM 879 SD MET 113 8.259 -3.355 -3.635 1.00 0.00 ATOM 880 CE MET 113 6.525 -2.934 -3.789 1.00 0.00 ATOM 881 O MET 113 7.204 -3.796 -9.417 1.00 0.00 ATOM 882 C MET 113 8.289 -3.615 -8.864 1.00 0.00 ATOM 883 N LYS 114 9.191 -2.741 -9.315 1.00 0.00 ATOM 884 CA LYS 114 8.909 -1.876 -10.454 1.00 0.00 ATOM 885 CB LYS 114 10.043 -0.869 -10.657 1.00 0.00 ATOM 886 CG LYS 114 9.797 0.126 -11.779 1.00 0.00 ATOM 887 CD LYS 114 10.914 1.155 -11.859 1.00 0.00 ATOM 888 CE LYS 114 10.665 2.152 -12.979 1.00 0.00 ATOM 889 NZ LYS 114 11.743 3.178 -13.058 1.00 0.00 ATOM 890 O LYS 114 8.005 -2.319 -12.643 1.00 0.00 ATOM 891 C LYS 114 8.760 -2.692 -11.748 1.00 0.00 ATOM 892 N LEU 115 9.482 -3.880 -11.734 1.00 0.00 ATOM 893 CA LEU 115 9.345 -4.814 -12.860 1.00 0.00 ATOM 894 CB LEU 115 10.401 -5.917 -12.775 1.00 0.00 ATOM 895 CG LEU 115 11.852 -5.484 -12.989 1.00 0.00 ATOM 896 CD1 LEU 115 12.803 -6.641 -12.724 1.00 0.00 ATOM 897 CD2 LEU 115 12.067 -5.010 -14.418 1.00 0.00 ATOM 898 O LEU 115 7.304 -5.507 -13.920 1.00 0.00 ATOM 899 C LEU 115 7.931 -5.384 -12.865 1.00 0.00 ATOM 900 N VAL 116 7.431 -5.680 -11.692 1.00 0.00 ATOM 901 CA VAL 116 6.086 -6.241 -11.576 1.00 0.00 ATOM 902 CB VAL 116 5.869 -6.857 -10.182 1.00 0.00 ATOM 903 CG1 VAL 116 4.434 -7.336 -10.027 1.00 0.00 ATOM 904 CG2 VAL 116 6.797 -8.045 -9.975 1.00 0.00 ATOM 905 O VAL 116 3.923 -5.501 -12.360 1.00 0.00 ATOM 906 C VAL 116 4.988 -5.195 -11.786 1.00 0.00 ATOM 907 N ASN 117 5.209 -3.994 -11.262 1.00 0.00 ATOM 908 CA ASN 117 4.223 -2.914 -11.335 1.00 0.00 ATOM 909 CB ASN 117 3.295 -2.996 -10.083 1.00 0.00 ATOM 910 CG ASN 117 2.005 -2.193 -10.200 1.00 0.00 ATOM 911 ND2 ASN 117 1.302 -2.072 -9.086 1.00 0.00 ATOM 912 OD1 ASN 117 1.631 -1.701 -11.281 1.00 0.00 ATOM 913 O ASN 117 5.590 -1.000 -10.846 1.00 0.00 ATOM 914 C ASN 117 4.922 -1.614 -11.680 1.00 0.00 ATOM 915 N TYR 118 4.805 -1.222 -12.948 1.00 0.00 ATOM 916 CA TYR 118 5.418 -0.003 -13.451 1.00 0.00 ATOM 917 CB TYR 118 4.967 0.270 -14.887 1.00 0.00 ATOM 918 CG TYR 118 5.530 1.543 -15.476 1.00 0.00 ATOM 919 CD1 TYR 118 6.854 1.610 -15.891 1.00 0.00 ATOM 920 CD2 TYR 118 4.736 2.674 -15.614 1.00 0.00 ATOM 921 CE1 TYR 118 7.377 2.770 -16.431 1.00 0.00 ATOM 922 CE2 TYR 118 5.241 3.843 -16.150 1.00 0.00 ATOM 923 CZ TYR 118 6.575 3.883 -16.559 1.00 0.00 ATOM 924 OH TYR 118 7.093 5.039 -17.096 1.00 0.00 ATOM 925 O TYR 118 3.823 1.352 -12.333 1.00 0.00 ATOM 926 C TYR 118 5.010 1.164 -12.588 1.00 0.00 ATOM 927 N GLY 119 6.051 1.914 -12.000 1.00 0.00 ATOM 928 CA GLY 119 5.819 3.121 -11.213 1.00 0.00 ATOM 929 O GLY 119 5.302 3.857 -8.997 1.00 0.00 ATOM 930 C GLY 119 5.611 2.908 -9.710 1.00 0.00 ATOM 931 N ARG 120 5.773 1.661 -9.254 1.00 0.00 ATOM 932 CA ARG 120 5.784 1.334 -7.812 1.00 0.00 ATOM 933 CB ARG 120 6.268 -0.093 -7.628 1.00 0.00 ATOM 934 CG ARG 120 5.284 -1.076 -8.243 1.00 0.00 ATOM 935 CD ARG 120 5.464 -2.496 -7.846 1.00 0.00 ATOM 936 NE ARG 120 4.266 -3.266 -8.176 1.00 0.00 ATOM 937 CZ ARG 120 4.156 -4.580 -8.038 1.00 0.00 ATOM 938 NH1 ARG 120 5.182 -5.307 -7.570 1.00 0.00 ATOM 939 NH2 ARG 120 3.013 -5.153 -8.378 1.00 0.00 ATOM 940 O ARG 120 7.654 2.788 -7.494 1.00 0.00 ATOM 941 C ARG 120 6.581 2.384 -7.059 1.00 0.00 ATOM 942 N THR 121 6.096 2.802 -5.924 1.00 0.00 ATOM 943 CA THR 121 6.803 3.733 -5.043 1.00 0.00 ATOM 944 CB THR 121 6.009 5.040 -4.852 1.00 0.00 ATOM 945 CG2 THR 121 6.761 5.989 -3.931 1.00 0.00 ATOM 946 OG1 THR 121 5.820 5.678 -6.121 1.00 0.00 ATOM 947 O THR 121 6.031 2.784 -2.961 1.00 0.00 ATOM 948 C THR 121 7.001 3.084 -3.676 1.00 0.00 ATOM 949 N TYR 122 8.248 2.845 -3.311 1.00 0.00 ATOM 950 CA TYR 122 8.527 2.261 -1.994 1.00 0.00 ATOM 951 CB TYR 122 10.008 1.899 -1.872 1.00 0.00 ATOM 952 CG TYR 122 10.375 1.258 -0.551 1.00 0.00 ATOM 953 CD1 TYR 122 10.098 -0.081 -0.310 1.00 0.00 ATOM 954 CD2 TYR 122 10.998 1.996 0.447 1.00 0.00 ATOM 955 CE1 TYR 122 10.431 -0.674 0.894 1.00 0.00 ATOM 956 CE2 TYR 122 11.337 1.419 1.656 1.00 0.00 ATOM 957 CZ TYR 122 11.047 0.072 1.873 1.00 0.00 ATOM 958 OH TYR 122 11.379 -0.517 3.072 1.00 0.00 ATOM 959 O TYR 122 8.277 4.460 -1.083 1.00 0.00 ATOM 960 C TYR 122 8.177 3.248 -0.906 1.00 0.00 ATOM 961 N PHE 123 7.937 2.751 0.392 1.00 0.00 ATOM 962 CA PHE 123 7.612 3.621 1.526 1.00 0.00 ATOM 963 CB PHE 123 6.728 2.682 2.537 1.00 0.00 ATOM 964 CG PHE 123 6.411 3.457 3.794 1.00 0.00 ATOM 965 CD1 PHE 123 5.385 4.386 3.792 1.00 0.00 ATOM 966 CD2 PHE 123 7.178 3.294 4.941 1.00 0.00 ATOM 967 CE1 PHE 123 5.137 5.134 4.931 1.00 0.00 ATOM 968 CE2 PHE 123 6.906 4.031 6.070 1.00 0.00 ATOM 969 CZ PHE 123 5.883 4.970 6.079 1.00 0.00 ATOM 970 O PHE 123 8.593 5.433 2.732 1.00 0.00 ATOM 971 C PHE 123 8.796 4.437 2.037 1.00 0.00 ATOM 972 N TYR 124 10.021 3.991 1.753 1.00 0.00 ATOM 973 CA TYR 124 11.216 4.717 2.210 1.00 0.00 ATOM 974 CB TYR 124 12.499 4.146 1.281 1.00 0.00 ATOM 975 CG TYR 124 13.903 4.120 1.859 1.00 0.00 ATOM 976 CD1 TYR 124 14.442 2.947 2.393 1.00 0.00 ATOM 977 CD2 TYR 124 14.683 5.280 1.904 1.00 0.00 ATOM 978 CE1 TYR 124 15.719 2.929 2.960 1.00 0.00 ATOM 979 CE2 TYR 124 15.965 5.264 2.472 1.00 0.00 ATOM 980 CZ TYR 124 16.467 4.088 2.994 1.00 0.00 ATOM 981 OH TYR 124 17.717 4.085 3.550 1.00 0.00 ATOM 982 O TYR 124 11.870 7.028 2.227 1.00 0.00 ATOM 983 C TYR 124 11.320 6.121 1.602 1.00 0.00 ATOM 984 N GLU 125 10.670 6.360 0.394 1.00 0.00 ATOM 985 CA GLU 125 10.639 7.686 -0.233 1.00 0.00 ATOM 986 CB GLU 125 10.196 7.540 -1.735 1.00 0.00 ATOM 987 CG GLU 125 11.228 6.969 -2.718 1.00 0.00 ATOM 988 CD GLU 125 10.852 7.243 -4.176 1.00 0.00 ATOM 989 OE1 GLU 125 11.616 6.858 -5.096 1.00 0.00 ATOM 990 OE2 GLU 125 9.783 7.852 -4.403 1.00 0.00 ATOM 991 O GLU 125 10.010 9.791 0.731 1.00 0.00 ATOM 992 C GLU 125 9.688 8.623 0.515 1.00 0.00 ATOM 993 N TYR 126 8.533 8.099 0.922 1.00 0.00 ATOM 994 CA TYR 126 7.604 8.826 1.787 1.00 0.00 ATOM 995 CB TYR 126 6.286 8.104 1.959 1.00 0.00 ATOM 996 CG TYR 126 5.533 7.846 0.665 1.00 0.00 ATOM 997 CD1 TYR 126 5.765 8.615 -0.475 1.00 0.00 ATOM 998 CD2 TYR 126 4.578 6.834 0.591 1.00 0.00 ATOM 999 CE1 TYR 126 5.062 8.378 -1.659 1.00 0.00 ATOM 1000 CE2 TYR 126 3.870 6.591 -0.585 1.00 0.00 ATOM 1001 CZ TYR 126 4.116 7.362 -1.702 1.00 0.00 ATOM 1002 OH TYR 126 3.418 7.109 -2.865 1.00 0.00 ATOM 1003 O TYR 126 8.153 10.177 3.700 1.00 0.00 ATOM 1004 C TYR 126 8.246 9.073 3.156 1.00 0.00 ATOM 1005 N ILE 127 9.049 8.012 3.705 1.00 0.00 ATOM 1006 CA ILE 127 9.821 8.088 4.948 1.00 0.00 ATOM 1007 CB ILE 127 10.590 6.777 5.180 1.00 0.00 ATOM 1008 CG1 ILE 127 9.593 5.638 5.412 1.00 0.00 ATOM 1009 CG2 ILE 127 11.536 6.937 6.361 1.00 0.00 ATOM 1010 CD1 ILE 127 10.216 4.258 5.413 1.00 0.00 ATOM 1011 O ILE 127 10.901 10.010 5.877 1.00 0.00 ATOM 1012 C ILE 127 10.809 9.259 4.908 1.00 0.00 ATOM 1013 N ALA 128 11.501 9.407 3.804 1.00 0.00 ATOM 1014 CA ALA 128 12.511 10.465 3.680 1.00 0.00 ATOM 1015 CB ALA 128 13.257 10.360 2.351 1.00 0.00 ATOM 1016 O ALA 128 12.529 12.779 4.283 1.00 0.00 ATOM 1017 C ALA 128 11.892 11.862 3.762 1.00 0.00 ATOM 1018 N GLU 129 10.630 12.007 3.150 1.00 0.00 ATOM 1019 CA GLU 129 9.961 13.304 3.157 1.00 0.00 ATOM 1020 CB GLU 129 8.865 13.419 2.093 1.00 0.00 ATOM 1021 CG GLU 129 9.460 13.177 0.678 1.00 0.00 ATOM 1022 CD GLU 129 8.447 13.243 -0.441 1.00 0.00 ATOM 1023 OE1 GLU 129 7.677 14.163 -0.544 1.00 0.00 ATOM 1024 OE2 GLU 129 8.506 12.250 -1.316 1.00 0.00 ATOM 1025 O GLU 129 9.638 14.735 5.048 1.00 0.00 ATOM 1026 C GLU 129 9.477 13.633 4.540 1.00 0.00 ATOM 1027 N VAL 130 8.910 12.672 5.204 1.00 0.00 ATOM 1028 CA VAL 130 8.427 12.854 6.566 1.00 0.00 ATOM 1029 CB VAL 130 7.810 11.557 7.116 1.00 0.00 ATOM 1030 CG1 VAL 130 7.635 11.594 8.617 1.00 0.00 ATOM 1031 CG2 VAL 130 6.509 11.297 6.405 1.00 0.00 ATOM 1032 O VAL 130 9.363 14.044 8.415 1.00 0.00 ATOM 1033 C VAL 130 9.548 13.257 7.487 1.00 0.00 ATOM 1034 N ARG 131 10.723 12.654 7.269 1.00 0.00 ATOM 1035 CA ARG 131 11.876 13.028 8.118 1.00 0.00 ATOM 1036 CB ARG 131 13.042 12.091 7.852 1.00 0.00 ATOM 1037 CG ARG 131 12.915 10.685 8.389 1.00 0.00 ATOM 1038 CD ARG 131 14.144 9.861 8.012 1.00 0.00 ATOM 1039 NE ARG 131 14.108 8.495 8.522 1.00 0.00 ATOM 1040 CZ ARG 131 14.406 8.152 9.763 1.00 0.00 ATOM 1041 NH1 ARG 131 14.363 6.851 10.110 1.00 0.00 ATOM 1042 NH2 ARG 131 14.823 9.039 10.662 1.00 0.00 ATOM 1043 O ARG 131 12.487 15.214 8.779 1.00 0.00 ATOM 1044 C ARG 131 12.292 14.460 7.830 1.00 0.00 ATOM 1045 N SER 132 12.518 14.822 6.567 1.00 0.00 ATOM 1046 CA SER 132 13.026 16.191 6.341 1.00 0.00 ATOM 1047 CB SER 132 13.373 16.349 4.870 1.00 0.00 ATOM 1048 OG SER 132 14.480 15.518 4.538 1.00 0.00 ATOM 1049 O SER 132 12.477 18.249 7.397 1.00 0.00 ATOM 1050 C SER 132 12.042 17.238 6.780 1.00 0.00 ATOM 1051 N ARG 133 10.678 16.964 6.588 1.00 0.00 ATOM 1052 CA ARG 133 9.675 17.939 6.981 1.00 0.00 ATOM 1053 CB ARG 133 8.442 17.878 6.070 1.00 0.00 ATOM 1054 CG ARG 133 8.674 18.296 4.631 1.00 0.00 ATOM 1055 CD ARG 133 7.338 18.498 3.920 1.00 0.00 ATOM 1056 NE ARG 133 7.499 18.792 2.500 1.00 0.00 ATOM 1057 CZ ARG 133 7.448 17.879 1.535 1.00 0.00 ATOM 1058 NH1 ARG 133 7.235 16.604 1.835 1.00 0.00 ATOM 1059 NH2 ARG 133 7.614 18.239 0.271 1.00 0.00 ATOM 1060 O ARG 133 9.433 16.412 8.807 1.00 0.00 ATOM 1061 C ARG 133 9.258 17.556 8.387 1.00 0.00 TER END