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 3 Wed Jun 25 13:39:22 2008 MODEL 3 PARENT N/A ATOM 2 N ASP 4 4.901 8.440 7.895 1.00 0.00 ATOM 3 CA ASP 4 5.417 8.902 6.626 1.00 0.00 ATOM 4 CB ASP 4 6.924 8.654 6.538 1.00 0.00 ATOM 5 CG ASP 4 7.721 9.594 7.423 1.00 0.00 ATOM 6 OD1 ASP 4 7.138 10.583 7.916 1.00 0.00 ATOM 7 OD2 ASP 4 8.927 9.341 7.625 1.00 0.00 ATOM 8 O ASP 4 4.425 8.880 4.479 1.00 0.00 ATOM 9 C ASP 4 4.802 8.224 5.433 1.00 0.00 ATOM 10 N LEU 5 4.714 6.899 5.495 1.00 0.00 ATOM 11 CA LEU 5 4.206 6.119 4.414 1.00 0.00 ATOM 12 CB LEU 5 4.395 4.626 4.695 1.00 0.00 ATOM 13 CG LEU 5 5.836 4.112 4.687 1.00 0.00 ATOM 14 CD1 LEU 5 5.893 2.665 5.153 1.00 0.00 ATOM 15 CD2 LEU 5 6.425 4.182 3.286 1.00 0.00 ATOM 16 O LEU 5 2.258 6.568 3.148 1.00 0.00 ATOM 17 C LEU 5 2.715 6.415 4.247 1.00 0.00 ATOM 18 N ALA 6 2.003 6.529 5.353 1.00 0.00 ATOM 19 CA ALA 6 0.590 6.841 5.323 1.00 0.00 ATOM 20 CB ALA 6 0.009 6.801 6.727 1.00 0.00 ATOM 21 O ALA 6 -0.649 8.419 4.063 1.00 0.00 ATOM 22 C ALA 6 0.342 8.225 4.750 1.00 0.00 ATOM 23 N VAL 7 1.234 9.192 5.020 1.00 0.00 ATOM 24 CA VAL 7 1.060 10.555 4.511 1.00 0.00 ATOM 25 CB VAL 7 2.172 11.493 5.019 1.00 0.00 ATOM 26 CG1 VAL 7 2.086 12.843 4.325 1.00 0.00 ATOM 27 CG2 VAL 7 2.039 11.712 6.518 1.00 0.00 ATOM 28 O VAL 7 0.248 11.190 2.330 1.00 0.00 ATOM 29 C VAL 7 1.099 10.554 2.974 1.00 0.00 ATOM 30 N TYR 8 2.011 9.786 2.396 1.00 0.00 ATOM 31 CA TYR 8 2.148 9.702 0.935 1.00 0.00 ATOM 32 CB TYR 8 3.343 8.823 0.560 1.00 0.00 ATOM 33 CG TYR 8 4.684 9.481 0.785 1.00 0.00 ATOM 34 CD1 TYR 8 5.462 9.154 1.889 1.00 0.00 ATOM 35 CD2 TYR 8 5.170 10.430 -0.107 1.00 0.00 ATOM 36 CE1 TYR 8 6.690 9.751 2.102 1.00 0.00 ATOM 37 CE2 TYR 8 6.394 11.039 0.091 1.00 0.00 ATOM 38 CZ TYR 8 7.155 10.690 1.207 1.00 0.00 ATOM 39 OH TYR 8 8.376 11.287 1.418 1.00 0.00 ATOM 40 O TYR 8 0.367 9.673 -0.620 1.00 0.00 ATOM 41 C TYR 8 0.900 9.105 0.311 1.00 0.00 ATOM 42 N ILE 9 0.424 7.976 0.844 1.00 0.00 ATOM 43 CA ILE 9 -0.805 7.336 0.367 1.00 0.00 ATOM 44 CB ILE 9 -1.119 6.052 1.158 1.00 0.00 ATOM 45 CG1 ILE 9 -0.025 5.006 0.929 1.00 0.00 ATOM 46 CG2 ILE 9 -2.448 5.463 0.713 1.00 0.00 ATOM 47 CD1 ILE 9 0.114 4.574 -0.514 1.00 0.00 ATOM 48 O ILE 9 -2.825 8.359 -0.382 1.00 0.00 ATOM 49 C ILE 9 -2.011 8.263 0.510 1.00 0.00 ATOM 50 N ILE 10 -2.118 8.953 1.637 1.00 0.00 ATOM 51 CA ILE 10 -3.158 9.995 1.809 1.00 0.00 ATOM 52 CB ILE 10 -3.026 10.706 3.169 1.00 0.00 ATOM 53 CG1 ILE 10 -3.273 9.720 4.312 1.00 0.00 ATOM 54 CG2 ILE 10 -4.038 11.836 3.280 1.00 0.00 ATOM 55 CD1 ILE 10 -4.657 9.110 4.304 1.00 0.00 ATOM 56 O ILE 10 -4.104 11.491 0.194 1.00 0.00 ATOM 57 C ILE 10 -3.075 11.082 0.723 1.00 0.00 ATOM 58 N ARG 11 -1.873 11.536 0.386 1.00 0.00 ATOM 59 CA ARG 11 -1.718 12.556 -0.651 1.00 0.00 ATOM 60 CB ARG 11 -0.254 12.984 -0.767 1.00 0.00 ATOM 61 CG ARG 11 0.248 13.804 0.411 1.00 0.00 ATOM 62 CD ARG 11 1.728 14.122 0.272 1.00 0.00 ATOM 63 NE ARG 11 2.233 14.890 1.408 1.00 0.00 ATOM 64 CZ ARG 11 3.511 15.203 1.589 1.00 0.00 ATOM 65 NH1 ARG 11 3.877 15.905 2.654 1.00 0.00 ATOM 66 NH2 ARG 11 4.420 14.815 0.706 1.00 0.00 ATOM 67 O ARG 11 -2.605 12.815 -2.884 1.00 0.00 ATOM 68 C ARG 11 -2.163 12.051 -2.030 1.00 0.00 ATOM 69 N CYS 12 -1.992 10.763 -2.253 1.00 0.00 ATOM 70 CA CYS 12 -2.334 10.163 -3.531 1.00 0.00 ATOM 71 CB CYS 12 -1.514 8.890 -3.761 1.00 0.00 ATOM 72 SG CYS 12 0.262 9.171 -3.952 1.00 0.00 ATOM 73 O CYS 12 -4.321 9.593 -4.713 1.00 0.00 ATOM 74 C CYS 12 -3.825 9.767 -3.635 1.00 0.00 ATOM 78 N PRO 15 -10.739 11.292 -1.540 1.00 0.00 ATOM 79 CA PRO 15 -11.420 11.160 -0.240 1.00 0.00 ATOM 80 CB PRO 15 -12.246 12.442 -0.122 1.00 0.00 ATOM 81 CG PRO 15 -11.530 13.427 -0.985 1.00 0.00 ATOM 82 CD PRO 15 -11.017 12.652 -2.165 1.00 0.00 ATOM 83 O PRO 15 -12.816 9.533 -1.310 1.00 0.00 ATOM 84 C PRO 15 -12.287 9.916 -0.262 1.00 0.00 ATOM 85 N GLY 16 -12.339 9.234 0.872 1.00 0.00 ATOM 86 CA GLY 16 -13.068 7.977 0.983 1.00 0.00 ATOM 87 O GLY 16 -13.425 6.075 -0.375 1.00 0.00 ATOM 88 C GLY 16 -12.623 6.885 0.034 1.00 0.00 ATOM 89 N THR 17 -11.339 6.843 -0.300 1.00 0.00 ATOM 90 CA THR 17 -10.794 5.791 -1.127 1.00 0.00 ATOM 91 CB THR 17 -9.306 6.033 -1.441 1.00 0.00 ATOM 92 CG2 THR 17 -9.125 7.344 -2.191 1.00 0.00 ATOM 93 OG1 THR 17 -8.562 6.092 -0.217 1.00 0.00 ATOM 94 O THR 17 -11.004 4.333 0.787 1.00 0.00 ATOM 95 C THR 17 -10.902 4.433 -0.445 1.00 0.00 ATOM 96 N ARG 18 -10.900 3.395 -1.280 1.00 0.00 ATOM 97 CA ARG 18 -10.766 2.019 -0.780 1.00 0.00 ATOM 98 CB ARG 18 -11.655 1.068 -1.584 1.00 0.00 ATOM 99 CG ARG 18 -11.684 -0.355 -1.049 1.00 0.00 ATOM 100 CD ARG 18 -12.621 -1.232 -1.865 1.00 0.00 ATOM 101 NE ARG 18 -12.730 -2.578 -1.310 1.00 0.00 ATOM 102 CZ ARG 18 -13.293 -3.603 -1.944 1.00 0.00 ATOM 103 NH1 ARG 18 -13.348 -4.794 -1.362 1.00 0.00 ATOM 104 NH2 ARG 18 -13.801 -3.436 -3.157 1.00 0.00 ATOM 105 O ARG 18 -8.711 1.608 -1.996 1.00 0.00 ATOM 106 C ARG 18 -9.307 1.582 -0.915 1.00 0.00 ATOM 107 N VAL 19 -8.718 1.246 0.222 1.00 0.00 ATOM 108 CA VAL 19 -7.272 1.057 0.291 1.00 0.00 ATOM 109 CB VAL 19 -6.591 2.193 1.077 1.00 0.00 ATOM 110 CG1 VAL 19 -5.091 1.957 1.163 1.00 0.00 ATOM 111 CG2 VAL 19 -6.827 3.530 0.391 1.00 0.00 ATOM 112 O VAL 19 -7.559 -0.535 2.021 1.00 0.00 ATOM 113 C VAL 19 -6.968 -0.246 0.979 1.00 0.00 ATOM 114 N VAL 20 -6.043 -1.010 0.386 1.00 0.00 ATOM 115 CA VAL 20 -5.496 -2.231 0.926 1.00 0.00 ATOM 116 CB VAL 20 -5.326 -3.304 -0.164 1.00 0.00 ATOM 117 CG1 VAL 20 -4.712 -4.565 0.421 1.00 0.00 ATOM 118 CG2 VAL 20 -6.672 -3.663 -0.773 1.00 0.00 ATOM 119 O VAL 20 -3.189 -1.507 0.882 1.00 0.00 ATOM 120 C VAL 20 -4.116 -1.963 1.551 1.00 0.00 ATOM 121 N GLU 21 -3.986 -2.255 2.842 1.00 0.00 ATOM 122 CA GLU 21 -2.677 -2.248 3.515 1.00 0.00 ATOM 123 CB GLU 21 -2.813 -1.724 4.946 1.00 0.00 ATOM 124 CG GLU 21 -1.489 -1.556 5.676 1.00 0.00 ATOM 125 CD GLU 21 -0.567 -0.568 4.991 1.00 0.00 ATOM 126 OE1 GLU 21 -0.948 0.615 4.870 1.00 0.00 ATOM 127 OE2 GLU 21 0.537 -0.977 4.572 1.00 0.00 ATOM 128 O GLU 21 -2.586 -4.478 4.362 1.00 0.00 ATOM 129 C GLU 21 -2.178 -3.685 3.525 1.00 0.00 ATOM 130 N VAL 22 -1.333 -4.000 2.554 1.00 0.00 ATOM 131 CA VAL 22 -0.833 -5.353 2.236 1.00 0.00 ATOM 132 CB VAL 22 -0.503 -5.495 0.739 1.00 0.00 ATOM 133 CG1 VAL 22 0.060 -6.878 0.447 1.00 0.00 ATOM 134 CG2 VAL 22 -1.753 -5.297 -0.104 1.00 0.00 ATOM 135 O VAL 22 1.369 -4.841 2.931 1.00 0.00 ATOM 136 C VAL 22 0.426 -5.607 3.044 1.00 0.00 ATOM 137 N GLY 23 0.417 -6.653 3.864 1.00 0.00 ATOM 138 CA GLY 23 1.425 -6.865 4.887 1.00 0.00 ATOM 139 O GLY 23 2.436 -5.113 6.180 1.00 0.00 ATOM 140 C GLY 23 1.412 -5.753 5.943 1.00 0.00 ATOM 141 N ALA 24 0.267 -5.572 6.592 1.00 0.00 ATOM 142 CA ALA 24 -0.024 -4.397 7.416 1.00 0.00 ATOM 143 CB ALA 24 -1.525 -4.223 7.579 1.00 0.00 ATOM 144 O ALA 24 0.464 -3.408 9.539 1.00 0.00 ATOM 145 C ALA 24 0.540 -4.424 8.823 1.00 0.00 ATOM 146 N GLY 25 1.068 -5.570 9.234 1.00 0.00 ATOM 147 CA GLY 25 1.535 -5.733 10.620 1.00 0.00 ATOM 148 O GLY 25 -0.740 -5.920 11.348 1.00 0.00 ATOM 149 C GLY 25 0.373 -5.450 11.564 1.00 0.00 ATOM 150 N ARG 26 0.608 -4.634 12.583 1.00 0.00 ATOM 151 CA ARG 26 -0.459 -4.287 13.512 1.00 0.00 ATOM 152 CB ARG 26 0.112 -4.014 14.905 1.00 0.00 ATOM 153 CG ARG 26 0.709 -5.239 15.580 1.00 0.00 ATOM 154 CD ARG 26 1.225 -4.906 16.971 1.00 0.00 ATOM 155 NE ARG 26 1.803 -6.072 17.635 1.00 0.00 ATOM 156 CZ ARG 26 2.397 -6.038 18.823 1.00 0.00 ATOM 157 NH1 ARG 26 2.894 -7.149 19.349 1.00 0.00 ATOM 158 NH2 ARG 26 2.493 -4.891 19.484 1.00 0.00 ATOM 159 O ARG 26 -1.968 -2.440 13.963 1.00 0.00 ATOM 160 C ARG 26 -1.264 -3.030 13.122 1.00 0.00 ATOM 161 N PHE 27 -1.182 -2.640 11.847 1.00 0.00 ATOM 162 CA PHE 27 -2.116 -1.707 11.237 1.00 0.00 ATOM 163 CB PHE 27 -3.478 -1.781 11.930 1.00 0.00 ATOM 164 CG PHE 27 -4.154 -3.116 11.798 1.00 0.00 ATOM 165 CD1 PHE 27 -4.147 -4.020 12.848 1.00 0.00 ATOM 166 CD2 PHE 27 -4.797 -3.469 10.625 1.00 0.00 ATOM 167 CE1 PHE 27 -4.767 -5.247 12.725 1.00 0.00 ATOM 168 CE2 PHE 27 -5.419 -4.698 10.502 1.00 0.00 ATOM 169 CZ PHE 27 -5.405 -5.585 11.546 1.00 0.00 ATOM 170 O PHE 27 -2.587 0.600 11.051 1.00 0.00 ATOM 171 C PHE 27 -1.747 -0.238 11.264 1.00 0.00 ATOM 172 N TYR 29 -0.481 0.076 11.482 1.00 0.00 ATOM 173 CA TYR 29 -0.009 1.463 11.633 1.00 0.00 ATOM 174 CB TYR 29 1.514 1.499 11.764 1.00 0.00 ATOM 175 CG TYR 29 2.025 1.035 13.109 1.00 0.00 ATOM 176 CD1 TYR 29 2.570 -0.234 13.264 1.00 0.00 ATOM 177 CD2 TYR 29 1.962 1.867 14.220 1.00 0.00 ATOM 178 CE1 TYR 29 3.039 -0.666 14.491 1.00 0.00 ATOM 179 CE2 TYR 29 2.428 1.452 15.452 1.00 0.00 ATOM 180 CZ TYR 29 2.968 0.173 15.580 1.00 0.00 ATOM 181 OH TYR 29 3.435 -0.256 16.803 1.00 0.00 ATOM 182 O TYR 29 -0.899 3.451 10.624 1.00 0.00 ATOM 183 C TYR 29 -0.384 2.349 10.441 1.00 0.00 ATOM 184 N VAL 30 -0.186 1.843 9.227 1.00 0.00 ATOM 185 CA VAL 30 -0.459 2.620 8.036 1.00 0.00 ATOM 186 CB VAL 30 0.276 2.050 6.809 1.00 0.00 ATOM 187 CG1 VAL 30 -0.131 2.796 5.549 1.00 0.00 ATOM 188 CG2 VAL 30 1.781 2.183 6.982 1.00 0.00 ATOM 189 O VAL 30 -2.554 3.695 7.568 1.00 0.00 ATOM 190 C VAL 30 -1.959 2.638 7.699 1.00 0.00 ATOM 191 N SER 31 -2.576 1.467 7.581 1.00 0.00 ATOM 192 CA SER 31 -3.979 1.389 7.324 1.00 0.00 ATOM 193 CB SER 31 -4.425 -0.072 7.230 1.00 0.00 ATOM 194 OG SER 31 -5.819 -0.166 6.991 1.00 0.00 ATOM 195 O SER 31 -5.845 2.622 8.061 1.00 0.00 ATOM 196 C SER 31 -4.841 2.031 8.385 1.00 0.00 ATOM 197 N ASP 32 -4.466 1.880 9.653 1.00 0.00 ATOM 198 CA ASP 32 -5.172 2.501 10.776 1.00 0.00 ATOM 199 CB ASP 32 -4.498 2.137 12.100 1.00 0.00 ATOM 200 CG ASP 32 -5.230 2.698 13.303 1.00 0.00 ATOM 201 OD1 ASP 32 -6.407 2.332 13.504 1.00 0.00 ATOM 202 OD2 ASP 32 -4.627 3.501 14.044 1.00 0.00 ATOM 203 O ASP 32 -6.243 4.647 10.855 1.00 0.00 ATOM 204 C ASP 32 -5.194 4.027 10.679 1.00 0.00 ATOM 205 N TYR 33 -4.038 4.612 10.377 1.00 0.00 ATOM 206 CA TYR 33 -3.933 6.065 10.113 1.00 0.00 ATOM 207 CB TYR 33 -2.499 6.437 9.730 1.00 0.00 ATOM 208 CG TYR 33 -1.535 6.441 10.895 1.00 0.00 ATOM 209 CD1 TYR 33 -0.650 5.387 11.089 1.00 0.00 ATOM 210 CD2 TYR 33 -1.513 7.496 11.797 1.00 0.00 ATOM 211 CE1 TYR 33 0.234 5.381 12.151 1.00 0.00 ATOM 212 CE2 TYR 33 -0.635 7.507 12.865 1.00 0.00 ATOM 213 CZ TYR 33 0.241 6.438 13.037 1.00 0.00 ATOM 214 OH TYR 33 1.122 6.435 14.094 1.00 0.00 ATOM 215 O TYR 33 -5.652 7.401 9.089 1.00 0.00 ATOM 216 C TYR 33 -4.856 6.459 8.973 1.00 0.00 ATOM 217 N ILE 34 -4.791 5.707 7.879 1.00 0.00 ATOM 218 CA ILE 34 -5.632 6.000 6.723 1.00 0.00 ATOM 219 CB ILE 34 -5.362 5.022 5.565 1.00 0.00 ATOM 220 CG1 ILE 34 -3.958 5.247 4.994 1.00 0.00 ATOM 221 CG2 ILE 34 -6.374 5.224 4.449 1.00 0.00 ATOM 222 CD1 ILE 34 -3.508 4.165 4.038 1.00 0.00 ATOM 223 O ILE 34 -7.951 6.706 6.531 1.00 0.00 ATOM 224 C ILE 34 -7.141 5.903 7.042 1.00 0.00 ATOM 225 N ARG 35 -7.513 4.958 7.898 1.00 0.00 ATOM 226 CA ARG 35 -8.915 4.799 8.295 1.00 0.00 ATOM 227 CB ARG 35 -9.079 3.583 9.210 1.00 0.00 ATOM 228 CG ARG 35 -10.491 3.390 9.738 1.00 0.00 ATOM 229 CD ARG 35 -11.477 3.146 8.607 1.00 0.00 ATOM 230 NE ARG 35 -11.217 1.883 7.918 1.00 0.00 ATOM 231 CZ ARG 35 -11.786 1.530 6.770 1.00 0.00 ATOM 232 NH1 ARG 35 -11.489 0.362 6.216 1.00 0.00 ATOM 233 NH2 ARG 35 -12.649 2.343 6.178 1.00 0.00 ATOM 234 O ARG 35 -10.519 6.495 8.871 1.00 0.00 ATOM 235 C ARG 35 -9.389 6.047 9.045 1.00 0.00 ATOM 236 N LYS 36 -8.505 6.624 9.858 1.00 0.00 ATOM 237 CA LYS 36 -8.799 7.848 10.567 1.00 0.00 ATOM 238 CB LYS 36 -7.698 8.155 11.584 1.00 0.00 ATOM 239 CG LYS 36 -7.643 7.185 12.752 1.00 0.00 ATOM 240 CD LYS 36 -6.510 7.531 13.704 1.00 0.00 ATOM 241 CE LYS 36 -6.474 6.579 14.889 1.00 0.00 ATOM 242 NZ LYS 36 -5.360 6.898 15.824 1.00 0.00 ATOM 243 O LYS 36 -9.467 10.054 10.040 1.00 0.00 ATOM 244 C LYS 36 -8.912 9.061 9.643 1.00 0.00 ATOM 245 N HIS 37 -8.416 8.977 8.419 1.00 0.00 ATOM 246 CA HIS 37 -8.632 10.037 7.424 1.00 0.00 ATOM 247 CB HIS 37 -7.464 10.091 6.436 1.00 0.00 ATOM 248 CG HIS 37 -6.169 10.516 7.055 1.00 0.00 ATOM 249 CD2 HIS 37 -4.927 9.854 7.424 1.00 0.00 ATOM 250 ND1 HIS 37 -5.917 11.817 7.432 1.00 0.00 ATOM 251 CE1 HIS 37 -4.679 11.890 7.953 1.00 0.00 ATOM 252 NE2 HIS 37 -4.078 10.715 7.950 1.00 0.00 ATOM 253 O HIS 37 -10.143 10.614 5.662 1.00 0.00 ATOM 254 C HIS 37 -9.897 9.852 6.597 1.00 0.00 ATOM 255 N LYS 39 -10.706 8.854 6.932 1.00 0.00 ATOM 256 CA LYS 39 -12.022 8.658 6.259 1.00 0.00 ATOM 257 CB LYS 39 -12.549 9.986 5.716 1.00 0.00 ATOM 258 CG LYS 39 -12.872 11.013 6.790 1.00 0.00 ATOM 259 CD LYS 39 -13.442 12.285 6.185 1.00 0.00 ATOM 260 CE LYS 39 -13.737 13.321 7.257 1.00 0.00 ATOM 261 NZ LYS 39 -14.321 14.565 6.683 1.00 0.00 ATOM 262 O LYS 39 -13.008 7.529 4.355 1.00 0.00 ATOM 263 C LYS 39 -12.006 7.694 5.072 1.00 0.00 ATOM 264 N VAL 40 -10.879 7.022 4.877 1.00 0.00 ATOM 265 CA VAL 40 -10.763 5.998 3.847 1.00 0.00 ATOM 266 CB VAL 40 -9.292 5.736 3.475 1.00 0.00 ATOM 267 CG1 VAL 40 -8.640 7.007 2.953 1.00 0.00 ATOM 268 CG2 VAL 40 -8.512 5.260 4.691 1.00 0.00 ATOM 269 O VAL 40 -11.469 4.388 5.479 1.00 0.00 ATOM 270 C VAL 40 -11.363 4.646 4.293 1.00 0.00 ATOM 271 N ASP 41 -11.710 3.801 3.312 1.00 0.00 ATOM 272 CA ASP 41 -12.211 2.454 3.558 1.00 0.00 ATOM 273 CB ASP 41 -13.261 2.075 2.512 1.00 0.00 ATOM 274 CG ASP 41 -13.848 0.697 2.748 1.00 0.00 ATOM 275 OD1 ASP 41 -13.353 -0.013 3.650 1.00 0.00 ATOM 276 OD2 ASP 41 -14.803 0.327 2.033 1.00 0.00 ATOM 277 O ASP 41 -10.521 1.198 2.386 1.00 0.00 ATOM 278 C ASP 41 -11.032 1.501 3.475 1.00 0.00 ATOM 279 N LEU 42 -10.541 1.087 4.640 1.00 0.00 ATOM 280 CA LEU 42 -9.277 0.351 4.697 1.00 0.00 ATOM 281 CB LEU 42 -8.365 0.936 5.777 1.00 0.00 ATOM 282 CG LEU 42 -7.966 2.403 5.604 1.00 0.00 ATOM 283 CD1 LEU 42 -7.134 2.876 6.786 1.00 0.00 ATOM 284 CD2 LEU 42 -7.145 2.591 4.338 1.00 0.00 ATOM 285 O LEU 42 -10.246 -1.433 5.926 1.00 0.00 ATOM 286 C LEU 42 -9.498 -1.112 5.021 1.00 0.00 ATOM 287 N VAL 43 -8.836 -1.976 4.257 1.00 0.00 ATOM 288 CA VAL 43 -8.645 -3.404 4.627 1.00 0.00 ATOM 289 CB VAL 43 -9.191 -4.347 3.539 1.00 0.00 ATOM 290 CG1 VAL 43 -8.945 -5.799 3.920 1.00 0.00 ATOM 291 CG2 VAL 43 -10.688 -4.144 3.361 1.00 0.00 ATOM 292 O VAL 43 -6.379 -3.274 3.913 1.00 0.00 ATOM 293 C VAL 43 -7.159 -3.629 4.795 1.00 0.00 ATOM 294 N LEU 44 -6.769 -4.220 5.921 1.00 0.00 ATOM 295 CA LEU 44 -5.372 -4.589 6.158 1.00 0.00 ATOM 296 CB LEU 44 -4.879 -3.996 7.479 1.00 0.00 ATOM 297 CG LEU 44 -4.419 -2.537 7.438 1.00 0.00 ATOM 298 CD1 LEU 44 -5.542 -1.634 6.951 1.00 0.00 ATOM 299 CD2 LEU 44 -3.996 -2.068 8.822 1.00 0.00 ATOM 300 O LEU 44 -6.127 -6.795 6.814 1.00 0.00 ATOM 301 C LEU 44 -5.270 -6.118 6.217 1.00 0.00 ATOM 302 N THR 45 -4.261 -6.658 5.546 1.00 0.00 ATOM 303 CA THR 45 -3.985 -8.084 5.582 1.00 0.00 ATOM 304 CB THR 45 -4.204 -8.736 4.205 1.00 0.00 ATOM 305 CG2 THR 45 -3.920 -10.229 4.271 1.00 0.00 ATOM 306 OG1 THR 45 -5.561 -8.540 3.789 1.00 0.00 ATOM 307 O THR 45 -1.597 -7.629 5.574 1.00 0.00 ATOM 308 C THR 45 -2.522 -8.331 6.002 1.00 0.00 ATOM 309 N ASP 46 -2.324 -9.314 6.863 1.00 0.00 ATOM 310 CA ASP 46 -1.012 -9.738 7.307 1.00 0.00 ATOM 311 CB ASP 46 -0.536 -8.874 8.477 1.00 0.00 ATOM 312 CG ASP 46 0.970 -8.901 8.646 1.00 0.00 ATOM 313 OD1 ASP 46 1.647 -9.575 7.840 1.00 0.00 ATOM 314 OD2 ASP 46 1.474 -8.248 9.584 1.00 0.00 ATOM 315 O ASP 46 -2.147 -11.721 8.176 1.00 0.00 ATOM 316 C ASP 46 -1.090 -11.205 7.759 1.00 0.00 ATOM 317 N ILE 47 0.044 -11.878 7.710 1.00 0.00 ATOM 318 CA ILE 47 0.072 -13.315 8.030 1.00 0.00 ATOM 319 CB ILE 47 1.287 -14.011 7.390 1.00 0.00 ATOM 320 CG1 ILE 47 1.275 -13.820 5.873 1.00 0.00 ATOM 321 CG2 ILE 47 1.263 -15.503 7.688 1.00 0.00 ATOM 322 CD1 ILE 47 2.530 -14.309 5.185 1.00 0.00 ATOM 323 O ILE 47 -0.064 -14.654 10.003 1.00 0.00 ATOM 324 C ILE 47 0.152 -13.563 9.550 1.00 0.00 ATOM 328 N PRO 49 -7.855 -0.241 15.733 1.00 0.00 ATOM 329 CA PRO 49 -8.464 0.442 14.604 1.00 0.00 ATOM 330 CB PRO 49 -7.403 0.358 13.504 1.00 0.00 ATOM 331 CG PRO 49 -6.698 -0.931 13.763 1.00 0.00 ATOM 332 CD PRO 49 -6.589 -1.056 15.257 1.00 0.00 ATOM 333 O PRO 49 -9.804 -0.845 13.128 1.00 0.00 ATOM 334 C PRO 49 -9.756 -0.252 14.191 1.00 0.00 ATOM 335 N SER 50 -10.828 -0.130 15.017 1.00 0.00 ATOM 336 CA SER 50 -12.093 -0.818 14.725 1.00 0.00 ATOM 337 CB SER 50 -13.001 -0.816 15.958 1.00 0.00 ATOM 338 OG SER 50 -13.422 0.496 16.279 1.00 0.00 ATOM 339 O SER 50 -13.867 -0.843 13.130 1.00 0.00 ATOM 340 C SER 50 -12.941 -0.209 13.583 1.00 0.00 ATOM 341 N HIS 51 -12.597 0.991 13.132 1.00 0.00 ATOM 342 CA HIS 51 -13.199 1.602 11.928 1.00 0.00 ATOM 343 CB HIS 51 -13.068 3.126 11.978 1.00 0.00 ATOM 344 CG HIS 51 -13.879 3.767 13.059 1.00 0.00 ATOM 345 CD2 HIS 51 -13.586 4.449 14.312 1.00 0.00 ATOM 346 ND1 HIS 51 -15.256 3.817 13.027 1.00 0.00 ATOM 347 CE1 HIS 51 -15.698 4.451 14.128 1.00 0.00 ATOM 348 NE2 HIS 51 -14.702 4.832 14.903 1.00 0.00 ATOM 349 O HIS 51 -12.834 1.671 9.525 1.00 0.00 ATOM 350 C HIS 51 -12.539 1.137 10.606 1.00 0.00 ATOM 351 N GLY 52 -11.613 0.184 10.701 1.00 0.00 ATOM 352 CA GLY 52 -11.041 -0.439 9.534 1.00 0.00 ATOM 353 O GLY 52 -12.041 -2.438 10.475 1.00 0.00 ATOM 354 C GLY 52 -11.396 -1.939 9.550 1.00 0.00 ATOM 355 N GLY 53 -10.989 -2.652 8.508 1.00 0.00 ATOM 356 CA GLY 53 -11.216 -4.081 8.436 1.00 0.00 ATOM 357 O GLY 53 -8.970 -4.293 7.697 1.00 0.00 ATOM 358 C GLY 53 -9.880 -4.787 8.336 1.00 0.00 ATOM 359 N ILE 54 -9.766 -5.935 8.992 1.00 0.00 ATOM 360 CA ILE 54 -8.477 -6.592 9.166 1.00 0.00 ATOM 361 CB ILE 54 -7.890 -6.323 10.564 1.00 0.00 ATOM 362 CG1 ILE 54 -8.854 -6.806 11.649 1.00 0.00 ATOM 363 CG2 ILE 54 -7.648 -4.835 10.762 1.00 0.00 ATOM 364 CD1 ILE 54 -8.292 -6.711 13.051 1.00 0.00 ATOM 365 O ILE 54 -9.622 -8.683 9.437 1.00 0.00 ATOM 366 C ILE 54 -8.631 -8.100 8.999 1.00 0.00 ATOM 367 N VAL 55 -7.644 -8.723 8.360 1.00 0.00 ATOM 368 CA VAL 55 -7.721 -10.157 8.060 1.00 0.00 ATOM 369 CB VAL 55 -8.291 -10.408 6.650 1.00 0.00 ATOM 370 CG1 VAL 55 -7.377 -9.809 5.592 1.00 0.00 ATOM 371 CG2 VAL 55 -8.419 -11.900 6.387 1.00 0.00 ATOM 372 O VAL 55 -5.358 -10.178 7.768 1.00 0.00 ATOM 373 C VAL 55 -6.355 -10.803 8.121 1.00 0.00 ATOM 374 N ARG 56 -6.303 -12.041 8.617 1.00 0.00 ATOM 375 CA ARG 56 -5.066 -12.825 8.648 1.00 0.00 ATOM 376 CB ARG 56 -5.106 -13.843 9.790 1.00 0.00 ATOM 377 CG ARG 56 -3.846 -14.685 9.916 1.00 0.00 ATOM 378 CD ARG 56 -3.952 -15.667 11.069 1.00 0.00 ATOM 379 NE ARG 56 -2.778 -16.534 11.160 1.00 0.00 ATOM 380 CZ ARG 56 -2.677 -17.573 11.983 1.00 0.00 ATOM 381 NH1 ARG 56 -1.572 -18.303 11.995 1.00 0.00 ATOM 382 NH2 ARG 56 -3.683 -17.877 12.792 1.00 0.00 ATOM 383 O ARG 56 -5.898 -14.203 6.869 1.00 0.00 ATOM 384 C ARG 56 -4.959 -13.546 7.305 1.00 0.00 ATOM 385 N ASP 57 -3.818 -13.447 6.654 1.00 0.00 ATOM 386 CA ASP 57 -3.589 -14.202 5.436 1.00 0.00 ATOM 387 CB ASP 57 -4.567 -13.765 4.343 1.00 0.00 ATOM 388 CG ASP 57 -4.768 -14.829 3.282 1.00 0.00 ATOM 389 OD1 ASP 57 -4.128 -15.896 3.382 1.00 0.00 ATOM 390 OD2 ASP 57 -5.566 -14.593 2.351 1.00 0.00 ATOM 391 O ASP 57 -1.513 -13.018 5.257 1.00 0.00 ATOM 392 C ASP 57 -2.185 -13.997 4.916 1.00 0.00 ATOM 393 N ASP 58 -1.730 -14.955 4.120 1.00 0.00 ATOM 394 CA ASP 58 -0.408 -14.919 3.542 1.00 0.00 ATOM 395 CB ASP 58 0.329 -16.232 3.807 1.00 0.00 ATOM 396 CG ASP 58 1.738 -16.232 3.251 1.00 0.00 ATOM 397 OD1 ASP 58 2.122 -15.235 2.606 1.00 0.00 ATOM 398 OD2 ASP 58 2.460 -17.231 3.460 1.00 0.00 ATOM 399 O ASP 58 -1.138 -15.585 1.399 1.00 0.00 ATOM 400 C ASP 58 -0.635 -14.709 2.076 1.00 0.00 ATOM 401 N ILE 59 -0.244 -13.530 1.611 1.00 0.00 ATOM 402 CA ILE 59 -0.437 -13.062 0.241 1.00 0.00 ATOM 403 CB ILE 59 0.113 -11.637 0.049 1.00 0.00 ATOM 404 CG1 ILE 59 1.617 -11.603 0.330 1.00 0.00 ATOM 405 CG2 ILE 59 -0.576 -10.668 0.997 1.00 0.00 ATOM 406 CD1 ILE 59 2.271 -10.278 0.001 1.00 0.00 ATOM 407 O ILE 59 -0.167 -13.826 -1.953 1.00 0.00 ATOM 408 C ILE 59 0.226 -13.885 -0.815 1.00 0.00 ATOM 409 N THR 60 1.260 -14.616 -0.445 1.00 0.00 ATOM 410 CA THR 60 1.925 -15.514 -1.368 1.00 0.00 ATOM 411 CB THR 60 3.300 -15.957 -0.835 1.00 0.00 ATOM 412 CG2 THR 60 4.195 -14.750 -0.603 1.00 0.00 ATOM 413 OG1 THR 60 3.133 -16.654 0.406 1.00 0.00 ATOM 414 O THR 60 1.368 -17.459 -2.674 1.00 0.00 ATOM 415 C THR 60 1.138 -16.815 -1.653 1.00 0.00 ATOM 416 N SER 61 0.228 -17.200 -0.766 1.00 0.00 ATOM 417 CA SER 61 -0.502 -18.475 -0.909 1.00 0.00 ATOM 418 CB SER 61 -0.169 -19.416 0.249 1.00 0.00 ATOM 419 OG SER 61 1.201 -19.776 0.237 1.00 0.00 ATOM 420 O SER 61 -2.715 -19.067 -1.557 1.00 0.00 ATOM 421 C SER 61 -2.020 -18.296 -0.921 1.00 0.00 ATOM 422 N PRO 62 -2.512 -17.264 -0.235 1.00 0.00 ATOM 423 CA PRO 62 -3.939 -17.022 -0.046 1.00 0.00 ATOM 424 CB PRO 62 -4.061 -16.663 1.436 1.00 0.00 ATOM 425 CG PRO 62 -2.745 -16.048 1.781 1.00 0.00 ATOM 426 CD PRO 62 -1.745 -16.646 0.832 1.00 0.00 ATOM 427 O PRO 62 -3.981 -14.731 -0.747 1.00 0.00 ATOM 428 C PRO 62 -4.390 -15.880 -0.950 1.00 0.00 ATOM 429 N ARG 63 -5.213 -16.175 -1.951 1.00 0.00 ATOM 430 CA ARG 63 -5.749 -15.105 -2.821 1.00 0.00 ATOM 431 CB ARG 63 -6.681 -15.693 -3.881 1.00 0.00 ATOM 432 CG ARG 63 -7.225 -14.670 -4.867 1.00 0.00 ATOM 433 CD ARG 63 -8.138 -15.322 -5.891 1.00 0.00 ATOM 434 NE ARG 63 -8.717 -14.344 -6.809 1.00 0.00 ATOM 435 CZ ARG 63 -9.532 -14.651 -7.813 1.00 0.00 ATOM 436 NH1 ARG 63 -10.010 -13.695 -8.596 1.00 0.00 ATOM 437 NH2 ARG 63 -9.867 -15.916 -8.031 1.00 0.00 ATOM 438 O ARG 63 -7.323 -14.398 -1.118 1.00 0.00 ATOM 439 C ARG 63 -6.555 -14.052 -2.016 1.00 0.00 ATOM 440 N MET 64 -6.330 -12.780 -2.325 1.00 0.00 ATOM 441 CA MET 64 -7.165 -11.686 -1.849 1.00 0.00 ATOM 442 CB MET 64 -6.451 -10.346 -2.035 1.00 0.00 ATOM 443 CG MET 64 -7.238 -9.148 -1.531 1.00 0.00 ATOM 444 SD MET 64 -7.548 -9.216 0.243 1.00 0.00 ATOM 445 CE MET 64 -5.884 -9.036 0.885 1.00 0.00 ATOM 446 O MET 64 -8.394 -11.595 -3.901 1.00 0.00 ATOM 447 C MET 64 -8.453 -11.734 -2.686 1.00 0.00 ATOM 448 N GLU 65 -9.603 -11.958 -2.056 1.00 0.00 ATOM 449 CA GLU 65 -10.852 -12.086 -2.800 1.00 0.00 ATOM 450 CB GLU 65 -11.875 -12.890 -1.995 1.00 0.00 ATOM 451 CG GLU 65 -11.454 -14.323 -1.711 1.00 0.00 ATOM 452 CD GLU 65 -12.398 -15.028 -0.757 1.00 0.00 ATOM 453 OE1 GLU 65 -13.348 -14.380 -0.272 1.00 0.00 ATOM 454 OE2 GLU 65 -12.187 -16.231 -0.495 1.00 0.00 ATOM 455 O GLU 65 -12.273 -10.588 -4.036 1.00 0.00 ATOM 456 C GLU 65 -11.485 -10.718 -3.118 1.00 0.00 ATOM 460 N ARG 68 -11.568 -6.741 -4.372 1.00 0.00 ATOM 461 CA ARG 68 -10.906 -6.063 -5.474 1.00 0.00 ATOM 462 CB ARG 68 -11.229 -6.754 -6.801 1.00 0.00 ATOM 463 CG ARG 68 -10.656 -8.156 -6.926 1.00 0.00 ATOM 464 CD ARG 68 -11.034 -8.791 -8.253 1.00 0.00 ATOM 465 NE ARG 68 -10.520 -10.153 -8.374 1.00 0.00 ATOM 466 CZ ARG 68 -10.763 -10.955 -9.407 1.00 0.00 ATOM 467 NH1 ARG 68 -10.254 -12.178 -9.431 1.00 0.00 ATOM 468 NH2 ARG 68 -11.518 -10.531 -10.412 1.00 0.00 ATOM 469 O ARG 68 -12.052 -4.075 -4.661 1.00 0.00 ATOM 470 C ARG 68 -11.364 -4.608 -5.567 1.00 0.00 ATOM 471 N GLY 69 -10.986 -3.966 -6.667 1.00 0.00 ATOM 472 CA GLY 69 -11.368 -2.568 -6.911 1.00 0.00 ATOM 473 O GLY 69 -11.420 -0.639 -5.496 1.00 0.00 ATOM 474 C GLY 69 -10.804 -1.634 -5.857 1.00 0.00 ATOM 475 N ALA 70 -9.613 -1.955 -5.357 1.00 0.00 ATOM 476 CA ALA 70 -8.904 -1.007 -4.511 1.00 0.00 ATOM 477 CB ALA 70 -7.739 -1.690 -3.811 1.00 0.00 ATOM 478 O ALA 70 -7.730 -0.065 -6.378 1.00 0.00 ATOM 479 C ALA 70 -8.362 0.141 -5.346 1.00 0.00 ATOM 480 N ALA 71 -8.614 1.349 -4.880 1.00 0.00 ATOM 481 CA ALA 71 -8.036 2.561 -5.449 1.00 0.00 ATOM 482 CB ALA 71 -8.665 3.795 -4.819 1.00 0.00 ATOM 483 O ALA 71 -5.756 2.966 -6.114 1.00 0.00 ATOM 484 C ALA 71 -6.544 2.627 -5.213 1.00 0.00 ATOM 485 N LEU 72 -6.148 2.314 -3.991 1.00 0.00 ATOM 486 CA LEU 72 -4.738 2.218 -3.630 1.00 0.00 ATOM 487 CB LEU 72 -4.330 3.395 -2.741 1.00 0.00 ATOM 488 CG LEU 72 -4.436 4.787 -3.369 1.00 0.00 ATOM 489 CD1 LEU 72 -4.181 5.866 -2.329 1.00 0.00 ATOM 490 CD2 LEU 72 -3.415 4.951 -4.485 1.00 0.00 ATOM 491 O LEU 72 -5.216 0.470 -2.022 1.00 0.00 ATOM 492 C LEU 72 -4.429 0.943 -2.871 1.00 0.00 ATOM 493 N ILE 73 -3.268 0.394 -3.155 1.00 0.00 ATOM 494 CA ILE 73 -2.697 -0.681 -2.361 1.00 0.00 ATOM 495 CB ILE 73 -2.606 -1.990 -3.166 1.00 0.00 ATOM 496 CG1 ILE 73 -3.997 -2.435 -3.620 1.00 0.00 ATOM 497 CG2 ILE 73 -2.000 -3.096 -2.317 1.00 0.00 ATOM 498 CD1 ILE 73 -3.982 -3.616 -4.567 1.00 0.00 ATOM 499 O ILE 73 -0.432 0.035 -2.747 1.00 0.00 ATOM 500 C ILE 73 -1.292 -0.278 -1.918 1.00 0.00 ATOM 501 N TYR 74 -1.054 -0.312 -0.614 1.00 0.00 ATOM 502 CA TYR 74 0.260 0.027 -0.043 1.00 0.00 ATOM 503 CB TYR 74 0.114 1.110 1.029 1.00 0.00 ATOM 504 CG TYR 74 1.412 1.470 1.715 1.00 0.00 ATOM 505 CD1 TYR 74 2.350 2.279 1.086 1.00 0.00 ATOM 506 CD2 TYR 74 1.696 1.002 2.992 1.00 0.00 ATOM 507 CE1 TYR 74 3.538 2.616 1.705 1.00 0.00 ATOM 508 CE2 TYR 74 2.879 1.327 3.627 1.00 0.00 ATOM 509 CZ TYR 74 3.802 2.141 2.972 1.00 0.00 ATOM 510 OH TYR 74 4.986 2.473 3.591 1.00 0.00 ATOM 511 O TYR 74 0.331 -1.896 1.416 1.00 0.00 ATOM 512 C TYR 74 0.947 -1.176 0.615 1.00 0.00 ATOM 513 N SER 75 2.230 -1.386 0.286 1.00 0.00 ATOM 514 CA SER 75 3.131 -2.270 1.065 1.00 0.00 ATOM 515 CB SER 75 3.716 -3.363 0.169 1.00 0.00 ATOM 516 OG SER 75 4.626 -4.179 0.888 1.00 0.00 ATOM 517 O SER 75 5.080 -0.932 0.899 1.00 0.00 ATOM 518 C SER 75 4.266 -1.446 1.646 1.00 0.00 ATOM 519 N ILE 76 4.274 -1.295 2.964 1.00 0.00 ATOM 520 CA ILE 76 5.306 -0.519 3.699 1.00 0.00 ATOM 521 CB ILE 76 4.687 0.683 4.436 1.00 0.00 ATOM 522 CG1 ILE 76 3.665 0.208 5.469 1.00 0.00 ATOM 523 CG2 ILE 76 3.986 1.608 3.453 1.00 0.00 ATOM 524 CD1 ILE 76 3.215 1.291 6.427 1.00 0.00 ATOM 525 O ILE 76 6.930 -0.801 5.445 1.00 0.00 ATOM 526 C ILE 76 6.033 -1.338 4.747 1.00 0.00 ATOM 527 N ARG 77 5.723 -2.643 4.829 1.00 0.00 ATOM 528 CA ARG 77 6.337 -3.519 5.840 1.00 0.00 ATOM 529 CB ARG 77 5.900 -4.969 5.627 1.00 0.00 ATOM 530 CG ARG 77 6.391 -5.929 6.700 1.00 0.00 ATOM 531 CD ARG 77 5.492 -5.892 7.924 1.00 0.00 ATOM 532 NE ARG 77 5.917 -4.879 8.886 1.00 0.00 ATOM 533 CZ ARG 77 5.187 -4.479 9.923 1.00 0.00 ATOM 534 NH1 ARG 77 5.656 -3.552 10.746 1.00 0.00 ATOM 535 NH2 ARG 77 3.990 -5.009 10.135 1.00 0.00 ATOM 536 O ARG 77 8.496 -3.617 6.898 1.00 0.00 ATOM 537 C ARG 77 7.868 -3.547 5.855 1.00 0.00 ATOM 538 N PRO 78 8.459 -3.498 4.675 1.00 0.00 ATOM 539 CA PRO 78 9.892 -3.622 4.512 1.00 0.00 ATOM 540 CB PRO 78 10.453 -2.394 5.233 1.00 0.00 ATOM 541 CG PRO 78 9.444 -2.089 6.289 1.00 0.00 ATOM 542 CD PRO 78 8.106 -2.440 5.703 1.00 0.00 ATOM 543 O PRO 78 11.520 -4.834 5.731 1.00 0.00 ATOM 544 C PRO 78 10.480 -4.894 5.108 1.00 0.00 ATOM 545 N PRO 79 9.831 -6.032 4.881 1.00 0.00 ATOM 546 CA PRO 79 10.270 -7.351 5.437 1.00 0.00 ATOM 547 CB PRO 79 9.238 -7.655 6.525 1.00 0.00 ATOM 548 CG PRO 79 7.998 -6.964 6.068 1.00 0.00 ATOM 549 CD PRO 79 8.451 -5.709 5.376 1.00 0.00 ATOM 550 O PRO 79 9.823 -9.556 4.534 1.00 0.00 ATOM 551 C PRO 79 10.267 -8.431 4.319 1.00 0.00 ATOM 552 N ALA 80 9.699 -18.538 -4.326 1.00 0.00 ATOM 553 CA ALA 80 8.557 -19.042 -5.086 1.00 0.00 ATOM 554 CB ALA 80 8.356 -20.526 -4.819 1.00 0.00 ATOM 555 O ALA 80 6.258 -18.503 -5.513 1.00 0.00 ATOM 556 C ALA 80 7.219 -18.358 -4.757 1.00 0.00 ATOM 557 N GLU 81 7.165 -17.598 -3.659 1.00 0.00 ATOM 558 CA GLU 81 5.962 -16.823 -3.308 1.00 0.00 ATOM 559 CB GLU 81 5.849 -16.666 -1.790 1.00 0.00 ATOM 560 CG GLU 81 5.714 -17.979 -1.038 1.00 0.00 ATOM 561 CD GLU 81 7.053 -18.631 -0.759 1.00 0.00 ATOM 562 OE1 GLU 81 8.093 -18.006 -1.057 1.00 0.00 ATOM 563 OE2 GLU 81 7.063 -19.768 -0.242 1.00 0.00 ATOM 564 O GLU 81 4.835 -14.769 -3.766 1.00 0.00 ATOM 565 C GLU 81 5.884 -15.414 -3.866 1.00 0.00 ATOM 566 N ILE 82 6.965 -14.945 -4.491 1.00 0.00 ATOM 567 CA ILE 82 7.083 -13.550 -4.924 1.00 0.00 ATOM 568 CB ILE 82 8.517 -13.221 -5.382 1.00 0.00 ATOM 569 CG1 ILE 82 9.481 -13.275 -4.196 1.00 0.00 ATOM 570 CG2 ILE 82 8.576 -11.827 -5.988 1.00 0.00 ATOM 571 CD1 ILE 82 10.940 -13.228 -4.592 1.00 0.00 ATOM 572 O ILE 82 5.426 -12.175 -6.041 1.00 0.00 ATOM 573 C ILE 82 6.173 -13.176 -6.096 1.00 0.00 ATOM 574 N HIS 83 6.203 -13.974 -7.149 1.00 0.00 ATOM 575 CA HIS 83 5.279 -13.778 -8.247 1.00 0.00 ATOM 576 CB HIS 83 5.538 -14.802 -9.354 1.00 0.00 ATOM 577 CG HIS 83 4.585 -14.703 -10.504 1.00 0.00 ATOM 578 CD2 HIS 83 3.449 -15.479 -10.982 1.00 0.00 ATOM 579 ND1 HIS 83 4.651 -13.693 -11.440 1.00 0.00 ATOM 580 CE1 HIS 83 3.670 -13.871 -12.344 1.00 0.00 ATOM 581 NE2 HIS 83 2.946 -14.939 -12.076 1.00 0.00 ATOM 582 O HIS 83 2.999 -13.068 -8.175 1.00 0.00 ATOM 583 C HIS 83 3.807 -13.924 -7.839 1.00 0.00 ATOM 584 N SER 84 3.438 -15.008 -7.143 1.00 0.00 ATOM 585 CA SER 84 2.057 -15.093 -6.641 1.00 0.00 ATOM 586 CB SER 84 1.868 -16.359 -5.801 1.00 0.00 ATOM 587 OG SER 84 1.998 -17.523 -6.599 1.00 0.00 ATOM 588 O SER 84 0.482 -13.454 -5.848 1.00 0.00 ATOM 589 C SER 84 1.610 -13.919 -5.742 1.00 0.00 ATOM 590 N SER 85 2.482 -13.485 -4.843 1.00 0.00 ATOM 591 CA SER 85 2.240 -12.299 -4.051 1.00 0.00 ATOM 592 CB SER 85 3.473 -11.952 -3.214 1.00 0.00 ATOM 593 OG SER 85 3.252 -10.788 -2.437 1.00 0.00 ATOM 594 O SER 85 0.918 -10.402 -4.663 1.00 0.00 ATOM 595 C SER 85 1.913 -11.087 -4.922 1.00 0.00 ATOM 596 N LEU 86 2.729 -10.814 -5.943 1.00 0.00 ATOM 597 CA LEU 86 2.491 -9.639 -6.786 1.00 0.00 ATOM 598 CB LEU 86 3.698 -9.376 -7.690 1.00 0.00 ATOM 599 CG LEU 86 4.975 -8.899 -6.995 1.00 0.00 ATOM 600 CD1 LEU 86 6.136 -8.851 -7.975 1.00 0.00 ATOM 601 CD2 LEU 86 4.783 -7.507 -6.414 1.00 0.00 ATOM 602 O LEU 86 0.570 -8.793 -7.923 1.00 0.00 ATOM 603 C LEU 86 1.264 -9.787 -7.708 1.00 0.00 ATOM 604 N MET 87 1.012 -10.994 -8.248 1.00 0.00 ATOM 605 CA MET 87 -0.177 -11.255 -9.028 1.00 0.00 ATOM 606 CB MET 87 -0.186 -12.703 -9.523 1.00 0.00 ATOM 607 CG MET 87 0.880 -13.009 -10.562 1.00 0.00 ATOM 608 SD MET 87 0.706 -12.010 -12.052 1.00 0.00 ATOM 609 CE MET 87 -0.814 -12.673 -12.731 1.00 0.00 ATOM 610 O MET 87 -2.444 -10.538 -8.615 1.00 0.00 ATOM 611 C MET 87 -1.395 -11.014 -8.154 1.00 0.00 ATOM 612 N ARG 88 -1.241 -11.315 -6.870 1.00 0.00 ATOM 613 CA ARG 88 -2.337 -11.160 -5.927 1.00 0.00 ATOM 614 CB ARG 88 -1.946 -11.713 -4.556 1.00 0.00 ATOM 615 CG ARG 88 -3.046 -11.615 -3.510 1.00 0.00 ATOM 616 CD ARG 88 -2.624 -12.264 -2.202 1.00 0.00 ATOM 617 NE ARG 88 -3.691 -12.229 -1.205 1.00 0.00 ATOM 618 CZ ARG 88 -3.931 -11.196 -0.404 1.00 0.00 ATOM 619 NH1 ARG 88 -4.924 -11.255 0.474 1.00 0.00 ATOM 620 NH2 ARG 88 -3.179 -10.107 -0.481 1.00 0.00 ATOM 621 O ARG 88 -3.897 -9.328 -5.812 1.00 0.00 ATOM 622 C ARG 88 -2.707 -9.685 -5.764 1.00 0.00 ATOM 623 N VAL 89 -1.672 -8.838 -5.631 1.00 0.00 ATOM 624 CA VAL 89 -1.801 -7.367 -5.557 1.00 0.00 ATOM 625 CB VAL 89 -0.425 -6.684 -5.452 1.00 0.00 ATOM 626 CG1 VAL 89 -0.567 -5.176 -5.579 1.00 0.00 ATOM 627 CG2 VAL 89 0.223 -6.995 -4.112 1.00 0.00 ATOM 628 O VAL 89 -3.451 -6.047 -6.703 1.00 0.00 ATOM 629 C VAL 89 -2.488 -6.812 -6.784 1.00 0.00 ATOM 630 N ALA 90 -1.980 -7.247 -7.931 1.00 0.00 ATOM 631 CA ALA 90 -2.498 -6.884 -9.207 1.00 0.00 ATOM 632 CB ALA 90 -1.780 -7.649 -10.308 1.00 0.00 ATOM 633 O ALA 90 -4.738 -6.307 -9.787 1.00 0.00 ATOM 634 C ALA 90 -3.998 -7.176 -9.363 1.00 0.00 ATOM 635 N ASP 91 -4.441 -8.367 -8.983 1.00 0.00 ATOM 636 CA ASP 91 -5.840 -8.735 -9.089 1.00 0.00 ATOM 637 CB ASP 91 -6.043 -10.195 -8.683 1.00 0.00 ATOM 638 CG ASP 91 -5.516 -11.168 -9.718 1.00 0.00 ATOM 639 OD1 ASP 91 -5.212 -10.728 -10.848 1.00 0.00 ATOM 640 OD2 ASP 91 -5.407 -12.371 -9.402 1.00 0.00 ATOM 641 O ASP 91 -7.851 -7.530 -8.558 1.00 0.00 ATOM 642 C ASP 91 -6.740 -7.869 -8.183 1.00 0.00 ATOM 643 N ALA 92 -6.240 -7.520 -6.997 1.00 0.00 ATOM 644 CA ALA 92 -7.002 -6.728 -6.033 1.00 0.00 ATOM 645 CB ALA 92 -6.357 -6.802 -4.658 1.00 0.00 ATOM 646 O ALA 92 -7.917 -4.507 -5.923 1.00 0.00 ATOM 647 C ALA 92 -7.079 -5.244 -6.426 1.00 0.00 ATOM 648 N VAL 93 -6.214 -4.819 -7.336 1.00 0.00 ATOM 649 CA VAL 93 -6.151 -3.433 -7.770 1.00 0.00 ATOM 650 CB VAL 93 -4.842 -3.137 -8.524 1.00 0.00 ATOM 651 CG1 VAL 93 -4.794 -1.680 -8.959 1.00 0.00 ATOM 652 CG2 VAL 93 -3.639 -3.413 -7.633 1.00 0.00 ATOM 653 O VAL 93 -7.675 -3.962 -9.542 1.00 0.00 ATOM 654 C VAL 93 -7.322 -3.139 -8.701 1.00 0.00 ATOM 655 N GLY 94 -8.204 1.576 -12.439 1.00 0.00 ATOM 656 CA GLY 94 -7.500 2.857 -12.326 1.00 0.00 ATOM 657 O GLY 94 -6.435 4.185 -10.651 1.00 0.00 ATOM 658 C GLY 94 -6.774 3.055 -11.006 1.00 0.00 ATOM 659 N ALA 95 -6.522 1.964 -10.291 1.00 0.00 ATOM 660 CA ALA 95 -5.820 2.041 -9.026 1.00 0.00 ATOM 661 CB ALA 95 -6.192 0.862 -8.141 1.00 0.00 ATOM 662 O ALA 95 -3.742 1.680 -10.234 1.00 0.00 ATOM 663 C ALA 95 -4.314 2.025 -9.164 1.00 0.00 ATOM 664 N ARG 96 -3.659 2.396 -8.079 1.00 0.00 ATOM 665 CA ARG 96 -2.202 2.258 -8.005 1.00 0.00 ATOM 666 CB ARG 96 -1.536 3.634 -7.938 1.00 0.00 ATOM 667 CG ARG 96 -1.750 4.487 -9.178 1.00 0.00 ATOM 668 CD ARG 96 -1.114 5.859 -9.019 1.00 0.00 ATOM 669 NE ARG 96 -1.291 6.684 -10.212 1.00 0.00 ATOM 670 CZ ARG 96 -0.859 7.936 -10.324 1.00 0.00 ATOM 671 NH1 ARG 96 -1.066 8.611 -11.446 1.00 0.00 ATOM 672 NH2 ARG 96 -0.222 8.511 -9.313 1.00 0.00 ATOM 673 O ARG 96 -2.334 1.543 -5.712 1.00 0.00 ATOM 674 C ARG 96 -1.733 1.480 -6.789 1.00 0.00 ATOM 675 N LEU 97 -0.652 0.731 -7.006 1.00 0.00 ATOM 676 CA LEU 97 0.065 0.010 -5.996 1.00 0.00 ATOM 677 CB LEU 97 0.417 -1.395 -6.489 1.00 0.00 ATOM 678 CG LEU 97 1.220 -2.270 -5.525 1.00 0.00 ATOM 679 CD1 LEU 97 0.392 -2.619 -4.299 1.00 0.00 ATOM 680 CD2 LEU 97 1.641 -3.567 -6.199 1.00 0.00 ATOM 681 O LEU 97 2.030 1.260 -6.588 1.00 0.00 ATOM 682 C LEU 97 1.355 0.796 -5.685 1.00 0.00 ATOM 683 N ILE 98 1.649 0.978 -4.393 1.00 0.00 ATOM 684 CA ILE 98 2.820 1.677 -3.942 1.00 0.00 ATOM 685 CB ILE 98 2.454 2.995 -3.235 1.00 0.00 ATOM 686 CG1 ILE 98 1.687 3.915 -4.186 1.00 0.00 ATOM 687 CG2 ILE 98 3.710 3.717 -2.772 1.00 0.00 ATOM 688 CD1 ILE 98 1.154 5.168 -3.526 1.00 0.00 ATOM 689 O ILE 98 3.111 0.492 -1.872 1.00 0.00 ATOM 690 C ILE 98 3.577 0.782 -2.959 1.00 0.00 ATOM 691 N ILE 99 4.755 0.333 -3.362 1.00 0.00 ATOM 692 CA ILE 99 5.489 -0.668 -2.619 1.00 0.00 ATOM 693 CB ILE 99 5.642 -1.969 -3.427 1.00 0.00 ATOM 694 CG1 ILE 99 4.269 -2.553 -3.764 1.00 0.00 ATOM 695 CG2 ILE 99 6.423 -3.003 -2.628 1.00 0.00 ATOM 696 CD1 ILE 99 4.322 -3.723 -4.724 1.00 0.00 ATOM 697 O ILE 99 7.576 0.258 -3.210 1.00 0.00 ATOM 698 C ILE 99 6.869 -0.102 -2.307 1.00 0.00 ATOM 699 N LYS 100 7.194 -0.017 -1.013 1.00 0.00 ATOM 700 CA LYS 100 8.432 0.545 -0.495 1.00 0.00 ATOM 701 CB LYS 100 8.141 1.773 0.371 1.00 0.00 ATOM 702 CG LYS 100 9.386 2.478 0.886 1.00 0.00 ATOM 703 CD LYS 100 9.025 3.689 1.730 1.00 0.00 ATOM 704 CE LYS 100 10.270 4.411 2.221 1.00 0.00 ATOM 705 NZ LYS 100 9.935 5.678 2.928 1.00 0.00 ATOM 706 O LYS 100 8.694 -1.017 1.334 1.00 0.00 ATOM 707 C LYS 100 9.222 -0.437 0.371 1.00 0.00 ATOM 708 N PRO 101 10.487 -0.642 0.003 1.00 0.00 ATOM 709 CA PRO 101 11.403 -1.422 0.812 1.00 0.00 ATOM 710 CB PRO 101 11.122 -2.869 0.403 1.00 0.00 ATOM 711 CG PRO 101 10.610 -2.768 -0.996 1.00 0.00 ATOM 712 CD PRO 101 9.822 -1.490 -1.061 1.00 0.00 ATOM 713 O PRO 101 13.121 -0.385 -0.484 1.00 0.00 ATOM 714 C PRO 101 12.839 -1.034 0.530 1.00 0.00 ATOM 715 N LEU 102 13.739 -1.404 1.457 1.00 0.00 ATOM 716 CA LEU 102 15.155 -1.090 1.348 1.00 0.00 ATOM 717 CB LEU 102 15.789 -0.990 2.736 1.00 0.00 ATOM 718 CG LEU 102 15.226 0.089 3.665 1.00 0.00 ATOM 719 CD1 LEU 102 15.886 0.019 5.032 1.00 0.00 ATOM 720 CD2 LEU 102 15.471 1.474 3.088 1.00 0.00 ATOM 721 O LEU 102 15.710 -3.291 0.509 1.00 0.00 ATOM 722 C LEU 102 16.018 -2.089 0.585 1.00 0.00 ATOM 723 N THR 103 17.099 -1.547 0.028 1.00 0.00 ATOM 724 CA THR 103 18.222 -2.308 -0.542 1.00 0.00 ATOM 725 CB THR 103 19.336 -1.373 -1.051 1.00 0.00 ATOM 726 CG2 THR 103 20.469 -2.182 -1.664 1.00 0.00 ATOM 727 OG1 THR 103 18.804 -0.491 -2.046 1.00 0.00 ATOM 728 O THR 103 18.909 -2.866 1.691 1.00 0.00 ATOM 729 C THR 103 18.819 -3.225 0.511 1.00 0.00 ATOM 730 N GLY 104 19.213 -4.417 0.091 1.00 0.00 ATOM 731 CA GLY 104 19.875 -5.364 0.990 1.00 0.00 ATOM 732 O GLY 104 19.446 -6.454 3.060 1.00 0.00 ATOM 733 C GLY 104 18.959 -5.922 2.073 1.00 0.00 ATOM 734 N GLU 105 17.638 -5.781 1.887 1.00 0.00 ATOM 735 CA GLU 105 16.648 -6.302 2.834 1.00 0.00 ATOM 736 CB GLU 105 15.760 -5.172 3.356 1.00 0.00 ATOM 737 CG GLU 105 16.507 -4.110 4.148 1.00 0.00 ATOM 738 CD GLU 105 17.185 -4.673 5.382 1.00 0.00 ATOM 739 OE1 GLU 105 16.496 -5.336 6.187 1.00 0.00 ATOM 740 OE2 GLU 105 18.402 -4.450 5.544 1.00 0.00 ATOM 741 O GLU 105 14.530 -7.362 2.340 1.00 0.00 ATOM 742 C GLU 105 15.745 -7.355 2.157 1.00 0.00 ATOM 743 N ASP 106 16.373 -8.244 1.373 1.00 0.00 ATOM 744 CA ASP 106 15.724 -9.477 0.875 1.00 0.00 ATOM 745 CB ASP 106 14.441 -9.761 1.661 1.00 0.00 ATOM 746 CG ASP 106 14.716 -10.230 3.075 1.00 0.00 ATOM 747 OD1 ASP 106 15.876 -10.589 3.368 1.00 0.00 ATOM 748 OD2 ASP 106 13.771 -10.239 3.892 1.00 0.00 ATOM 749 O ASP 106 14.879 -10.626 -1.037 1.00 0.00 ATOM 750 C ASP 106 15.279 -9.551 -0.585 1.00 0.00 ATOM 751 N ILE 107 15.361 -8.445 -1.332 1.00 0.00 ATOM 752 CA ILE 107 14.915 -8.442 -2.737 1.00 0.00 ATOM 753 CB ILE 107 13.418 -8.098 -2.853 1.00 0.00 ATOM 754 CG1 ILE 107 12.976 -8.129 -4.318 1.00 0.00 ATOM 755 CG2 ILE 107 13.147 -6.709 -2.296 1.00 0.00 ATOM 756 CD1 ILE 107 11.475 -8.096 -4.503 1.00 0.00 ATOM 757 O ILE 107 15.679 -6.206 -3.250 1.00 0.00 ATOM 758 C ILE 107 15.688 -7.412 -3.569 1.00 0.00 ATOM 759 N VAL 108 16.367 -7.908 -4.604 1.00 0.00 ATOM 760 CA VAL 108 17.149 -7.090 -5.535 1.00 0.00 ATOM 761 CB VAL 108 18.035 -7.961 -6.445 1.00 0.00 ATOM 762 CG1 VAL 108 18.749 -7.099 -7.474 1.00 0.00 ATOM 763 CG2 VAL 108 19.083 -8.695 -5.623 1.00 0.00 ATOM 764 O VAL 108 15.184 -6.925 -6.904 1.00 0.00 ATOM 765 C VAL 108 16.127 -6.317 -6.371 1.00 0.00 ATOM 766 N THR 109 16.312 -5.000 -6.471 1.00 0.00 ATOM 767 CA THR 109 15.313 -4.096 -7.071 1.00 0.00 ATOM 768 CB THR 109 15.807 -2.637 -7.083 1.00 0.00 ATOM 769 CG2 THR 109 14.778 -1.731 -7.741 1.00 0.00 ATOM 770 OG1 THR 109 16.023 -2.192 -5.737 1.00 0.00 ATOM 771 O THR 109 13.833 -4.440 -8.926 1.00 0.00 ATOM 772 C THR 109 14.980 -4.459 -8.525 1.00 0.00 ATOM 773 N GLU 110 15.985 -4.802 -9.312 1.00 0.00 ATOM 774 CA GLU 110 15.778 -5.178 -10.702 1.00 0.00 ATOM 775 CB GLU 110 17.117 -5.469 -11.384 1.00 0.00 ATOM 776 CG GLU 110 17.973 -4.235 -11.622 1.00 0.00 ATOM 777 CD GLU 110 19.339 -4.574 -12.184 1.00 0.00 ATOM 778 OE1 GLU 110 19.644 -5.778 -12.320 1.00 0.00 ATOM 779 OE2 GLU 110 20.105 -3.636 -12.491 1.00 0.00 ATOM 780 O GLU 110 14.044 -6.462 -11.704 1.00 0.00 ATOM 781 C GLU 110 14.916 -6.422 -10.856 1.00 0.00 ATOM 782 N ARG 111 15.131 -7.441 -10.022 1.00 0.00 ATOM 783 CA ARG 111 14.275 -8.642 -10.057 1.00 0.00 ATOM 784 CB ARG 111 14.819 -9.714 -9.110 1.00 0.00 ATOM 785 CG ARG 111 16.213 -10.206 -9.464 1.00 0.00 ATOM 786 CD ARG 111 16.725 -11.201 -8.435 1.00 0.00 ATOM 787 NE ARG 111 15.950 -12.439 -8.441 1.00 0.00 ATOM 788 CZ ARG 111 16.204 -13.477 -9.230 1.00 0.00 ATOM 789 NH1 ARG 111 15.445 -14.563 -9.164 1.00 0.00 ATOM 790 NH2 ARG 111 17.217 -13.427 -10.086 1.00 0.00 ATOM 791 O ARG 111 11.860 -8.744 -10.217 1.00 0.00 ATOM 792 C ARG 111 12.849 -8.289 -9.628 1.00 0.00 ATOM 793 N LYS 112 1.826 -7.839 -14.543 1.00 0.00 ATOM 794 CA LYS 112 0.989 -6.801 -15.151 1.00 0.00 ATOM 795 CB LYS 112 -0.452 -7.294 -15.298 1.00 0.00 ATOM 796 CG LYS 112 -0.619 -8.435 -16.292 1.00 0.00 ATOM 797 CD LYS 112 -2.073 -8.866 -16.399 1.00 0.00 ATOM 798 CE LYS 112 -2.234 -10.028 -17.363 1.00 0.00 ATOM 799 NZ LYS 112 -3.660 -10.430 -17.514 1.00 0.00 ATOM 800 O LYS 112 0.042 -4.693 -14.603 1.00 0.00 ATOM 801 C LYS 112 0.916 -5.507 -14.361 1.00 0.00 ATOM 802 N MET 113 1.826 -5.320 -13.405 1.00 0.00 ATOM 803 CA MET 113 1.980 -4.047 -12.715 1.00 0.00 ATOM 804 CB MET 113 2.477 -4.269 -11.285 1.00 0.00 ATOM 805 CG MET 113 1.515 -5.055 -10.409 1.00 0.00 ATOM 806 SD MET 113 -0.062 -4.213 -10.176 1.00 0.00 ATOM 807 CE MET 113 0.441 -2.829 -9.159 1.00 0.00 ATOM 808 O MET 113 4.154 -3.588 -13.556 1.00 0.00 ATOM 809 C MET 113 2.997 -3.211 -13.491 1.00 0.00 ATOM 810 N LYS 114 2.574 -2.065 -14.023 1.00 0.00 ATOM 811 CA LYS 114 3.414 -1.235 -14.884 1.00 0.00 ATOM 812 CB LYS 114 2.593 -0.661 -16.041 1.00 0.00 ATOM 813 CG LYS 114 3.412 0.125 -17.052 1.00 0.00 ATOM 814 CD LYS 114 2.531 0.693 -18.152 1.00 0.00 ATOM 815 CE LYS 114 3.351 1.472 -19.168 1.00 0.00 ATOM 816 NZ LYS 114 2.500 2.031 -20.257 1.00 0.00 ATOM 817 O LYS 114 3.262 0.744 -13.553 1.00 0.00 ATOM 818 C LYS 114 4.008 -0.078 -14.099 1.00 0.00 ATOM 819 N LEU 115 5.339 -0.019 -14.015 1.00 0.00 ATOM 820 CA LEU 115 5.994 1.034 -13.240 1.00 0.00 ATOM 821 CB LEU 115 7.516 0.874 -13.296 1.00 0.00 ATOM 822 CG LEU 115 8.332 1.848 -12.445 1.00 0.00 ATOM 823 CD1 LEU 115 8.050 1.636 -10.965 1.00 0.00 ATOM 824 CD2 LEU 115 9.821 1.647 -12.678 1.00 0.00 ATOM 825 O LEU 115 5.907 2.668 -14.969 1.00 0.00 ATOM 826 C LEU 115 5.629 2.395 -13.802 1.00 0.00 ATOM 827 N VAL 116 5.039 3.237 -12.960 1.00 0.00 ATOM 828 CA VAL 116 4.695 4.638 -13.286 1.00 0.00 ATOM 829 CB VAL 116 3.403 5.082 -12.576 1.00 0.00 ATOM 830 CG1 VAL 116 3.128 6.555 -12.841 1.00 0.00 ATOM 831 CG2 VAL 116 2.216 4.274 -13.075 1.00 0.00 ATOM 832 O VAL 116 6.197 6.518 -13.610 1.00 0.00 ATOM 833 C VAL 116 5.801 5.600 -12.862 1.00 0.00 ATOM 834 N ASN 117 6.301 5.387 -11.648 1.00 0.00 ATOM 835 CA ASN 117 7.429 6.139 -11.128 1.00 0.00 ATOM 836 CB ASN 117 6.978 7.523 -10.656 1.00 0.00 ATOM 837 CG ASN 117 5.931 7.452 -9.558 1.00 0.00 ATOM 838 ND2 ASN 117 4.755 8.006 -9.827 1.00 0.00 ATOM 839 OD1 ASN 117 6.182 6.903 -8.485 1.00 0.00 ATOM 840 O ASN 117 7.504 4.526 -9.397 1.00 0.00 ATOM 841 C ASN 117 8.080 5.448 -9.958 1.00 0.00 ATOM 842 N TYR 118 9.278 5.903 -9.596 1.00 0.00 ATOM 843 CA TYR 118 10.014 5.350 -8.484 1.00 0.00 ATOM 844 CB TYR 118 11.016 4.302 -8.973 1.00 0.00 ATOM 845 CG TYR 118 11.916 4.788 -10.087 1.00 0.00 ATOM 846 CD1 TYR 118 13.059 5.525 -9.807 1.00 0.00 ATOM 847 CD2 TYR 118 11.619 4.510 -11.415 1.00 0.00 ATOM 848 CE1 TYR 118 13.889 5.974 -10.817 1.00 0.00 ATOM 849 CE2 TYR 118 12.436 4.951 -12.439 1.00 0.00 ATOM 850 CZ TYR 118 13.578 5.687 -12.129 1.00 0.00 ATOM 851 OH TYR 118 14.401 6.133 -13.138 1.00 0.00 ATOM 852 O TYR 118 11.267 7.389 -8.395 1.00 0.00 ATOM 853 C TYR 118 10.772 6.468 -7.770 1.00 0.00 ATOM 854 N GLY 119 22.475 4.061 -7.375 1.00 0.00 ATOM 855 CA GLY 119 22.946 3.906 -5.976 1.00 0.00 ATOM 856 O GLY 119 22.249 4.116 -3.660 1.00 0.00 ATOM 857 C GLY 119 21.923 4.187 -4.853 1.00 0.00 ATOM 858 N ARG 120 19.384 3.577 -2.059 1.00 0.00 ATOM 859 CA ARG 120 19.364 2.487 -1.104 1.00 0.00 ATOM 860 CB ARG 120 20.169 2.853 0.144 1.00 0.00 ATOM 861 CG ARG 120 21.659 3.018 -0.106 1.00 0.00 ATOM 862 CD ARG 120 22.388 3.436 1.161 1.00 0.00 ATOM 863 NE ARG 120 23.817 3.635 0.928 1.00 0.00 ATOM 864 CZ ARG 120 24.676 4.041 1.860 1.00 0.00 ATOM 865 NH1 ARG 120 25.957 4.194 1.558 1.00 0.00 ATOM 866 NH2 ARG 120 24.249 4.292 3.090 1.00 0.00 ATOM 867 O ARG 120 17.846 1.248 0.285 1.00 0.00 ATOM 868 C ARG 120 17.973 2.080 -0.601 1.00 0.00 ATOM 869 N THR 121 16.943 2.627 -1.214 1.00 0.00 ATOM 870 CA THR 121 15.556 2.352 -0.834 1.00 0.00 ATOM 871 CB THR 121 15.098 3.260 0.324 1.00 0.00 ATOM 872 CG2 THR 121 15.092 4.717 -0.113 1.00 0.00 ATOM 873 OG1 THR 121 13.774 2.891 0.728 1.00 0.00 ATOM 874 O THR 121 15.178 3.447 -2.912 1.00 0.00 ATOM 875 C THR 121 14.758 2.629 -2.093 1.00 0.00 ATOM 876 N TYR 122 13.655 1.900 -2.270 1.00 0.00 ATOM 877 CA TYR 122 12.762 2.059 -3.410 1.00 0.00 ATOM 878 CB TYR 122 12.876 0.859 -4.351 1.00 0.00 ATOM 879 CG TYR 122 14.243 0.696 -4.975 1.00 0.00 ATOM 880 CD1 TYR 122 15.215 -0.086 -4.363 1.00 0.00 ATOM 881 CD2 TYR 122 14.558 1.325 -6.173 1.00 0.00 ATOM 882 CE1 TYR 122 16.468 -0.241 -4.924 1.00 0.00 ATOM 883 CE2 TYR 122 15.806 1.182 -6.749 1.00 0.00 ATOM 884 CZ TYR 122 16.763 0.391 -6.114 1.00 0.00 ATOM 885 OH TYR 122 18.010 0.239 -6.675 1.00 0.00 ATOM 886 O TYR 122 10.828 1.318 -2.237 1.00 0.00 ATOM 887 C TYR 122 11.322 2.172 -2.960 1.00 0.00 ATOM 888 N PHE 123 10.651 3.238 -3.405 1.00 0.00 ATOM 889 CA PHE 123 9.228 3.368 -3.332 1.00 0.00 ATOM 890 CB PHE 123 8.845 4.659 -2.603 1.00 0.00 ATOM 891 CG PHE 123 7.367 4.815 -2.388 1.00 0.00 ATOM 892 CD1 PHE 123 6.718 4.099 -1.396 1.00 0.00 ATOM 893 CD2 PHE 123 6.626 5.679 -3.175 1.00 0.00 ATOM 894 CE1 PHE 123 5.358 4.242 -1.197 1.00 0.00 ATOM 895 CE2 PHE 123 5.265 5.822 -2.976 1.00 0.00 ATOM 896 CZ PHE 123 4.632 5.110 -1.992 1.00 0.00 ATOM 897 O PHE 123 9.030 4.365 -5.533 1.00 0.00 ATOM 898 C PHE 123 8.781 3.391 -4.812 1.00 0.00 ATOM 899 N TYR 124 8.103 2.331 -5.222 1.00 0.00 ATOM 900 CA TYR 124 7.722 2.076 -6.612 1.00 0.00 ATOM 901 CB TYR 124 8.142 0.667 -7.033 1.00 0.00 ATOM 902 CG TYR 124 9.641 0.469 -7.100 1.00 0.00 ATOM 903 CD1 TYR 124 10.349 0.006 -5.999 1.00 0.00 ATOM 904 CD2 TYR 124 10.342 0.747 -8.268 1.00 0.00 ATOM 905 CE1 TYR 124 11.718 -0.177 -6.053 1.00 0.00 ATOM 906 CE2 TYR 124 11.710 0.570 -8.339 1.00 0.00 ATOM 907 CZ TYR 124 12.396 0.104 -7.218 1.00 0.00 ATOM 908 OH TYR 124 13.759 -0.077 -7.275 1.00 0.00 ATOM 909 O TYR 124 5.484 1.668 -5.842 1.00 0.00 ATOM 910 C TYR 124 6.222 2.217 -6.695 1.00 0.00 ATOM 911 N GLU 125 5.785 3.001 -7.676 1.00 0.00 ATOM 912 CA GLU 125 4.379 3.223 -7.963 1.00 0.00 ATOM 913 CB GLU 125 4.099 4.718 -8.138 1.00 0.00 ATOM 914 CG GLU 125 2.630 5.055 -8.331 1.00 0.00 ATOM 915 CD GLU 125 2.385 6.548 -8.438 1.00 0.00 ATOM 916 OE1 GLU 125 2.794 7.284 -7.518 1.00 0.00 ATOM 917 OE2 GLU 125 1.781 6.979 -9.445 1.00 0.00 ATOM 918 O GLU 125 4.637 2.671 -10.287 1.00 0.00 ATOM 919 C GLU 125 4.004 2.487 -9.258 1.00 0.00 ATOM 920 N TYR 126 2.933 1.702 -9.187 1.00 0.00 ATOM 921 CA TYR 126 2.488 0.912 -10.315 1.00 0.00 ATOM 922 CB TYR 126 2.606 -0.581 -10.004 1.00 0.00 ATOM 923 CG TYR 126 4.029 -1.053 -9.799 1.00 0.00 ATOM 924 CD1 TYR 126 4.597 -1.068 -8.531 1.00 0.00 ATOM 925 CD2 TYR 126 4.798 -1.481 -10.874 1.00 0.00 ATOM 926 CE1 TYR 126 5.895 -1.497 -8.334 1.00 0.00 ATOM 927 CE2 TYR 126 6.098 -1.914 -10.695 1.00 0.00 ATOM 928 CZ TYR 126 6.644 -1.918 -9.412 1.00 0.00 ATOM 929 OH TYR 126 7.938 -2.346 -9.219 1.00 0.00 ATOM 930 O TYR 126 0.197 1.368 -9.806 1.00 0.00 ATOM 931 C TYR 126 1.054 1.178 -10.681 1.00 0.00 ATOM 932 N ILE 127 0.780 1.161 -11.983 1.00 0.00 ATOM 933 CA ILE 127 -0.586 1.062 -12.469 1.00 0.00 ATOM 934 CB ILE 127 -0.834 2.013 -13.654 1.00 0.00 ATOM 935 CG1 ILE 127 -0.629 3.468 -13.224 1.00 0.00 ATOM 936 CG2 ILE 127 -2.257 1.860 -14.173 1.00 0.00 ATOM 937 CD1 ILE 127 -0.546 4.441 -14.380 1.00 0.00 ATOM 938 O ILE 127 0.010 -1.222 -13.076 1.00 0.00 ATOM 939 C ILE 127 -0.890 -0.368 -12.942 1.00 0.00 TER END