USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 THR OG1 : rot -22:sc= 0.365 USER MOD Set 1.2: A 66 ASN : amide:sc= -0.0394 K(o=0.33,f=-0.6) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 169:sc= -0.772 (180deg=-1.53!) USER MOD Single : A 6 THR OG1 : rot 171:sc= -0.0468 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.066) USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= -1.72! (180deg=-4.24!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 27 SER OG : rot 180:sc= -0.153 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0384) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -5.8! C(o=-7.4!,f=-5.8!) USER MOD Single : A 35 SER OG : rot -35:sc= -1.94 USER MOD Single : A 38 GLN : amide:sc= -5.09! C(o=-5.1!,f=-5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= 1.36 (180deg=-2.61) USER MOD Single : A 44 SER OG : rot 180:sc= -0.108 USER MOD Single : A 49 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.354 (180deg=-1.48!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 35:sc= 0.00252 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -10.538 -1.544 11.071 1.00 0.00 N ATOM 13 CA GLY A 3 -9.636 -2.663 10.861 1.00 0.00 C ATOM 14 C GLY A 3 -8.753 -2.381 9.644 1.00 0.00 C ATOM 15 O GLY A 3 -7.558 -2.706 9.695 1.00 0.00 O ATOM 0 HA2 GLY A 3 -9.018 -2.817 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.205 -3.580 10.707 1.00 0.00 H new ATOM 19 N LYS A 4 -9.348 -1.789 8.593 1.00 0.00 N ATOM 20 CA LYS A 4 -8.621 -1.468 7.377 1.00 0.00 C ATOM 21 C LYS A 4 -8.481 0.052 7.257 1.00 0.00 C ATOM 22 O LYS A 4 -9.311 0.767 7.838 1.00 0.00 O ATOM 23 CB LYS A 4 -9.286 -2.121 6.164 1.00 0.00 C ATOM 24 CG LYS A 4 -8.945 -3.610 6.087 1.00 0.00 C ATOM 25 CD LYS A 4 -10.006 -4.454 6.796 1.00 0.00 C ATOM 26 CE LYS A 4 -9.358 -5.559 7.633 1.00 0.00 C ATOM 27 NZ LYS A 4 -10.389 -6.356 8.320 1.00 0.00 N ATOM 0 H LYS A 4 -10.334 -1.527 8.573 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.613 -1.880 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.367 -1.995 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.958 -1.622 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.870 -3.916 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.971 -3.787 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.614 -3.816 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.676 -4.897 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.758 -6.205 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.681 -5.119 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.933 -7.102 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.944 -5.739 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.018 -6.791 7.615 1.00 0.00 H new ATOM 41 N MET A 5 -7.453 0.506 6.520 1.00 0.00 N ATOM 42 CA MET A 5 -7.210 1.926 6.329 1.00 0.00 C ATOM 43 C MET A 5 -6.771 2.174 4.886 1.00 0.00 C ATOM 44 O MET A 5 -6.121 1.292 4.307 1.00 0.00 O ATOM 45 CB MET A 5 -6.120 2.414 7.285 1.00 0.00 C ATOM 46 CG MET A 5 -4.857 1.560 7.158 1.00 0.00 C ATOM 47 SD MET A 5 -3.498 2.315 8.099 1.00 0.00 S ATOM 48 CE MET A 5 -4.441 3.110 9.432 1.00 0.00 C ATOM 0 H MET A 5 -6.781 -0.101 6.050 1.00 0.00 H new ATOM 0 HA MET A 5 -8.129 2.474 6.536 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.882 3.456 7.070 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.487 2.376 8.311 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.050 0.553 7.528 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.576 1.466 6.109 1.00 0.00 H new ATOM 0 HE1 MET A 5 -3.756 3.454 10.207 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.992 3.961 9.031 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.142 2.393 9.860 1.00 0.00 H new ATOM 58 N THR A 6 -7.129 3.350 4.341 1.00 0.00 N ATOM 59 CA THR A 6 -6.774 3.709 2.977 1.00 0.00 C ATOM 60 C THR A 6 -5.251 3.710 2.837 1.00 0.00 C ATOM 61 O THR A 6 -4.569 4.096 3.798 1.00 0.00 O ATOM 62 CB THR A 6 -7.417 5.056 2.643 1.00 0.00 C ATOM 63 OG1 THR A 6 -6.702 5.991 3.447 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.859 5.158 3.146 1.00 0.00 C ATOM 0 H THR A 6 -7.666 4.063 4.835 1.00 0.00 H new ATOM 0 HA THR A 6 -7.153 2.983 2.258 1.00 0.00 H new ATOM 0 HB THR A 6 -7.397 5.210 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.952 6.903 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.268 6.133 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.461 4.375 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.876 5.038 4.229 1.00 0.00 H new ATOM 72 N GLY A 7 -4.754 3.287 1.659 1.00 0.00 N ATOM 73 CA GLY A 7 -3.326 3.240 1.398 1.00 0.00 C ATOM 74 C GLY A 7 -3.092 2.831 -0.057 1.00 0.00 C ATOM 75 O GLY A 7 -3.566 1.757 -0.453 1.00 0.00 O ATOM 0 H GLY A 7 -5.333 2.975 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.877 4.214 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.845 2.529 2.070 1.00 0.00 H new ATOM 79 N ILE A 8 -2.379 3.685 -0.815 1.00 0.00 N ATOM 80 CA ILE A 8 -2.086 3.414 -2.211 1.00 0.00 C ATOM 81 C ILE A 8 -0.669 2.851 -2.332 1.00 0.00 C ATOM 82 O ILE A 8 0.241 3.401 -1.694 1.00 0.00 O ATOM 83 CB ILE A 8 -2.326 4.664 -3.061 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.008 5.383 -3.363 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.346 5.591 -2.398 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.230 6.552 -4.325 1.00 0.00 C ATOM 0 H ILE A 8 -2.000 4.567 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.764 2.655 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.749 4.352 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.568 5.749 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.297 4.680 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.498 6.471 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.292 5.064 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.976 5.900 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.279 7.046 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.647 6.179 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.923 7.265 -3.878 1.00 0.00 H new ATOM 98 N VAL A 9 -0.511 1.784 -3.136 1.00 0.00 N ATOM 99 CA VAL A 9 0.784 1.156 -3.336 1.00 0.00 C ATOM 100 C VAL A 9 1.639 2.039 -4.248 1.00 0.00 C ATOM 101 O VAL A 9 1.154 2.419 -5.323 1.00 0.00 O ATOM 102 CB VAL A 9 0.600 -0.263 -3.878 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.085 -0.236 -5.320 1.00 0.00 C ATOM 104 CG2 VAL A 9 1.898 -1.063 -3.774 1.00 0.00 C ATOM 0 H VAL A 9 -1.273 1.346 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 9 1.313 1.061 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.149 -0.762 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.037 -1.257 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.875 0.278 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.801 0.290 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.739 -2.067 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.678 -0.567 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.204 -1.126 -2.730 1.00 0.00 H new ATOM 114 N LYS A 10 2.874 2.340 -3.809 1.00 0.00 N ATOM 115 CA LYS A 10 3.784 3.169 -4.579 1.00 0.00 C ATOM 116 C LYS A 10 4.589 2.284 -5.534 1.00 0.00 C ATOM 117 O LYS A 10 4.245 2.235 -6.724 1.00 0.00 O ATOM 118 CB LYS A 10 4.651 4.021 -3.650 1.00 0.00 C ATOM 119 CG LYS A 10 4.330 5.508 -3.808 1.00 0.00 C ATOM 120 CD LYS A 10 4.235 5.894 -5.286 1.00 0.00 C ATOM 121 CE LYS A 10 5.106 7.114 -5.590 1.00 0.00 C ATOM 122 NZ LYS A 10 4.285 8.335 -5.640 1.00 0.00 N ATOM 0 H LYS A 10 3.255 2.014 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 10 3.227 3.877 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.487 3.718 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.704 3.848 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.389 5.736 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.102 6.104 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.549 5.054 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.198 6.110 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.876 7.218 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.618 6.974 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.892 9.153 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.566 8.240 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.816 8.476 -4.723 1.00 0.00 H new ATOM 136 N TRP A 11 5.628 1.616 -5.003 1.00 0.00 N ATOM 137 CA TRP A 11 6.471 0.742 -5.802 1.00 0.00 C ATOM 138 C TRP A 11 6.738 -0.549 -5.028 1.00 0.00 C ATOM 139 O TRP A 11 6.391 -0.607 -3.839 1.00 0.00 O ATOM 140 CB TRP A 11 7.753 1.471 -6.210 1.00 0.00 C ATOM 141 CG TRP A 11 7.851 2.901 -5.678 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.008 3.921 -5.891 1.00 0.00 C ATOM 143 CD2 TRP A 11 8.891 3.434 -4.829 1.00 0.00 C ATOM 144 NE1 TRP A 11 7.426 5.068 -5.244 1.00 0.00 N ATOM 145 CE2 TRP A 11 8.608 4.761 -4.578 1.00 0.00 C ATOM 146 CE3 TRP A 11 10.032 2.815 -4.290 1.00 0.00 C ATOM 147 CZ2 TRP A 11 9.417 5.581 -3.784 1.00 0.00 C ATOM 148 CZ3 TRP A 11 10.831 3.647 -3.498 1.00 0.00 C ATOM 149 CH2 TRP A 11 10.560 4.985 -3.237 1.00 0.00 C ATOM 0 H TRP A 11 5.896 1.672 -4.020 1.00 0.00 H new ATOM 0 HA TRP A 11 5.964 0.469 -6.727 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.612 0.902 -5.853 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.815 1.494 -7.298 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.114 3.855 -6.493 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.955 5.973 -5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.273 1.778 -4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.173 6.617 -3.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 11.720 3.220 -3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.228 5.562 -2.615 1.00 0.00 H new ATOM 160 N PHE A 12 7.339 -1.545 -5.705 1.00 0.00 N ATOM 161 CA PHE A 12 7.649 -2.821 -5.084 1.00 0.00 C ATOM 162 C PHE A 12 8.399 -3.701 -6.086 1.00 0.00 C ATOM 163 O PHE A 12 7.802 -4.075 -7.105 1.00 0.00 O ATOM 164 CB PHE A 12 6.339 -3.498 -4.635 1.00 0.00 C ATOM 165 CG PHE A 12 5.258 -3.562 -5.707 1.00 0.00 C ATOM 166 CD1 PHE A 12 5.228 -4.635 -6.629 1.00 0.00 C ATOM 167 CD2 PHE A 12 4.280 -2.544 -5.790 1.00 0.00 C ATOM 168 CE1 PHE A 12 4.228 -4.689 -7.623 1.00 0.00 C ATOM 169 CE2 PHE A 12 3.281 -2.599 -6.785 1.00 0.00 C ATOM 170 CZ PHE A 12 3.253 -3.671 -7.700 1.00 0.00 C ATOM 0 H PHE A 12 7.615 -1.478 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 12 8.282 -2.671 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 12 6.564 -4.512 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.945 -2.961 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.973 -5.415 -6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.298 -1.722 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.208 -5.509 -8.325 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.537 -1.819 -6.846 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.486 -3.713 -8.459 1.00 0.00 H new ATOM 180 N ASN A 13 9.673 -4.010 -5.781 1.00 0.00 N ATOM 181 CA ASN A 13 10.494 -4.837 -6.647 1.00 0.00 C ATOM 182 C ASN A 13 10.174 -6.311 -6.390 1.00 0.00 C ATOM 183 O ASN A 13 10.388 -6.773 -5.259 1.00 0.00 O ATOM 184 CB ASN A 13 11.981 -4.621 -6.367 1.00 0.00 C ATOM 185 CG ASN A 13 12.604 -3.683 -7.404 1.00 0.00 C ATOM 186 OD1 ASN A 13 12.613 -3.950 -8.593 1.00 0.00 O ATOM 187 ND2 ASN A 13 13.122 -2.573 -6.886 1.00 0.00 N ATOM 0 H ASN A 13 10.146 -3.692 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 13 10.278 -4.562 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.110 -4.202 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.500 -5.579 -6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.561 -1.883 -7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.080 -2.412 -5.880 1.00 0.00 H new ATOM 194 N ALA A 14 9.675 -7.009 -7.426 1.00 0.00 N ATOM 195 CA ALA A 14 9.330 -8.416 -7.313 1.00 0.00 C ATOM 196 C ALA A 14 10.486 -9.265 -7.850 1.00 0.00 C ATOM 197 O ALA A 14 10.274 -10.461 -8.091 1.00 0.00 O ATOM 198 CB ALA A 14 8.122 -8.724 -8.200 1.00 0.00 C ATOM 0 H ALA A 14 9.505 -6.609 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 14 9.120 -8.637 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.866 -9.780 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.274 -8.118 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.364 -8.494 -9.238 1.00 0.00 H new ATOM 204 N ASP A 15 11.662 -8.638 -8.025 1.00 0.00 N ATOM 205 CA ASP A 15 12.836 -9.330 -8.528 1.00 0.00 C ATOM 206 C ASP A 15 13.827 -9.546 -7.383 1.00 0.00 C ATOM 207 O ASP A 15 14.351 -10.663 -7.259 1.00 0.00 O ATOM 208 CB ASP A 15 13.538 -8.509 -9.612 1.00 0.00 C ATOM 209 CG ASP A 15 14.203 -9.331 -10.718 1.00 0.00 C ATOM 210 OD1 ASP A 15 14.317 -10.562 -10.618 1.00 0.00 O ATOM 211 OD2 ASP A 15 14.618 -8.647 -11.730 1.00 0.00 O ATOM 0 H ASP A 15 11.813 -7.650 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 15 12.510 -10.281 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.809 -7.838 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.296 -7.884 -9.139 1.00 0.00 H new ATOM 216 N LYS A 16 14.060 -8.491 -6.582 1.00 0.00 N ATOM 217 CA LYS A 16 14.978 -8.565 -5.459 1.00 0.00 C ATOM 218 C LYS A 16 14.245 -9.134 -4.243 1.00 0.00 C ATOM 219 O LYS A 16 14.865 -9.891 -3.481 1.00 0.00 O ATOM 220 CB LYS A 16 15.626 -7.203 -5.206 1.00 0.00 C ATOM 221 CG LYS A 16 14.666 -6.065 -5.559 1.00 0.00 C ATOM 222 CD LYS A 16 15.320 -4.701 -5.324 1.00 0.00 C ATOM 223 CE LYS A 16 16.192 -4.723 -4.067 1.00 0.00 C ATOM 224 NZ LYS A 16 17.524 -5.271 -4.372 1.00 0.00 N ATOM 0 H LYS A 16 13.618 -7.580 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 16 15.800 -9.246 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.919 -7.125 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.536 -7.113 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.362 -6.151 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.762 -6.147 -4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.927 -4.431 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.550 -3.936 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.290 -3.713 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.713 -5.325 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.663 -6.157 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.597 -5.459 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.254 -4.585 -4.093 1.00 0.00 H new ATOM 238 N GLY A 17 12.963 -8.762 -4.084 1.00 0.00 N ATOM 239 CA GLY A 17 12.156 -9.232 -2.970 1.00 0.00 C ATOM 240 C GLY A 17 11.957 -8.089 -1.972 1.00 0.00 C ATOM 241 O GLY A 17 12.516 -8.167 -0.868 1.00 0.00 O ATOM 0 H GLY A 17 12.472 -8.135 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.191 -9.588 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.645 -10.075 -2.482 1.00 0.00 H new ATOM 245 N PHE A 18 11.181 -7.067 -2.374 1.00 0.00 N ATOM 246 CA PHE A 18 10.914 -5.922 -1.521 1.00 0.00 C ATOM 247 C PHE A 18 9.672 -5.189 -2.033 1.00 0.00 C ATOM 248 O PHE A 18 9.429 -5.216 -3.248 1.00 0.00 O ATOM 249 CB PHE A 18 12.140 -4.989 -1.525 1.00 0.00 C ATOM 250 CG PHE A 18 13.373 -5.559 -0.836 1.00 0.00 C ATOM 251 CD1 PHE A 18 13.572 -5.349 0.547 1.00 0.00 C ATOM 252 CD2 PHE A 18 14.322 -6.305 -1.573 1.00 0.00 C ATOM 253 CE1 PHE A 18 14.712 -5.879 1.190 1.00 0.00 C ATOM 254 CE2 PHE A 18 15.461 -6.835 -0.930 1.00 0.00 C ATOM 255 CZ PHE A 18 15.658 -6.622 0.451 1.00 0.00 C ATOM 0 H PHE A 18 10.732 -7.022 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 18 10.728 -6.250 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.395 -4.750 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.869 -4.052 -1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.850 -4.781 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.175 -6.469 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.860 -5.716 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.183 -7.405 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.531 -7.027 0.942 1.00 0.00 H new ATOM 265 N GLY A 19 8.923 -4.558 -1.111 1.00 0.00 N ATOM 266 CA GLY A 19 7.719 -3.824 -1.467 1.00 0.00 C ATOM 267 C GLY A 19 7.680 -2.507 -0.690 1.00 0.00 C ATOM 268 O GLY A 19 8.302 -2.436 0.380 1.00 0.00 O ATOM 0 H GLY A 19 9.140 -4.548 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.703 -3.627 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.835 -4.420 -1.239 1.00 0.00 H new ATOM 272 N PHE A 20 6.965 -1.508 -1.235 1.00 0.00 N ATOM 273 CA PHE A 20 6.847 -0.209 -0.596 1.00 0.00 C ATOM 274 C PHE A 20 5.434 0.337 -0.814 1.00 0.00 C ATOM 275 O PHE A 20 5.021 0.456 -1.978 1.00 0.00 O ATOM 276 CB PHE A 20 7.901 0.747 -1.193 1.00 0.00 C ATOM 277 CG PHE A 20 9.329 0.484 -0.734 1.00 0.00 C ATOM 278 CD1 PHE A 20 10.126 -0.468 -1.411 1.00 0.00 C ATOM 279 CD2 PHE A 20 9.868 1.192 0.364 1.00 0.00 C ATOM 280 CE1 PHE A 20 11.451 -0.712 -0.991 1.00 0.00 C ATOM 281 CE2 PHE A 20 11.193 0.949 0.783 1.00 0.00 C ATOM 282 CZ PHE A 20 11.985 -0.003 0.107 1.00 0.00 C ATOM 0 H PHE A 20 6.463 -1.587 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 20 7.023 -0.300 0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.864 0.674 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.632 1.771 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.719 -1.010 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.264 1.921 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.056 -1.441 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.602 1.492 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.999 -0.189 0.429 1.00 0.00 H new ATOM 292 N ILE A 21 4.735 0.654 0.289 1.00 0.00 N ATOM 293 CA ILE A 21 3.382 1.182 0.220 1.00 0.00 C ATOM 294 C ILE A 21 3.352 2.579 0.841 1.00 0.00 C ATOM 295 O ILE A 21 4.100 2.815 1.800 1.00 0.00 O ATOM 296 CB ILE A 21 2.393 0.203 0.855 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.385 -1.132 0.109 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.993 0.819 0.942 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.958 -1.657 -0.062 1.00 0.00 C ATOM 0 H ILE A 21 5.095 0.549 1.237 1.00 0.00 H new ATOM 0 HA ILE A 21 3.066 1.289 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 21 2.721 -0.001 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.850 -1.009 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.982 -1.862 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.308 0.103 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.030 1.723 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.643 1.070 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.981 -2.607 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.504 -1.802 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.371 -0.936 -0.631 1.00 0.00 H new ATOM 311 N THR A 22 2.501 3.463 0.291 1.00 0.00 N ATOM 312 CA THR A 22 2.376 4.824 0.789 1.00 0.00 C ATOM 313 C THR A 22 0.988 5.011 1.406 1.00 0.00 C ATOM 314 O THR A 22 0.023 4.453 0.865 1.00 0.00 O ATOM 315 CB THR A 22 2.666 5.792 -0.360 1.00 0.00 C ATOM 316 OG1 THR A 22 2.626 7.078 0.253 1.00 0.00 O ATOM 317 CG2 THR A 22 1.534 5.834 -1.389 1.00 0.00 C ATOM 0 H THR A 22 1.893 3.249 -0.500 1.00 0.00 H new ATOM 0 HA THR A 22 3.098 5.031 1.579 1.00 0.00 H new ATOM 0 HB THR A 22 3.594 5.504 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.805 7.767 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.790 6.536 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.392 4.841 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.613 6.156 -0.903 1.00 0.00 H new ATOM 325 N PRO A 23 0.919 5.779 2.508 1.00 0.00 N ATOM 326 CA PRO A 23 -0.319 6.057 3.215 1.00 0.00 C ATOM 327 C PRO A 23 -1.173 7.069 2.449 1.00 0.00 C ATOM 328 O PRO A 23 -0.951 7.233 1.240 1.00 0.00 O ATOM 329 CB PRO A 23 0.113 6.559 4.583 1.00 0.00 C ATOM 330 CG PRO A 23 1.564 6.985 4.431 1.00 0.00 C ATOM 331 CD PRO A 23 2.080 6.421 3.117 1.00 0.00 C ATOM 0 HA PRO A 23 -0.955 5.177 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.508 7.395 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.012 5.777 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.646 8.072 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.160 6.615 5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.478 7.209 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.886 5.706 3.282 1.00 0.00 H new ATOM 339 N ASP A 24 -2.119 7.716 3.154 1.00 0.00 N ATOM 340 CA ASP A 24 -2.995 8.701 2.543 1.00 0.00 C ATOM 341 C ASP A 24 -2.972 9.984 3.377 1.00 0.00 C ATOM 342 O ASP A 24 -3.014 11.073 2.784 1.00 0.00 O ATOM 343 CB ASP A 24 -4.439 8.197 2.493 1.00 0.00 C ATOM 344 CG ASP A 24 -4.745 7.228 1.349 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.835 6.626 0.761 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.997 7.100 1.063 1.00 0.00 O ATOM 0 H ASP A 24 -2.287 7.566 4.149 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.641 8.885 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.669 7.705 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.105 9.056 2.410 1.00 0.00 H new ATOM 351 N ASP A 25 -2.906 9.834 4.712 1.00 0.00 N ATOM 352 CA ASP A 25 -2.876 10.972 5.613 1.00 0.00 C ATOM 353 C ASP A 25 -1.427 11.272 6.002 1.00 0.00 C ATOM 354 O ASP A 25 -1.120 12.443 6.275 1.00 0.00 O ATOM 355 CB ASP A 25 -3.659 10.678 6.896 1.00 0.00 C ATOM 356 CG ASP A 25 -5.132 10.326 6.688 1.00 0.00 C ATOM 357 OD1 ASP A 25 -5.933 11.336 6.634 1.00 0.00 O ATOM 358 OD2 ASP A 25 -5.497 9.145 6.582 1.00 0.00 O ATOM 0 H ASP A 25 -2.873 8.928 5.180 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.328 11.821 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.174 9.853 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.598 11.549 7.549 1.00 0.00 H new ATOM 363 N GLY A 26 -0.579 10.229 6.020 1.00 0.00 N ATOM 364 CA GLY A 26 0.822 10.381 6.371 1.00 0.00 C ATOM 365 C GLY A 26 1.562 11.062 5.218 1.00 0.00 C ATOM 366 O GLY A 26 1.249 12.224 4.921 1.00 0.00 O ATOM 0 H GLY A 26 -0.852 9.273 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.918 10.974 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.265 9.407 6.577 1.00 0.00 H new ATOM 370 N SER A 27 2.512 10.337 4.600 1.00 0.00 N ATOM 371 CA SER A 27 3.286 10.867 3.492 1.00 0.00 C ATOM 372 C SER A 27 4.350 9.846 3.083 1.00 0.00 C ATOM 373 O SER A 27 4.222 9.264 1.998 1.00 0.00 O ATOM 374 CB SER A 27 3.941 12.202 3.852 1.00 0.00 C ATOM 375 OG SER A 27 4.181 12.317 5.253 1.00 0.00 O ATOM 0 H SER A 27 2.753 9.381 4.860 1.00 0.00 H new ATOM 0 HA SER A 27 2.611 11.050 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.883 12.301 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.300 13.021 3.525 1.00 0.00 H new ATOM 0 HG SER A 27 4.601 13.182 5.443 1.00 0.00 H new ATOM 381 N LYS A 28 5.363 9.655 3.948 1.00 0.00 N ATOM 382 CA LYS A 28 6.438 8.715 3.680 1.00 0.00 C ATOM 383 C LYS A 28 5.839 7.349 3.332 1.00 0.00 C ATOM 384 O LYS A 28 4.658 7.128 3.637 1.00 0.00 O ATOM 385 CB LYS A 28 7.420 8.674 4.852 1.00 0.00 C ATOM 386 CG LYS A 28 7.971 10.069 5.154 1.00 0.00 C ATOM 387 CD LYS A 28 7.392 10.617 6.460 1.00 0.00 C ATOM 388 CE LYS A 28 7.661 9.660 7.623 1.00 0.00 C ATOM 389 NZ LYS A 28 6.396 9.192 8.210 1.00 0.00 N ATOM 0 H LYS A 28 5.449 10.146 4.838 1.00 0.00 H new ATOM 0 HA LYS A 28 7.021 9.039 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.921 8.277 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.242 7.997 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.058 10.027 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.730 10.745 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.831 11.591 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.318 10.769 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.243 8.808 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.258 10.162 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.587 8.409 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.942 9.973 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.763 8.862 7.453 1.00 0.00 H new ATOM 403 N ASP A 29 6.652 6.477 2.710 1.00 0.00 N ATOM 404 CA ASP A 29 6.206 5.149 2.326 1.00 0.00 C ATOM 405 C ASP A 29 6.774 4.122 3.307 1.00 0.00 C ATOM 406 O ASP A 29 7.956 4.239 3.667 1.00 0.00 O ATOM 407 CB ASP A 29 6.700 4.786 0.924 1.00 0.00 C ATOM 408 CG ASP A 29 8.183 5.058 0.669 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.997 4.325 1.352 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.544 5.926 -0.138 1.00 0.00 O ATOM 0 H ASP A 29 7.622 6.680 2.467 1.00 0.00 H new ATOM 0 HA ASP A 29 5.116 5.143 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.505 3.728 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.113 5.343 0.193 1.00 0.00 H new ATOM 415 N VAL A 30 5.938 3.150 3.714 1.00 0.00 N ATOM 416 CA VAL A 30 6.354 2.113 4.644 1.00 0.00 C ATOM 417 C VAL A 30 6.902 0.921 3.858 1.00 0.00 C ATOM 418 O VAL A 30 6.509 0.749 2.694 1.00 0.00 O ATOM 419 CB VAL A 30 5.191 1.739 5.565 1.00 0.00 C ATOM 420 CG1 VAL A 30 4.808 2.914 6.469 1.00 0.00 C ATOM 421 CG2 VAL A 30 3.986 1.254 4.758 1.00 0.00 C ATOM 0 H VAL A 30 4.969 3.071 3.406 1.00 0.00 H new ATOM 0 HA VAL A 30 7.156 2.475 5.287 1.00 0.00 H new ATOM 0 HB VAL A 30 5.519 0.918 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.979 2.622 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.664 3.195 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.508 3.763 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.174 0.995 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.657 2.045 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.267 0.376 4.177 1.00 0.00 H new ATOM 431 N PHE A 31 7.785 0.133 4.499 1.00 0.00 N ATOM 432 CA PHE A 31 8.379 -1.031 3.865 1.00 0.00 C ATOM 433 C PHE A 31 7.491 -2.251 4.115 1.00 0.00 C ATOM 434 O PHE A 31 6.961 -2.378 5.229 1.00 0.00 O ATOM 435 CB PHE A 31 9.791 -1.256 4.439 1.00 0.00 C ATOM 436 CG PHE A 31 9.836 -1.494 5.942 1.00 0.00 C ATOM 437 CD1 PHE A 31 9.426 -2.737 6.476 1.00 0.00 C ATOM 438 CD2 PHE A 31 10.292 -0.477 6.814 1.00 0.00 C ATOM 439 CE1 PHE A 31 9.470 -2.961 7.868 1.00 0.00 C ATOM 440 CE2 PHE A 31 10.335 -0.703 8.206 1.00 0.00 C ATOM 441 CZ PHE A 31 9.924 -1.944 8.734 1.00 0.00 C ATOM 0 H PHE A 31 8.096 0.292 5.457 1.00 0.00 H new ATOM 0 HA PHE A 31 8.460 -0.874 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.241 -2.112 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.407 -0.388 4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.078 -3.518 5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.608 0.475 6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.156 -3.912 8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.683 0.076 8.868 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.957 -2.116 9.800 1.00 0.00 H new ATOM 451 N VAL A 32 7.349 -3.113 3.092 1.00 0.00 N ATOM 452 CA VAL A 32 6.532 -4.311 3.200 1.00 0.00 C ATOM 453 C VAL A 32 6.940 -5.301 2.107 1.00 0.00 C ATOM 454 O VAL A 32 7.657 -4.895 1.181 1.00 0.00 O ATOM 455 CB VAL A 32 5.049 -3.939 3.148 1.00 0.00 C ATOM 456 CG1 VAL A 32 4.843 -2.610 2.419 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.228 -5.054 2.499 1.00 0.00 C ATOM 0 H VAL A 32 7.795 -2.992 2.183 1.00 0.00 H new ATOM 0 HA VAL A 32 6.696 -4.801 4.160 1.00 0.00 H new ATOM 0 HB VAL A 32 4.697 -3.817 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.780 -2.369 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.383 -1.821 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.219 -2.692 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.177 -4.765 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.582 -5.222 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.338 -5.971 3.078 1.00 0.00 H new ATOM 467 N HIS A 33 6.482 -6.559 2.234 1.00 0.00 N ATOM 468 CA HIS A 33 6.797 -7.594 1.266 1.00 0.00 C ATOM 469 C HIS A 33 5.526 -7.980 0.507 1.00 0.00 C ATOM 470 O HIS A 33 4.903 -8.987 0.873 1.00 0.00 O ATOM 471 CB HIS A 33 7.470 -8.792 1.942 1.00 0.00 C ATOM 472 CG HIS A 33 8.559 -9.432 1.115 1.00 0.00 C ATOM 473 ND1 HIS A 33 9.489 -10.374 1.442 1.00 0.00 N flip ATOM 474 CD2 HIS A 33 8.776 -9.115 -0.215 1.00 0.00 C flip ATOM 475 CE1 HIS A 33 10.233 -10.619 0.371 1.00 0.00 C flip ATOM 476 NE2 HIS A 33 9.793 -9.839 -0.658 1.00 0.00 N flip ATOM 0 H HIS A 33 5.891 -6.872 3.004 1.00 0.00 H new ATOM 0 HA HIS A 33 7.517 -7.213 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.893 -8.469 2.893 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.712 -9.542 2.168 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.595 -10.816 2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.212 -8.399 -0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.052 -11.321 0.322 1.00 0.00 H new ATOM 484 N PHE A 34 5.174 -7.185 -0.521 1.00 0.00 N ATOM 485 CA PHE A 34 3.989 -7.443 -1.321 1.00 0.00 C ATOM 486 C PHE A 34 2.749 -6.983 -0.551 1.00 0.00 C ATOM 487 O PHE A 34 1.739 -6.664 -1.195 1.00 0.00 O ATOM 488 CB PHE A 34 3.909 -8.947 -1.640 1.00 0.00 C ATOM 489 CG PHE A 34 5.253 -9.614 -1.901 1.00 0.00 C ATOM 490 CD1 PHE A 34 6.176 -9.019 -2.792 1.00 0.00 C ATOM 491 CD2 PHE A 34 5.589 -10.826 -1.254 1.00 0.00 C ATOM 492 CE1 PHE A 34 7.425 -9.632 -3.034 1.00 0.00 C ATOM 493 CE2 PHE A 34 6.837 -11.438 -1.495 1.00 0.00 C ATOM 494 CZ PHE A 34 7.755 -10.841 -2.385 1.00 0.00 C ATOM 0 H PHE A 34 5.702 -6.361 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 34 4.041 -6.890 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.422 -9.456 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.274 -9.086 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.925 -8.093 -3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.887 -11.285 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.128 -9.176 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.090 -12.363 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.710 -11.309 -2.570 1.00 0.00 H new ATOM 504 N SER A 35 2.847 -6.960 0.791 1.00 0.00 N ATOM 505 CA SER A 35 1.742 -6.544 1.637 1.00 0.00 C ATOM 506 C SER A 35 0.709 -7.669 1.708 1.00 0.00 C ATOM 507 O SER A 35 -0.446 -7.388 2.062 1.00 0.00 O ATOM 508 CB SER A 35 1.092 -5.260 1.118 1.00 0.00 C ATOM 509 OG SER A 35 0.105 -4.760 2.016 1.00 0.00 O ATOM 0 H SER A 35 3.688 -7.228 1.302 1.00 0.00 H new ATOM 0 HA SER A 35 2.129 -6.336 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.860 -4.502 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.635 -5.452 0.147 1.00 0.00 H new ATOM 0 HG SER A 35 -0.355 -5.510 2.447 1.00 0.00 H new ATOM 515 N ALA A 36 1.136 -8.901 1.375 1.00 0.00 N ATOM 516 CA ALA A 36 0.253 -10.055 1.403 1.00 0.00 C ATOM 517 C ALA A 36 -1.030 -9.729 0.634 1.00 0.00 C ATOM 518 O ALA A 36 -2.115 -9.844 1.223 1.00 0.00 O ATOM 519 CB ALA A 36 -0.173 -10.345 2.843 1.00 0.00 C ATOM 0 H ALA A 36 2.091 -9.111 1.085 1.00 0.00 H new ATOM 0 HA ALA A 36 0.781 -10.903 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.835 -11.211 2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.709 -10.551 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.697 -9.480 3.249 1.00 0.00 H new ATOM 525 N ILE A 37 -0.883 -9.335 -0.643 1.00 0.00 N ATOM 526 CA ILE A 37 -2.021 -8.996 -1.481 1.00 0.00 C ATOM 527 C ILE A 37 -3.030 -10.147 -1.452 1.00 0.00 C ATOM 528 O ILE A 37 -2.765 -11.146 -0.768 1.00 0.00 O ATOM 529 CB ILE A 37 -1.558 -8.620 -2.890 1.00 0.00 C ATOM 530 CG1 ILE A 37 -0.801 -9.777 -3.545 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.730 -7.333 -2.869 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.711 -9.566 -3.451 1.00 0.00 C ATOM 0 H ILE A 37 0.020 -9.247 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.530 -8.114 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.441 -8.426 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.072 -10.715 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.095 -9.863 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.413 -7.088 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.334 -6.518 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.148 -7.475 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.225 -10.403 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.981 -8.640 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.005 -9.505 -2.403 1.00 0.00 H new ATOM 544 N GLN A 38 -4.147 -9.987 -2.184 1.00 0.00 N ATOM 545 CA GLN A 38 -5.183 -11.004 -2.242 1.00 0.00 C ATOM 546 C GLN A 38 -5.312 -11.512 -3.679 1.00 0.00 C ATOM 547 O GLN A 38 -6.395 -11.359 -4.263 1.00 0.00 O ATOM 548 CB GLN A 38 -6.521 -10.474 -1.724 1.00 0.00 C ATOM 549 CG GLN A 38 -6.603 -10.584 -0.200 1.00 0.00 C ATOM 550 CD GLN A 38 -5.229 -10.365 0.439 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.605 -11.275 0.959 1.00 0.00 O ATOM 552 NE2 GLN A 38 -4.796 -9.108 0.373 1.00 0.00 N ATOM 0 H GLN A 38 -4.345 -9.156 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.898 -11.831 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.644 -9.433 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.338 -11.035 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.309 -9.847 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.985 -11.566 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.369 -8.394 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.891 -8.859 0.772 1.00 0.00 H new ATOM 561 N ASN A 39 -4.225 -12.098 -4.211 1.00 0.00 N ATOM 562 CA ASN A 39 -4.218 -12.623 -5.567 1.00 0.00 C ATOM 563 C ASN A 39 -3.711 -14.066 -5.547 1.00 0.00 C ATOM 564 O ASN A 39 -3.054 -14.449 -4.568 1.00 0.00 O ATOM 565 CB ASN A 39 -3.290 -11.808 -6.468 1.00 0.00 C ATOM 566 CG ASN A 39 -3.891 -11.641 -7.866 1.00 0.00 C ATOM 567 OD1 ASN A 39 -3.579 -12.368 -8.794 1.00 0.00 O ATOM 568 ND2 ASN A 39 -4.765 -10.644 -7.962 1.00 0.00 N ATOM 0 H ASN A 39 -3.343 -12.215 -3.712 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.235 -12.569 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.115 -10.828 -6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.322 -12.303 -6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.220 -10.449 -8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.980 -10.074 -7.144 1.00 0.00 H new ATOM 575 N ASP A 40 -4.021 -14.828 -6.613 1.00 0.00 N ATOM 576 CA ASP A 40 -3.599 -16.214 -6.718 1.00 0.00 C ATOM 577 C ASP A 40 -2.707 -16.380 -7.950 1.00 0.00 C ATOM 578 O ASP A 40 -1.659 -17.033 -7.836 1.00 0.00 O ATOM 579 CB ASP A 40 -4.803 -17.145 -6.875 1.00 0.00 C ATOM 580 CG ASP A 40 -5.983 -16.552 -7.648 1.00 0.00 C ATOM 581 OD1 ASP A 40 -5.809 -15.969 -8.730 1.00 0.00 O ATOM 582 OD2 ASP A 40 -7.134 -16.708 -7.091 1.00 0.00 O ATOM 0 H ASP A 40 -4.564 -14.494 -7.409 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.060 -16.473 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.477 -18.054 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.148 -17.438 -5.884 1.00 0.00 H new ATOM 587 N GLY A 41 -3.134 -15.797 -9.084 1.00 0.00 N ATOM 588 CA GLY A 41 -2.379 -15.880 -10.323 1.00 0.00 C ATOM 589 C GLY A 41 -1.110 -15.035 -10.200 1.00 0.00 C ATOM 590 O GLY A 41 -0.477 -15.074 -9.133 1.00 0.00 O ATOM 0 H GLY A 41 -4.001 -15.265 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.120 -16.917 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.986 -15.526 -11.156 1.00 0.00 H new ATOM 594 N TYR A 42 -0.768 -14.301 -11.274 1.00 0.00 N ATOM 595 CA TYR A 42 0.430 -13.481 -11.222 1.00 0.00 C ATOM 596 C TYR A 42 0.338 -12.526 -10.030 1.00 0.00 C ATOM 597 O TYR A 42 -0.616 -11.735 -9.990 1.00 0.00 O ATOM 598 CB TYR A 42 0.611 -12.724 -12.550 1.00 0.00 C ATOM 599 CG TYR A 42 1.440 -13.465 -13.591 1.00 0.00 C ATOM 600 CD1 TYR A 42 2.621 -14.143 -13.215 1.00 0.00 C ATOM 601 CD2 TYR A 42 1.032 -13.470 -14.945 1.00 0.00 C ATOM 602 CE1 TYR A 42 3.387 -14.826 -14.184 1.00 0.00 C ATOM 603 CE2 TYR A 42 1.798 -14.152 -15.914 1.00 0.00 C ATOM 604 CZ TYR A 42 2.976 -14.831 -15.534 1.00 0.00 C ATOM 605 OH TYR A 42 3.715 -15.491 -16.475 1.00 0.00 O ATOM 0 H TYR A 42 -1.288 -14.265 -12.151 1.00 0.00 H new ATOM 0 HA TYR A 42 1.308 -14.112 -11.085 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.372 -12.513 -12.970 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.083 -11.763 -12.345 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.939 -14.139 -12.183 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.132 -12.950 -15.238 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.288 -15.345 -13.892 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.483 -14.155 -16.947 1.00 0.00 H new ATOM 0 HH TYR A 42 3.289 -15.394 -17.352 1.00 0.00 H new ATOM 615 N LYS A 43 1.301 -12.620 -9.096 1.00 0.00 N ATOM 616 CA LYS A 43 1.316 -11.773 -7.916 1.00 0.00 C ATOM 617 C LYS A 43 1.542 -10.320 -8.337 1.00 0.00 C ATOM 618 O LYS A 43 0.999 -9.916 -9.376 1.00 0.00 O ATOM 619 CB LYS A 43 2.339 -12.285 -6.901 1.00 0.00 C ATOM 620 CG LYS A 43 1.734 -12.351 -5.496 1.00 0.00 C ATOM 621 CD LYS A 43 1.264 -13.769 -5.167 1.00 0.00 C ATOM 622 CE LYS A 43 -0.018 -14.112 -5.927 1.00 0.00 C ATOM 623 NZ LYS A 43 -0.652 -15.311 -5.357 1.00 0.00 N ATOM 0 H LYS A 43 2.077 -13.280 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 43 0.352 -11.811 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.687 -13.275 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.210 -11.630 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.474 -12.030 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.894 -11.660 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.046 -14.484 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.090 -13.859 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.710 -13.271 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.210 -14.280 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.869 -15.984 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.004 -15.756 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.532 -15.041 -4.872 1.00 0.00 H new ATOM 637 N SER A 44 2.326 -9.577 -7.536 1.00 0.00 N ATOM 638 CA SER A 44 2.619 -8.183 -7.826 1.00 0.00 C ATOM 639 C SER A 44 1.317 -7.381 -7.826 1.00 0.00 C ATOM 640 O SER A 44 0.244 -8.000 -7.885 1.00 0.00 O ATOM 641 CB SER A 44 3.337 -8.028 -9.168 1.00 0.00 C ATOM 642 OG SER A 44 4.697 -7.636 -9.003 1.00 0.00 O ATOM 0 H SER A 44 2.763 -9.929 -6.684 1.00 0.00 H new ATOM 0 HA SER A 44 3.286 -7.803 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.295 -8.971 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.817 -7.286 -9.774 1.00 0.00 H new ATOM 0 HG SER A 44 5.121 -7.549 -9.882 1.00 0.00 H new ATOM 648 N LEU A 45 1.433 -6.043 -7.760 1.00 0.00 N ATOM 649 CA LEU A 45 0.273 -5.168 -7.753 1.00 0.00 C ATOM 650 C LEU A 45 0.138 -4.495 -9.120 1.00 0.00 C ATOM 651 O LEU A 45 0.364 -5.170 -10.136 1.00 0.00 O ATOM 652 CB LEU A 45 0.352 -4.181 -6.586 1.00 0.00 C ATOM 653 CG LEU A 45 -0.983 -3.642 -6.072 1.00 0.00 C ATOM 654 CD1 LEU A 45 -2.139 -4.554 -6.484 1.00 0.00 C ATOM 655 CD2 LEU A 45 -0.940 -3.420 -4.558 1.00 0.00 C ATOM 0 H LEU A 45 2.327 -5.554 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.637 -5.745 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.867 -4.668 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.969 -3.336 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.159 -2.671 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.076 -4.147 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.184 -4.616 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.982 -5.550 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.902 -3.036 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.729 -4.365 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.158 -2.700 -4.318 1.00 0.00 H new ATOM 667 N ASP A 46 -0.221 -3.199 -9.120 1.00 0.00 N ATOM 668 CA ASP A 46 -0.384 -2.444 -10.351 1.00 0.00 C ATOM 669 C ASP A 46 0.488 -1.187 -10.293 1.00 0.00 C ATOM 670 O ASP A 46 0.172 -0.218 -10.998 1.00 0.00 O ATOM 671 CB ASP A 46 -1.836 -2.003 -10.540 1.00 0.00 C ATOM 672 CG ASP A 46 -2.270 -1.810 -11.995 1.00 0.00 C ATOM 673 OD1 ASP A 46 -2.362 -2.895 -12.685 1.00 0.00 O ATOM 674 OD2 ASP A 46 -2.505 -0.679 -12.445 1.00 0.00 O ATOM 0 H ASP A 46 -0.402 -2.661 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.092 -3.087 -11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.488 -2.744 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.988 -1.066 -10.004 1.00 0.00 H new ATOM 679 N GLU A 47 1.548 -1.228 -9.466 1.00 0.00 N ATOM 680 CA GLU A 47 2.454 -0.101 -9.320 1.00 0.00 C ATOM 681 C GLU A 47 1.654 1.202 -9.378 1.00 0.00 C ATOM 682 O GLU A 47 1.569 1.794 -10.464 1.00 0.00 O ATOM 683 CB GLU A 47 3.551 -0.118 -10.387 1.00 0.00 C ATOM 684 CG GLU A 47 4.164 1.271 -10.565 1.00 0.00 C ATOM 685 CD GLU A 47 5.670 1.178 -10.818 1.00 0.00 C ATOM 686 OE1 GLU A 47 6.367 0.416 -10.131 1.00 0.00 O ATOM 687 OE2 GLU A 47 6.112 1.931 -11.767 1.00 0.00 O ATOM 0 H GLU A 47 1.789 -2.036 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 47 2.951 -0.176 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.328 -0.829 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.136 -0.460 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.682 1.781 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.978 1.871 -9.675 1.00 0.00 H new ATOM 694 N GLY A 48 1.091 1.615 -8.229 1.00 0.00 N ATOM 695 CA GLY A 48 0.306 2.834 -8.150 1.00 0.00 C ATOM 696 C GLY A 48 -1.182 2.484 -8.211 1.00 0.00 C ATOM 697 O GLY A 48 -1.731 2.431 -9.319 1.00 0.00 O ATOM 0 H GLY A 48 1.172 1.112 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.529 3.364 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.568 3.502 -8.970 1.00 0.00 H new ATOM 701 N GLN A 49 -1.794 2.254 -7.035 1.00 0.00 N ATOM 702 CA GLN A 49 -3.204 1.911 -6.955 1.00 0.00 C ATOM 703 C GLN A 49 -3.710 2.182 -5.536 1.00 0.00 C ATOM 704 O GLN A 49 -2.934 1.998 -4.588 1.00 0.00 O ATOM 705 CB GLN A 49 -3.453 0.458 -7.358 1.00 0.00 C ATOM 706 CG GLN A 49 -4.873 0.021 -6.991 1.00 0.00 C ATOM 707 CD GLN A 49 -5.324 -1.160 -7.852 1.00 0.00 C ATOM 708 OE1 GLN A 49 -4.728 -1.487 -8.865 1.00 0.00 O ATOM 709 NE2 GLN A 49 -6.408 -1.780 -7.395 1.00 0.00 N ATOM 0 H GLN A 49 -1.323 2.303 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.756 2.534 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.300 0.343 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.730 -0.189 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.911 -0.257 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.560 0.856 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.859 -1.455 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.788 -2.581 -7.900 1.00 0.00 H new ATOM 718 N LYS A 50 -4.982 2.605 -5.421 1.00 0.00 N ATOM 719 CA LYS A 50 -5.582 2.897 -4.131 1.00 0.00 C ATOM 720 C LYS A 50 -6.223 1.625 -3.572 1.00 0.00 C ATOM 721 O LYS A 50 -7.057 1.030 -4.271 1.00 0.00 O ATOM 722 CB LYS A 50 -6.553 4.076 -4.246 1.00 0.00 C ATOM 723 CG LYS A 50 -6.717 4.784 -2.899 1.00 0.00 C ATOM 724 CD LYS A 50 -6.250 6.238 -2.984 1.00 0.00 C ATOM 725 CE LYS A 50 -7.432 7.181 -3.213 1.00 0.00 C ATOM 726 NZ LYS A 50 -7.100 8.543 -2.767 1.00 0.00 N ATOM 0 H LYS A 50 -5.606 2.749 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.819 3.210 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.186 4.783 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.523 3.721 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.762 4.751 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.144 4.258 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.734 6.512 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.531 6.346 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.696 7.193 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.305 6.817 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.914 9.170 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.871 8.530 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.280 8.894 -3.303 1.00 0.00 H new ATOM 740 N VAL A 51 -5.829 1.241 -2.346 1.00 0.00 N ATOM 741 CA VAL A 51 -6.361 0.052 -1.702 1.00 0.00 C ATOM 742 C VAL A 51 -6.350 0.249 -0.185 1.00 0.00 C ATOM 743 O VAL A 51 -5.810 1.266 0.273 1.00 0.00 O ATOM 744 CB VAL A 51 -5.576 -1.181 -2.150 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.012 -0.991 -3.561 1.00 0.00 C ATOM 746 CG2 VAL A 51 -4.461 -1.513 -1.155 1.00 0.00 C ATOM 0 H VAL A 51 -5.141 1.746 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.396 -0.112 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.265 -2.025 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.458 -1.883 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.831 -0.826 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.345 -0.129 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.918 -2.394 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.775 -0.669 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.895 -1.712 -0.175 1.00 0.00 H new ATOM 756 N SER A 52 -6.937 -0.710 0.551 1.00 0.00 N ATOM 757 CA SER A 52 -6.994 -0.642 2.002 1.00 0.00 C ATOM 758 C SER A 52 -5.883 -1.511 2.592 1.00 0.00 C ATOM 759 O SER A 52 -6.010 -2.744 2.545 1.00 0.00 O ATOM 760 CB SER A 52 -8.357 -1.092 2.530 1.00 0.00 C ATOM 761 OG SER A 52 -9.123 0.001 3.029 1.00 0.00 O ATOM 0 H SER A 52 -7.377 -1.540 0.153 1.00 0.00 H new ATOM 0 HA SER A 52 -6.851 0.395 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.910 -1.588 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.214 -1.827 3.323 1.00 0.00 H new ATOM 0 HG SER A 52 -9.987 -0.327 3.355 1.00 0.00 H new ATOM 767 N PHE A 53 -4.833 -0.864 3.129 1.00 0.00 N ATOM 768 CA PHE A 53 -3.713 -1.574 3.722 1.00 0.00 C ATOM 769 C PHE A 53 -3.863 -1.573 5.245 1.00 0.00 C ATOM 770 O PHE A 53 -4.614 -0.734 5.763 1.00 0.00 O ATOM 771 CB PHE A 53 -2.398 -0.887 3.303 1.00 0.00 C ATOM 772 CG PHE A 53 -1.992 0.296 4.172 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.902 1.352 4.409 1.00 0.00 C ATOM 774 CD2 PHE A 53 -0.700 0.346 4.744 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.522 2.450 5.212 1.00 0.00 C ATOM 776 CE2 PHE A 53 -0.321 1.442 5.547 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.232 2.495 5.780 1.00 0.00 C ATOM 0 H PHE A 53 -4.748 0.152 3.159 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.695 -2.607 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.597 -1.626 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.494 -0.547 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.890 1.319 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.001 -0.458 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.219 3.255 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.666 1.476 5.984 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.941 3.335 6.393 1.00 0.00 H new ATOM 787 N THR A 54 -3.159 -2.500 5.920 1.00 0.00 N ATOM 788 CA THR A 54 -3.214 -2.604 7.368 1.00 0.00 C ATOM 789 C THR A 54 -1.791 -2.633 7.928 1.00 0.00 C ATOM 790 O THR A 54 -1.159 -3.698 7.882 1.00 0.00 O ATOM 791 CB THR A 54 -4.037 -3.841 7.737 1.00 0.00 C ATOM 792 OG1 THR A 54 -3.089 -4.905 7.727 1.00 0.00 O ATOM 793 CG2 THR A 54 -5.038 -4.226 6.646 1.00 0.00 C ATOM 0 H THR A 54 -2.548 -3.184 5.474 1.00 0.00 H new ATOM 0 HA THR A 54 -3.707 -1.740 7.814 1.00 0.00 H new ATOM 0 HB THR A 54 -4.569 -3.656 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.320 -4.653 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.595 -5.109 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.730 -3.401 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.503 -4.443 5.721 1.00 0.00 H new ATOM 801 N ILE A 55 -1.321 -1.480 8.438 1.00 0.00 N ATOM 802 CA ILE A 55 0.015 -1.374 9.000 1.00 0.00 C ATOM 803 C ILE A 55 0.303 -2.612 9.853 1.00 0.00 C ATOM 804 O ILE A 55 -0.657 -3.252 10.307 1.00 0.00 O ATOM 805 CB ILE A 55 0.174 -0.054 9.757 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.566 1.079 8.806 1.00 0.00 C ATOM 807 CG2 ILE A 55 1.165 -0.201 10.913 1.00 0.00 C ATOM 808 CD1 ILE A 55 0.258 2.444 9.422 1.00 0.00 C ATOM 0 H ILE A 55 -1.857 -0.613 8.467 1.00 0.00 H new ATOM 0 HA ILE A 55 0.763 -1.351 8.207 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.790 0.209 10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.629 1.012 8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.027 0.971 7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.260 0.751 11.434 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.805 -0.960 11.607 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.138 -0.499 10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.546 3.231 8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.809 2.517 9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.817 2.559 10.351 1.00 0.00 H new ATOM 820 N GLU A 56 1.598 -2.916 10.053 1.00 0.00 N ATOM 821 CA GLU A 56 2.005 -4.065 10.843 1.00 0.00 C ATOM 822 C GLU A 56 3.087 -3.637 11.837 1.00 0.00 C ATOM 823 O GLU A 56 4.077 -3.027 11.406 1.00 0.00 O ATOM 824 CB GLU A 56 2.497 -5.212 9.958 1.00 0.00 C ATOM 825 CG GLU A 56 1.322 -6.013 9.395 1.00 0.00 C ATOM 826 CD GLU A 56 0.455 -6.578 10.521 1.00 0.00 C ATOM 827 OE1 GLU A 56 1.101 -6.951 11.573 1.00 0.00 O ATOM 828 OE2 GLU A 56 -0.776 -6.652 10.380 1.00 0.00 O ATOM 0 H GLU A 56 2.373 -2.373 9.672 1.00 0.00 H new ATOM 0 HA GLU A 56 1.139 -4.437 11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.095 -4.813 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.146 -5.870 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.717 -5.375 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.696 -6.828 8.775 1.00 0.00 H new ATOM 835 N SER A 57 2.882 -3.957 13.127 1.00 0.00 N ATOM 836 CA SER A 57 3.832 -3.608 14.169 1.00 0.00 C ATOM 837 C SER A 57 4.292 -4.881 14.883 1.00 0.00 C ATOM 838 O SER A 57 3.459 -5.519 15.543 1.00 0.00 O ATOM 839 CB SER A 57 3.226 -2.626 15.173 1.00 0.00 C ATOM 840 OG SER A 57 4.148 -2.279 16.203 1.00 0.00 O ATOM 0 H SER A 57 2.060 -4.459 13.462 1.00 0.00 H new ATOM 0 HA SER A 57 4.688 -3.117 13.706 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.909 -1.723 14.651 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.334 -3.067 15.618 1.00 0.00 H new ATOM 0 HG SER A 57 3.724 -1.649 16.823 1.00 0.00 H new ATOM 846 N GLY A 58 5.585 -5.219 14.737 1.00 0.00 N ATOM 847 CA GLY A 58 6.146 -6.405 15.362 1.00 0.00 C ATOM 848 C GLY A 58 7.484 -6.741 14.701 1.00 0.00 C ATOM 849 O GLY A 58 8.428 -7.092 15.424 1.00 0.00 O ATOM 0 H GLY A 58 6.254 -4.679 14.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.287 -6.235 16.429 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.457 -7.244 15.261 1.00 0.00 H new ATOM 853 N ALA A 59 7.538 -6.629 13.362 1.00 0.00 N ATOM 854 CA ALA A 59 8.749 -6.920 12.613 1.00 0.00 C ATOM 855 C ALA A 59 9.933 -6.209 13.272 1.00 0.00 C ATOM 856 O ALA A 59 10.744 -6.889 13.918 1.00 0.00 O ATOM 857 CB ALA A 59 8.633 -6.341 11.202 1.00 0.00 C ATOM 0 H ALA A 59 6.749 -6.337 12.785 1.00 0.00 H new ATOM 0 HA ALA A 59 8.889 -8.001 12.589 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.542 -6.561 10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.778 -6.788 10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.496 -5.261 11.262 1.00 0.00 H new ATOM 863 N LYS A 60 10.009 -4.878 13.099 1.00 0.00 N ATOM 864 CA LYS A 60 11.083 -4.086 13.672 1.00 0.00 C ATOM 865 C LYS A 60 10.782 -2.600 13.465 1.00 0.00 C ATOM 866 O LYS A 60 11.028 -1.814 14.392 1.00 0.00 O ATOM 867 CB LYS A 60 12.434 -4.525 13.104 1.00 0.00 C ATOM 868 CG LYS A 60 13.497 -3.448 13.325 1.00 0.00 C ATOM 869 CD LYS A 60 13.739 -2.644 12.045 1.00 0.00 C ATOM 870 CE LYS A 60 15.051 -3.059 11.376 1.00 0.00 C ATOM 871 NZ LYS A 60 15.242 -4.515 11.476 1.00 0.00 N ATOM 0 H LYS A 60 9.331 -4.337 12.563 1.00 0.00 H new ATOM 0 HA LYS A 60 11.146 -4.252 14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.748 -5.454 13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.335 -4.730 12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.180 -2.778 14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.429 -3.913 13.648 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.910 -2.796 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.767 -1.580 12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.043 -2.758 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.887 -2.543 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.885 -4.833 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.652 -4.749 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.324 -4.993 11.373 1.00 0.00 H new ATOM 885 N GLY A 61 10.267 -2.250 12.273 1.00 0.00 N ATOM 886 CA GLY A 61 9.937 -0.871 11.951 1.00 0.00 C ATOM 887 C GLY A 61 8.519 -0.811 11.380 1.00 0.00 C ATOM 888 O GLY A 61 7.813 -1.828 11.446 1.00 0.00 O ATOM 0 H GLY A 61 10.074 -2.913 11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.009 -0.250 12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.650 -0.474 11.228 1.00 0.00 H new ATOM 892 N PRO A 62 8.137 0.360 10.839 1.00 0.00 N ATOM 893 CA PRO A 62 6.826 0.583 10.255 1.00 0.00 C ATOM 894 C PRO A 62 6.714 -0.092 8.887 1.00 0.00 C ATOM 895 O PRO A 62 7.534 0.213 8.009 1.00 0.00 O ATOM 896 CB PRO A 62 6.679 2.095 10.185 1.00 0.00 C ATOM 897 CG PRO A 62 8.088 2.656 10.298 1.00 0.00 C ATOM 898 CD PRO A 62 8.998 1.537 10.779 1.00 0.00 C ATOM 0 HA PRO A 62 6.022 0.145 10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.211 2.399 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.046 2.464 10.992 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.426 3.035 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.111 3.493 10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.832 1.383 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.425 1.766 11.756 1.00 0.00 H new ATOM 906 N ALA A 63 5.716 -0.981 8.734 1.00 0.00 N ATOM 907 CA ALA A 63 5.501 -1.691 7.484 1.00 0.00 C ATOM 908 C ALA A 63 3.999 -1.780 7.206 1.00 0.00 C ATOM 909 O ALA A 63 3.215 -1.305 8.040 1.00 0.00 O ATOM 910 CB ALA A 63 6.001 -3.130 7.616 1.00 0.00 C ATOM 0 H ALA A 63 5.050 -1.217 9.470 1.00 0.00 H new ATOM 0 HA ALA A 63 6.027 -1.161 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.838 -3.659 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.066 -3.125 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.456 -3.633 8.415 1.00 0.00 H new ATOM 916 N ALA A 64 3.634 -2.380 6.057 1.00 0.00 N ATOM 917 CA ALA A 64 2.240 -2.530 5.677 1.00 0.00 C ATOM 918 C ALA A 64 1.751 -3.921 6.085 1.00 0.00 C ATOM 919 O ALA A 64 2.305 -4.483 7.041 1.00 0.00 O ATOM 920 CB ALA A 64 2.112 -2.460 4.155 1.00 0.00 C ATOM 0 H ALA A 64 4.296 -2.765 5.383 1.00 0.00 H new ATOM 0 HA ALA A 64 1.663 -1.742 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.065 -2.573 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.481 -1.497 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.698 -3.260 3.703 1.00 0.00 H new ATOM 926 N GLY A 65 0.741 -4.441 5.363 1.00 0.00 N ATOM 927 CA GLY A 65 0.187 -5.752 5.647 1.00 0.00 C ATOM 928 C GLY A 65 -1.296 -5.768 5.269 1.00 0.00 C ATOM 929 O GLY A 65 -2.005 -4.818 5.628 1.00 0.00 O ATOM 0 H GLY A 65 0.300 -3.961 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.725 -6.516 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.307 -5.989 6.704 1.00 0.00 H new ATOM 933 N ASN A 66 -1.725 -6.829 4.562 1.00 0.00 N ATOM 934 CA ASN A 66 -3.110 -6.963 4.142 1.00 0.00 C ATOM 935 C ASN A 66 -3.510 -5.736 3.321 1.00 0.00 C ATOM 936 O ASN A 66 -3.637 -4.651 3.906 1.00 0.00 O ATOM 937 CB ASN A 66 -4.046 -7.052 5.348 1.00 0.00 C ATOM 938 CG ASN A 66 -4.038 -8.460 5.946 1.00 0.00 C ATOM 939 OD1 ASN A 66 -3.962 -9.458 5.251 1.00 0.00 O ATOM 940 ND2 ASN A 66 -4.118 -8.483 7.274 1.00 0.00 N ATOM 0 H ASN A 66 -1.123 -7.601 4.275 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.197 -7.875 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.739 -6.330 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.059 -6.787 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.118 -9.375 7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.179 -7.609 7.796 1.00 0.00 H new ATOM 947 N VAL A 67 -3.697 -5.928 2.003 1.00 0.00 N ATOM 948 CA VAL A 67 -4.079 -4.843 1.113 1.00 0.00 C ATOM 949 C VAL A 67 -5.118 -5.354 0.113 1.00 0.00 C ATOM 950 O VAL A 67 -4.818 -6.315 -0.612 1.00 0.00 O ATOM 951 CB VAL A 67 -2.837 -4.257 0.439 1.00 0.00 C ATOM 952 CG1 VAL A 67 -2.158 -3.227 1.343 1.00 0.00 C ATOM 953 CG2 VAL A 67 -1.859 -5.363 0.036 1.00 0.00 C ATOM 0 H VAL A 67 -3.587 -6.830 1.540 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.540 -4.031 1.675 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.157 -3.746 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.278 -2.826 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.854 -2.416 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.857 -3.704 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.985 -4.920 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.548 -5.915 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.347 -6.044 -0.662 1.00 0.00 H new ATOM 963 N THR A 68 -6.299 -4.710 0.091 1.00 0.00 N ATOM 964 CA THR A 68 -7.370 -5.096 -0.813 1.00 0.00 C ATOM 965 C THR A 68 -7.683 -3.929 -1.752 1.00 0.00 C ATOM 966 O THR A 68 -8.064 -2.860 -1.258 1.00 0.00 O ATOM 967 CB THR A 68 -8.572 -5.547 0.018 1.00 0.00 C ATOM 968 OG1 THR A 68 -9.700 -5.102 -0.733 1.00 0.00 O ATOM 969 CG2 THR A 68 -8.685 -4.790 1.343 1.00 0.00 C ATOM 0 H THR A 68 -6.525 -3.920 0.695 1.00 0.00 H new ATOM 0 HA THR A 68 -7.079 -5.936 -1.445 1.00 0.00 H new ATOM 0 HB THR A 68 -8.496 -6.616 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.524 -5.354 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.555 -5.148 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.786 -4.958 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.795 -3.724 1.145 1.00 0.00 H new ATOM 977 N SER A 69 -7.518 -4.155 -3.069 1.00 0.00 N ATOM 978 CA SER A 69 -7.780 -3.130 -4.065 1.00 0.00 C ATOM 979 C SER A 69 -9.134 -2.478 -3.773 1.00 0.00 C ATOM 980 O SER A 69 -10.097 -3.213 -3.505 1.00 0.00 O ATOM 981 CB SER A 69 -7.764 -3.708 -5.481 1.00 0.00 C ATOM 982 OG SER A 69 -8.515 -4.914 -5.575 1.00 0.00 O ATOM 0 H SER A 69 -7.203 -5.045 -3.456 1.00 0.00 H new ATOM 0 HA SER A 69 -6.990 -2.381 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.170 -2.973 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.734 -3.898 -5.783 1.00 0.00 H new ATOM 0 HG SER A 69 -9.290 -4.864 -4.977 1.00 0.00 H new ATOM 988 N LEU A 70 -9.182 -1.135 -3.833 1.00 0.00 N ATOM 989 CA LEU A 70 -10.406 -0.396 -3.579 1.00 0.00 C ATOM 990 C LEU A 70 -10.469 0.814 -4.513 1.00 0.00 C ATOM 991 O LEU A 70 -9.507 1.574 -4.613 1.00 0.00 O ATOM 992 CB LEU A 70 -10.516 -0.036 -2.096 1.00 0.00 C ATOM 993 CG LEU A 70 -10.043 1.366 -1.709 1.00 0.00 C ATOM 994 CD1 LEU A 70 -11.143 2.402 -1.951 1.00 0.00 C ATOM 995 CD2 LEU A 70 -9.535 1.396 -0.267 1.00 0.00 C ATOM 0 H LEU A 70 -8.378 -0.549 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.277 -1.013 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.558 -0.143 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.941 -0.763 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.203 1.632 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.781 3.390 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.415 2.404 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.018 2.151 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.205 2.405 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.338 1.100 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.699 0.704 -0.161 1.00 0.00 H new