USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 631 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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.103 K(o=0.1,f=-0.82) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -45:sc= 0.258 USER MOD Single : A 23 THR OG1 : rot -111:sc= 0.00282 USER MOD Single : A 24 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0176) USER MOD Single : A 38 ASN : amide:sc= -0.741 K(o=-0.74,f=-3.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.129 (180deg=-1.16) USER MOD Single : A 59 MET CE :methyl -166:sc=-0.00184 (180deg=-0.119) USER MOD Single : A 60 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.6) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.032) USER MOD Single : A 81 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.018) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 4.995 19.616 0.661 1.00 0.00 N ATOM 21 CA SER A 2 6.135 18.859 1.169 1.00 0.00 C ATOM 22 C SER A 2 5.909 17.354 0.984 1.00 0.00 C ATOM 23 O SER A 2 6.815 16.641 0.559 1.00 0.00 O ATOM 24 CB SER A 2 6.376 19.225 2.643 1.00 0.00 C ATOM 25 OG SER A 2 7.761 19.309 2.909 1.00 0.00 O ATOM 0 HA SER A 2 7.029 19.120 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.897 20.177 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.920 18.476 3.290 1.00 0.00 H new ATOM 0 HG SER A 2 7.900 19.544 3.850 1.00 0.00 H new ATOM 31 N LYS A 3 4.695 16.879 1.301 1.00 0.00 N ATOM 32 CA LYS A 3 4.303 15.477 1.192 1.00 0.00 C ATOM 33 C LYS A 3 4.378 14.957 -0.249 1.00 0.00 C ATOM 34 O LYS A 3 4.332 15.731 -1.205 1.00 0.00 O ATOM 35 CB LYS A 3 2.889 15.283 1.771 1.00 0.00 C ATOM 36 CG LYS A 3 1.741 15.481 0.763 1.00 0.00 C ATOM 37 CD LYS A 3 1.661 16.871 0.125 1.00 0.00 C ATOM 38 CE LYS A 3 1.231 17.945 1.132 1.00 0.00 C ATOM 39 NZ LYS A 3 0.081 18.720 0.634 1.00 0.00 N ATOM 0 H LYS A 3 3.946 17.478 1.648 1.00 0.00 H new ATOM 0 HA LYS A 3 5.015 14.890 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.818 14.278 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.752 15.981 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.845 14.741 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.797 15.277 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.633 17.134 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.954 16.848 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.971 17.474 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.067 18.617 1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.185 19.438 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.338 19.189 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.723 18.081 0.470 1.00 0.00 H new ATOM 53 N VAL A 4 4.465 13.632 -0.391 1.00 0.00 N ATOM 54 CA VAL A 4 4.611 12.971 -1.676 1.00 0.00 C ATOM 55 C VAL A 4 3.823 11.666 -1.637 1.00 0.00 C ATOM 56 O VAL A 4 4.355 10.627 -1.252 1.00 0.00 O ATOM 57 CB VAL A 4 6.113 12.802 -2.012 1.00 0.00 C ATOM 58 CG1 VAL A 4 7.004 12.279 -0.880 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.316 11.943 -3.268 1.00 0.00 C ATOM 0 H VAL A 4 4.435 12.986 0.398 1.00 0.00 H new ATOM 0 HA VAL A 4 4.198 13.568 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 4 6.444 13.825 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.033 12.202 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.960 12.967 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.654 11.296 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.382 11.846 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.886 10.955 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.824 12.418 -4.117 1.00 0.00 H new ATOM 69 N CYS A 5 2.541 11.720 -2.018 1.00 0.00 N ATOM 70 CA CYS A 5 1.749 10.500 -2.116 1.00 0.00 C ATOM 71 C CYS A 5 2.125 9.707 -3.375 1.00 0.00 C ATOM 72 O CYS A 5 2.603 10.280 -4.352 1.00 0.00 O ATOM 73 CB CYS A 5 0.221 10.708 -2.036 1.00 0.00 C ATOM 74 SG CYS A 5 -0.634 11.962 -1.036 1.00 0.00 S ATOM 0 H CYS A 5 2.044 12.578 -2.258 1.00 0.00 H new ATOM 0 HA CYS A 5 2.004 9.923 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.108 10.875 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.191 9.749 -1.721 1.00 0.00 H new ATOM 79 N ILE A 6 1.922 8.383 -3.345 1.00 0.00 N ATOM 80 CA ILE A 6 2.216 7.502 -4.481 1.00 0.00 C ATOM 81 C ILE A 6 1.156 6.390 -4.575 1.00 0.00 C ATOM 82 O ILE A 6 0.511 6.074 -3.578 1.00 0.00 O ATOM 83 CB ILE A 6 3.664 6.951 -4.399 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.206 6.783 -2.973 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.674 7.863 -5.116 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.384 5.779 -2.180 1.00 0.00 C ATOM 0 H ILE A 6 1.549 7.893 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 6 2.163 8.078 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 6 3.575 5.975 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.244 6.454 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.197 7.746 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.673 7.436 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.404 7.949 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.662 8.851 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.796 5.685 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.351 6.122 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.415 4.810 -2.677 1.00 0.00 H new ATOM 98 N ILE A 7 0.959 5.815 -5.770 1.00 0.00 N ATOM 99 CA ILE A 7 0.034 4.707 -6.028 1.00 0.00 C ATOM 100 C ILE A 7 0.846 3.465 -6.397 1.00 0.00 C ATOM 101 O ILE A 7 1.567 3.489 -7.392 1.00 0.00 O ATOM 102 CB ILE A 7 -1.008 5.085 -7.112 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.961 3.928 -7.473 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.398 5.570 -8.431 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.956 3.607 -6.364 1.00 0.00 C ATOM 0 H ILE A 7 1.455 6.119 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.542 4.487 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.552 5.900 -6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.507 4.185 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.374 3.037 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.196 5.813 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.207 6.458 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.229 4.784 -8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.599 2.785 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.415 3.321 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.567 4.486 -6.157 1.00 0.00 H new ATOM 117 N ALA A 8 0.738 2.393 -5.598 1.00 0.00 N ATOM 118 CA ALA A 8 1.434 1.134 -5.823 1.00 0.00 C ATOM 119 C ALA A 8 0.434 0.024 -6.155 1.00 0.00 C ATOM 120 O ALA A 8 -0.331 -0.394 -5.286 1.00 0.00 O ATOM 121 CB ALA A 8 2.302 0.775 -4.613 1.00 0.00 C ATOM 0 H ALA A 8 0.151 2.385 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 8 2.099 1.246 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.814 -0.169 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.039 1.561 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.672 0.677 -3.729 1.00 0.00 H new ATOM 127 N TRP A 9 0.449 -0.455 -7.406 1.00 0.00 N ATOM 128 CA TRP A 9 -0.411 -1.541 -7.871 1.00 0.00 C ATOM 129 C TRP A 9 0.299 -2.879 -7.718 1.00 0.00 C ATOM 130 O TRP A 9 1.351 -3.068 -8.321 1.00 0.00 O ATOM 131 CB TRP A 9 -0.762 -1.337 -9.346 1.00 0.00 C ATOM 132 CG TRP A 9 -1.736 -0.239 -9.603 1.00 0.00 C ATOM 133 CD1 TRP A 9 -3.052 -0.305 -9.321 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.523 1.067 -10.210 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.670 0.870 -9.684 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.775 1.748 -10.256 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.404 1.738 -10.745 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.910 3.032 -10.805 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.536 3.011 -11.330 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.780 3.666 -11.344 1.00 0.00 C ATOM 0 H TRP A 9 1.069 -0.091 -8.130 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.320 -1.538 -7.270 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.154 -1.130 -9.899 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.170 -2.267 -9.741 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.549 -1.155 -8.876 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.662 1.066 -9.547 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.568 1.268 -10.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.870 3.526 -10.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.326 3.489 -11.772 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.866 4.655 -11.769 1.00 0.00 H new ATOM 151 N VAL A 10 -0.292 -3.802 -6.947 1.00 0.00 N ATOM 152 CA VAL A 10 0.270 -5.114 -6.655 1.00 0.00 C ATOM 153 C VAL A 10 -0.485 -6.173 -7.473 1.00 0.00 C ATOM 154 O VAL A 10 -1.694 -6.317 -7.307 1.00 0.00 O ATOM 155 CB VAL A 10 0.178 -5.411 -5.143 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.149 -6.542 -4.779 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.518 -4.217 -4.236 1.00 0.00 C ATOM 0 H VAL A 10 -1.196 -3.646 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 10 1.324 -5.135 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.865 -5.676 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.082 -6.750 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.889 -7.440 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.167 -6.241 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.427 -4.516 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.539 -3.890 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.171 -3.397 -4.440 1.00 0.00 H new ATOM 167 N TYR A 11 0.220 -6.913 -8.341 1.00 0.00 N ATOM 168 CA TYR A 11 -0.347 -7.977 -9.167 1.00 0.00 C ATOM 169 C TYR A 11 -0.174 -9.349 -8.513 1.00 0.00 C ATOM 170 O TYR A 11 0.444 -9.472 -7.455 1.00 0.00 O ATOM 171 CB TYR A 11 0.253 -7.970 -10.583 1.00 0.00 C ATOM 172 CG TYR A 11 -0.124 -6.774 -11.433 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.560 -5.551 -11.302 1.00 0.00 C ATOM 174 CD2 TYR A 11 -1.119 -6.915 -12.420 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.268 -4.485 -12.169 1.00 0.00 C ATOM 176 CE2 TYR A 11 -1.409 -5.849 -13.287 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.711 -4.636 -13.167 1.00 0.00 C ATOM 178 OH TYR A 11 -0.979 -3.605 -14.018 1.00 0.00 O ATOM 0 H TYR A 11 1.221 -6.782 -8.488 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.416 -7.780 -9.253 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.339 -8.010 -10.501 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.062 -8.877 -11.099 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.310 -5.432 -10.534 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.660 -7.845 -12.510 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.796 -3.548 -12.069 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.169 -5.962 -14.046 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.680 -3.874 -14.648 1.00 0.00 H new ATOM 188 N GLY A 12 -0.728 -10.383 -9.158 1.00 0.00 N ATOM 189 CA GLY A 12 -0.662 -11.747 -8.677 1.00 0.00 C ATOM 190 C GLY A 12 -1.612 -11.971 -7.509 1.00 0.00 C ATOM 191 O GLY A 12 -2.604 -11.263 -7.359 1.00 0.00 O ATOM 0 H GLY A 12 -1.237 -10.283 -10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.911 -12.432 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.358 -11.976 -8.368 1.00 0.00 H new ATOM 195 N ARG A 13 -1.305 -12.981 -6.693 1.00 0.00 N ATOM 196 CA ARG A 13 -2.169 -13.427 -5.608 1.00 0.00 C ATOM 197 C ARG A 13 -1.901 -12.660 -4.317 1.00 0.00 C ATOM 198 O ARG A 13 -1.030 -13.035 -3.533 1.00 0.00 O ATOM 199 CB ARG A 13 -2.028 -14.928 -5.368 1.00 0.00 C ATOM 200 CG ARG A 13 -2.211 -15.719 -6.667 1.00 0.00 C ATOM 201 CD ARG A 13 -2.658 -17.157 -6.383 1.00 0.00 C ATOM 202 NE ARG A 13 -3.357 -17.716 -7.546 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.594 -17.353 -7.930 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.308 -16.477 -7.205 1.00 0.00 N ATOM 205 NH2 ARG A 13 -5.118 -17.862 -9.051 1.00 0.00 N ATOM 0 H ARG A 13 -0.440 -13.515 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.194 -13.220 -5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.046 -15.140 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.767 -15.252 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.950 -15.223 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.274 -15.730 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.792 -17.773 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.315 -17.175 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.874 -18.425 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.913 -16.079 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.245 -16.209 -7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.580 -18.523 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.056 -17.589 -9.345 1.00 0.00 H new ATOM 219 N VAL A 14 -2.671 -11.586 -4.120 1.00 0.00 N ATOM 220 CA VAL A 14 -2.516 -10.660 -3.005 1.00 0.00 C ATOM 221 C VAL A 14 -3.856 -10.486 -2.278 1.00 0.00 C ATOM 222 O VAL A 14 -3.905 -10.524 -1.048 1.00 0.00 O ATOM 223 CB VAL A 14 -1.977 -9.324 -3.540 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.567 -8.398 -2.388 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.733 -9.527 -4.410 1.00 0.00 C ATOM 0 H VAL A 14 -3.435 -11.335 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.803 -11.054 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.783 -8.884 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.189 -7.459 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.432 -8.198 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.788 -8.878 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.380 -8.561 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.050 -10.002 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.983 -10.162 -5.260 1.00 0.00 H new ATOM 235 N GLN A 15 -4.943 -10.289 -3.041 1.00 0.00 N ATOM 236 CA GLN A 15 -6.287 -10.135 -2.497 1.00 0.00 C ATOM 237 C GLN A 15 -6.785 -11.469 -1.942 1.00 0.00 C ATOM 238 O GLN A 15 -6.518 -12.524 -2.516 1.00 0.00 O ATOM 239 CB GLN A 15 -7.245 -9.546 -3.541 1.00 0.00 C ATOM 240 CG GLN A 15 -7.586 -10.438 -4.735 1.00 0.00 C ATOM 241 CD GLN A 15 -8.676 -9.781 -5.581 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.722 -10.378 -5.815 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.451 -8.542 -6.024 1.00 0.00 N ATOM 0 H GLN A 15 -4.906 -10.233 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.253 -9.424 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.175 -9.279 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.810 -8.621 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.695 -10.606 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.923 -11.414 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.569 -8.076 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.161 -8.061 -6.576 1.00 0.00 H new ATOM 252 N GLY A 16 -7.504 -11.416 -0.816 1.00 0.00 N ATOM 253 CA GLY A 16 -8.086 -12.588 -0.180 1.00 0.00 C ATOM 254 C GLY A 16 -7.079 -13.393 0.649 1.00 0.00 C ATOM 255 O GLY A 16 -7.374 -14.529 1.008 1.00 0.00 O ATOM 0 H GLY A 16 -7.697 -10.546 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.907 -12.273 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.513 -13.234 -0.947 1.00 0.00 H new ATOM 259 N VAL A 17 -5.911 -12.811 0.961 1.00 0.00 N ATOM 260 CA VAL A 17 -4.866 -13.432 1.771 1.00 0.00 C ATOM 261 C VAL A 17 -4.742 -12.697 3.108 1.00 0.00 C ATOM 262 O VAL A 17 -4.633 -13.336 4.152 1.00 0.00 O ATOM 263 CB VAL A 17 -3.539 -13.445 0.989 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.387 -14.003 1.836 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.673 -14.303 -0.277 1.00 0.00 C ATOM 0 H VAL A 17 -5.666 -11.872 0.646 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.128 -14.467 1.989 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.315 -12.412 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.468 -13.996 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.256 -13.385 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.618 -15.025 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.727 -14.302 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.931 -15.325 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.456 -13.892 -0.914 1.00 0.00 H new ATOM 275 N GLY A 18 -4.753 -11.358 3.067 1.00 0.00 N ATOM 276 CA GLY A 18 -4.584 -10.483 4.213 1.00 0.00 C ATOM 277 C GLY A 18 -3.377 -9.560 4.052 1.00 0.00 C ATOM 278 O GLY A 18 -2.848 -9.061 5.041 1.00 0.00 O ATOM 0 H GLY A 18 -4.886 -10.844 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.484 -9.883 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.464 -11.084 5.114 1.00 0.00 H new ATOM 282 N PHE A 19 -2.944 -9.309 2.809 1.00 0.00 N ATOM 283 CA PHE A 19 -1.843 -8.395 2.528 1.00 0.00 C ATOM 284 C PHE A 19 -2.128 -6.982 3.037 1.00 0.00 C ATOM 285 O PHE A 19 -1.209 -6.216 3.287 1.00 0.00 O ATOM 286 CB PHE A 19 -1.591 -8.349 1.021 1.00 0.00 C ATOM 287 CG PHE A 19 -0.121 -8.284 0.672 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.593 -9.480 0.467 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.511 -7.045 0.468 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.937 -9.434 0.065 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.842 -7.008 0.018 1.00 0.00 C ATOM 292 CZ PHE A 19 2.570 -8.196 -0.117 1.00 0.00 C ATOM 0 H PHE A 19 -3.350 -9.736 1.976 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.962 -8.767 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.031 -9.232 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.098 -7.481 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.107 -10.432 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.024 -6.126 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.483 -10.351 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.304 -6.062 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.621 -8.159 -0.362 1.00 0.00 H new ATOM 302 N ARG A 20 -3.409 -6.633 3.158 1.00 0.00 N ATOM 303 CA ARG A 20 -3.896 -5.381 3.715 1.00 0.00 C ATOM 304 C ARG A 20 -4.398 -5.558 5.157 1.00 0.00 C ATOM 305 O ARG A 20 -5.292 -4.833 5.581 1.00 0.00 O ATOM 306 CB ARG A 20 -4.969 -4.801 2.778 1.00 0.00 C ATOM 307 CG ARG A 20 -5.960 -5.833 2.214 1.00 0.00 C ATOM 308 CD ARG A 20 -6.585 -6.772 3.259 1.00 0.00 C ATOM 309 NE ARG A 20 -7.578 -7.658 2.649 1.00 0.00 N ATOM 310 CZ ARG A 20 -8.840 -7.312 2.354 1.00 0.00 C ATOM 311 NH1 ARG A 20 -9.283 -6.065 2.584 1.00 0.00 N ATOM 312 NH2 ARG A 20 -9.654 -8.236 1.827 1.00 0.00 N ATOM 0 H ARG A 20 -4.166 -7.246 2.855 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.075 -4.667 3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.529 -4.038 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.473 -4.302 1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.761 -5.302 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.446 -6.437 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.803 -7.368 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.055 -6.183 4.046 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.288 -8.611 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.657 -5.368 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.245 -5.815 2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.310 -9.181 1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.617 -7.994 1.595 1.00 0.00 H new ATOM 326 N TYR A 21 -3.828 -6.492 5.927 1.00 0.00 N ATOM 327 CA TYR A 21 -4.205 -6.701 7.322 1.00 0.00 C ATOM 328 C TYR A 21 -3.263 -5.908 8.226 1.00 0.00 C ATOM 329 O TYR A 21 -3.698 -5.001 8.936 1.00 0.00 O ATOM 330 CB TYR A 21 -4.211 -8.200 7.648 1.00 0.00 C ATOM 331 CG TYR A 21 -5.103 -8.575 8.814 1.00 0.00 C ATOM 332 CD1 TYR A 21 -6.496 -8.633 8.624 1.00 0.00 C ATOM 333 CD2 TYR A 21 -4.553 -8.915 10.064 1.00 0.00 C ATOM 334 CE1 TYR A 21 -7.337 -9.036 9.674 1.00 0.00 C ATOM 335 CE2 TYR A 21 -5.395 -9.323 11.114 1.00 0.00 C ATOM 336 CZ TYR A 21 -6.786 -9.387 10.919 1.00 0.00 C ATOM 337 OH TYR A 21 -7.600 -9.789 11.937 1.00 0.00 O ATOM 0 H TYR A 21 -3.095 -7.120 5.598 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.217 -6.335 7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.534 -8.752 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.192 -8.517 7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.920 -8.367 7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.485 -8.863 10.217 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.406 -9.076 9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.972 -9.588 12.072 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.058 -9.995 12.727 1.00 0.00 H new ATOM 347 N THR A 22 -1.964 -6.228 8.169 1.00 0.00 N ATOM 348 CA THR A 22 -0.935 -5.567 8.967 1.00 0.00 C ATOM 349 C THR A 22 -0.527 -4.194 8.406 1.00 0.00 C ATOM 350 O THR A 22 0.284 -3.502 9.021 1.00 0.00 O ATOM 351 CB THR A 22 0.273 -6.500 9.156 1.00 0.00 C ATOM 352 OG1 THR A 22 1.082 -6.021 10.211 1.00 0.00 O ATOM 353 CG2 THR A 22 1.119 -6.632 7.886 1.00 0.00 C ATOM 0 H THR A 22 -1.599 -6.961 7.560 1.00 0.00 H new ATOM 0 HA THR A 22 -1.365 -5.360 9.947 1.00 0.00 H new ATOM 0 HB THR A 22 -0.118 -7.490 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.208 -5.054 10.114 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.958 -7.302 8.076 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.506 -7.037 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.496 -5.651 7.596 1.00 0.00 H new ATOM 361 N THR A 23 -1.107 -3.778 7.270 1.00 0.00 N ATOM 362 CA THR A 23 -0.901 -2.449 6.714 1.00 0.00 C ATOM 363 C THR A 23 -1.345 -1.359 7.697 1.00 0.00 C ATOM 364 O THR A 23 -0.802 -0.257 7.663 1.00 0.00 O ATOM 365 CB THR A 23 -1.598 -2.329 5.347 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.188 -1.158 4.675 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.122 -2.342 5.473 1.00 0.00 C ATOM 0 H THR A 23 -1.733 -4.362 6.716 1.00 0.00 H new ATOM 0 HA THR A 23 0.166 -2.299 6.551 1.00 0.00 H new ATOM 0 HB THR A 23 -1.301 -3.202 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.936 -0.526 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.570 -2.255 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.441 -3.276 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.443 -1.504 6.091 1.00 0.00 H new ATOM 375 N GLN A 24 -2.297 -1.663 8.591 1.00 0.00 N ATOM 376 CA GLN A 24 -2.789 -0.719 9.585 1.00 0.00 C ATOM 377 C GLN A 24 -1.728 -0.462 10.661 1.00 0.00 C ATOM 378 O GLN A 24 -1.375 0.689 10.905 1.00 0.00 O ATOM 379 CB GLN A 24 -4.095 -1.230 10.208 1.00 0.00 C ATOM 380 CG GLN A 24 -5.211 -1.377 9.158 1.00 0.00 C ATOM 381 CD GLN A 24 -6.468 -0.562 9.439 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.743 -0.159 10.567 1.00 0.00 O ATOM 383 NE2 GLN A 24 -7.259 -0.341 8.391 1.00 0.00 N ATOM 0 H GLN A 24 -2.745 -2.578 8.639 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.998 0.229 9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.917 -2.193 10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.419 -0.542 10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.816 -1.084 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.486 -2.429 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.996 -0.692 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.128 0.179 8.509 1.00 0.00 H new ATOM 392 N TYR A 25 -1.236 -1.523 11.317 1.00 0.00 N ATOM 393 CA TYR A 25 -0.242 -1.410 12.383 1.00 0.00 C ATOM 394 C TYR A 25 0.962 -0.592 11.929 1.00 0.00 C ATOM 395 O TYR A 25 1.303 0.407 12.560 1.00 0.00 O ATOM 396 CB TYR A 25 0.229 -2.797 12.832 1.00 0.00 C ATOM 397 CG TYR A 25 -0.775 -3.560 13.670 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.900 -3.280 15.043 1.00 0.00 C ATOM 399 CD2 TYR A 25 -1.536 -4.591 13.095 1.00 0.00 C ATOM 400 CE1 TYR A 25 -1.779 -4.036 15.838 1.00 0.00 C ATOM 401 CE2 TYR A 25 -2.414 -5.348 13.889 1.00 0.00 C ATOM 402 CZ TYR A 25 -2.534 -5.072 15.261 1.00 0.00 C ATOM 403 OH TYR A 25 -3.382 -5.813 16.030 1.00 0.00 O ATOM 0 H TYR A 25 -1.519 -2.483 11.120 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.718 -0.901 13.221 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.470 -3.388 11.949 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.151 -2.687 13.403 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.320 -2.484 15.486 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.446 -4.803 12.040 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.874 -3.821 16.892 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.996 -6.142 13.445 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.826 -6.486 15.472 1.00 0.00 H new ATOM 413 N GLU A 26 1.603 -1.029 10.840 1.00 0.00 N ATOM 414 CA GLU A 26 2.768 -0.363 10.279 1.00 0.00 C ATOM 415 C GLU A 26 2.459 1.107 10.001 1.00 0.00 C ATOM 416 O GLU A 26 3.235 1.980 10.386 1.00 0.00 O ATOM 417 CB GLU A 26 3.208 -1.095 9.000 1.00 0.00 C ATOM 418 CG GLU A 26 4.557 -1.830 9.148 1.00 0.00 C ATOM 419 CD GLU A 26 4.443 -3.317 8.824 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.086 -3.620 7.666 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.723 -4.123 9.738 1.00 0.00 O ATOM 0 H GLU A 26 1.320 -1.862 10.324 1.00 0.00 H new ATOM 0 HA GLU A 26 3.588 -0.395 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.439 -1.815 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.283 -0.375 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.293 -1.372 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.925 -1.709 10.167 1.00 0.00 H new ATOM 428 N ALA A 27 1.311 1.376 9.365 1.00 0.00 N ATOM 429 CA ALA A 27 0.873 2.731 9.066 1.00 0.00 C ATOM 430 C ALA A 27 0.827 3.620 10.311 1.00 0.00 C ATOM 431 O ALA A 27 1.035 4.827 10.209 1.00 0.00 O ATOM 432 CB ALA A 27 -0.493 2.706 8.370 1.00 0.00 C ATOM 0 H ALA A 27 0.665 0.654 9.046 1.00 0.00 H new ATOM 0 HA ALA A 27 1.611 3.168 8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.809 3.726 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.417 2.143 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.225 2.231 9.023 1.00 0.00 H new ATOM 438 N LYS A 28 0.573 3.023 11.482 1.00 0.00 N ATOM 439 CA LYS A 28 0.534 3.715 12.763 1.00 0.00 C ATOM 440 C LYS A 28 1.928 4.184 13.200 1.00 0.00 C ATOM 441 O LYS A 28 2.044 5.209 13.869 1.00 0.00 O ATOM 442 CB LYS A 28 -0.113 2.801 13.820 1.00 0.00 C ATOM 443 CG LYS A 28 -1.086 3.591 14.699 1.00 0.00 C ATOM 444 CD LYS A 28 -1.794 2.668 15.699 1.00 0.00 C ATOM 445 CE LYS A 28 -2.940 3.401 16.406 1.00 0.00 C ATOM 446 NZ LYS A 28 -2.449 4.469 17.295 1.00 0.00 N ATOM 0 H LYS A 28 0.386 2.023 11.560 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.073 4.614 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.641 1.985 13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.661 2.350 14.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.546 4.370 15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.825 4.090 14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.183 1.793 15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.078 2.308 16.437 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.610 3.830 15.661 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.524 2.686 16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.256 4.938 17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.830 4.058 18.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.914 5.165 16.738 1.00 0.00 H new ATOM 460 N ARG A 29 2.980 3.442 12.829 1.00 0.00 N ATOM 461 CA ARG A 29 4.362 3.758 13.170 1.00 0.00 C ATOM 462 C ARG A 29 4.869 4.957 12.360 1.00 0.00 C ATOM 463 O ARG A 29 5.620 5.776 12.887 1.00 0.00 O ATOM 464 CB ARG A 29 5.265 2.530 12.956 1.00 0.00 C ATOM 465 CG ARG A 29 4.766 1.247 13.637 1.00 0.00 C ATOM 466 CD ARG A 29 4.741 1.342 15.171 1.00 0.00 C ATOM 467 NE ARG A 29 5.754 0.478 15.794 1.00 0.00 N ATOM 468 CZ ARG A 29 5.713 -0.865 15.818 1.00 0.00 C ATOM 469 NH1 ARG A 29 4.696 -1.531 15.251 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.705 -1.543 16.409 1.00 0.00 N ATOM 0 H ARG A 29 2.886 2.591 12.274 1.00 0.00 H new ATOM 0 HA ARG A 29 4.398 4.030 14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.359 2.346 11.886 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.263 2.759 13.328 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.762 1.020 13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.406 0.415 13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.911 2.375 15.473 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.753 1.062 15.535 1.00 0.00 H new ATOM 0 HE ARG A 29 6.549 0.933 16.243 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.942 -1.018 14.795 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.677 -2.551 15.276 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.483 -1.040 16.836 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.683 -2.562 16.432 1.00 0.00 H new ATOM 484 N LEU A 30 4.462 5.061 11.089 1.00 0.00 N ATOM 485 CA LEU A 30 4.824 6.165 10.206 1.00 0.00 C ATOM 486 C LEU A 30 3.870 7.348 10.368 1.00 0.00 C ATOM 487 O LEU A 30 4.278 8.490 10.167 1.00 0.00 O ATOM 488 CB LEU A 30 4.855 5.685 8.746 1.00 0.00 C ATOM 489 CG LEU A 30 6.020 4.750 8.386 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.358 5.303 8.876 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.855 3.318 8.895 1.00 0.00 C ATOM 0 H LEU A 30 3.862 4.367 10.643 1.00 0.00 H new ATOM 0 HA LEU A 30 5.820 6.509 10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.918 5.171 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.897 6.558 8.095 1.00 0.00 H new ATOM 0 HG LEU A 30 6.009 4.709 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.158 4.615 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.541 6.274 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.330 5.416 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.720 2.724 8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.775 3.325 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.952 2.882 8.468 1.00 0.00 H new ATOM 503 N GLY A 31 2.608 7.082 10.717 1.00 0.00 N ATOM 504 CA GLY A 31 1.583 8.102 10.855 1.00 0.00 C ATOM 505 C GLY A 31 1.108 8.636 9.504 1.00 0.00 C ATOM 506 O GLY A 31 0.555 9.733 9.434 1.00 0.00 O ATOM 0 H GLY A 31 2.273 6.139 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.733 7.688 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.973 8.927 11.452 1.00 0.00 H new ATOM 510 N LEU A 32 1.320 7.860 8.436 1.00 0.00 N ATOM 511 CA LEU A 32 0.886 8.195 7.090 1.00 0.00 C ATOM 512 C LEU A 32 -0.599 7.891 6.899 1.00 0.00 C ATOM 513 O LEU A 32 -1.262 7.389 7.807 1.00 0.00 O ATOM 514 CB LEU A 32 1.763 7.477 6.059 1.00 0.00 C ATOM 515 CG LEU A 32 1.304 6.081 5.610 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.371 5.502 4.704 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.091 5.122 6.771 1.00 0.00 C ATOM 0 H LEU A 32 1.808 6.966 8.492 1.00 0.00 H new ATOM 0 HA LEU A 32 1.007 9.267 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.836 8.111 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.768 7.388 6.471 1.00 0.00 H new ATOM 0 HG LEU A 32 0.346 6.197 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.067 4.509 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.503 6.150 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.312 5.430 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.768 4.154 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.025 5.002 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.327 5.522 7.438 1.00 0.00 H new ATOM 529 N THR A 33 -1.112 8.201 5.706 1.00 0.00 N ATOM 530 CA THR A 33 -2.522 8.070 5.390 1.00 0.00 C ATOM 531 C THR A 33 -2.678 7.156 4.172 1.00 0.00 C ATOM 532 O THR A 33 -1.725 6.476 3.797 1.00 0.00 O ATOM 533 CB THR A 33 -3.067 9.480 5.148 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.425 10.049 4.025 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.832 10.388 6.363 1.00 0.00 C ATOM 0 H THR A 33 -0.549 8.552 4.931 1.00 0.00 H new ATOM 0 HA THR A 33 -3.089 7.613 6.201 1.00 0.00 H new ATOM 0 HB THR A 33 -4.140 9.398 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.522 11.024 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.231 11.381 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.335 9.968 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.763 10.460 6.562 1.00 0.00 H new ATOM 543 N GLY A 34 -3.849 7.159 3.526 1.00 0.00 N ATOM 544 CA GLY A 34 -4.063 6.468 2.263 1.00 0.00 C ATOM 545 C GLY A 34 -5.103 5.378 2.408 1.00 0.00 C ATOM 546 O GLY A 34 -6.001 5.478 3.240 1.00 0.00 O ATOM 0 H GLY A 34 -4.676 7.646 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.383 7.182 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.124 6.035 1.918 1.00 0.00 H new ATOM 550 N TYR A 35 -4.978 4.342 1.579 1.00 0.00 N ATOM 551 CA TYR A 35 -5.842 3.174 1.667 1.00 0.00 C ATOM 552 C TYR A 35 -5.349 2.022 0.801 1.00 0.00 C ATOM 553 O TYR A 35 -4.562 2.229 -0.118 1.00 0.00 O ATOM 554 CB TYR A 35 -7.283 3.520 1.273 1.00 0.00 C ATOM 555 CG TYR A 35 -7.465 3.854 -0.194 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.673 2.826 -1.131 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.350 5.188 -0.633 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.733 3.130 -2.501 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.487 5.494 -1.999 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.684 4.464 -2.933 1.00 0.00 C ATOM 561 OH TYR A 35 -7.826 4.752 -4.258 1.00 0.00 O ATOM 0 H TYR A 35 -4.281 4.292 0.836 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.816 2.854 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.928 2.678 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.617 4.368 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.786 1.805 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.157 5.976 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.817 2.333 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.441 6.521 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.769 5.721 -4.390 1.00 0.00 H new ATOM 571 N ALA A 36 -5.864 0.821 1.090 1.00 0.00 N ATOM 572 CA ALA A 36 -5.551 -0.400 0.358 1.00 0.00 C ATOM 573 C ALA A 36 -6.821 -1.074 -0.180 1.00 0.00 C ATOM 574 O ALA A 36 -7.503 -1.769 0.573 1.00 0.00 O ATOM 575 CB ALA A 36 -4.761 -1.327 1.284 1.00 0.00 C ATOM 0 H ALA A 36 -6.522 0.674 1.855 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.944 -0.161 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.516 -2.248 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.841 -0.832 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.362 -1.562 2.162 1.00 0.00 H new ATOM 581 N LYS A 37 -7.136 -0.879 -1.472 1.00 0.00 N ATOM 582 CA LYS A 37 -8.274 -1.500 -2.157 1.00 0.00 C ATOM 583 C LYS A 37 -7.823 -2.702 -2.985 1.00 0.00 C ATOM 584 O LYS A 37 -6.631 -2.961 -3.107 1.00 0.00 O ATOM 585 CB LYS A 37 -9.034 -0.476 -3.023 1.00 0.00 C ATOM 586 CG LYS A 37 -10.248 0.076 -2.262 1.00 0.00 C ATOM 587 CD LYS A 37 -10.928 1.269 -2.943 1.00 0.00 C ATOM 588 CE LYS A 37 -12.154 1.731 -2.140 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.290 0.796 -2.259 1.00 0.00 N ATOM 0 H LYS A 37 -6.590 -0.269 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.966 -1.860 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.368 0.341 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.362 -0.947 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.979 -0.723 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.931 0.375 -1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.219 2.092 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.232 0.992 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.880 1.833 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.461 2.718 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.113 1.184 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.528 0.665 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.030 -0.121 -1.842 1.00 0.00 H new ATOM 603 N ASN A 38 -8.794 -3.443 -3.540 1.00 0.00 N ATOM 604 CA ASN A 38 -8.571 -4.626 -4.360 1.00 0.00 C ATOM 605 C ASN A 38 -9.261 -4.426 -5.709 1.00 0.00 C ATOM 606 O ASN A 38 -10.400 -3.965 -5.759 1.00 0.00 O ATOM 607 CB ASN A 38 -9.053 -5.901 -3.649 1.00 0.00 C ATOM 608 CG ASN A 38 -8.383 -6.189 -2.310 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.542 -5.442 -1.820 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.776 -7.298 -1.689 1.00 0.00 N ATOM 0 H ASN A 38 -9.783 -3.222 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.502 -4.758 -4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.129 -5.825 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.888 -6.751 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.376 -7.544 -0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.477 -7.902 -2.118 1.00 0.00 H new ATOM 617 N LEU A 39 -8.555 -4.768 -6.791 1.00 0.00 N ATOM 618 CA LEU A 39 -9.054 -4.736 -8.159 1.00 0.00 C ATOM 619 C LEU A 39 -9.987 -5.921 -8.405 1.00 0.00 C ATOM 620 O LEU A 39 -10.116 -6.815 -7.571 1.00 0.00 O ATOM 621 CB LEU A 39 -7.873 -4.777 -9.149 1.00 0.00 C ATOM 622 CG LEU A 39 -7.180 -3.422 -9.389 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.993 -3.534 -10.360 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.180 -2.426 -9.992 1.00 0.00 C ATOM 0 H LEU A 39 -7.587 -5.085 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.612 -3.812 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.133 -5.487 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.232 -5.159 -10.105 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.813 -3.084 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.540 -2.552 -10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.253 -4.222 -9.952 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.344 -3.907 -11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.685 -1.470 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.552 -2.813 -10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.014 -2.287 -9.305 1.00 0.00 H new ATOM 636 N ASP A 40 -10.623 -5.921 -9.579 1.00 0.00 N ATOM 637 CA ASP A 40 -11.546 -6.966 -10.008 1.00 0.00 C ATOM 638 C ASP A 40 -10.846 -8.022 -10.873 1.00 0.00 C ATOM 639 O ASP A 40 -11.517 -8.893 -11.423 1.00 0.00 O ATOM 640 CB ASP A 40 -12.725 -6.317 -10.749 1.00 0.00 C ATOM 641 CG ASP A 40 -13.512 -5.323 -9.891 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.413 -5.411 -8.648 1.00 0.00 O ATOM 643 OD2 ASP A 40 -14.211 -4.488 -10.503 1.00 0.00 O ATOM 0 H ASP A 40 -10.506 -5.179 -10.269 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.921 -7.492 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.349 -5.803 -11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.400 -7.099 -11.097 1.00 0.00 H new ATOM 648 N ASP A 41 -9.510 -7.959 -10.982 1.00 0.00 N ATOM 649 CA ASP A 41 -8.692 -8.873 -11.776 1.00 0.00 C ATOM 650 C ASP A 41 -7.815 -9.775 -10.898 1.00 0.00 C ATOM 651 O ASP A 41 -7.106 -10.631 -11.426 1.00 0.00 O ATOM 652 CB ASP A 41 -7.834 -8.052 -12.746 1.00 0.00 C ATOM 653 CG ASP A 41 -7.500 -8.837 -14.014 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.424 -8.984 -14.845 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.333 -9.266 -14.137 1.00 0.00 O ATOM 0 H ASP A 41 -8.958 -7.247 -10.504 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.353 -9.536 -12.335 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.363 -7.137 -13.014 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.911 -7.753 -12.250 1.00 0.00 H new ATOM 660 N GLY A 42 -7.857 -9.591 -9.570 1.00 0.00 N ATOM 661 CA GLY A 42 -7.095 -10.358 -8.599 1.00 0.00 C ATOM 662 C GLY A 42 -5.946 -9.577 -7.953 1.00 0.00 C ATOM 663 O GLY A 42 -5.150 -10.156 -7.221 1.00 0.00 O ATOM 0 H GLY A 42 -8.445 -8.878 -9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.769 -10.707 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.689 -11.244 -9.088 1.00 0.00 H new ATOM 667 N SER A 43 -5.861 -8.274 -8.226 1.00 0.00 N ATOM 668 CA SER A 43 -4.768 -7.393 -7.825 1.00 0.00 C ATOM 669 C SER A 43 -5.172 -6.519 -6.627 1.00 0.00 C ATOM 670 O SER A 43 -6.351 -6.461 -6.282 1.00 0.00 O ATOM 671 CB SER A 43 -4.409 -6.538 -9.045 1.00 0.00 C ATOM 672 OG SER A 43 -3.887 -7.325 -10.090 1.00 0.00 O ATOM 0 H SER A 43 -6.583 -7.785 -8.755 1.00 0.00 H new ATOM 0 HA SER A 43 -3.905 -7.974 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.296 -6.009 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.679 -5.781 -8.758 1.00 0.00 H new ATOM 0 HG SER A 43 -3.669 -6.751 -10.854 1.00 0.00 H new ATOM 678 N VAL A 44 -4.193 -5.877 -5.967 1.00 0.00 N ATOM 679 CA VAL A 44 -4.395 -5.048 -4.774 1.00 0.00 C ATOM 680 C VAL A 44 -3.742 -3.673 -4.958 1.00 0.00 C ATOM 681 O VAL A 44 -2.541 -3.604 -5.196 1.00 0.00 O ATOM 682 CB VAL A 44 -3.846 -5.785 -3.540 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.915 -4.941 -2.259 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.689 -7.041 -3.292 1.00 0.00 C ATOM 0 H VAL A 44 -3.217 -5.924 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.461 -4.877 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.802 -6.015 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.514 -5.514 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.328 -4.032 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.952 -4.677 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.306 -7.569 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.726 -6.754 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.635 -7.693 -4.163 1.00 0.00 H new ATOM 694 N GLU A 45 -4.515 -2.587 -4.836 1.00 0.00 N ATOM 695 CA GLU A 45 -4.036 -1.216 -4.997 1.00 0.00 C ATOM 696 C GLU A 45 -3.772 -0.567 -3.640 1.00 0.00 C ATOM 697 O GLU A 45 -4.695 -0.486 -2.834 1.00 0.00 O ATOM 698 CB GLU A 45 -5.089 -0.364 -5.715 1.00 0.00 C ATOM 699 CG GLU A 45 -5.751 -1.071 -6.895 1.00 0.00 C ATOM 700 CD GLU A 45 -6.356 -0.046 -7.852 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.988 0.907 -7.345 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.156 -0.213 -9.073 1.00 0.00 O ATOM 0 H GLU A 45 -5.510 -2.642 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.115 -1.262 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.858 -0.074 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.620 0.554 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.017 -1.681 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.528 -1.746 -6.535 1.00 0.00 H new ATOM 709 N VAL A 46 -2.549 -0.076 -3.395 1.00 0.00 N ATOM 710 CA VAL A 46 -2.176 0.545 -2.126 1.00 0.00 C ATOM 711 C VAL A 46 -1.709 1.981 -2.374 1.00 0.00 C ATOM 712 O VAL A 46 -0.909 2.207 -3.277 1.00 0.00 O ATOM 713 CB VAL A 46 -1.077 -0.301 -1.460 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.650 0.277 -0.105 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.568 -1.737 -1.221 1.00 0.00 C ATOM 0 H VAL A 46 -1.791 -0.101 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.034 0.586 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.227 -0.292 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.127 -0.351 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.264 1.287 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.509 0.307 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.776 -2.319 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.442 -1.719 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.835 -2.194 -2.174 1.00 0.00 H new ATOM 725 N VAL A 47 -2.192 2.944 -1.578 1.00 0.00 N ATOM 726 CA VAL A 47 -1.854 4.363 -1.690 1.00 0.00 C ATOM 727 C VAL A 47 -1.349 4.873 -0.343 1.00 0.00 C ATOM 728 O VAL A 47 -1.877 4.453 0.686 1.00 0.00 O ATOM 729 CB VAL A 47 -3.081 5.205 -2.085 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.637 6.492 -2.792 1.00 0.00 C ATOM 731 CG2 VAL A 47 -4.073 4.468 -2.989 1.00 0.00 C ATOM 0 H VAL A 47 -2.846 2.749 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.089 4.461 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.596 5.428 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.514 7.078 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.005 7.076 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.075 6.238 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.910 5.126 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.574 4.172 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.443 3.580 -2.476 1.00 0.00 H new ATOM 741 N ALA A 48 -0.350 5.768 -0.349 1.00 0.00 N ATOM 742 CA ALA A 48 0.256 6.239 0.893 1.00 0.00 C ATOM 743 C ALA A 48 0.868 7.624 0.716 1.00 0.00 C ATOM 744 O ALA A 48 1.607 7.822 -0.245 1.00 0.00 O ATOM 745 CB ALA A 48 1.358 5.253 1.268 1.00 0.00 C ATOM 0 H ALA A 48 0.049 6.174 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.507 6.304 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.834 5.575 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.927 4.261 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.101 5.218 0.471 1.00 0.00 H new ATOM 751 N CYS A 49 0.597 8.549 1.646 1.00 0.00 N ATOM 752 CA CYS A 49 1.172 9.895 1.681 1.00 0.00 C ATOM 753 C CYS A 49 2.326 10.100 2.654 1.00 0.00 C ATOM 754 O CYS A 49 2.719 9.184 3.365 1.00 0.00 O ATOM 755 CB CYS A 49 0.086 10.965 1.825 1.00 0.00 C ATOM 756 SG CYS A 49 0.358 12.347 0.679 1.00 0.00 S ATOM 0 H CYS A 49 -0.048 8.374 2.417 1.00 0.00 H new ATOM 0 HA CYS A 49 1.645 10.013 0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.891 10.521 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.074 11.337 2.849 1.00 0.00 H new ATOM 761 N GLY A 50 2.872 11.321 2.668 1.00 0.00 N ATOM 762 CA GLY A 50 3.953 11.734 3.542 1.00 0.00 C ATOM 763 C GLY A 50 5.286 11.654 2.805 1.00 0.00 C ATOM 764 O GLY A 50 5.320 11.694 1.579 1.00 0.00 O ATOM 0 H GLY A 50 2.557 12.066 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.781 12.753 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.979 11.097 4.426 1.00 0.00 H new ATOM 768 N GLU A 51 6.378 11.551 3.565 1.00 0.00 N ATOM 769 CA GLU A 51 7.741 11.481 3.053 1.00 0.00 C ATOM 770 C GLU A 51 8.005 10.087 2.491 1.00 0.00 C ATOM 771 O GLU A 51 7.896 9.116 3.232 1.00 0.00 O ATOM 772 CB GLU A 51 8.704 11.756 4.214 1.00 0.00 C ATOM 773 CG GLU A 51 8.804 13.243 4.568 1.00 0.00 C ATOM 774 CD GLU A 51 9.986 13.916 3.875 1.00 0.00 C ATOM 775 OE1 GLU A 51 11.121 13.440 4.100 1.00 0.00 O ATOM 776 OE2 GLU A 51 9.737 14.898 3.145 1.00 0.00 O ATOM 0 H GLU A 51 6.333 11.513 4.583 1.00 0.00 H new ATOM 0 HA GLU A 51 7.884 12.216 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.374 11.200 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.694 11.383 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.881 13.747 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.906 13.353 5.648 1.00 0.00 H new ATOM 783 N GLU A 52 8.383 9.994 1.208 1.00 0.00 N ATOM 784 CA GLU A 52 8.636 8.735 0.509 1.00 0.00 C ATOM 785 C GLU A 52 9.492 7.795 1.361 1.00 0.00 C ATOM 786 O GLU A 52 9.101 6.658 1.598 1.00 0.00 O ATOM 787 CB GLU A 52 9.296 9.000 -0.858 1.00 0.00 C ATOM 788 CG GLU A 52 8.538 8.287 -1.986 1.00 0.00 C ATOM 789 CD GLU A 52 9.169 8.536 -3.355 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.536 9.703 -3.614 1.00 0.00 O ATOM 791 OE2 GLU A 52 9.260 7.556 -4.126 1.00 0.00 O ATOM 0 H GLU A 52 8.523 10.814 0.618 1.00 0.00 H new ATOM 0 HA GLU A 52 7.679 8.243 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.319 10.072 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.331 8.658 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.518 7.216 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.503 8.628 -1.998 1.00 0.00 H new ATOM 798 N GLY A 53 10.629 8.301 1.854 1.00 0.00 N ATOM 799 CA GLY A 53 11.553 7.602 2.724 1.00 0.00 C ATOM 800 C GLY A 53 10.877 6.993 3.953 1.00 0.00 C ATOM 801 O GLY A 53 11.113 5.828 4.272 1.00 0.00 O ATOM 0 H GLY A 53 10.934 9.251 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.047 6.811 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.330 8.294 3.050 1.00 0.00 H new ATOM 805 N GLN A 54 10.034 7.774 4.644 1.00 0.00 N ATOM 806 CA GLN A 54 9.312 7.304 5.813 1.00 0.00 C ATOM 807 C GLN A 54 8.322 6.213 5.420 1.00 0.00 C ATOM 808 O GLN A 54 8.280 5.161 6.045 1.00 0.00 O ATOM 809 CB GLN A 54 8.586 8.444 6.539 1.00 0.00 C ATOM 810 CG GLN A 54 9.412 9.001 7.710 1.00 0.00 C ATOM 811 CD GLN A 54 8.552 9.829 8.664 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.640 11.054 8.684 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.727 9.152 9.469 1.00 0.00 N ATOM 0 H GLN A 54 9.841 8.746 4.401 1.00 0.00 H new ATOM 0 HA GLN A 54 10.046 6.892 6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.373 9.246 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.627 8.084 6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.871 8.177 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.223 9.618 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.686 8.134 9.418 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.138 9.653 10.134 1.00 0.00 H new ATOM 822 N VAL A 55 7.542 6.454 4.366 1.00 0.00 N ATOM 823 CA VAL A 55 6.614 5.469 3.833 1.00 0.00 C ATOM 824 C VAL A 55 7.354 4.181 3.439 1.00 0.00 C ATOM 825 O VAL A 55 6.815 3.089 3.604 1.00 0.00 O ATOM 826 CB VAL A 55 5.821 6.091 2.671 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.805 5.104 2.088 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.078 7.351 3.134 1.00 0.00 C ATOM 0 H VAL A 55 7.539 7.340 3.861 1.00 0.00 H new ATOM 0 HA VAL A 55 5.896 5.180 4.600 1.00 0.00 H new ATOM 0 HB VAL A 55 6.544 6.351 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.264 5.579 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.327 4.223 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.100 4.807 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.524 7.775 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.385 7.091 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.797 8.083 3.501 1.00 0.00 H new ATOM 838 N GLU A 56 8.605 4.288 2.976 1.00 0.00 N ATOM 839 CA GLU A 56 9.414 3.155 2.551 1.00 0.00 C ATOM 840 C GLU A 56 9.697 2.163 3.686 1.00 0.00 C ATOM 841 O GLU A 56 9.776 0.959 3.436 1.00 0.00 O ATOM 842 CB GLU A 56 10.698 3.643 1.861 1.00 0.00 C ATOM 843 CG GLU A 56 10.895 2.972 0.495 1.00 0.00 C ATOM 844 CD GLU A 56 11.968 3.669 -0.340 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.824 4.352 0.264 1.00 0.00 O ATOM 846 OE2 GLU A 56 11.911 3.501 -1.578 1.00 0.00 O ATOM 0 H GLU A 56 9.086 5.183 2.887 1.00 0.00 H new ATOM 0 HA GLU A 56 8.833 2.592 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.654 4.725 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.557 3.432 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.172 1.928 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.951 2.978 -0.051 1.00 0.00 H new ATOM 853 N LYS A 57 9.812 2.650 4.930 1.00 0.00 N ATOM 854 CA LYS A 57 10.024 1.821 6.117 1.00 0.00 C ATOM 855 C LYS A 57 8.934 0.758 6.291 1.00 0.00 C ATOM 856 O LYS A 57 9.212 -0.277 6.891 1.00 0.00 O ATOM 857 CB LYS A 57 10.079 2.697 7.372 1.00 0.00 C ATOM 858 CG LYS A 57 11.367 3.534 7.446 1.00 0.00 C ATOM 859 CD LYS A 57 11.161 4.937 8.040 1.00 0.00 C ATOM 860 CE LYS A 57 11.361 5.057 9.553 1.00 0.00 C ATOM 861 NZ LYS A 57 10.274 4.419 10.313 1.00 0.00 N ATOM 0 H LYS A 57 9.759 3.647 5.139 1.00 0.00 H new ATOM 0 HA LYS A 57 10.974 1.306 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.215 3.362 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.009 2.064 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.103 2.999 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.784 3.631 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.848 5.624 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.151 5.268 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.311 4.600 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.423 6.110 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.636 4.099 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.506 5.104 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.911 3.602 9.781 1.00 0.00 H new ATOM 875 N LEU A 58 7.713 1.002 5.792 1.00 0.00 N ATOM 876 CA LEU A 58 6.648 0.003 5.783 1.00 0.00 C ATOM 877 C LEU A 58 6.577 -0.720 4.439 1.00 0.00 C ATOM 878 O LEU A 58 6.215 -1.895 4.398 1.00 0.00 O ATOM 879 CB LEU A 58 5.309 0.623 6.201 1.00 0.00 C ATOM 880 CG LEU A 58 4.448 1.237 5.089 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.398 0.237 4.589 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.722 2.472 5.617 1.00 0.00 C ATOM 0 H LEU A 58 7.442 1.897 5.385 1.00 0.00 H new ATOM 0 HA LEU A 58 6.883 -0.758 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.720 -0.147 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.511 1.398 6.940 1.00 0.00 H new ATOM 0 HG LEU A 58 5.110 1.506 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.802 0.698 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.897 -0.648 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.747 -0.051 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.113 2.903 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.082 2.188 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.453 3.208 5.953 1.00 0.00 H new ATOM 894 N MET A 59 6.934 -0.034 3.343 1.00 0.00 N ATOM 895 CA MET A 59 6.907 -0.619 2.011 1.00 0.00 C ATOM 896 C MET A 59 7.881 -1.778 1.866 1.00 0.00 C ATOM 897 O MET A 59 7.669 -2.620 0.996 1.00 0.00 O ATOM 898 CB MET A 59 7.142 0.413 0.911 1.00 0.00 C ATOM 899 CG MET A 59 6.147 1.581 0.926 1.00 0.00 C ATOM 900 SD MET A 59 5.029 1.659 -0.499 1.00 0.00 S ATOM 901 CE MET A 59 6.230 2.010 -1.810 1.00 0.00 C ATOM 0 H MET A 59 7.247 0.937 3.363 1.00 0.00 H new ATOM 0 HA MET A 59 5.898 -1.011 1.887 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.153 0.809 1.009 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.087 -0.085 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.548 1.516 1.834 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.707 2.514 0.980 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.704 2.335 -2.708 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.908 2.798 -1.481 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.802 1.109 -2.031 1.00 0.00 H new ATOM 911 N GLN A 60 8.919 -1.845 2.709 1.00 0.00 N ATOM 912 CA GLN A 60 9.828 -2.976 2.752 1.00 0.00 C ATOM 913 C GLN A 60 9.043 -4.289 2.700 1.00 0.00 C ATOM 914 O GLN A 60 9.246 -5.094 1.802 1.00 0.00 O ATOM 915 CB GLN A 60 10.774 -2.846 3.957 1.00 0.00 C ATOM 916 CG GLN A 60 10.111 -2.722 5.341 1.00 0.00 C ATOM 917 CD GLN A 60 9.920 -4.039 6.092 1.00 0.00 C ATOM 918 OE1 GLN A 60 10.259 -5.114 5.602 1.00 0.00 O ATOM 919 NE2 GLN A 60 9.364 -3.951 7.302 1.00 0.00 N ATOM 0 H GLN A 60 9.145 -1.110 3.379 1.00 0.00 H new ATOM 0 HA GLN A 60 10.469 -2.983 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.431 -3.716 3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.406 -1.971 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.715 -2.056 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.137 -2.248 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.096 -3.040 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.207 -4.794 7.854 1.00 0.00 H new ATOM 928 N TRP A 61 8.105 -4.471 3.636 1.00 0.00 N ATOM 929 CA TRP A 61 7.297 -5.670 3.725 1.00 0.00 C ATOM 930 C TRP A 61 6.433 -5.875 2.459 1.00 0.00 C ATOM 931 O TRP A 61 6.310 -7.006 1.981 1.00 0.00 O ATOM 932 CB TRP A 61 6.468 -5.611 5.005 1.00 0.00 C ATOM 933 CG TRP A 61 5.141 -6.274 4.926 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.897 -7.599 4.874 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.856 -5.620 4.819 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.543 -7.817 4.722 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.855 -6.623 4.698 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.449 -4.274 4.804 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.501 -6.300 4.591 1.00 0.00 C ATOM 940 CZ3 TRP A 61 2.087 -3.937 4.733 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.119 -4.951 4.647 1.00 0.00 C ATOM 0 H TRP A 61 7.891 -3.779 4.354 1.00 0.00 H new ATOM 0 HA TRP A 61 7.946 -6.545 3.774 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.039 -6.071 5.811 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.319 -4.566 5.276 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.648 -8.373 4.941 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.110 -8.737 4.639 1.00 0.00 H new ATOM 0 HE3 TRP A 61 4.191 -3.491 4.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.760 -7.076 4.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.785 -2.900 4.745 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.071 -4.690 4.624 1.00 0.00 H new ATOM 952 N LEU A 62 5.830 -4.794 1.931 1.00 0.00 N ATOM 953 CA LEU A 62 4.982 -4.836 0.737 1.00 0.00 C ATOM 954 C LEU A 62 5.774 -5.422 -0.440 1.00 0.00 C ATOM 955 O LEU A 62 5.344 -6.402 -1.046 1.00 0.00 O ATOM 956 CB LEU A 62 4.411 -3.440 0.389 1.00 0.00 C ATOM 957 CG LEU A 62 3.210 -2.969 1.244 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.131 -1.439 1.345 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.858 -3.405 0.667 1.00 0.00 C ATOM 0 H LEU A 62 5.922 -3.860 2.329 1.00 0.00 H new ATOM 0 HA LEU A 62 4.128 -5.481 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.212 -2.707 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.108 -3.443 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 62 3.387 -3.429 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.272 -1.158 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.043 -1.057 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.022 -1.014 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.055 -3.045 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.737 -2.987 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.819 -4.493 0.613 1.00 0.00 H new ATOM 1101 N VAL A 72 3.674 -12.590 -5.614 1.00 0.00 N ATOM 1102 CA VAL A 72 3.968 -11.255 -6.118 1.00 0.00 C ATOM 1103 C VAL A 72 4.433 -11.381 -7.572 1.00 0.00 C ATOM 1104 O VAL A 72 5.633 -11.392 -7.843 1.00 0.00 O ATOM 1105 CB VAL A 72 5.020 -10.579 -5.216 1.00 0.00 C ATOM 1106 CG1 VAL A 72 5.333 -9.145 -5.667 1.00 0.00 C ATOM 1107 CG2 VAL A 72 4.539 -10.497 -3.763 1.00 0.00 C ATOM 0 HA VAL A 72 3.081 -10.622 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 72 5.914 -11.198 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.079 -8.709 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.720 -9.160 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.423 -8.546 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.303 -10.015 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.618 -9.915 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.353 -11.502 -3.384 1.00 0.00 H new ATOM 1117 N GLU A 73 3.480 -11.490 -8.508 1.00 0.00 N ATOM 1118 CA GLU A 73 3.766 -11.557 -9.936 1.00 0.00 C ATOM 1119 C GLU A 73 4.557 -10.333 -10.397 1.00 0.00 C ATOM 1120 O GLU A 73 5.591 -10.475 -11.045 1.00 0.00 O ATOM 1121 CB GLU A 73 2.471 -11.736 -10.749 1.00 0.00 C ATOM 1122 CG GLU A 73 2.652 -12.723 -11.910 1.00 0.00 C ATOM 1123 CD GLU A 73 1.365 -12.915 -12.713 1.00 0.00 C ATOM 1124 OE1 GLU A 73 0.579 -11.945 -12.787 1.00 0.00 O ATOM 1125 OE2 GLU A 73 1.193 -14.033 -13.244 1.00 0.00 O ATOM 0 H GLU A 73 2.485 -11.534 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 73 4.389 -12.433 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.677 -12.091 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.153 -10.770 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.440 -12.362 -12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.980 -13.686 -11.518 1.00 0.00 H new ATOM 1132 N ARG A 74 4.068 -9.134 -10.055 1.00 0.00 N ATOM 1133 CA ARG A 74 4.681 -7.874 -10.455 1.00 0.00 C ATOM 1134 C ARG A 74 4.040 -6.723 -9.681 1.00 0.00 C ATOM 1135 O ARG A 74 2.907 -6.848 -9.231 1.00 0.00 O ATOM 1136 CB ARG A 74 4.515 -7.690 -11.976 1.00 0.00 C ATOM 1137 CG ARG A 74 5.863 -7.671 -12.710 1.00 0.00 C ATOM 1138 CD ARG A 74 6.358 -6.239 -12.952 1.00 0.00 C ATOM 1139 NE ARG A 74 5.485 -5.511 -13.886 1.00 0.00 N ATOM 1140 CZ ARG A 74 5.373 -5.761 -15.203 1.00 0.00 C ATOM 1141 NH1 ARG A 74 6.136 -6.691 -15.798 1.00 0.00 N ATOM 1142 NH2 ARG A 74 4.484 -5.075 -15.933 1.00 0.00 N ATOM 0 H ARG A 74 3.228 -9.017 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 74 5.746 -7.883 -10.224 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.899 -8.497 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.984 -6.758 -12.171 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.603 -8.218 -12.126 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.765 -8.188 -13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.402 -5.704 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.373 -6.267 -13.349 1.00 0.00 H new ATOM 0 HE ARG A 74 4.918 -4.754 -13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.814 -7.221 -15.250 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.038 -6.868 -16.798 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.897 -4.368 -15.490 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.394 -5.259 -16.932 1.00 0.00 H new ATOM 1156 N VAL A 75 4.778 -5.623 -9.486 1.00 0.00 N ATOM 1157 CA VAL A 75 4.300 -4.463 -8.738 1.00 0.00 C ATOM 1158 C VAL A 75 4.799 -3.181 -9.408 1.00 0.00 C ATOM 1159 O VAL A 75 5.976 -3.110 -9.762 1.00 0.00 O ATOM 1160 CB VAL A 75 4.780 -4.537 -7.274 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.136 -3.424 -6.430 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.433 -5.884 -6.626 1.00 0.00 C ATOM 0 H VAL A 75 5.726 -5.516 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 75 3.210 -4.458 -8.737 1.00 0.00 H new ATOM 0 HB VAL A 75 5.863 -4.417 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.490 -3.497 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.410 -2.452 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.052 -3.534 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.789 -5.894 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.352 -6.026 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.911 -6.690 -7.183 1.00 0.00 H new ATOM 1172 N LEU A 76 3.925 -2.179 -9.576 1.00 0.00 N ATOM 1173 CA LEU A 76 4.262 -0.893 -10.193 1.00 0.00 C ATOM 1174 C LEU A 76 4.011 0.260 -9.223 1.00 0.00 C ATOM 1175 O LEU A 76 3.206 0.101 -8.313 1.00 0.00 O ATOM 1176 CB LEU A 76 3.407 -0.703 -11.456 1.00 0.00 C ATOM 1177 CG LEU A 76 4.223 -0.187 -12.652 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.220 -1.239 -13.162 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.256 0.159 -13.788 1.00 0.00 C ATOM 0 H LEU A 76 2.950 -2.242 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 76 5.320 -0.894 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.942 -1.652 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.601 -0.002 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 76 4.788 0.687 -12.327 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.776 -0.834 -14.007 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.914 -1.500 -12.363 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.678 -2.131 -13.478 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.819 0.527 -14.646 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.699 -0.732 -14.075 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.561 0.929 -13.453 1.00 0.00 H new ATOM 1191 N SER A 77 4.698 1.397 -9.422 1.00 0.00 N ATOM 1192 CA SER A 77 4.602 2.571 -8.552 1.00 0.00 C ATOM 1193 C SER A 77 4.554 3.863 -9.380 1.00 0.00 C ATOM 1194 O SER A 77 5.430 4.061 -10.219 1.00 0.00 O ATOM 1195 CB SER A 77 5.810 2.622 -7.598 1.00 0.00 C ATOM 1196 OG SER A 77 6.632 1.473 -7.694 1.00 0.00 O ATOM 0 H SER A 77 5.342 1.524 -10.202 1.00 0.00 H new ATOM 0 HA SER A 77 3.681 2.489 -7.974 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.405 3.508 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.454 2.724 -6.573 1.00 0.00 H new ATOM 0 HG SER A 77 7.384 1.556 -7.071 1.00 0.00 H new ATOM 1202 N GLU A 78 3.581 4.749 -9.120 1.00 0.00 N ATOM 1203 CA GLU A 78 3.372 5.998 -9.865 1.00 0.00 C ATOM 1204 C GLU A 78 3.173 7.171 -8.888 1.00 0.00 C ATOM 1205 O GLU A 78 2.738 6.948 -7.759 1.00 0.00 O ATOM 1206 CB GLU A 78 2.156 5.842 -10.804 1.00 0.00 C ATOM 1207 CG GLU A 78 2.508 5.683 -12.293 1.00 0.00 C ATOM 1208 CD GLU A 78 3.474 4.534 -12.568 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.108 3.386 -12.230 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.557 4.826 -13.121 1.00 0.00 O ATOM 0 H GLU A 78 2.903 4.614 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 78 4.252 6.213 -10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.579 4.974 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.511 6.713 -10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.591 5.521 -12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.947 6.612 -12.656 1.00 0.00 H new ATOM 1217 N PRO A 79 3.470 8.417 -9.299 1.00 0.00 N ATOM 1218 CA PRO A 79 3.343 9.619 -8.479 1.00 0.00 C ATOM 1219 C PRO A 79 1.869 9.973 -8.244 1.00 0.00 C ATOM 1220 O PRO A 79 1.116 10.111 -9.207 1.00 0.00 O ATOM 1221 CB PRO A 79 4.073 10.716 -9.262 1.00 0.00 C ATOM 1222 CG PRO A 79 3.913 10.280 -10.717 1.00 0.00 C ATOM 1223 CD PRO A 79 3.982 8.760 -10.617 1.00 0.00 C ATOM 0 HA PRO A 79 3.773 9.486 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.631 11.697 -9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.123 10.783 -8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.966 10.616 -11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.705 10.681 -11.350 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.387 8.291 -11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.006 8.408 -10.741 1.00 0.00 H new ATOM 1231 N HIS A 80 1.459 10.121 -6.974 1.00 0.00 N ATOM 1232 CA HIS A 80 0.081 10.423 -6.597 1.00 0.00 C ATOM 1233 C HIS A 80 -0.006 11.783 -5.886 1.00 0.00 C ATOM 1234 O HIS A 80 0.728 12.039 -4.937 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.443 9.279 -5.715 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.935 9.097 -5.741 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.603 8.648 -6.868 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.854 9.238 -4.733 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.893 8.527 -6.517 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.088 8.878 -5.234 1.00 0.00 N ATOM 0 H HIS A 80 2.087 10.032 -6.176 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.544 10.499 -7.487 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.028 8.349 -6.033 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.131 9.459 -4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.648 9.571 -3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.675 8.190 -7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.975 8.878 -4.730 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.883 12.678 -6.353 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.018 14.011 -5.769 1.00 0.00 C ATOM 1251 C HIS A 81 -2.499 14.356 -5.553 1.00 0.00 C ATOM 1252 O HIS A 81 -3.039 15.201 -6.265 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.302 14.998 -6.698 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.249 16.416 -6.186 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.261 16.758 -4.942 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.629 17.573 -6.816 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.173 18.096 -4.855 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.355 18.628 -5.968 1.00 0.00 N ATOM 0 H HIS A 81 -1.511 12.500 -7.137 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.556 14.061 -4.783 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.717 14.647 -6.864 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.802 14.994 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.065 17.646 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.488 18.671 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.521 19.617 -6.152 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.173 13.706 -4.590 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.586 13.898 -4.315 1.00 0.00 C ATOM 1269 C PRO A 82 -4.819 15.289 -3.722 1.00 0.00 C ATOM 1270 O PRO A 82 -4.052 15.741 -2.872 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.967 12.783 -3.334 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.660 12.512 -2.591 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.605 12.737 -3.675 1.00 0.00 C ATOM 0 HA PRO A 82 -5.200 13.845 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.759 13.098 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.327 11.895 -3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.525 13.190 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.623 11.498 -2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.675 13.106 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.370 11.805 -4.190 1.00 0.00 H new ATOM 1281 N SER A 83 -5.873 15.970 -4.191 1.00 0.00 N ATOM 1282 CA SER A 83 -6.252 17.295 -3.720 1.00 0.00 C ATOM 1283 C SER A 83 -6.597 17.272 -2.228 1.00 0.00 C ATOM 1284 O SER A 83 -7.158 16.297 -1.729 1.00 0.00 O ATOM 1285 CB SER A 83 -7.425 17.832 -4.548 1.00 0.00 C ATOM 1286 OG SER A 83 -8.522 16.942 -4.516 1.00 0.00 O ATOM 0 H SER A 83 -6.490 15.606 -4.917 1.00 0.00 H new ATOM 0 HA SER A 83 -5.401 17.964 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.731 18.805 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.106 17.984 -5.579 1.00 0.00 H new ATOM 0 HG SER A 83 -9.257 17.309 -5.050 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.237 18.352 -1.523 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.391 18.473 -0.082 1.00 0.00 C ATOM 1294 C GLY A 84 -5.466 17.523 0.677 1.00 0.00 C ATOM 1295 O GLY A 84 -4.819 16.655 0.092 1.00 0.00 O ATOM 0 H GLY A 84 -5.823 19.178 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.182 19.499 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.426 18.265 0.190 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.411 17.703 1.999 1.00 0.00 N ATOM 1300 CA GLU A 85 -4.642 16.844 2.887 1.00 0.00 C ATOM 1301 C GLU A 85 -5.523 15.676 3.336 1.00 0.00 C ATOM 1302 O GLU A 85 -6.692 15.867 3.669 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.066 17.661 4.053 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.102 18.035 5.121 1.00 0.00 C ATOM 1305 CD GLU A 85 -4.534 19.061 6.096 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -3.700 18.652 6.932 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -4.933 20.240 5.977 1.00 0.00 O ATOM 0 H GLU A 85 -5.904 18.455 2.481 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.783 16.421 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.264 17.091 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.619 18.574 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.994 18.438 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.408 17.141 5.665 1.00 0.00 H new ATOM 1314 N LEU A 86 -4.967 14.461 3.324 1.00 0.00 N ATOM 1315 CA LEU A 86 -5.654 13.262 3.787 1.00 0.00 C ATOM 1316 C LEU A 86 -5.724 13.266 5.319 1.00 0.00 C ATOM 1317 O LEU A 86 -4.840 13.809 5.981 1.00 0.00 O ATOM 1318 CB LEU A 86 -4.917 12.017 3.263 1.00 0.00 C ATOM 1319 CG LEU A 86 -5.688 11.176 2.233 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.168 11.975 1.016 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -4.776 10.055 1.725 1.00 0.00 C ATOM 0 H LEU A 86 -4.020 14.285 2.989 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.674 13.244 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.976 12.335 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.667 11.380 4.112 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.572 10.797 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.703 11.314 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.833 12.773 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.309 12.407 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.314 9.452 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.892 10.489 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.473 9.425 2.562 1.00 0.00 H new ATOM 1333 N THR A 87 -6.776 12.649 5.871 1.00 0.00 N ATOM 1334 CA THR A 87 -6.992 12.518 7.304 1.00 0.00 C ATOM 1335 C THR A 87 -6.162 11.343 7.817 1.00 0.00 C ATOM 1336 O THR A 87 -5.112 11.555 8.420 1.00 0.00 O ATOM 1337 CB THR A 87 -8.497 12.350 7.601 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.183 11.839 6.471 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.122 13.683 8.025 1.00 0.00 C ATOM 0 H THR A 87 -7.514 12.219 5.314 1.00 0.00 H new ATOM 0 HA THR A 87 -6.668 13.419 7.826 1.00 0.00 H new ATOM 0 HB THR A 87 -8.593 11.639 8.421 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.135 11.739 6.683 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.183 13.539 8.229 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.626 14.048 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.002 14.412 7.224 1.00 0.00 H new ATOM 1347 N ASP A 88 -6.644 10.115 7.589 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.038 8.899 8.118 1.00 0.00 C ATOM 1349 C ASP A 88 -6.146 7.752 7.112 1.00 0.00 C ATOM 1350 O ASP A 88 -6.918 7.825 6.154 1.00 0.00 O ATOM 1351 CB ASP A 88 -6.667 8.546 9.475 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.992 7.799 9.354 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -8.922 8.373 8.746 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.047 6.666 9.878 1.00 0.00 O ATOM 0 H ASP A 88 -7.476 9.942 7.025 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.974 9.072 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.966 7.936 10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.826 9.463 10.043 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.363 6.690 7.338 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.383 5.499 6.502 1.00 0.00 C ATOM 1361 C PHE A 89 -6.681 4.718 6.719 1.00 0.00 C ATOM 1362 O PHE A 89 -7.194 4.665 7.835 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.144 4.638 6.772 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.140 3.290 6.076 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.594 3.149 4.785 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.745 2.185 6.702 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.647 1.907 4.129 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.850 0.964 6.019 1.00 0.00 C ATOM 1369 CZ PHE A 89 -4.302 0.823 4.736 1.00 0.00 C ATOM 0 H PHE A 89 -4.698 6.639 8.110 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.352 5.797 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.259 5.193 6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.059 4.476 7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.134 3.996 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.128 2.276 7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.185 1.787 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.355 0.130 6.483 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.384 -0.119 4.215 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.200 4.101 5.651 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.422 3.305 5.680 1.00 0.00 C ATOM 1381 C ARG A 90 -8.247 2.031 4.857 1.00 0.00 C ATOM 1382 O ARG A 90 -7.179 1.777 4.310 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.619 4.152 5.222 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.449 4.707 3.801 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.476 5.797 3.493 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.274 6.941 4.393 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.180 7.887 4.679 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.362 7.920 4.048 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -10.892 8.804 5.613 1.00 0.00 N ATOM 0 H ARG A 90 -6.770 4.145 4.727 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.629 2.991 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.524 3.546 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.758 4.981 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.443 5.112 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.551 3.897 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.380 6.117 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.485 5.403 3.612 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.361 7.023 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.582 7.219 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.042 8.646 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.994 8.776 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.571 9.530 5.841 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.299 1.213 4.787 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.273 -0.062 4.095 1.00 0.00 C ATOM 1405 C ILE A 91 -10.615 -0.278 3.404 1.00 0.00 C ATOM 1406 O ILE A 91 -11.631 0.266 3.836 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.923 -1.175 5.098 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.620 -2.484 4.361 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -10.017 -1.380 6.157 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -7.942 -3.478 5.295 1.00 0.00 C ATOM 0 H ILE A 91 -10.199 1.426 5.216 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.505 -0.078 3.321 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.028 -0.856 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.544 -2.912 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.977 -2.285 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.719 -2.177 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.158 -0.456 6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.951 -1.653 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.734 -4.402 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.007 -3.054 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.599 -3.691 6.138 1.00 0.00 H new