USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=14 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= 0.383 K(o=0.38,f=-0.84) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -122:sc= 0.304 USER MOD Single : A 23 THR OG1 : rot -97:sc= 0.674 USER MOD Single : A 24 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.2) 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 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.728 K(o=-0.73,f=-3.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= -0.243 (180deg=-1.32) USER MOD Single : A 59 MET CE :methyl -174:sc= 0 (180deg=-0.0225) USER MOD Single : A 60 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-0.025) USER MOD Single : A 81 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=-0.24) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.634 19.733 0.161 1.00 0.00 N ATOM 21 CA SER A 2 6.428 18.799 0.957 1.00 0.00 C ATOM 22 C SER A 2 5.870 17.369 0.847 1.00 0.00 C ATOM 23 O SER A 2 6.609 16.447 0.507 1.00 0.00 O ATOM 24 CB SER A 2 6.524 19.262 2.427 1.00 0.00 C ATOM 25 OG SER A 2 7.736 18.829 3.008 1.00 0.00 O ATOM 0 HA SER A 2 7.441 18.787 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.459 20.349 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.681 18.866 2.994 1.00 0.00 H new ATOM 0 HG SER A 2 7.780 19.133 3.939 1.00 0.00 H new ATOM 31 N LYS A 3 4.572 17.180 1.129 1.00 0.00 N ATOM 32 CA LYS A 3 3.885 15.887 1.070 1.00 0.00 C ATOM 33 C LYS A 3 3.868 15.304 -0.354 1.00 0.00 C ATOM 34 O LYS A 3 3.562 16.023 -1.304 1.00 0.00 O ATOM 35 CB LYS A 3 2.437 16.059 1.560 1.00 0.00 C ATOM 36 CG LYS A 3 2.180 15.553 2.984 1.00 0.00 C ATOM 37 CD LYS A 3 3.070 16.204 4.049 1.00 0.00 C ATOM 38 CE LYS A 3 2.530 15.850 5.441 1.00 0.00 C ATOM 39 NZ LYS A 3 3.485 16.197 6.508 1.00 0.00 N ATOM 0 H LYS A 3 3.958 17.944 1.411 1.00 0.00 H new ATOM 0 HA LYS A 3 4.431 15.193 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.174 17.116 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.771 15.533 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.136 15.733 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.333 14.474 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.097 15.855 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.086 17.286 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.591 16.376 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.310 14.783 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.081 15.942 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.373 15.676 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.676 17.219 6.484 1.00 0.00 H new ATOM 53 N VAL A 4 4.175 14.003 -0.481 1.00 0.00 N ATOM 54 CA VAL A 4 4.333 13.310 -1.754 1.00 0.00 C ATOM 55 C VAL A 4 3.708 11.923 -1.646 1.00 0.00 C ATOM 56 O VAL A 4 4.353 10.969 -1.216 1.00 0.00 O ATOM 57 CB VAL A 4 5.822 13.266 -2.175 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.826 12.873 -1.085 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.014 12.357 -3.402 1.00 0.00 C ATOM 0 H VAL A 4 4.322 13.395 0.325 1.00 0.00 H new ATOM 0 HA VAL A 4 3.812 13.853 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 4 6.053 14.305 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.834 12.878 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.769 13.587 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.590 11.875 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.068 12.340 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.687 11.346 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.424 12.740 -4.235 1.00 0.00 H new ATOM 69 N CYS A 5 2.438 11.814 -2.030 1.00 0.00 N ATOM 70 CA CYS A 5 1.736 10.540 -1.998 1.00 0.00 C ATOM 71 C CYS A 5 1.974 9.766 -3.294 1.00 0.00 C ATOM 72 O CYS A 5 2.339 10.354 -4.311 1.00 0.00 O ATOM 73 CB CYS A 5 0.243 10.735 -1.699 1.00 0.00 C ATOM 74 SG CYS A 5 -0.207 12.077 -0.554 1.00 0.00 S ATOM 0 H CYS A 5 1.876 12.596 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 5 2.140 9.941 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.271 10.911 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.145 9.801 -1.294 1.00 0.00 H new ATOM 79 N ILE A 6 1.822 8.438 -3.247 1.00 0.00 N ATOM 80 CA ILE A 6 2.054 7.593 -4.418 1.00 0.00 C ATOM 81 C ILE A 6 1.002 6.484 -4.482 1.00 0.00 C ATOM 82 O ILE A 6 0.419 6.157 -3.451 1.00 0.00 O ATOM 83 CB ILE A 6 3.504 7.073 -4.422 1.00 0.00 C ATOM 84 CG1 ILE A 6 3.835 6.156 -3.243 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.522 8.222 -4.482 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.492 4.719 -3.620 1.00 0.00 C ATOM 0 H ILE A 6 1.539 7.928 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 6 1.939 8.178 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 6 3.581 6.473 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.892 6.236 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.271 6.459 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.532 7.813 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.364 8.801 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.393 8.868 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.725 4.058 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.430 4.648 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.076 4.422 -4.491 1.00 0.00 H new ATOM 98 N ILE A 7 0.778 5.902 -5.671 1.00 0.00 N ATOM 99 CA ILE A 7 -0.143 4.779 -5.877 1.00 0.00 C ATOM 100 C ILE A 7 0.633 3.571 -6.411 1.00 0.00 C ATOM 101 O ILE A 7 1.102 3.589 -7.547 1.00 0.00 O ATOM 102 CB ILE A 7 -1.357 5.178 -6.748 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.297 3.970 -6.945 1.00 0.00 C ATOM 104 CG2 ILE A 7 -1.000 5.779 -8.118 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.773 4.374 -7.020 1.00 0.00 C ATOM 0 H ILE A 7 1.240 6.205 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.576 4.488 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.855 5.972 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.021 3.446 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.158 3.269 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.915 6.027 -8.656 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.406 6.682 -7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.425 5.054 -8.695 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.387 3.484 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.061 4.873 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.922 5.053 -7.860 1.00 0.00 H new ATOM 117 N ALA A 8 0.781 2.533 -5.575 1.00 0.00 N ATOM 118 CA ALA A 8 1.489 1.307 -5.908 1.00 0.00 C ATOM 119 C ALA A 8 0.490 0.194 -6.240 1.00 0.00 C ATOM 120 O ALA A 8 -0.320 -0.171 -5.392 1.00 0.00 O ATOM 121 CB ALA A 8 2.407 0.899 -4.753 1.00 0.00 C ATOM 0 H ALA A 8 0.400 2.531 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 8 2.108 1.479 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.932 -0.020 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.132 1.691 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.811 0.735 -3.855 1.00 0.00 H new ATOM 127 N TRP A 9 0.554 -0.346 -7.464 1.00 0.00 N ATOM 128 CA TRP A 9 -0.326 -1.414 -7.934 1.00 0.00 C ATOM 129 C TRP A 9 0.357 -2.768 -7.794 1.00 0.00 C ATOM 130 O TRP A 9 1.315 -3.037 -8.517 1.00 0.00 O ATOM 131 CB TRP A 9 -0.682 -1.196 -9.405 1.00 0.00 C ATOM 132 CG TRP A 9 -1.540 -0.007 -9.673 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.870 0.058 -9.474 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.156 1.283 -10.214 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.341 1.308 -9.822 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.320 2.101 -10.308 1.00 0.00 C ATOM 137 CE3 TRP A 9 0.060 1.835 -10.657 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.275 3.410 -10.809 1.00 0.00 C ATOM 139 CZ3 TRP A 9 0.105 3.124 -11.207 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.051 3.921 -11.272 1.00 0.00 C ATOM 0 H TRP A 9 1.232 -0.045 -8.164 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.231 -1.397 -7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.241 -1.096 -9.976 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.192 -2.085 -9.776 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.479 -0.750 -9.097 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.312 1.606 -9.732 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.970 1.259 -10.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.168 4.016 -10.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.040 3.510 -11.586 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.999 4.921 -11.676 1.00 0.00 H new ATOM 151 N VAL A 10 -0.151 -3.617 -6.895 1.00 0.00 N ATOM 152 CA VAL A 10 0.417 -4.926 -6.601 1.00 0.00 C ATOM 153 C VAL A 10 -0.252 -5.976 -7.499 1.00 0.00 C ATOM 154 O VAL A 10 -1.474 -6.111 -7.483 1.00 0.00 O ATOM 155 CB VAL A 10 0.242 -5.266 -5.106 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.175 -6.424 -4.738 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.566 -4.108 -4.147 1.00 0.00 C ATOM 0 H VAL A 10 -0.983 -3.405 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 10 1.487 -4.919 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.813 -5.512 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.054 -6.667 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.927 -7.297 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.208 -6.133 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.416 -4.435 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.603 -3.802 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.092 -3.265 -4.359 1.00 0.00 H new ATOM 167 N TYR A 11 0.555 -6.719 -8.270 1.00 0.00 N ATOM 168 CA TYR A 11 0.124 -7.801 -9.153 1.00 0.00 C ATOM 169 C TYR A 11 0.214 -9.157 -8.451 1.00 0.00 C ATOM 170 O TYR A 11 0.699 -9.257 -7.324 1.00 0.00 O ATOM 171 CB TYR A 11 0.921 -7.806 -10.466 1.00 0.00 C ATOM 172 CG TYR A 11 0.672 -6.611 -11.363 1.00 0.00 C ATOM 173 CD1 TYR A 11 1.311 -5.385 -11.105 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.157 -6.742 -12.492 1.00 0.00 C ATOM 175 CE1 TYR A 11 1.127 -4.298 -11.975 1.00 0.00 C ATOM 176 CE2 TYR A 11 -0.324 -5.662 -13.375 1.00 0.00 C ATOM 177 CZ TYR A 11 0.322 -4.441 -13.120 1.00 0.00 C ATOM 178 OH TYR A 11 0.170 -3.398 -13.985 1.00 0.00 O ATOM 0 H TYR A 11 1.564 -6.573 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.922 -7.622 -9.403 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.984 -7.850 -10.230 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.679 -8.714 -11.018 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.944 -5.279 -10.236 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.667 -7.675 -12.681 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.604 -3.352 -11.765 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.949 -5.771 -14.249 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.417 -3.667 -14.722 1.00 0.00 H new ATOM 188 N GLY A 12 -0.258 -10.206 -9.135 1.00 0.00 N ATOM 189 CA GLY A 12 -0.274 -11.557 -8.611 1.00 0.00 C ATOM 190 C GLY A 12 -1.372 -11.748 -7.575 1.00 0.00 C ATOM 191 O GLY A 12 -2.301 -10.952 -7.483 1.00 0.00 O ATOM 0 H GLY A 12 -0.641 -10.129 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.419 -12.263 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.693 -11.784 -8.162 1.00 0.00 H new ATOM 195 N ARG A 13 -1.255 -12.827 -6.800 1.00 0.00 N ATOM 196 CA ARG A 13 -2.271 -13.252 -5.852 1.00 0.00 C ATOM 197 C ARG A 13 -2.111 -12.549 -4.508 1.00 0.00 C ATOM 198 O ARG A 13 -1.386 -13.027 -3.639 1.00 0.00 O ATOM 199 CB ARG A 13 -2.238 -14.765 -5.658 1.00 0.00 C ATOM 200 CG ARG A 13 -2.227 -15.502 -6.999 1.00 0.00 C ATOM 201 CD ARG A 13 -2.786 -16.914 -6.846 1.00 0.00 C ATOM 202 NE ARG A 13 -2.664 -17.635 -8.117 1.00 0.00 N ATOM 203 CZ ARG A 13 -3.313 -18.763 -8.439 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.132 -19.362 -7.563 1.00 0.00 N ATOM 205 NH2 ARG A 13 -3.135 -19.291 -9.657 1.00 0.00 N ATOM 0 H ARG A 13 -0.437 -13.436 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.239 -12.973 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.354 -15.040 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.106 -15.077 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.819 -14.949 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.209 -15.549 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.247 -17.446 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.831 -16.870 -6.541 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.031 -17.245 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.269 -18.960 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.618 -20.220 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.513 -18.835 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.622 -20.149 -9.917 1.00 0.00 H new ATOM 219 N VAL A 14 -2.800 -11.418 -4.360 1.00 0.00 N ATOM 220 CA VAL A 14 -2.716 -10.555 -3.187 1.00 0.00 C ATOM 221 C VAL A 14 -4.112 -10.366 -2.581 1.00 0.00 C ATOM 222 O VAL A 14 -4.275 -10.442 -1.363 1.00 0.00 O ATOM 223 CB VAL A 14 -2.076 -9.217 -3.592 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.746 -8.359 -2.362 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.761 -9.446 -4.344 1.00 0.00 C ATOM 0 H VAL A 14 -3.446 -11.070 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.088 -11.012 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.802 -8.708 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.295 -7.420 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.661 -8.151 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.047 -8.896 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.327 -8.485 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.065 -9.988 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.954 -10.029 -5.245 1.00 0.00 H new ATOM 235 N GLN A 15 -5.118 -10.121 -3.435 1.00 0.00 N ATOM 236 CA GLN A 15 -6.502 -9.953 -3.013 1.00 0.00 C ATOM 237 C GLN A 15 -7.083 -11.295 -2.563 1.00 0.00 C ATOM 238 O GLN A 15 -6.770 -12.335 -3.139 1.00 0.00 O ATOM 239 CB GLN A 15 -7.347 -9.303 -4.117 1.00 0.00 C ATOM 240 CG GLN A 15 -7.576 -10.136 -5.379 1.00 0.00 C ATOM 241 CD GLN A 15 -8.603 -9.449 -6.275 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.633 -10.031 -6.603 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.342 -8.197 -6.658 1.00 0.00 N ATOM 0 H GLN A 15 -4.985 -10.035 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.526 -9.274 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.319 -9.046 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.868 -8.368 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.637 -10.262 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.925 -11.133 -5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.476 -7.745 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.009 -7.693 -7.242 1.00 0.00 H new ATOM 252 N GLY A 16 -7.923 -11.262 -1.524 1.00 0.00 N ATOM 253 CA GLY A 16 -8.587 -12.443 -0.997 1.00 0.00 C ATOM 254 C GLY A 16 -7.649 -13.368 -0.217 1.00 0.00 C ATOM 255 O GLY A 16 -7.993 -14.529 -0.002 1.00 0.00 O ATOM 0 H GLY A 16 -8.159 -10.404 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.404 -12.132 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.032 -13.000 -1.822 1.00 0.00 H new ATOM 259 N VAL A 17 -6.483 -12.864 0.216 1.00 0.00 N ATOM 260 CA VAL A 17 -5.512 -13.605 1.015 1.00 0.00 C ATOM 261 C VAL A 17 -5.502 -13.064 2.446 1.00 0.00 C ATOM 262 O VAL A 17 -5.464 -13.842 3.397 1.00 0.00 O ATOM 263 CB VAL A 17 -4.121 -13.532 0.365 1.00 0.00 C ATOM 264 CG1 VAL A 17 -3.085 -14.260 1.232 1.00 0.00 C ATOM 265 CG2 VAL A 17 -4.138 -14.175 -1.030 1.00 0.00 C ATOM 0 H VAL A 17 -6.189 -11.909 0.013 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.797 -14.656 1.055 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.851 -12.480 0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.106 -14.199 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.041 -13.793 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.371 -15.306 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.143 -14.112 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.432 -15.221 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.851 -13.648 -1.665 1.00 0.00 H new ATOM 275 N GLY A 18 -5.531 -11.733 2.586 1.00 0.00 N ATOM 276 CA GLY A 18 -5.487 -11.025 3.850 1.00 0.00 C ATOM 277 C GLY A 18 -4.237 -10.161 3.967 1.00 0.00 C ATOM 278 O GLY A 18 -3.808 -9.866 5.080 1.00 0.00 O ATOM 0 H GLY A 18 -5.588 -11.105 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.373 -10.398 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.512 -11.742 4.670 1.00 0.00 H new ATOM 282 N PHE A 19 -3.666 -9.738 2.830 1.00 0.00 N ATOM 283 CA PHE A 19 -2.506 -8.858 2.782 1.00 0.00 C ATOM 284 C PHE A 19 -2.721 -7.614 3.650 1.00 0.00 C ATOM 285 O PHE A 19 -1.793 -7.129 4.284 1.00 0.00 O ATOM 286 CB PHE A 19 -2.220 -8.475 1.322 1.00 0.00 C ATOM 287 CG PHE A 19 -0.742 -8.401 1.003 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.026 -9.571 0.682 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.067 -7.173 1.088 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.340 -9.495 0.358 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.321 -7.128 0.896 1.00 0.00 C ATOM 292 CZ PHE A 19 2.012 -8.264 0.453 1.00 0.00 C ATOM 0 H PHE A 19 -4.008 -10.006 1.907 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.642 -9.385 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.691 -9.204 0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.680 -7.510 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.527 -10.528 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.615 -6.267 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.871 -10.379 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.861 -6.213 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.056 -8.194 0.186 1.00 0.00 H new ATOM 302 N ARG A 20 -3.959 -7.118 3.706 1.00 0.00 N ATOM 303 CA ARG A 20 -4.361 -5.950 4.473 1.00 0.00 C ATOM 304 C ARG A 20 -4.440 -6.267 5.977 1.00 0.00 C ATOM 305 O ARG A 20 -5.497 -6.117 6.587 1.00 0.00 O ATOM 306 CB ARG A 20 -5.725 -5.498 3.937 1.00 0.00 C ATOM 307 CG ARG A 20 -5.693 -5.057 2.464 1.00 0.00 C ATOM 308 CD ARG A 20 -6.958 -5.509 1.720 1.00 0.00 C ATOM 309 NE ARG A 20 -8.171 -5.148 2.463 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.436 -5.331 2.050 1.00 0.00 C ATOM 311 NH1 ARG A 20 -9.699 -5.862 0.850 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.444 -4.979 2.857 1.00 0.00 N ATOM 0 H ARG A 20 -4.735 -7.540 3.196 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.623 -5.156 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.438 -6.315 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.090 -4.672 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.604 -3.972 2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.812 -5.475 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.984 -5.051 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.928 -6.588 1.570 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.041 -4.718 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.933 -6.134 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.665 -5.994 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.247 -4.577 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.409 -5.113 2.555 1.00 0.00 H new ATOM 326 N TYR A 21 -3.316 -6.688 6.571 1.00 0.00 N ATOM 327 CA TYR A 21 -3.184 -7.030 7.981 1.00 0.00 C ATOM 328 C TYR A 21 -2.242 -6.027 8.645 1.00 0.00 C ATOM 329 O TYR A 21 -2.689 -5.160 9.394 1.00 0.00 O ATOM 330 CB TYR A 21 -2.698 -8.483 8.124 1.00 0.00 C ATOM 331 CG TYR A 21 -2.967 -9.120 9.476 1.00 0.00 C ATOM 332 CD1 TYR A 21 -2.359 -8.623 10.646 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.825 -10.234 9.561 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.640 -9.208 11.892 1.00 0.00 C ATOM 335 CE2 TYR A 21 -4.089 -10.833 10.805 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.502 -10.316 11.973 1.00 0.00 C ATOM 337 OH TYR A 21 -3.765 -10.887 13.183 1.00 0.00 O ATOM 0 H TYR A 21 -2.443 -6.802 6.056 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.148 -6.969 8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.176 -9.087 7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.625 -8.512 7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.675 -7.790 10.585 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.282 -10.630 8.666 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.193 -8.806 12.789 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.743 -11.691 10.863 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.380 -11.641 13.062 1.00 0.00 H new ATOM 347 N THR A 22 -0.936 -6.143 8.365 1.00 0.00 N ATOM 348 CA THR A 22 0.076 -5.285 8.963 1.00 0.00 C ATOM 349 C THR A 22 0.034 -3.879 8.364 1.00 0.00 C ATOM 350 O THR A 22 0.524 -2.951 9.003 1.00 0.00 O ATOM 351 CB THR A 22 1.472 -5.925 8.878 1.00 0.00 C ATOM 352 OG1 THR A 22 2.365 -5.221 9.715 1.00 0.00 O ATOM 353 CG2 THR A 22 2.027 -5.946 7.454 1.00 0.00 C ATOM 0 H THR A 22 -0.560 -6.836 7.718 1.00 0.00 H new ATOM 0 HA THR A 22 -0.152 -5.179 10.023 1.00 0.00 H new ATOM 0 HB THR A 22 1.371 -6.960 9.204 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.113 -4.880 9.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.014 -6.409 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.358 -6.519 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.105 -4.926 7.079 1.00 0.00 H new ATOM 361 N THR A 23 -0.562 -3.714 7.170 1.00 0.00 N ATOM 362 CA THR A 23 -0.702 -2.424 6.500 1.00 0.00 C ATOM 363 C THR A 23 -1.179 -1.320 7.460 1.00 0.00 C ATOM 364 O THR A 23 -0.711 -0.188 7.370 1.00 0.00 O ATOM 365 CB THR A 23 -1.612 -2.572 5.266 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.497 -1.426 4.451 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.087 -2.801 5.606 1.00 0.00 C ATOM 0 H THR A 23 -0.963 -4.489 6.642 1.00 0.00 H new ATOM 0 HA THR A 23 0.281 -2.104 6.156 1.00 0.00 H new ATOM 0 HB THR A 23 -1.270 -3.464 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.236 -0.812 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.662 -2.895 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.188 -3.715 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.463 -1.956 6.184 1.00 0.00 H new ATOM 375 N GLN A 24 -2.073 -1.664 8.400 1.00 0.00 N ATOM 376 CA GLN A 24 -2.568 -0.767 9.436 1.00 0.00 C ATOM 377 C GLN A 24 -1.457 -0.465 10.451 1.00 0.00 C ATOM 378 O GLN A 24 -1.111 0.696 10.652 1.00 0.00 O ATOM 379 CB GLN A 24 -3.784 -1.394 10.134 1.00 0.00 C ATOM 380 CG GLN A 24 -4.970 -1.625 9.178 1.00 0.00 C ATOM 381 CD GLN A 24 -6.103 -0.616 9.305 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.344 -0.043 10.365 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.845 -0.435 8.215 1.00 0.00 N ATOM 0 H GLN A 24 -2.477 -2.599 8.455 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.877 0.172 8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.491 -2.345 10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.103 -0.746 10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.600 -1.607 8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.371 -2.623 9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.614 -0.929 7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.645 0.197 8.242 1.00 0.00 H new ATOM 392 N TYR A 25 -0.920 -1.507 11.103 1.00 0.00 N ATOM 393 CA TYR A 25 0.084 -1.395 12.162 1.00 0.00 C ATOM 394 C TYR A 25 1.275 -0.545 11.713 1.00 0.00 C ATOM 395 O TYR A 25 1.643 0.420 12.377 1.00 0.00 O ATOM 396 CB TYR A 25 0.555 -2.798 12.590 1.00 0.00 C ATOM 397 CG TYR A 25 0.675 -2.975 14.092 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.826 -2.538 14.777 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.377 -3.578 14.807 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.933 -2.731 16.166 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.268 -3.772 16.194 1.00 0.00 C ATOM 402 CZ TYR A 25 0.889 -3.353 16.875 1.00 0.00 C ATOM 403 OH TYR A 25 1.000 -3.551 18.220 1.00 0.00 O ATOM 0 H TYR A 25 -1.181 -2.472 10.901 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.375 -0.896 13.015 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.143 -3.539 12.201 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.523 -3.001 12.132 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.626 -2.055 14.236 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.270 -3.892 14.288 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.818 -2.401 16.689 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.073 -4.243 16.738 1.00 0.00 H new ATOM 0 HH TYR A 25 0.191 -3.992 18.554 1.00 0.00 H new ATOM 413 N GLU A 26 1.866 -0.923 10.577 1.00 0.00 N ATOM 414 CA GLU A 26 2.998 -0.244 9.969 1.00 0.00 C ATOM 415 C GLU A 26 2.668 1.228 9.738 1.00 0.00 C ATOM 416 O GLU A 26 3.408 2.107 10.179 1.00 0.00 O ATOM 417 CB GLU A 26 3.370 -0.970 8.666 1.00 0.00 C ATOM 418 CG GLU A 26 4.787 -1.569 8.701 1.00 0.00 C ATOM 419 CD GLU A 26 4.857 -2.873 7.909 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.865 -2.788 6.663 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.885 -3.938 8.566 1.00 0.00 O ATOM 0 H GLU A 26 1.556 -1.735 10.044 1.00 0.00 H new ATOM 0 HA GLU A 26 3.861 -0.273 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.649 -1.766 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.296 -0.272 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.498 -0.852 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.081 -1.752 9.734 1.00 0.00 H new ATOM 428 N ALA A 27 1.535 1.488 9.076 1.00 0.00 N ATOM 429 CA ALA A 27 1.058 2.837 8.814 1.00 0.00 C ATOM 430 C ALA A 27 0.930 3.669 10.092 1.00 0.00 C ATOM 431 O ALA A 27 1.123 4.881 10.058 1.00 0.00 O ATOM 432 CB ALA A 27 -0.287 2.770 8.082 1.00 0.00 C ATOM 0 H ALA A 27 0.924 0.759 8.707 1.00 0.00 H new ATOM 0 HA ALA A 27 1.797 3.336 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.645 3.781 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.162 2.239 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.012 2.242 8.701 1.00 0.00 H new ATOM 438 N LYS A 28 0.616 3.012 11.215 1.00 0.00 N ATOM 439 CA LYS A 28 0.474 3.632 12.524 1.00 0.00 C ATOM 440 C LYS A 28 1.805 4.206 13.024 1.00 0.00 C ATOM 441 O LYS A 28 1.810 5.238 13.694 1.00 0.00 O ATOM 442 CB LYS A 28 -0.107 2.602 13.510 1.00 0.00 C ATOM 443 CG LYS A 28 -1.169 3.213 14.427 1.00 0.00 C ATOM 444 CD LYS A 28 -1.844 2.101 15.239 1.00 0.00 C ATOM 445 CE LYS A 28 -2.768 2.695 16.306 1.00 0.00 C ATOM 446 NZ LYS A 28 -3.173 1.682 17.295 1.00 0.00 N ATOM 0 H LYS A 28 0.450 2.006 11.231 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.214 4.474 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.544 1.774 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.699 2.187 14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.711 3.941 15.097 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.912 3.748 13.835 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.417 1.455 14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.085 1.478 15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.260 3.516 16.812 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.654 3.114 15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.798 2.118 18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.679 0.911 16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.328 1.301 17.767 1.00 0.00 H new ATOM 460 N ARG A 29 2.930 3.553 12.700 1.00 0.00 N ATOM 461 CA ARG A 29 4.263 3.986 13.103 1.00 0.00 C ATOM 462 C ARG A 29 4.654 5.262 12.360 1.00 0.00 C ATOM 463 O ARG A 29 5.115 6.220 12.976 1.00 0.00 O ATOM 464 CB ARG A 29 5.281 2.877 12.814 1.00 0.00 C ATOM 465 CG ARG A 29 4.984 1.591 13.601 1.00 0.00 C ATOM 466 CD ARG A 29 5.638 0.373 12.932 1.00 0.00 C ATOM 467 NE ARG A 29 6.418 -0.441 13.871 1.00 0.00 N ATOM 468 CZ ARG A 29 7.589 -0.082 14.422 1.00 0.00 C ATOM 469 NH1 ARG A 29 8.148 1.101 14.133 1.00 0.00 N ATOM 470 NH2 ARG A 29 8.200 -0.917 15.271 1.00 0.00 N ATOM 0 H ARG A 29 2.933 2.698 12.143 1.00 0.00 H new ATOM 0 HA ARG A 29 4.256 4.194 14.173 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.280 2.655 11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.281 3.231 13.065 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.353 1.692 14.622 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.906 1.440 13.665 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.864 -0.246 12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.288 0.713 12.126 1.00 0.00 H new ATOM 0 HE ARG A 29 6.040 -1.354 14.126 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.684 1.740 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.038 1.362 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.776 -1.817 15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.090 -0.653 15.694 1.00 0.00 H new ATOM 484 N LEU A 30 4.478 5.268 11.034 1.00 0.00 N ATOM 485 CA LEU A 30 4.817 6.411 10.195 1.00 0.00 C ATOM 486 C LEU A 30 3.836 7.561 10.423 1.00 0.00 C ATOM 487 O LEU A 30 4.220 8.726 10.336 1.00 0.00 O ATOM 488 CB LEU A 30 4.797 5.997 8.723 1.00 0.00 C ATOM 489 CG LEU A 30 5.653 4.764 8.413 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.397 4.350 6.968 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.137 5.050 8.612 1.00 0.00 C ATOM 0 H LEU A 30 4.096 4.477 10.516 1.00 0.00 H new ATOM 0 HA LEU A 30 5.817 6.752 10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.768 5.796 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.147 6.832 8.116 1.00 0.00 H new ATOM 0 HG LEU A 30 5.378 3.962 9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.998 3.473 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.341 4.112 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.668 5.169 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.714 4.154 8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.444 5.858 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.316 5.342 9.647 1.00 0.00 H new ATOM 503 N GLY A 31 2.569 7.226 10.689 1.00 0.00 N ATOM 504 CA GLY A 31 1.492 8.182 10.881 1.00 0.00 C ATOM 505 C GLY A 31 0.935 8.715 9.561 1.00 0.00 C ATOM 506 O GLY A 31 0.209 9.707 9.561 1.00 0.00 O ATOM 0 H GLY A 31 2.265 6.257 10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.688 7.709 11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.855 9.016 11.481 1.00 0.00 H new ATOM 510 N LEU A 32 1.266 8.063 8.439 1.00 0.00 N ATOM 511 CA LEU A 32 0.775 8.433 7.119 1.00 0.00 C ATOM 512 C LEU A 32 -0.687 8.025 6.937 1.00 0.00 C ATOM 513 O LEU A 32 -1.290 7.427 7.829 1.00 0.00 O ATOM 514 CB LEU A 32 1.680 7.841 6.030 1.00 0.00 C ATOM 515 CG LEU A 32 1.346 6.417 5.545 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.477 5.955 4.647 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.189 5.392 6.661 1.00 0.00 C ATOM 0 H LEU A 32 1.890 7.256 8.430 1.00 0.00 H new ATOM 0 HA LEU A 32 0.810 9.518 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.655 8.508 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.704 7.841 6.403 1.00 0.00 H new ATOM 0 HG LEU A 32 0.384 6.477 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.268 4.947 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.567 6.632 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.411 5.953 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.955 4.418 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.118 5.325 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.381 5.698 7.326 1.00 0.00 H new ATOM 529 N THR A 33 -1.252 8.352 5.772 1.00 0.00 N ATOM 530 CA THR A 33 -2.651 8.095 5.469 1.00 0.00 C ATOM 531 C THR A 33 -2.710 7.260 4.194 1.00 0.00 C ATOM 532 O THR A 33 -1.667 6.900 3.657 1.00 0.00 O ATOM 533 CB THR A 33 -3.387 9.435 5.316 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.977 10.110 4.146 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.175 10.342 6.533 1.00 0.00 C ATOM 0 H THR A 33 -0.744 8.805 5.012 1.00 0.00 H new ATOM 0 HA THR A 33 -3.141 7.542 6.271 1.00 0.00 H new ATOM 0 HB THR A 33 -4.449 9.203 5.240 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.461 10.959 4.071 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.711 11.279 6.386 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.551 9.845 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.111 10.548 6.653 1.00 0.00 H new ATOM 543 N GLY A 34 -3.912 6.996 3.676 1.00 0.00 N ATOM 544 CA GLY A 34 -4.097 6.385 2.371 1.00 0.00 C ATOM 545 C GLY A 34 -5.168 5.319 2.429 1.00 0.00 C ATOM 546 O GLY A 34 -6.096 5.407 3.228 1.00 0.00 O ATOM 0 H GLY A 34 -4.786 7.204 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.374 7.147 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.158 5.947 2.032 1.00 0.00 H new ATOM 550 N TYR A 35 -5.016 4.302 1.581 1.00 0.00 N ATOM 551 CA TYR A 35 -5.865 3.121 1.633 1.00 0.00 C ATOM 552 C TYR A 35 -5.339 1.992 0.754 1.00 0.00 C ATOM 553 O TYR A 35 -4.503 2.229 -0.114 1.00 0.00 O ATOM 554 CB TYR A 35 -7.305 3.455 1.218 1.00 0.00 C ATOM 555 CG TYR A 35 -7.449 3.867 -0.233 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.579 2.885 -1.233 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.375 5.225 -0.594 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.612 3.259 -2.585 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.463 5.601 -1.946 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.580 4.616 -2.941 1.00 0.00 C ATOM 561 OH TYR A 35 -7.660 4.975 -4.255 1.00 0.00 O ATOM 0 H TYR A 35 -4.308 4.277 0.848 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.854 2.782 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.936 2.586 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.677 4.260 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.653 1.843 -0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.250 5.980 0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.662 2.501 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.441 6.646 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.625 5.951 -4.330 1.00 0.00 H new ATOM 571 N ALA A 36 -5.879 0.781 0.958 1.00 0.00 N ATOM 572 CA ALA A 36 -5.569 -0.390 0.142 1.00 0.00 C ATOM 573 C ALA A 36 -6.834 -1.034 -0.446 1.00 0.00 C ATOM 574 O ALA A 36 -7.528 -1.759 0.265 1.00 0.00 O ATOM 575 CB ALA A 36 -4.776 -1.387 0.987 1.00 0.00 C ATOM 0 H ALA A 36 -6.549 0.591 1.703 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.965 -0.075 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.539 -2.265 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.852 -0.921 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.371 -1.687 1.850 1.00 0.00 H new ATOM 581 N LYS A 37 -7.126 -0.784 -1.733 1.00 0.00 N ATOM 582 CA LYS A 37 -8.243 -1.393 -2.464 1.00 0.00 C ATOM 583 C LYS A 37 -7.775 -2.583 -3.298 1.00 0.00 C ATOM 584 O LYS A 37 -6.581 -2.865 -3.361 1.00 0.00 O ATOM 585 CB LYS A 37 -8.945 -0.363 -3.373 1.00 0.00 C ATOM 586 CG LYS A 37 -10.176 0.224 -2.675 1.00 0.00 C ATOM 587 CD LYS A 37 -11.155 0.921 -3.630 1.00 0.00 C ATOM 588 CE LYS A 37 -12.040 -0.092 -4.376 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.146 0.569 -5.090 1.00 0.00 N ATOM 0 H LYS A 37 -6.579 -0.139 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.958 -1.747 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.250 0.437 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.243 -0.838 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.701 -0.575 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.848 0.939 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.785 1.609 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.597 1.518 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.432 -0.652 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.445 -0.813 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.720 -0.147 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.741 1.083 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.759 1.238 -5.786 1.00 0.00 H new ATOM 603 N ASN A 38 -8.735 -3.275 -3.931 1.00 0.00 N ATOM 604 CA ASN A 38 -8.500 -4.422 -4.798 1.00 0.00 C ATOM 605 C ASN A 38 -9.110 -4.166 -6.183 1.00 0.00 C ATOM 606 O ASN A 38 -10.228 -3.661 -6.283 1.00 0.00 O ATOM 607 CB ASN A 38 -9.054 -5.699 -4.151 1.00 0.00 C ATOM 608 CG ASN A 38 -8.512 -6.018 -2.759 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.703 -5.302 -2.176 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.967 -7.141 -2.209 1.00 0.00 N ATOM 0 H ASN A 38 -9.723 -3.038 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.428 -4.564 -4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.139 -5.613 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.838 -6.542 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.644 -7.423 -1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.639 -7.720 -2.713 1.00 0.00 H new ATOM 617 N LEU A 39 -8.366 -4.511 -7.244 1.00 0.00 N ATOM 618 CA LEU A 39 -8.787 -4.424 -8.639 1.00 0.00 C ATOM 619 C LEU A 39 -9.783 -5.541 -8.955 1.00 0.00 C ATOM 620 O LEU A 39 -10.026 -6.427 -8.137 1.00 0.00 O ATOM 621 CB LEU A 39 -7.567 -4.521 -9.587 1.00 0.00 C ATOM 622 CG LEU A 39 -6.790 -3.208 -9.814 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.562 -3.399 -10.720 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.666 -2.150 -10.496 1.00 0.00 C ATOM 0 H LEU A 39 -7.417 -4.872 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.269 -3.459 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.878 -5.265 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.910 -4.891 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.480 -2.888 -8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.052 -2.444 -10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.881 -4.117 -10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.882 -3.771 -11.693 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.088 -1.237 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.002 -2.524 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.532 -1.935 -9.869 1.00 0.00 H new ATOM 636 N ASP A 40 -10.344 -5.499 -10.167 1.00 0.00 N ATOM 637 CA ASP A 40 -11.288 -6.490 -10.666 1.00 0.00 C ATOM 638 C ASP A 40 -10.597 -7.540 -11.545 1.00 0.00 C ATOM 639 O ASP A 40 -11.287 -8.296 -12.229 1.00 0.00 O ATOM 640 CB ASP A 40 -12.410 -5.769 -11.427 1.00 0.00 C ATOM 641 CG ASP A 40 -13.172 -4.787 -10.537 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.597 -5.217 -9.444 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.317 -3.623 -10.969 1.00 0.00 O ATOM 0 H ASP A 40 -10.147 -4.757 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.716 -7.031 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.985 -5.233 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.105 -6.506 -11.831 1.00 0.00 H new ATOM 648 N ASP A 41 -9.255 -7.601 -11.524 1.00 0.00 N ATOM 649 CA ASP A 41 -8.466 -8.534 -12.325 1.00 0.00 C ATOM 650 C ASP A 41 -7.645 -9.498 -11.461 1.00 0.00 C ATOM 651 O ASP A 41 -7.103 -10.467 -11.989 1.00 0.00 O ATOM 652 CB ASP A 41 -7.566 -7.743 -13.287 1.00 0.00 C ATOM 653 CG ASP A 41 -7.281 -8.525 -14.569 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.245 -8.715 -15.341 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.107 -8.906 -14.761 1.00 0.00 O ATOM 0 H ASP A 41 -8.685 -6.991 -10.938 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.154 -9.154 -12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.045 -6.796 -13.537 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.626 -7.503 -12.791 1.00 0.00 H new ATOM 660 N GLY A 42 -7.559 -9.244 -10.146 1.00 0.00 N ATOM 661 CA GLY A 42 -6.860 -10.073 -9.179 1.00 0.00 C ATOM 662 C GLY A 42 -5.705 -9.366 -8.472 1.00 0.00 C ATOM 663 O GLY A 42 -4.831 -10.033 -7.928 1.00 0.00 O ATOM 0 H GLY A 42 -7.993 -8.424 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.573 -10.419 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.475 -10.958 -9.686 1.00 0.00 H new ATOM 667 N SER A 43 -5.701 -8.032 -8.482 1.00 0.00 N ATOM 668 CA SER A 43 -4.605 -7.181 -8.017 1.00 0.00 C ATOM 669 C SER A 43 -5.038 -6.294 -6.840 1.00 0.00 C ATOM 670 O SER A 43 -6.229 -6.208 -6.554 1.00 0.00 O ATOM 671 CB SER A 43 -4.152 -6.332 -9.207 1.00 0.00 C ATOM 672 OG SER A 43 -3.379 -7.105 -10.089 1.00 0.00 O ATOM 0 H SER A 43 -6.494 -7.493 -8.829 1.00 0.00 H new ATOM 0 HA SER A 43 -3.784 -7.796 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.021 -5.932 -9.729 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.571 -5.480 -8.855 1.00 0.00 H new ATOM 0 HG SER A 43 -3.096 -6.552 -10.847 1.00 0.00 H new ATOM 678 N VAL A 44 -4.074 -5.676 -6.135 1.00 0.00 N ATOM 679 CA VAL A 44 -4.323 -4.868 -4.937 1.00 0.00 C ATOM 680 C VAL A 44 -3.639 -3.502 -5.057 1.00 0.00 C ATOM 681 O VAL A 44 -2.416 -3.452 -5.148 1.00 0.00 O ATOM 682 CB VAL A 44 -3.858 -5.647 -3.690 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.974 -4.829 -2.396 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.750 -6.884 -3.517 1.00 0.00 C ATOM 0 H VAL A 44 -3.087 -5.727 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.391 -4.676 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.810 -5.901 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.632 -5.430 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.359 -3.933 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.014 -4.542 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.430 -7.443 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.786 -6.571 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.668 -7.518 -4.400 1.00 0.00 H new ATOM 694 N GLU A 45 -4.400 -2.398 -5.045 1.00 0.00 N ATOM 695 CA GLU A 45 -3.861 -1.043 -5.152 1.00 0.00 C ATOM 696 C GLU A 45 -3.659 -0.436 -3.767 1.00 0.00 C ATOM 697 O GLU A 45 -4.612 -0.383 -2.995 1.00 0.00 O ATOM 698 CB GLU A 45 -4.817 -0.120 -5.918 1.00 0.00 C ATOM 699 CG GLU A 45 -5.382 -0.731 -7.201 1.00 0.00 C ATOM 700 CD GLU A 45 -6.853 -1.079 -7.020 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.114 -1.977 -6.194 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.686 -0.436 -7.695 1.00 0.00 O ATOM 0 H GLU A 45 -5.416 -2.426 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.913 -1.123 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.645 0.152 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.292 0.802 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.267 -0.029 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.819 -1.627 -7.463 1.00 0.00 H new ATOM 709 N VAL A 46 -2.450 0.054 -3.469 1.00 0.00 N ATOM 710 CA VAL A 46 -2.111 0.643 -2.177 1.00 0.00 C ATOM 711 C VAL A 46 -1.664 2.091 -2.379 1.00 0.00 C ATOM 712 O VAL A 46 -0.859 2.356 -3.267 1.00 0.00 O ATOM 713 CB VAL A 46 -0.999 -0.192 -1.527 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.611 0.360 -0.149 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.459 -1.646 -1.346 1.00 0.00 C ATOM 0 H VAL A 46 -1.673 0.051 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.980 0.643 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.136 -0.144 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.179 -0.256 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.255 1.385 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.481 0.344 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.660 -2.226 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.342 -1.671 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.702 -2.074 -2.318 1.00 0.00 H new ATOM 725 N VAL A 47 -2.170 3.019 -1.560 1.00 0.00 N ATOM 726 CA VAL A 47 -1.873 4.447 -1.646 1.00 0.00 C ATOM 727 C VAL A 47 -1.379 4.948 -0.290 1.00 0.00 C ATOM 728 O VAL A 47 -1.881 4.487 0.734 1.00 0.00 O ATOM 729 CB VAL A 47 -3.128 5.241 -2.043 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.746 6.611 -2.617 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.997 4.509 -3.072 1.00 0.00 C ATOM 0 H VAL A 47 -2.812 2.789 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.105 4.594 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.708 5.358 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.650 7.155 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.194 7.178 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.123 6.474 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.868 5.119 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.417 4.331 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.325 3.555 -2.658 1.00 0.00 H new ATOM 741 N ALA A 48 -0.403 5.867 -0.288 1.00 0.00 N ATOM 742 CA ALA A 48 0.238 6.304 0.951 1.00 0.00 C ATOM 743 C ALA A 48 0.865 7.687 0.788 1.00 0.00 C ATOM 744 O ALA A 48 1.551 7.911 -0.205 1.00 0.00 O ATOM 745 CB ALA A 48 1.334 5.294 1.278 1.00 0.00 C ATOM 0 H ALA A 48 -0.044 6.318 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.504 6.363 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.836 5.588 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.892 4.306 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.058 5.266 0.463 1.00 0.00 H new ATOM 751 N CYS A 49 0.655 8.582 1.763 1.00 0.00 N ATOM 752 CA CYS A 49 1.152 9.960 1.766 1.00 0.00 C ATOM 753 C CYS A 49 2.411 10.129 2.617 1.00 0.00 C ATOM 754 O CYS A 49 2.899 9.177 3.219 1.00 0.00 O ATOM 755 CB CYS A 49 0.011 10.875 2.227 1.00 0.00 C ATOM 756 SG CYS A 49 -1.247 11.173 0.957 1.00 0.00 S ATOM 0 H CYS A 49 0.116 8.356 2.599 1.00 0.00 H new ATOM 0 HA CYS A 49 1.459 10.235 0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.466 10.432 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.429 11.831 2.542 1.00 0.00 H new ATOM 761 N GLY A 50 2.947 11.356 2.645 1.00 0.00 N ATOM 762 CA GLY A 50 4.136 11.716 3.405 1.00 0.00 C ATOM 763 C GLY A 50 5.372 11.694 2.510 1.00 0.00 C ATOM 764 O GLY A 50 5.263 11.910 1.308 1.00 0.00 O ATOM 0 H GLY A 50 2.552 12.140 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.011 12.709 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.268 11.021 4.234 1.00 0.00 H new ATOM 768 N GLU A 51 6.546 11.454 3.106 1.00 0.00 N ATOM 769 CA GLU A 51 7.831 11.388 2.419 1.00 0.00 C ATOM 770 C GLU A 51 8.028 9.990 1.836 1.00 0.00 C ATOM 771 O GLU A 51 7.944 9.018 2.579 1.00 0.00 O ATOM 772 CB GLU A 51 8.944 11.680 3.431 1.00 0.00 C ATOM 773 CG GLU A 51 9.011 13.166 3.797 1.00 0.00 C ATOM 774 CD GLU A 51 9.615 13.383 5.183 1.00 0.00 C ATOM 775 OE1 GLU A 51 10.507 12.589 5.556 1.00 0.00 O ATOM 776 OE2 GLU A 51 9.165 14.340 5.849 1.00 0.00 O ATOM 0 H GLU A 51 6.625 11.296 4.111 1.00 0.00 H new ATOM 0 HA GLU A 51 7.859 12.120 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.777 11.092 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.902 11.365 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.606 13.697 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.009 13.593 3.767 1.00 0.00 H new ATOM 783 N GLU A 52 8.320 9.890 0.531 1.00 0.00 N ATOM 784 CA GLU A 52 8.497 8.629 -0.189 1.00 0.00 C ATOM 785 C GLU A 52 9.396 7.657 0.589 1.00 0.00 C ATOM 786 O GLU A 52 9.017 6.515 0.838 1.00 0.00 O ATOM 787 CB GLU A 52 9.059 8.902 -1.596 1.00 0.00 C ATOM 788 CG GLU A 52 8.208 8.217 -2.673 1.00 0.00 C ATOM 789 CD GLU A 52 8.710 8.553 -4.074 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.807 8.059 -4.418 1.00 0.00 O ATOM 791 OE2 GLU A 52 7.994 9.302 -4.773 1.00 0.00 O ATOM 0 H GLU A 52 8.442 10.709 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 52 7.522 8.151 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.086 9.976 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.086 8.543 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.231 7.137 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.169 8.530 -2.572 1.00 0.00 H new ATOM 798 N GLY A 53 10.573 8.143 1.001 1.00 0.00 N ATOM 799 CA GLY A 53 11.535 7.426 1.814 1.00 0.00 C ATOM 800 C GLY A 53 10.919 6.832 3.085 1.00 0.00 C ATOM 801 O GLY A 53 11.182 5.678 3.416 1.00 0.00 O ATOM 0 H GLY A 53 10.884 9.085 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.977 6.625 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.344 8.102 2.090 1.00 0.00 H new ATOM 805 N GLN A 54 10.096 7.616 3.794 1.00 0.00 N ATOM 806 CA GLN A 54 9.413 7.151 4.995 1.00 0.00 C ATOM 807 C GLN A 54 8.344 6.112 4.671 1.00 0.00 C ATOM 808 O GLN A 54 8.243 5.101 5.358 1.00 0.00 O ATOM 809 CB GLN A 54 8.772 8.305 5.775 1.00 0.00 C ATOM 810 CG GLN A 54 9.713 8.891 6.840 1.00 0.00 C ATOM 811 CD GLN A 54 8.944 9.465 8.029 1.00 0.00 C ATOM 812 OE1 GLN A 54 9.006 10.660 8.302 1.00 0.00 O ATOM 813 NE2 GLN A 54 8.228 8.603 8.757 1.00 0.00 N ATOM 0 H GLN A 54 9.890 8.584 3.548 1.00 0.00 H new ATOM 0 HA GLN A 54 10.180 6.690 5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.481 9.092 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.860 7.952 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.394 8.115 7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.325 9.674 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.201 7.617 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.709 8.931 9.571 1.00 0.00 H new ATOM 822 N VAL A 55 7.546 6.356 3.632 1.00 0.00 N ATOM 823 CA VAL A 55 6.574 5.389 3.141 1.00 0.00 C ATOM 824 C VAL A 55 7.252 4.047 2.830 1.00 0.00 C ATOM 825 O VAL A 55 6.654 2.995 3.051 1.00 0.00 O ATOM 826 CB VAL A 55 5.804 5.965 1.939 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.745 4.982 1.433 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.091 7.266 2.326 1.00 0.00 C ATOM 0 H VAL A 55 7.558 7.232 3.109 1.00 0.00 H new ATOM 0 HA VAL A 55 5.839 5.191 3.921 1.00 0.00 H new ATOM 0 HB VAL A 55 6.537 6.152 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.219 5.419 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.228 4.055 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.033 4.771 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.553 7.657 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.386 7.068 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.826 7.999 2.657 1.00 0.00 H new ATOM 838 N GLU A 56 8.516 4.068 2.387 1.00 0.00 N ATOM 839 CA GLU A 56 9.266 2.858 2.086 1.00 0.00 C ATOM 840 C GLU A 56 9.451 1.931 3.297 1.00 0.00 C ATOM 841 O GLU A 56 9.511 0.714 3.122 1.00 0.00 O ATOM 842 CB GLU A 56 10.603 3.189 1.406 1.00 0.00 C ATOM 843 CG GLU A 56 10.722 2.430 0.078 1.00 0.00 C ATOM 844 CD GLU A 56 12.148 2.449 -0.462 1.00 0.00 C ATOM 845 OE1 GLU A 56 13.035 1.949 0.264 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.322 2.937 -1.598 1.00 0.00 O ATOM 0 H GLU A 56 9.041 4.928 2.230 1.00 0.00 H new ATOM 0 HA GLU A 56 8.659 2.291 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.673 4.262 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.430 2.920 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.401 1.398 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.050 2.875 -0.656 1.00 0.00 H new ATOM 853 N LYS A 57 9.508 2.487 4.517 1.00 0.00 N ATOM 854 CA LYS A 57 9.640 1.724 5.759 1.00 0.00 C ATOM 855 C LYS A 57 8.510 0.706 5.948 1.00 0.00 C ATOM 856 O LYS A 57 8.712 -0.267 6.669 1.00 0.00 O ATOM 857 CB LYS A 57 9.677 2.674 6.964 1.00 0.00 C ATOM 858 CG LYS A 57 10.981 3.486 7.034 1.00 0.00 C ATOM 859 CD LYS A 57 10.793 4.913 7.581 1.00 0.00 C ATOM 860 CE LYS A 57 11.051 5.087 9.080 1.00 0.00 C ATOM 861 NZ LYS A 57 10.128 4.300 9.910 1.00 0.00 N ATOM 0 H LYS A 57 9.463 3.495 4.666 1.00 0.00 H new ATOM 0 HA LYS A 57 10.576 1.169 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.830 3.358 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.563 2.097 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.695 2.956 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.417 3.543 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.459 5.582 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.773 5.234 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.076 4.792 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.958 6.141 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.516 4.942 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.541 3.696 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.673 3.704 10.565 1.00 0.00 H new ATOM 875 N LEU A 58 7.338 0.917 5.325 1.00 0.00 N ATOM 876 CA LEU A 58 6.264 -0.072 5.298 1.00 0.00 C ATOM 877 C LEU A 58 6.247 -0.844 3.979 1.00 0.00 C ATOM 878 O LEU A 58 5.836 -2.004 3.949 1.00 0.00 O ATOM 879 CB LEU A 58 4.907 0.571 5.618 1.00 0.00 C ATOM 880 CG LEU A 58 4.134 1.169 4.429 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.064 0.187 3.938 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.441 2.476 4.809 1.00 0.00 C ATOM 0 H LEU A 58 7.116 1.780 4.828 1.00 0.00 H new ATOM 0 HA LEU A 58 6.461 -0.802 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.276 -0.181 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.068 1.360 6.352 1.00 0.00 H new ATOM 0 HG LEU A 58 4.863 1.364 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.526 0.625 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.540 -0.741 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.364 -0.022 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.906 2.869 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.736 2.292 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.186 3.202 5.134 1.00 0.00 H new ATOM 894 N MET A 59 6.691 -0.212 2.883 1.00 0.00 N ATOM 895 CA MET A 59 6.689 -0.841 1.573 1.00 0.00 C ATOM 896 C MET A 59 7.645 -2.022 1.508 1.00 0.00 C ATOM 897 O MET A 59 7.470 -2.879 0.646 1.00 0.00 O ATOM 898 CB MET A 59 6.970 0.150 0.444 1.00 0.00 C ATOM 899 CG MET A 59 6.007 1.347 0.419 1.00 0.00 C ATOM 900 SD MET A 59 4.909 1.427 -1.019 1.00 0.00 S ATOM 901 CE MET A 59 6.131 1.801 -2.303 1.00 0.00 C ATOM 0 H MET A 59 7.056 0.740 2.888 1.00 0.00 H new ATOM 0 HA MET A 59 5.678 -1.220 1.424 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.991 0.519 0.542 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.910 -0.373 -0.510 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.396 1.319 1.321 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.593 2.265 0.459 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.620 1.992 -3.247 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.703 2.683 -2.015 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.806 0.953 -2.421 1.00 0.00 H new ATOM 911 N GLN A 60 8.627 -2.091 2.418 1.00 0.00 N ATOM 912 CA GLN A 60 9.491 -3.248 2.550 1.00 0.00 C ATOM 913 C GLN A 60 8.650 -4.527 2.508 1.00 0.00 C ATOM 914 O GLN A 60 8.830 -5.349 1.633 1.00 0.00 O ATOM 915 CB GLN A 60 10.383 -3.113 3.796 1.00 0.00 C ATOM 916 CG GLN A 60 9.642 -2.989 5.136 1.00 0.00 C ATOM 917 CD GLN A 60 10.565 -2.610 6.293 1.00 0.00 C ATOM 918 OE1 GLN A 60 11.619 -2.010 6.098 1.00 0.00 O ATOM 919 NE2 GLN A 60 10.165 -2.970 7.514 1.00 0.00 N ATOM 0 H GLN A 60 8.836 -1.341 3.078 1.00 0.00 H new ATOM 0 HA GLN A 60 10.180 -3.309 1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.041 -3.981 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.019 -2.237 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.857 -2.238 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.152 -3.936 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.283 -3.467 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.741 -2.748 8.326 1.00 0.00 H new ATOM 928 N TRP A 61 7.687 -4.651 3.436 1.00 0.00 N ATOM 929 CA TRP A 61 6.848 -5.824 3.553 1.00 0.00 C ATOM 930 C TRP A 61 5.987 -6.043 2.289 1.00 0.00 C ATOM 931 O TRP A 61 5.764 -7.191 1.899 1.00 0.00 O ATOM 932 CB TRP A 61 6.021 -5.701 4.826 1.00 0.00 C ATOM 933 CG TRP A 61 4.743 -6.455 4.801 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.569 -7.775 5.013 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.447 -5.923 4.457 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.252 -8.113 4.770 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.518 -6.997 4.419 1.00 0.00 C ATOM 938 CE3 TRP A 61 2.980 -4.630 4.166 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.174 -6.793 4.092 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.620 -4.406 3.885 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.723 -5.485 3.834 1.00 0.00 C ATOM 0 H TRP A 61 7.478 -3.928 4.124 1.00 0.00 H new ATOM 0 HA TRP A 61 7.468 -6.717 3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.618 -6.050 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.804 -4.648 5.004 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.341 -8.463 5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.873 -9.058 4.840 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.672 -3.801 4.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.491 -7.628 4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.265 -3.402 3.708 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.316 -5.311 3.596 1.00 0.00 H new ATOM 952 N LEU A 62 5.496 -4.961 1.659 1.00 0.00 N ATOM 953 CA LEU A 62 4.697 -5.027 0.432 1.00 0.00 C ATOM 954 C LEU A 62 5.481 -5.732 -0.677 1.00 0.00 C ATOM 955 O LEU A 62 4.981 -6.687 -1.269 1.00 0.00 O ATOM 956 CB LEU A 62 4.220 -3.630 -0.026 1.00 0.00 C ATOM 957 CG LEU A 62 2.952 -3.125 0.690 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.875 -1.595 0.760 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.682 -3.563 -0.046 1.00 0.00 C ATOM 0 H LEU A 62 5.647 -4.009 1.994 1.00 0.00 H new ATOM 0 HA LEU A 62 3.803 -5.610 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.025 -2.913 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.030 -3.658 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 62 3.015 -3.552 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.961 -1.300 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.738 -1.212 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.871 -1.184 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.806 -3.190 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.691 -3.160 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.644 -4.651 -0.090 1.00 0.00 H new ATOM 1101 N VAL A 72 3.522 -12.591 -5.155 1.00 0.00 N ATOM 1102 CA VAL A 72 3.886 -11.258 -5.609 1.00 0.00 C ATOM 1103 C VAL A 72 4.488 -11.401 -7.008 1.00 0.00 C ATOM 1104 O VAL A 72 5.708 -11.422 -7.162 1.00 0.00 O ATOM 1105 CB VAL A 72 4.851 -10.611 -4.595 1.00 0.00 C ATOM 1106 CG1 VAL A 72 5.215 -9.173 -4.994 1.00 0.00 C ATOM 1107 CG2 VAL A 72 4.232 -10.566 -3.189 1.00 0.00 C ATOM 0 HA VAL A 72 3.023 -10.595 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 72 5.748 -11.230 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.896 -8.752 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.698 -9.178 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.310 -8.568 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.936 -10.105 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.312 -9.982 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.008 -11.580 -2.857 1.00 0.00 H new ATOM 1117 N GLU A 73 3.626 -11.521 -8.028 1.00 0.00 N ATOM 1118 CA GLU A 73 4.050 -11.586 -9.423 1.00 0.00 C ATOM 1119 C GLU A 73 4.912 -10.382 -9.795 1.00 0.00 C ATOM 1120 O GLU A 73 5.995 -10.561 -10.348 1.00 0.00 O ATOM 1121 CB GLU A 73 2.844 -11.745 -10.365 1.00 0.00 C ATOM 1122 CG GLU A 73 3.123 -12.709 -11.524 1.00 0.00 C ATOM 1123 CD GLU A 73 1.877 -12.890 -12.386 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.052 -13.755 -12.015 1.00 0.00 O ATOM 1125 OE2 GLU A 73 1.764 -12.153 -13.388 1.00 0.00 O ATOM 0 H GLU A 73 2.615 -11.575 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 73 4.670 -12.474 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.988 -12.106 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.571 -10.769 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.941 -12.325 -12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.443 -13.674 -11.132 1.00 0.00 H new ATOM 1132 N ARG A 74 4.437 -9.170 -9.479 1.00 0.00 N ATOM 1133 CA ARG A 74 5.096 -7.909 -9.805 1.00 0.00 C ATOM 1134 C ARG A 74 4.376 -6.756 -9.100 1.00 0.00 C ATOM 1135 O ARG A 74 3.326 -6.965 -8.500 1.00 0.00 O ATOM 1136 CB ARG A 74 5.086 -7.718 -11.335 1.00 0.00 C ATOM 1137 CG ARG A 74 6.469 -7.944 -11.965 1.00 0.00 C ATOM 1138 CD ARG A 74 7.269 -6.642 -12.106 1.00 0.00 C ATOM 1139 NE ARG A 74 6.586 -5.666 -12.966 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.400 -5.790 -14.292 1.00 0.00 C ATOM 1141 NH1 ARG A 74 6.933 -6.814 -14.974 1.00 0.00 N ATOM 1142 NH2 ARG A 74 5.663 -4.879 -14.941 1.00 0.00 N ATOM 0 H ARG A 74 3.559 -9.042 -8.976 1.00 0.00 H new ATOM 0 HA ARG A 74 6.130 -7.923 -9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.370 -8.410 -11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.744 -6.710 -11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.033 -8.649 -11.354 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.347 -8.400 -12.947 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.429 -6.206 -11.120 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.253 -6.864 -12.520 1.00 0.00 H new ATOM 0 HE ARG A 74 6.222 -4.824 -12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.491 -7.516 -14.487 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.781 -6.891 -15.980 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.249 -4.100 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.516 -4.964 -15.947 1.00 0.00 H new ATOM 1156 N VAL A 75 4.953 -5.548 -9.140 1.00 0.00 N ATOM 1157 CA VAL A 75 4.353 -4.359 -8.539 1.00 0.00 C ATOM 1158 C VAL A 75 4.891 -3.093 -9.218 1.00 0.00 C ATOM 1159 O VAL A 75 6.099 -2.992 -9.428 1.00 0.00 O ATOM 1160 CB VAL A 75 4.585 -4.368 -7.015 1.00 0.00 C ATOM 1161 CG1 VAL A 75 6.058 -4.501 -6.626 1.00 0.00 C ATOM 1162 CG2 VAL A 75 3.980 -3.135 -6.328 1.00 0.00 C ATOM 0 H VAL A 75 5.850 -5.372 -9.592 1.00 0.00 H new ATOM 0 HA VAL A 75 3.275 -4.366 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 75 4.068 -5.260 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.149 -4.501 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.456 -5.435 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.620 -3.663 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.169 -3.186 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.436 -2.232 -6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.905 -3.110 -6.506 1.00 0.00 H new ATOM 1172 N LEU A 76 4.012 -2.140 -9.565 1.00 0.00 N ATOM 1173 CA LEU A 76 4.386 -0.871 -10.203 1.00 0.00 C ATOM 1174 C LEU A 76 4.102 0.310 -9.275 1.00 0.00 C ATOM 1175 O LEU A 76 3.168 0.236 -8.483 1.00 0.00 O ATOM 1176 CB LEU A 76 3.596 -0.690 -11.511 1.00 0.00 C ATOM 1177 CG LEU A 76 4.487 -0.309 -12.704 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.385 -1.481 -13.127 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.591 0.082 -13.883 1.00 0.00 C ATOM 0 H LEU A 76 3.008 -2.232 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 76 5.454 -0.900 -10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.067 -1.615 -11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.840 0.082 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 76 5.126 0.523 -12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.003 -1.179 -13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.026 -1.767 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.764 -2.329 -13.415 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.211 0.355 -14.737 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.955 -0.761 -14.152 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.968 0.931 -13.601 1.00 0.00 H new ATOM 1191 N SER A 77 4.895 1.385 -9.387 1.00 0.00 N ATOM 1192 CA SER A 77 4.812 2.567 -8.529 1.00 0.00 C ATOM 1193 C SER A 77 4.789 3.857 -9.357 1.00 0.00 C ATOM 1194 O SER A 77 5.648 4.030 -10.222 1.00 0.00 O ATOM 1195 CB SER A 77 6.020 2.601 -7.576 1.00 0.00 C ATOM 1196 OG SER A 77 6.937 1.547 -7.809 1.00 0.00 O ATOM 0 H SER A 77 5.627 1.455 -10.094 1.00 0.00 H new ATOM 0 HA SER A 77 3.885 2.505 -7.960 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.536 3.555 -7.685 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.666 2.546 -6.547 1.00 0.00 H new ATOM 0 HG SER A 77 7.684 1.618 -7.178 1.00 0.00 H new ATOM 1202 N GLU A 78 3.846 4.767 -9.069 1.00 0.00 N ATOM 1203 CA GLU A 78 3.683 6.036 -9.788 1.00 0.00 C ATOM 1204 C GLU A 78 3.311 7.182 -8.836 1.00 0.00 C ATOM 1205 O GLU A 78 2.749 6.931 -7.768 1.00 0.00 O ATOM 1206 CB GLU A 78 2.607 5.872 -10.874 1.00 0.00 C ATOM 1207 CG GLU A 78 3.217 5.354 -12.189 1.00 0.00 C ATOM 1208 CD GLU A 78 2.172 5.061 -13.261 1.00 0.00 C ATOM 1209 OE1 GLU A 78 1.185 5.826 -13.329 1.00 0.00 O ATOM 1210 OE2 GLU A 78 2.375 4.066 -13.990 1.00 0.00 O ATOM 0 H GLU A 78 3.167 4.638 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 78 4.636 6.294 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.840 5.179 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.116 6.829 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.922 6.092 -12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.785 4.446 -11.986 1.00 0.00 H new ATOM 1217 N PRO A 79 3.596 8.441 -9.221 1.00 0.00 N ATOM 1218 CA PRO A 79 3.322 9.626 -8.417 1.00 0.00 C ATOM 1219 C PRO A 79 1.814 9.869 -8.301 1.00 0.00 C ATOM 1220 O PRO A 79 1.126 9.962 -9.316 1.00 0.00 O ATOM 1221 CB PRO A 79 4.023 10.780 -9.143 1.00 0.00 C ATOM 1222 CG PRO A 79 4.021 10.332 -10.604 1.00 0.00 C ATOM 1223 CD PRO A 79 4.225 8.824 -10.480 1.00 0.00 C ATOM 0 HA PRO A 79 3.687 9.520 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.490 11.721 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.036 10.933 -8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.083 10.576 -11.103 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.819 10.805 -11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.772 8.298 -11.320 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.285 8.571 -10.480 1.00 0.00 H new ATOM 1231 N HIS A 80 1.303 9.973 -7.065 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.115 10.171 -6.785 1.00 0.00 C ATOM 1233 C HIS A 80 -0.318 11.488 -6.038 1.00 0.00 C ATOM 1234 O HIS A 80 0.176 11.637 -4.928 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.615 8.983 -5.953 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.112 8.916 -5.815 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.947 8.585 -6.869 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.893 9.113 -4.706 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.197 8.593 -6.376 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.209 8.910 -5.072 1.00 0.00 N ATOM 0 H HIS A 80 1.877 9.920 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.683 10.224 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.261 8.059 -6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.171 9.037 -4.959 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.541 9.380 -3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.081 8.372 -6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.029 8.986 -4.470 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.044 12.452 -6.615 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.277 13.743 -5.970 1.00 0.00 C ATOM 1251 C HIS A 81 -2.745 13.861 -5.524 1.00 0.00 C ATOM 1252 O HIS A 81 -3.530 14.522 -6.203 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.834 14.856 -6.933 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.528 16.179 -6.270 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.231 16.285 -5.111 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.816 17.451 -6.694 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.369 17.597 -4.865 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.245 18.338 -5.801 1.00 0.00 N ATOM 0 H HIS A 81 -1.481 12.359 -7.532 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.685 13.839 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.053 14.521 -7.471 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.618 15.009 -7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.388 17.713 -7.571 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.906 18.005 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.283 19.356 -5.845 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.145 13.223 -4.408 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.525 13.187 -3.951 1.00 0.00 C ATOM 1269 C PRO A 82 -4.929 14.561 -3.420 1.00 0.00 C ATOM 1270 O PRO A 82 -4.250 15.125 -2.562 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.577 12.119 -2.852 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.162 12.136 -2.282 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.315 12.439 -3.514 1.00 0.00 C ATOM 0 HA PRO A 82 -5.221 12.943 -4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.320 12.359 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.837 11.140 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.044 12.897 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.895 11.181 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.415 12.989 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.990 11.517 -3.996 1.00 0.00 H new ATOM 1281 N SER A 83 -6.035 15.096 -3.944 1.00 0.00 N ATOM 1282 CA SER A 83 -6.580 16.376 -3.523 1.00 0.00 C ATOM 1283 C SER A 83 -7.168 16.276 -2.114 1.00 0.00 C ATOM 1284 O SER A 83 -7.652 15.220 -1.708 1.00 0.00 O ATOM 1285 CB SER A 83 -7.627 16.855 -4.535 1.00 0.00 C ATOM 1286 OG SER A 83 -8.632 15.879 -4.727 1.00 0.00 O ATOM 0 H SER A 83 -6.578 14.643 -4.679 1.00 0.00 H new ATOM 0 HA SER A 83 -5.776 17.111 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.079 17.783 -4.184 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.143 17.076 -5.487 1.00 0.00 H new ATOM 0 HG SER A 83 -9.289 16.209 -5.375 1.00 0.00 H new ATOM 1292 N GLY A 84 -7.102 17.386 -1.369 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.527 17.459 0.020 1.00 0.00 C ATOM 1294 C GLY A 84 -6.632 16.628 0.942 1.00 0.00 C ATOM 1295 O GLY A 84 -5.716 15.939 0.495 1.00 0.00 O ATOM 0 H GLY A 84 -6.744 18.271 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.517 18.499 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.556 17.109 0.102 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.922 16.703 2.244 1.00 0.00 N ATOM 1300 CA GLU A 85 -6.253 15.939 3.288 1.00 0.00 C ATOM 1301 C GLU A 85 -7.183 14.821 3.755 1.00 0.00 C ATOM 1302 O GLU A 85 -8.358 15.065 4.027 1.00 0.00 O ATOM 1303 CB GLU A 85 -5.883 16.866 4.452 1.00 0.00 C ATOM 1304 CG GLU A 85 -4.627 17.684 4.114 1.00 0.00 C ATOM 1305 CD GLU A 85 -4.261 18.695 5.198 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -5.114 18.947 6.078 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -3.123 19.208 5.123 1.00 0.00 O ATOM 0 H GLU A 85 -7.652 17.317 2.606 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.334 15.498 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.714 17.538 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.708 16.277 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.788 17.005 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.786 18.211 3.173 1.00 0.00 H new ATOM 1314 N LEU A 86 -6.650 13.597 3.840 1.00 0.00 N ATOM 1315 CA LEU A 86 -7.389 12.427 4.290 1.00 0.00 C ATOM 1316 C LEU A 86 -7.390 12.379 5.820 1.00 0.00 C ATOM 1317 O LEU A 86 -6.466 12.879 6.459 1.00 0.00 O ATOM 1318 CB LEU A 86 -6.752 11.173 3.678 1.00 0.00 C ATOM 1319 CG LEU A 86 -7.527 9.866 3.922 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -8.972 9.908 3.411 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -6.809 8.738 3.180 1.00 0.00 C ATOM 0 H LEU A 86 -5.681 13.396 3.594 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.427 12.477 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.651 11.323 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.745 11.062 4.081 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.561 9.713 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.458 8.954 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.514 10.708 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.973 10.092 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.342 7.801 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.782 8.963 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.791 8.645 3.557 1.00 0.00 H new ATOM 1333 N THR A 87 -8.434 11.778 6.400 1.00 0.00 N ATOM 1334 CA THR A 87 -8.594 11.650 7.838 1.00 0.00 C ATOM 1335 C THR A 87 -7.631 10.569 8.340 1.00 0.00 C ATOM 1336 O THR A 87 -6.615 10.895 8.950 1.00 0.00 O ATOM 1337 CB THR A 87 -10.075 11.370 8.154 1.00 0.00 C ATOM 1338 OG1 THR A 87 -10.855 12.442 7.661 1.00 0.00 O ATOM 1339 CG2 THR A 87 -10.335 11.226 9.654 1.00 0.00 C ATOM 0 H THR A 87 -9.199 11.363 5.868 1.00 0.00 H new ATOM 0 HA THR A 87 -8.337 12.570 8.364 1.00 0.00 H new ATOM 0 HB THR A 87 -10.343 10.427 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.801 12.274 7.855 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.394 11.030 9.823 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.745 10.398 10.048 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.052 12.147 10.163 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.945 9.298 8.061 1.00 0.00 N ATOM 1348 CA ASP A 88 -7.176 8.140 8.507 1.00 0.00 C ATOM 1349 C ASP A 88 -7.055 7.115 7.379 1.00 0.00 C ATOM 1350 O ASP A 88 -7.817 7.149 6.412 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.858 7.504 9.730 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.799 8.388 10.975 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.681 8.839 11.307 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.871 8.579 11.587 1.00 0.00 O ATOM 0 H ASP A 88 -8.762 9.045 7.505 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.174 8.467 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.900 7.294 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.382 6.548 9.948 1.00 0.00 H new ATOM 1359 N PHE A 89 -6.101 6.189 7.524 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.908 5.079 6.604 1.00 0.00 C ATOM 1361 C PHE A 89 -7.035 4.050 6.759 1.00 0.00 C ATOM 1362 O PHE A 89 -7.556 3.857 7.857 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.518 4.467 6.823 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.266 3.164 6.093 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.596 1.952 6.721 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.735 3.154 4.789 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.433 0.742 6.036 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.569 1.937 4.104 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.940 0.731 4.722 1.00 0.00 C ATOM 0 H PHE A 89 -5.435 6.196 8.297 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.953 5.439 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.766 5.192 6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.376 4.300 7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.975 1.953 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.455 4.083 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.688 -0.188 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.157 1.929 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.846 -0.202 4.187 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.404 3.392 5.652 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.458 2.381 5.599 1.00 0.00 C ATOM 1381 C ARG A 90 -8.080 1.277 4.611 1.00 0.00 C ATOM 1382 O ARG A 90 -6.996 1.296 4.036 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.800 3.041 5.241 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.787 3.577 3.806 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.975 4.492 3.513 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.842 5.066 2.166 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.432 6.190 1.725 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.229 6.912 2.527 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.228 6.584 0.462 1.00 0.00 N ATOM 0 H ARG A 90 -6.963 3.556 4.747 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.569 1.917 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.606 2.317 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.004 3.856 5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.860 4.124 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.797 2.739 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.906 3.930 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.023 5.289 4.255 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.247 4.565 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.395 6.610 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.669 7.763 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.630 6.033 -0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.670 7.435 0.116 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.975 0.303 4.412 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.743 -0.839 3.540 1.00 0.00 C ATOM 1405 C ILE A 91 -10.067 -1.245 2.882 1.00 0.00 C ATOM 1406 O ILE A 91 -10.704 -2.203 3.314 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.084 -1.988 4.337 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.813 -2.330 5.654 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -6.623 -1.660 4.667 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -8.505 -3.752 6.130 1.00 0.00 C ATOM 0 H ILE A 91 -9.891 0.292 4.861 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.048 -0.579 2.742 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.148 -2.858 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.520 -1.618 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.888 -2.221 5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.183 -2.484 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.066 -1.512 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.581 -0.750 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.039 -3.948 7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.823 -4.467 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.433 -3.855 6.299 1.00 0.00 H new