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 25:sc= 0.283 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= 0.0778 K(o=0.078,f=-1.1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -25:sc= 0.136 USER MOD Single : A 23 THR OG1 : rot -102:sc= 0.643 USER MOD Single : A 24 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.79) 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 -170:sc= -0.288 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= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 43 SER OG : rot 68:sc= -0.0483 USER MOD Single : A 54 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -179:sc= 0 (180deg=-0.00222) USER MOD Single : A 60 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.17) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.104 F(o=-0.66,f=-0.1) USER MOD Single : A 81 HIS : no HD1:sc= -0.0755 X(o=-0.076,f=-0.00018) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.649 19.770 0.483 1.00 0.00 N ATOM 21 CA SER A 2 6.492 18.800 1.180 1.00 0.00 C ATOM 22 C SER A 2 5.933 17.378 1.016 1.00 0.00 C ATOM 23 O SER A 2 6.679 16.452 0.706 1.00 0.00 O ATOM 24 CB SER A 2 6.617 19.190 2.661 1.00 0.00 C ATOM 25 OG SER A 2 6.863 20.576 2.802 1.00 0.00 O ATOM 0 HA SER A 2 7.489 18.809 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.701 18.924 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.427 18.625 3.122 1.00 0.00 H new ATOM 0 HG SER A 2 6.515 21.051 2.019 1.00 0.00 H new ATOM 31 N LYS A 3 4.619 17.210 1.227 1.00 0.00 N ATOM 32 CA LYS A 3 3.904 15.938 1.120 1.00 0.00 C ATOM 33 C LYS A 3 3.914 15.390 -0.313 1.00 0.00 C ATOM 34 O LYS A 3 3.645 16.132 -1.257 1.00 0.00 O ATOM 35 CB LYS A 3 2.445 16.138 1.573 1.00 0.00 C ATOM 36 CG LYS A 3 2.132 15.588 2.969 1.00 0.00 C ATOM 37 CD LYS A 3 3.012 16.175 4.079 1.00 0.00 C ATOM 38 CE LYS A 3 2.538 15.690 5.456 1.00 0.00 C ATOM 39 NZ LYS A 3 1.399 16.480 5.961 1.00 0.00 N ATOM 0 H LYS A 3 4.008 17.985 1.485 1.00 0.00 H new ATOM 0 HA LYS A 3 4.413 15.215 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.215 17.203 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.785 15.658 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.087 15.790 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.253 14.505 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.050 15.882 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.979 17.264 4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.250 14.641 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.364 15.751 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.112 16.118 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.680 17.478 6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.601 16.402 5.298 1.00 0.00 H new ATOM 53 N VAL A 4 4.201 14.087 -0.453 1.00 0.00 N ATOM 54 CA VAL A 4 4.370 13.409 -1.731 1.00 0.00 C ATOM 55 C VAL A 4 3.703 12.039 -1.648 1.00 0.00 C ATOM 56 O VAL A 4 4.324 11.058 -1.242 1.00 0.00 O ATOM 57 CB VAL A 4 5.867 13.341 -2.113 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.833 12.926 -0.997 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.090 12.439 -3.339 1.00 0.00 C ATOM 0 H VAL A 4 4.324 13.466 0.347 1.00 0.00 H new ATOM 0 HA VAL A 4 3.885 13.966 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 4 6.113 14.378 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.852 12.914 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.765 13.637 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.569 11.931 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.152 12.412 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.743 11.430 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.533 12.835 -4.188 1.00 0.00 H new ATOM 69 N CYS A 5 2.424 11.974 -2.019 1.00 0.00 N ATOM 70 CA CYS A 5 1.705 10.709 -2.034 1.00 0.00 C ATOM 71 C CYS A 5 2.013 9.925 -3.311 1.00 0.00 C ATOM 72 O CYS A 5 2.374 10.512 -4.329 1.00 0.00 O ATOM 73 CB CYS A 5 0.193 10.896 -1.817 1.00 0.00 C ATOM 74 SG CYS A 5 -0.352 12.179 -0.649 1.00 0.00 S ATOM 0 H CYS A 5 1.871 12.780 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 5 2.060 10.118 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.259 11.113 -2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.216 9.943 -1.481 1.00 0.00 H new ATOM 79 N ILE A 6 1.904 8.593 -3.240 1.00 0.00 N ATOM 80 CA ILE A 6 2.204 7.705 -4.364 1.00 0.00 C ATOM 81 C ILE A 6 1.191 6.554 -4.404 1.00 0.00 C ATOM 82 O ILE A 6 0.558 6.255 -3.392 1.00 0.00 O ATOM 83 CB ILE A 6 3.671 7.208 -4.323 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.258 7.049 -2.917 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.617 8.166 -5.063 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.484 6.017 -2.113 1.00 0.00 C ATOM 0 H ILE A 6 1.604 8.102 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 6 2.106 8.267 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 6 3.610 6.230 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.304 6.749 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.236 8.008 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.636 7.783 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.311 8.246 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.576 9.150 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.923 5.925 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.444 6.331 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.529 5.053 -2.620 1.00 0.00 H new ATOM 98 N ILE A 7 1.030 5.924 -5.574 1.00 0.00 N ATOM 99 CA ILE A 7 0.153 4.771 -5.772 1.00 0.00 C ATOM 100 C ILE A 7 0.983 3.558 -6.199 1.00 0.00 C ATOM 101 O ILE A 7 1.635 3.593 -7.239 1.00 0.00 O ATOM 102 CB ILE A 7 -0.999 5.105 -6.741 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.905 3.873 -6.942 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.536 5.649 -8.100 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.383 4.257 -7.052 1.00 0.00 C ATOM 0 H ILE A 7 1.516 6.209 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.329 4.511 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.561 5.911 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.600 3.343 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.771 3.185 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.405 5.859 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.033 6.566 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.093 4.908 -8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.983 3.358 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.696 4.763 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.523 4.924 -7.903 1.00 0.00 H new ATOM 117 N ALA A 8 0.962 2.499 -5.377 1.00 0.00 N ATOM 118 CA ALA A 8 1.662 1.240 -5.590 1.00 0.00 C ATOM 119 C ALA A 8 0.659 0.142 -5.964 1.00 0.00 C ATOM 120 O ALA A 8 -0.099 -0.319 -5.113 1.00 0.00 O ATOM 121 CB ALA A 8 2.448 0.871 -4.328 1.00 0.00 C ATOM 0 H ALA A 8 0.429 2.505 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 8 2.368 1.345 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.972 -0.071 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.172 1.656 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.760 0.766 -3.489 1.00 0.00 H new ATOM 127 N TRP A 9 0.666 -0.283 -7.233 1.00 0.00 N ATOM 128 CA TRP A 9 -0.157 -1.364 -7.763 1.00 0.00 C ATOM 129 C TRP A 9 0.575 -2.691 -7.644 1.00 0.00 C ATOM 130 O TRP A 9 1.700 -2.795 -8.116 1.00 0.00 O ATOM 131 CB TRP A 9 -0.435 -1.112 -9.244 1.00 0.00 C ATOM 132 CG TRP A 9 -1.417 -0.025 -9.510 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.745 -0.141 -9.318 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.204 1.315 -10.032 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.373 1.036 -9.653 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.469 1.969 -10.115 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.076 2.043 -10.461 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.604 3.283 -10.583 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.214 3.325 -11.016 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.468 3.961 -11.050 1.00 0.00 C ATOM 0 H TRP A 9 1.269 0.135 -7.941 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.087 -1.400 -7.195 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.504 -0.866 -9.741 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.802 -2.034 -9.694 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.243 -1.028 -8.955 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.377 1.198 -9.570 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.908 1.609 -10.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.569 3.767 -10.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.652 3.828 -11.421 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.556 4.967 -11.434 1.00 0.00 H new ATOM 151 N VAL A 10 -0.075 -3.701 -7.060 1.00 0.00 N ATOM 152 CA VAL A 10 0.495 -5.020 -6.830 1.00 0.00 C ATOM 153 C VAL A 10 -0.266 -6.050 -7.677 1.00 0.00 C ATOM 154 O VAL A 10 -1.476 -6.183 -7.522 1.00 0.00 O ATOM 155 CB VAL A 10 0.396 -5.359 -5.331 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.259 -6.584 -5.032 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.862 -4.233 -4.395 1.00 0.00 C ATOM 0 H VAL A 10 -1.036 -3.616 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 10 1.545 -5.037 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.663 -5.531 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.191 -6.827 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.906 -7.430 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.296 -6.370 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.759 -4.555 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.907 -3.998 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.252 -3.345 -4.561 1.00 0.00 H new ATOM 167 N TYR A 11 0.434 -6.788 -8.549 1.00 0.00 N ATOM 168 CA TYR A 11 -0.133 -7.830 -9.407 1.00 0.00 C ATOM 169 C TYR A 11 0.049 -9.212 -8.778 1.00 0.00 C ATOM 170 O TYR A 11 0.639 -9.345 -7.706 1.00 0.00 O ATOM 171 CB TYR A 11 0.516 -7.780 -10.800 1.00 0.00 C ATOM 172 CG TYR A 11 0.149 -6.564 -11.625 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.770 -5.323 -11.387 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.789 -6.689 -12.668 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.458 -4.215 -12.193 1.00 0.00 C ATOM 176 CE2 TYR A 11 -1.089 -5.584 -13.481 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.465 -4.348 -13.246 1.00 0.00 C ATOM 178 OH TYR A 11 -0.751 -3.280 -14.045 1.00 0.00 O ATOM 0 H TYR A 11 1.439 -6.671 -8.679 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.202 -7.646 -9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.599 -7.809 -10.683 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.231 -8.676 -11.351 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.486 -5.223 -10.585 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.278 -7.636 -12.843 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.927 -3.261 -12.004 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.800 -5.685 -14.288 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.407 -3.545 -14.723 1.00 0.00 H new ATOM 188 N GLY A 12 -0.454 -10.250 -9.460 1.00 0.00 N ATOM 189 CA GLY A 12 -0.335 -11.622 -9.010 1.00 0.00 C ATOM 190 C GLY A 12 -1.263 -11.906 -7.835 1.00 0.00 C ATOM 191 O GLY A 12 -2.240 -11.198 -7.615 1.00 0.00 O ATOM 0 H GLY A 12 -0.955 -10.149 -10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.570 -12.298 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.696 -11.822 -8.718 1.00 0.00 H new ATOM 195 N ARG A 13 -0.965 -12.968 -7.085 1.00 0.00 N ATOM 196 CA ARG A 13 -1.856 -13.468 -6.048 1.00 0.00 C ATOM 197 C ARG A 13 -1.665 -12.742 -4.720 1.00 0.00 C ATOM 198 O ARG A 13 -0.828 -13.136 -3.913 1.00 0.00 O ATOM 199 CB ARG A 13 -1.683 -14.970 -5.855 1.00 0.00 C ATOM 200 CG ARG A 13 -1.807 -15.713 -7.186 1.00 0.00 C ATOM 201 CD ARG A 13 -2.137 -17.193 -6.949 1.00 0.00 C ATOM 202 NE ARG A 13 -2.910 -17.740 -8.070 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.183 -17.403 -8.344 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.856 -16.557 -7.548 1.00 0.00 N ATOM 205 NH2 ARG A 13 -4.782 -17.904 -9.430 1.00 0.00 N ATOM 0 H ARG A 13 -0.101 -13.501 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.872 -13.270 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.709 -15.173 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.435 -15.339 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.586 -15.254 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.875 -15.627 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.215 -17.761 -6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.703 -17.300 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.453 -18.418 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.402 -16.162 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.821 -16.309 -7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.274 -18.538 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.747 -17.652 -9.642 1.00 0.00 H new ATOM 219 N VAL A 14 -2.451 -11.682 -4.516 1.00 0.00 N ATOM 220 CA VAL A 14 -2.343 -10.811 -3.350 1.00 0.00 C ATOM 221 C VAL A 14 -3.722 -10.582 -2.722 1.00 0.00 C ATOM 222 O VAL A 14 -3.870 -10.668 -1.504 1.00 0.00 O ATOM 223 CB VAL A 14 -1.664 -9.499 -3.767 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.328 -8.624 -2.549 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.344 -9.823 -4.476 1.00 0.00 C ATOM 0 H VAL A 14 -3.187 -11.404 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.727 -11.283 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.354 -8.962 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.849 -7.704 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.245 -8.381 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.652 -9.166 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.145 -8.896 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.307 -10.374 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.545 -10.429 -5.359 1.00 0.00 H new ATOM 235 N GLN A 15 -4.732 -10.289 -3.556 1.00 0.00 N ATOM 236 CA GLN A 15 -6.102 -10.097 -3.101 1.00 0.00 C ATOM 237 C GLN A 15 -6.710 -11.427 -2.653 1.00 0.00 C ATOM 238 O GLN A 15 -6.387 -12.479 -3.203 1.00 0.00 O ATOM 239 CB GLN A 15 -6.955 -9.411 -4.176 1.00 0.00 C ATOM 240 CG GLN A 15 -7.209 -10.206 -5.458 1.00 0.00 C ATOM 241 CD GLN A 15 -8.289 -9.511 -6.287 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.316 -10.109 -6.597 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.073 -8.242 -6.633 1.00 0.00 N ATOM 0 H GLN A 15 -4.613 -10.180 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.087 -9.432 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.919 -9.157 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.472 -8.472 -4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.288 -10.287 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.522 -11.221 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.207 -7.778 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.773 -7.734 -7.174 1.00 0.00 H new ATOM 252 N GLY A 16 -7.588 -11.372 -1.647 1.00 0.00 N ATOM 253 CA GLY A 16 -8.290 -12.538 -1.130 1.00 0.00 C ATOM 254 C GLY A 16 -7.422 -13.418 -0.224 1.00 0.00 C ATOM 255 O GLY A 16 -7.808 -14.550 0.059 1.00 0.00 O ATOM 0 H GLY A 16 -7.830 -10.505 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.166 -12.208 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.652 -13.136 -1.967 1.00 0.00 H new ATOM 259 N VAL A 17 -6.272 -12.907 0.238 1.00 0.00 N ATOM 260 CA VAL A 17 -5.359 -13.602 1.141 1.00 0.00 C ATOM 261 C VAL A 17 -5.439 -12.969 2.532 1.00 0.00 C ATOM 262 O VAL A 17 -5.487 -13.683 3.531 1.00 0.00 O ATOM 263 CB VAL A 17 -3.932 -13.565 0.565 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.904 -14.153 1.541 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.877 -14.360 -0.747 1.00 0.00 C ATOM 0 H VAL A 17 -5.947 -11.974 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.645 -14.649 1.237 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.682 -12.519 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.911 -14.107 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.912 -13.579 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.158 -15.191 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.864 -14.329 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.161 -15.395 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.567 -13.921 -1.468 1.00 0.00 H new ATOM 275 N GLY A 18 -5.448 -11.632 2.584 1.00 0.00 N ATOM 276 CA GLY A 18 -5.477 -10.844 3.799 1.00 0.00 C ATOM 277 C GLY A 18 -4.226 -9.984 3.935 1.00 0.00 C ATOM 278 O GLY A 18 -3.832 -9.667 5.054 1.00 0.00 O ATOM 0 H GLY A 18 -5.435 -11.057 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.361 -10.206 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.561 -11.505 4.661 1.00 0.00 H new ATOM 282 N PHE A 19 -3.621 -9.589 2.807 1.00 0.00 N ATOM 283 CA PHE A 19 -2.445 -8.731 2.775 1.00 0.00 C ATOM 284 C PHE A 19 -2.654 -7.477 3.628 1.00 0.00 C ATOM 285 O PHE A 19 -1.740 -7.040 4.314 1.00 0.00 O ATOM 286 CB PHE A 19 -2.110 -8.372 1.320 1.00 0.00 C ATOM 287 CG PHE A 19 -0.624 -8.288 1.050 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.091 -9.441 0.677 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.062 -7.077 1.244 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.469 -9.361 0.419 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.460 -7.039 1.127 1.00 0.00 C ATOM 292 CZ PHE A 19 2.163 -8.165 0.675 1.00 0.00 C ATOM 0 H PHE A 19 -3.946 -9.865 1.880 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.600 -9.270 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.551 -9.118 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.571 -7.416 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.420 -10.388 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.486 -6.177 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.995 -10.217 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.997 -6.138 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.231 -8.114 0.524 1.00 0.00 H new ATOM 302 N ARG A 20 -3.871 -6.921 3.620 1.00 0.00 N ATOM 303 CA ARG A 20 -4.243 -5.746 4.394 1.00 0.00 C ATOM 304 C ARG A 20 -4.410 -6.053 5.893 1.00 0.00 C ATOM 305 O ARG A 20 -5.477 -5.824 6.460 1.00 0.00 O ATOM 306 CB ARG A 20 -5.508 -5.125 3.779 1.00 0.00 C ATOM 307 CG ARG A 20 -6.730 -6.065 3.779 1.00 0.00 C ATOM 308 CD ARG A 20 -7.159 -6.528 2.379 1.00 0.00 C ATOM 309 NE ARG A 20 -8.619 -6.683 2.306 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.347 -7.674 2.849 1.00 0.00 C ATOM 311 NH1 ARG A 20 -8.758 -8.697 3.482 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.683 -7.633 2.756 1.00 0.00 N ATOM 0 H ARG A 20 -4.639 -7.290 3.059 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.431 -5.021 4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.760 -4.218 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.292 -4.826 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.502 -6.941 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.568 -5.556 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.828 -5.804 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.676 -7.475 2.140 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.131 -5.966 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.741 -8.733 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.326 -9.440 3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.137 -6.855 2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.246 -8.379 3.164 1.00 0.00 H new ATOM 326 N TYR A 21 -3.341 -6.542 6.537 1.00 0.00 N ATOM 327 CA TYR A 21 -3.299 -6.882 7.953 1.00 0.00 C ATOM 328 C TYR A 21 -2.378 -5.907 8.686 1.00 0.00 C ATOM 329 O TYR A 21 -2.853 -5.036 9.413 1.00 0.00 O ATOM 330 CB TYR A 21 -2.858 -8.343 8.121 1.00 0.00 C ATOM 331 CG TYR A 21 -3.196 -8.936 9.473 1.00 0.00 C ATOM 332 CD1 TYR A 21 -2.324 -8.777 10.566 1.00 0.00 C ATOM 333 CD2 TYR A 21 -4.403 -9.641 9.639 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.655 -9.330 11.816 1.00 0.00 C ATOM 335 CE2 TYR A 21 -4.730 -10.198 10.886 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.856 -10.045 11.975 1.00 0.00 C ATOM 337 OH TYR A 21 -4.177 -10.592 13.182 1.00 0.00 O ATOM 0 H TYR A 21 -2.454 -6.715 6.063 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.291 -6.789 8.394 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.328 -8.945 7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.781 -8.407 7.966 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.401 -8.230 10.445 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.080 -9.754 8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.986 -9.206 12.655 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.654 -10.744 11.008 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.041 -11.049 13.114 1.00 0.00 H new ATOM 347 N THR A 22 -1.061 -6.044 8.482 1.00 0.00 N ATOM 348 CA THR A 22 -0.066 -5.195 9.125 1.00 0.00 C ATOM 349 C THR A 22 -0.056 -3.788 8.521 1.00 0.00 C ATOM 350 O THR A 22 0.452 -2.871 9.162 1.00 0.00 O ATOM 351 CB THR A 22 1.322 -5.853 9.110 1.00 0.00 C ATOM 352 OG1 THR A 22 2.190 -5.156 9.980 1.00 0.00 O ATOM 353 CG2 THR A 22 1.940 -5.890 7.712 1.00 0.00 C ATOM 0 H THR A 22 -0.661 -6.750 7.864 1.00 0.00 H new ATOM 0 HA THR A 22 -0.348 -5.081 10.172 1.00 0.00 H new ATOM 0 HB THR A 22 1.190 -6.883 9.441 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.876 -4.233 10.085 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.920 -6.365 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.293 -6.458 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.048 -4.873 7.335 1.00 0.00 H new ATOM 361 N THR A 23 -0.625 -3.615 7.314 1.00 0.00 N ATOM 362 CA THR A 23 -0.733 -2.323 6.644 1.00 0.00 C ATOM 363 C THR A 23 -1.211 -1.218 7.598 1.00 0.00 C ATOM 364 O THR A 23 -0.723 -0.095 7.516 1.00 0.00 O ATOM 365 CB THR A 23 -1.623 -2.439 5.390 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.459 -1.287 4.588 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.112 -2.621 5.692 1.00 0.00 C ATOM 0 H THR A 23 -1.025 -4.384 6.777 1.00 0.00 H new ATOM 0 HA THR A 23 0.264 -2.028 6.317 1.00 0.00 H new ATOM 0 HB THR A 23 -1.296 -3.341 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.220 -0.684 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.667 -2.694 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.257 -3.532 6.272 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.475 -1.766 6.263 1.00 0.00 H new ATOM 375 N GLN A 24 -2.126 -1.545 8.523 1.00 0.00 N ATOM 376 CA GLN A 24 -2.629 -0.631 9.542 1.00 0.00 C ATOM 377 C GLN A 24 -1.548 -0.355 10.588 1.00 0.00 C ATOM 378 O GLN A 24 -1.204 0.800 10.830 1.00 0.00 O ATOM 379 CB GLN A 24 -3.869 -1.232 10.219 1.00 0.00 C ATOM 380 CG GLN A 24 -5.050 -1.371 9.249 1.00 0.00 C ATOM 381 CD GLN A 24 -6.179 -0.381 9.496 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.478 -0.004 10.626 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.848 0.003 8.416 1.00 0.00 N ATOM 0 H GLN A 24 -2.542 -2.475 8.579 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.903 0.309 9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.619 -2.211 10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.163 -0.602 11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.686 -1.243 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.447 -2.383 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.567 -0.334 7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.644 0.635 8.507 1.00 0.00 H new ATOM 392 N TYR A 25 -1.047 -1.418 11.232 1.00 0.00 N ATOM 393 CA TYR A 25 -0.081 -1.335 12.321 1.00 0.00 C ATOM 394 C TYR A 25 1.118 -0.484 11.913 1.00 0.00 C ATOM 395 O TYR A 25 1.393 0.538 12.534 1.00 0.00 O ATOM 396 CB TYR A 25 0.365 -2.748 12.744 1.00 0.00 C ATOM 397 CG TYR A 25 0.281 -2.996 14.237 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.262 -2.468 15.096 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.778 -3.755 14.768 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.215 -2.743 16.474 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.832 -4.019 16.148 1.00 0.00 C ATOM 402 CZ TYR A 25 0.168 -3.521 17.000 1.00 0.00 C ATOM 403 OH TYR A 25 0.125 -3.790 18.336 1.00 0.00 O ATOM 0 H TYR A 25 -1.311 -2.376 11.001 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.558 -0.854 13.175 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.252 -3.483 12.228 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.392 -2.908 12.416 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.053 -1.850 14.696 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.550 -4.135 14.115 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.983 -2.357 17.128 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.643 -4.605 16.554 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.663 -4.338 18.534 1.00 0.00 H new ATOM 413 N GLU A 26 1.814 -0.909 10.855 1.00 0.00 N ATOM 414 CA GLU A 26 2.973 -0.224 10.306 1.00 0.00 C ATOM 415 C GLU A 26 2.625 1.226 9.967 1.00 0.00 C ATOM 416 O GLU A 26 3.372 2.135 10.322 1.00 0.00 O ATOM 417 CB GLU A 26 3.466 -0.998 9.076 1.00 0.00 C ATOM 418 CG GLU A 26 4.823 -1.677 9.312 1.00 0.00 C ATOM 419 CD GLU A 26 5.029 -2.843 8.350 1.00 0.00 C ATOM 420 OE1 GLU A 26 5.058 -2.579 7.130 1.00 0.00 O ATOM 421 OE2 GLU A 26 5.133 -3.986 8.851 1.00 0.00 O ATOM 0 H GLU A 26 1.576 -1.761 10.348 1.00 0.00 H new ATOM 0 HA GLU A 26 3.776 -0.193 11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.728 -1.753 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.547 -0.315 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.624 -0.949 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.880 -2.035 10.340 1.00 0.00 H new ATOM 428 N ALA A 27 1.482 1.447 9.304 1.00 0.00 N ATOM 429 CA ALA A 27 1.049 2.790 8.943 1.00 0.00 C ATOM 430 C ALA A 27 0.914 3.702 10.160 1.00 0.00 C ATOM 431 O ALA A 27 1.231 4.885 10.072 1.00 0.00 O ATOM 432 CB ALA A 27 -0.274 2.741 8.172 1.00 0.00 C ATOM 0 H ALA A 27 0.844 0.707 9.009 1.00 0.00 H new ATOM 0 HA ALA A 27 1.823 3.212 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.581 3.754 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.143 2.156 7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.041 2.278 8.794 1.00 0.00 H new ATOM 438 N LYS A 28 0.463 3.151 11.295 1.00 0.00 N ATOM 439 CA LYS A 28 0.356 3.887 12.550 1.00 0.00 C ATOM 440 C LYS A 28 1.726 4.373 13.037 1.00 0.00 C ATOM 441 O LYS A 28 1.806 5.417 13.680 1.00 0.00 O ATOM 442 CB LYS A 28 -0.334 3.018 13.613 1.00 0.00 C ATOM 443 CG LYS A 28 -0.775 3.845 14.826 1.00 0.00 C ATOM 444 CD LYS A 28 -1.441 2.942 15.870 1.00 0.00 C ATOM 445 CE LYS A 28 -2.164 3.781 16.933 1.00 0.00 C ATOM 446 NZ LYS A 28 -3.273 3.029 17.548 1.00 0.00 N ATOM 0 H LYS A 28 0.163 2.179 11.363 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.254 4.773 12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.202 2.527 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.347 2.231 13.938 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.087 4.347 15.266 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.470 4.623 14.511 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.151 2.275 15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.689 2.313 16.346 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.455 4.083 17.704 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.549 4.694 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.741 3.623 18.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.960 2.762 16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.901 2.171 18.002 1.00 0.00 H new ATOM 460 N ARG A 29 2.801 3.631 12.735 1.00 0.00 N ATOM 461 CA ARG A 29 4.151 3.984 13.154 1.00 0.00 C ATOM 462 C ARG A 29 4.614 5.260 12.458 1.00 0.00 C ATOM 463 O ARG A 29 5.109 6.175 13.114 1.00 0.00 O ATOM 464 CB ARG A 29 5.139 2.835 12.885 1.00 0.00 C ATOM 465 CG ARG A 29 4.691 1.481 13.449 1.00 0.00 C ATOM 466 CD ARG A 29 4.617 1.467 14.983 1.00 0.00 C ATOM 467 NE ARG A 29 5.640 0.593 15.573 1.00 0.00 N ATOM 468 CZ ARG A 29 5.639 -0.749 15.499 1.00 0.00 C ATOM 469 NH1 ARG A 29 4.660 -1.397 14.852 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.629 -1.444 16.073 1.00 0.00 N ATOM 0 H ARG A 29 2.751 2.769 12.192 1.00 0.00 H new ATOM 0 HA ARG A 29 4.129 4.162 14.229 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.284 2.739 11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.107 3.094 13.315 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.712 1.229 13.041 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.384 0.708 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.744 2.481 15.362 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.628 1.131 15.296 1.00 0.00 H new ATOM 0 HE ARG A 29 6.408 1.038 16.076 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.906 -0.871 14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.669 -2.416 14.802 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.378 -0.955 16.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.634 -2.463 16.020 1.00 0.00 H new ATOM 484 N LEU A 30 4.463 5.321 11.131 1.00 0.00 N ATOM 485 CA LEU A 30 4.917 6.461 10.345 1.00 0.00 C ATOM 486 C LEU A 30 3.953 7.636 10.485 1.00 0.00 C ATOM 487 O LEU A 30 4.388 8.779 10.610 1.00 0.00 O ATOM 488 CB LEU A 30 5.049 6.059 8.877 1.00 0.00 C ATOM 489 CG LEU A 30 5.927 4.820 8.665 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.771 4.409 7.206 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.393 5.096 9.001 1.00 0.00 C ATOM 0 H LEU A 30 4.025 4.584 10.579 1.00 0.00 H new ATOM 0 HA LEU A 30 5.891 6.774 10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.057 5.867 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.468 6.894 8.315 1.00 0.00 H new ATOM 0 HG LEU A 30 5.611 4.019 9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.381 3.527 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.725 4.179 7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.095 5.226 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.980 4.192 8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.769 5.894 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.476 5.399 10.045 1.00 0.00 H new ATOM 503 N GLY A 31 2.648 7.345 10.446 1.00 0.00 N ATOM 504 CA GLY A 31 1.581 8.328 10.538 1.00 0.00 C ATOM 505 C GLY A 31 1.072 8.785 9.171 1.00 0.00 C ATOM 506 O GLY A 31 0.287 9.729 9.100 1.00 0.00 O ATOM 0 H GLY A 31 2.303 6.390 10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.752 7.905 11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.939 9.194 11.095 1.00 0.00 H new ATOM 510 N LEU A 32 1.500 8.120 8.089 1.00 0.00 N ATOM 511 CA LEU A 32 1.020 8.388 6.740 1.00 0.00 C ATOM 512 C LEU A 32 -0.482 8.127 6.603 1.00 0.00 C ATOM 513 O LEU A 32 -1.109 7.530 7.477 1.00 0.00 O ATOM 514 CB LEU A 32 1.839 7.605 5.698 1.00 0.00 C ATOM 515 CG LEU A 32 1.533 6.111 5.482 1.00 0.00 C ATOM 516 CD1 LEU A 32 1.360 5.340 6.778 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.309 5.837 4.606 1.00 0.00 C ATOM 0 H LEU A 32 2.196 7.375 8.134 1.00 0.00 H new ATOM 0 HA LEU A 32 1.167 9.450 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.719 8.108 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.890 7.690 5.973 1.00 0.00 H new ATOM 0 HG LEU A 32 2.422 5.759 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.147 4.295 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.276 5.406 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.533 5.765 7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.167 4.761 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.574 6.279 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.462 6.276 3.620 1.00 0.00 H new ATOM 529 N THR A 33 -1.050 8.577 5.483 1.00 0.00 N ATOM 530 CA THR A 33 -2.475 8.482 5.202 1.00 0.00 C ATOM 531 C THR A 33 -2.657 7.820 3.840 1.00 0.00 C ATOM 532 O THR A 33 -1.794 7.958 2.974 1.00 0.00 O ATOM 533 CB THR A 33 -3.116 9.878 5.239 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.549 10.734 4.274 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.988 10.531 6.618 1.00 0.00 C ATOM 0 H THR A 33 -0.519 9.025 4.736 1.00 0.00 H new ATOM 0 HA THR A 33 -2.971 7.876 5.960 1.00 0.00 H new ATOM 0 HB THR A 33 -4.173 9.731 5.015 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.862 11.650 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.454 11.516 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.484 9.909 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.934 10.634 6.875 1.00 0.00 H new ATOM 543 N GLY A 34 -3.771 7.115 3.632 1.00 0.00 N ATOM 544 CA GLY A 34 -4.027 6.451 2.364 1.00 0.00 C ATOM 545 C GLY A 34 -5.092 5.380 2.491 1.00 0.00 C ATOM 546 O GLY A 34 -6.008 5.495 3.301 1.00 0.00 O ATOM 0 H GLY A 34 -4.506 6.993 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.340 7.188 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.104 6.003 1.996 1.00 0.00 H new ATOM 550 N TYR A 35 -4.952 4.336 1.674 1.00 0.00 N ATOM 551 CA TYR A 35 -5.793 3.146 1.754 1.00 0.00 C ATOM 552 C TYR A 35 -5.269 2.021 0.864 1.00 0.00 C ATOM 553 O TYR A 35 -4.420 2.260 0.011 1.00 0.00 O ATOM 554 CB TYR A 35 -7.244 3.465 1.367 1.00 0.00 C ATOM 555 CG TYR A 35 -7.427 3.852 -0.090 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.567 2.856 -1.074 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.383 5.206 -0.472 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.634 3.211 -2.430 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.515 5.561 -1.826 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.641 4.563 -2.805 1.00 0.00 C ATOM 561 OH TYR A 35 -7.771 4.902 -4.120 1.00 0.00 O ATOM 0 H TYR A 35 -4.249 4.294 0.936 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.763 2.812 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.865 2.595 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.606 4.278 1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.623 1.817 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.248 5.973 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.680 2.442 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.519 6.602 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.758 5.878 -4.209 1.00 0.00 H new ATOM 571 N ALA A 36 -5.813 0.807 1.050 1.00 0.00 N ATOM 572 CA ALA A 36 -5.432 -0.370 0.276 1.00 0.00 C ATOM 573 C ALA A 36 -6.661 -1.070 -0.317 1.00 0.00 C ATOM 574 O ALA A 36 -7.314 -1.824 0.401 1.00 0.00 O ATOM 575 CB ALA A 36 -4.645 -1.308 1.195 1.00 0.00 C ATOM 0 H ALA A 36 -6.533 0.621 1.748 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.810 -0.072 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.348 -2.197 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.756 -0.796 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.270 -1.600 2.039 1.00 0.00 H new ATOM 581 N LYS A 37 -6.968 -0.840 -1.606 1.00 0.00 N ATOM 582 CA LYS A 37 -8.076 -1.474 -2.325 1.00 0.00 C ATOM 583 C LYS A 37 -7.588 -2.620 -3.210 1.00 0.00 C ATOM 584 O LYS A 37 -6.391 -2.874 -3.283 1.00 0.00 O ATOM 585 CB LYS A 37 -8.902 -0.456 -3.139 1.00 0.00 C ATOM 586 CG LYS A 37 -10.176 -0.041 -2.382 1.00 0.00 C ATOM 587 CD LYS A 37 -11.240 0.618 -3.278 1.00 0.00 C ATOM 588 CE LYS A 37 -12.552 -0.192 -3.323 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.734 0.681 -3.445 1.00 0.00 N ATOM 0 H LYS A 37 -6.436 -0.191 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.739 -1.894 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.295 0.426 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.173 -0.890 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.609 -0.921 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.905 0.651 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.449 1.623 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.846 0.723 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.523 -0.883 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.638 -0.795 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.595 0.098 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.777 1.324 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.665 1.238 -4.321 1.00 0.00 H new ATOM 603 N ASN A 38 -8.529 -3.316 -3.866 1.00 0.00 N ATOM 604 CA ASN A 38 -8.270 -4.434 -4.764 1.00 0.00 C ATOM 605 C ASN A 38 -8.957 -4.178 -6.110 1.00 0.00 C ATOM 606 O ASN A 38 -10.095 -3.712 -6.143 1.00 0.00 O ATOM 607 CB ASN A 38 -8.738 -5.755 -4.134 1.00 0.00 C ATOM 608 CG ASN A 38 -8.042 -6.131 -2.831 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.183 -5.426 -2.315 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.436 -7.268 -2.266 1.00 0.00 N ATOM 0 H ASN A 38 -9.523 -3.103 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.197 -4.520 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.811 -5.692 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.585 -6.558 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.021 -7.570 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.153 -7.839 -2.714 1.00 0.00 H new ATOM 617 N LEU A 39 -8.256 -4.487 -7.209 1.00 0.00 N ATOM 618 CA LEU A 39 -8.766 -4.423 -8.574 1.00 0.00 C ATOM 619 C LEU A 39 -9.707 -5.596 -8.851 1.00 0.00 C ATOM 620 O LEU A 39 -9.860 -6.499 -8.030 1.00 0.00 O ATOM 621 CB LEU A 39 -7.603 -4.418 -9.591 1.00 0.00 C ATOM 622 CG LEU A 39 -6.980 -3.036 -9.848 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.870 -3.134 -10.904 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.014 -2.040 -10.391 1.00 0.00 C ATOM 0 H LEU A 39 -7.286 -4.798 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.326 -3.494 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.824 -5.092 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.964 -4.820 -10.537 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.590 -2.692 -8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.440 -2.147 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.093 -3.813 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.288 -3.513 -11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.536 -1.075 -10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.420 -2.413 -11.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.821 -1.923 -9.668 1.00 0.00 H new ATOM 636 N ASP A 40 -10.327 -5.571 -10.035 1.00 0.00 N ATOM 637 CA ASP A 40 -11.232 -6.604 -10.519 1.00 0.00 C ATOM 638 C ASP A 40 -10.508 -7.604 -11.437 1.00 0.00 C ATOM 639 O ASP A 40 -11.158 -8.433 -12.068 1.00 0.00 O ATOM 640 CB ASP A 40 -12.403 -5.901 -11.225 1.00 0.00 C ATOM 641 CG ASP A 40 -13.568 -6.842 -11.522 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.144 -7.360 -10.540 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.873 -7.011 -12.722 1.00 0.00 O ATOM 0 H ASP A 40 -10.206 -4.806 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.612 -7.198 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.756 -5.079 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.048 -5.464 -12.158 1.00 0.00 H new ATOM 648 N ASP A 41 -9.168 -7.541 -11.500 1.00 0.00 N ATOM 649 CA ASP A 41 -8.338 -8.390 -12.352 1.00 0.00 C ATOM 650 C ASP A 41 -7.422 -9.305 -11.533 1.00 0.00 C ATOM 651 O ASP A 41 -6.693 -10.110 -12.109 1.00 0.00 O ATOM 652 CB ASP A 41 -7.518 -7.500 -13.296 1.00 0.00 C ATOM 653 CG ASP A 41 -7.260 -8.187 -14.636 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.178 -8.130 -15.484 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.156 -8.749 -14.793 1.00 0.00 O ATOM 0 H ASP A 41 -8.624 -6.881 -10.944 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.990 -9.042 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.047 -6.562 -13.464 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.567 -7.250 -12.826 1.00 0.00 H new ATOM 660 N GLY A 42 -7.450 -9.185 -10.197 1.00 0.00 N ATOM 661 CA GLY A 42 -6.668 -9.991 -9.281 1.00 0.00 C ATOM 662 C GLY A 42 -5.477 -9.252 -8.673 1.00 0.00 C ATOM 663 O GLY A 42 -4.504 -9.893 -8.293 1.00 0.00 O ATOM 0 H GLY A 42 -8.039 -8.501 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.315 -10.342 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.306 -10.874 -9.807 1.00 0.00 H new ATOM 667 N SER A 43 -5.552 -7.922 -8.585 1.00 0.00 N ATOM 668 CA SER A 43 -4.473 -7.048 -8.114 1.00 0.00 C ATOM 669 C SER A 43 -4.893 -6.256 -6.864 1.00 0.00 C ATOM 670 O SER A 43 -6.081 -6.157 -6.575 1.00 0.00 O ATOM 671 CB SER A 43 -4.037 -6.138 -9.277 1.00 0.00 C ATOM 672 OG SER A 43 -3.735 -4.821 -8.862 1.00 0.00 O ATOM 0 H SER A 43 -6.392 -7.406 -8.848 1.00 0.00 H new ATOM 0 HA SER A 43 -3.618 -7.649 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.162 -6.571 -9.761 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.831 -6.105 -10.023 1.00 0.00 H new ATOM 0 HG SER A 43 -2.928 -4.830 -8.306 1.00 0.00 H new ATOM 678 N VAL A 44 -3.914 -5.710 -6.123 1.00 0.00 N ATOM 679 CA VAL A 44 -4.112 -4.907 -4.914 1.00 0.00 C ATOM 680 C VAL A 44 -3.482 -3.517 -5.072 1.00 0.00 C ATOM 681 O VAL A 44 -2.276 -3.418 -5.277 1.00 0.00 O ATOM 682 CB VAL A 44 -3.543 -5.665 -3.703 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.677 -4.853 -2.406 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.318 -6.975 -3.529 1.00 0.00 C ATOM 0 H VAL A 44 -2.929 -5.822 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.178 -4.750 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.485 -5.848 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.263 -5.424 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.133 -3.914 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.730 -4.644 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.922 -7.521 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.373 -6.755 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.211 -7.583 -4.427 1.00 0.00 H new ATOM 694 N GLU A 45 -4.280 -2.448 -4.955 1.00 0.00 N ATOM 695 CA GLU A 45 -3.843 -1.062 -5.083 1.00 0.00 C ATOM 696 C GLU A 45 -3.627 -0.425 -3.710 1.00 0.00 C ATOM 697 O GLU A 45 -4.569 -0.368 -2.925 1.00 0.00 O ATOM 698 CB GLU A 45 -4.908 -0.234 -5.813 1.00 0.00 C ATOM 699 CG GLU A 45 -5.519 -0.944 -7.022 1.00 0.00 C ATOM 700 CD GLU A 45 -6.115 0.074 -7.991 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.783 1.009 -7.499 1.00 0.00 O ATOM 702 OE2 GLU A 45 -5.876 -0.081 -9.206 1.00 0.00 O ATOM 0 H GLU A 45 -5.278 -2.532 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.908 -1.069 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.703 0.018 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.463 0.705 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.756 -1.535 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.292 -1.638 -6.692 1.00 0.00 H new ATOM 709 N VAL A 46 -2.421 0.080 -3.428 1.00 0.00 N ATOM 710 CA VAL A 46 -2.081 0.690 -2.145 1.00 0.00 C ATOM 711 C VAL A 46 -1.669 2.146 -2.365 1.00 0.00 C ATOM 712 O VAL A 46 -0.931 2.426 -3.302 1.00 0.00 O ATOM 713 CB VAL A 46 -0.956 -0.128 -1.494 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.564 0.437 -0.124 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.400 -1.586 -1.301 1.00 0.00 C ATOM 0 H VAL A 46 -1.648 0.075 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.941 0.688 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.097 -0.074 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.235 -0.169 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.218 1.464 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.429 0.418 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.593 -2.154 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.280 -1.616 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.643 -2.024 -2.269 1.00 0.00 H new ATOM 725 N VAL A 47 -2.135 3.070 -1.517 1.00 0.00 N ATOM 726 CA VAL A 47 -1.846 4.499 -1.618 1.00 0.00 C ATOM 727 C VAL A 47 -1.307 5.004 -0.281 1.00 0.00 C ATOM 728 O VAL A 47 -1.770 4.536 0.758 1.00 0.00 O ATOM 729 CB VAL A 47 -3.120 5.289 -1.960 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.772 6.688 -2.479 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.996 4.582 -3.003 1.00 0.00 C ATOM 0 H VAL A 47 -2.736 2.837 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.109 4.645 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.686 5.361 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.689 7.227 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.217 7.232 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.162 6.601 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.881 5.186 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.429 4.450 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.301 3.608 -2.622 1.00 0.00 H new ATOM 741 N ALA A 48 -0.345 5.938 -0.310 1.00 0.00 N ATOM 742 CA ALA A 48 0.292 6.410 0.916 1.00 0.00 C ATOM 743 C ALA A 48 0.864 7.814 0.728 1.00 0.00 C ATOM 744 O ALA A 48 1.494 8.064 -0.295 1.00 0.00 O ATOM 745 CB ALA A 48 1.434 5.450 1.256 1.00 0.00 C ATOM 0 H ALA A 48 0.003 6.375 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.447 6.444 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.927 5.781 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.034 4.446 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.155 5.438 0.438 1.00 0.00 H new ATOM 751 N CYS A 49 0.671 8.702 1.710 1.00 0.00 N ATOM 752 CA CYS A 49 1.118 10.097 1.701 1.00 0.00 C ATOM 753 C CYS A 49 2.342 10.329 2.588 1.00 0.00 C ATOM 754 O CYS A 49 2.862 9.402 3.198 1.00 0.00 O ATOM 755 CB CYS A 49 -0.067 10.965 2.123 1.00 0.00 C ATOM 756 SG CYS A 49 -1.331 11.175 0.841 1.00 0.00 S ATOM 0 H CYS A 49 0.178 8.456 2.568 1.00 0.00 H new ATOM 0 HA CYS A 49 1.444 10.368 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.531 10.523 3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.303 11.947 2.416 1.00 0.00 H new ATOM 761 N GLY A 50 2.813 11.579 2.647 1.00 0.00 N ATOM 762 CA GLY A 50 3.969 11.967 3.442 1.00 0.00 C ATOM 763 C GLY A 50 5.239 11.898 2.600 1.00 0.00 C ATOM 764 O GLY A 50 5.169 12.025 1.382 1.00 0.00 O ATOM 0 H GLY A 50 2.393 12.355 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.833 12.979 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.062 11.309 4.306 1.00 0.00 H new ATOM 768 N GLU A 51 6.393 11.707 3.250 1.00 0.00 N ATOM 769 CA GLU A 51 7.679 11.585 2.575 1.00 0.00 C ATOM 770 C GLU A 51 7.853 10.173 2.022 1.00 0.00 C ATOM 771 O GLU A 51 7.713 9.210 2.768 1.00 0.00 O ATOM 772 CB GLU A 51 8.828 11.898 3.542 1.00 0.00 C ATOM 773 CG GLU A 51 9.050 13.402 3.742 1.00 0.00 C ATOM 774 CD GLU A 51 10.515 13.715 4.043 1.00 0.00 C ATOM 775 OE1 GLU A 51 11.159 12.880 4.715 1.00 0.00 O ATOM 776 OE2 GLU A 51 10.969 14.786 3.582 1.00 0.00 O ATOM 0 H GLU A 51 6.455 11.633 4.265 1.00 0.00 H new ATOM 0 HA GLU A 51 7.701 12.301 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.620 11.436 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.746 11.448 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.738 13.939 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.425 13.758 4.561 1.00 0.00 H new ATOM 783 N GLU A 52 8.205 10.060 0.734 1.00 0.00 N ATOM 784 CA GLU A 52 8.418 8.797 0.034 1.00 0.00 C ATOM 785 C GLU A 52 9.330 7.867 0.843 1.00 0.00 C ATOM 786 O GLU A 52 8.971 6.724 1.118 1.00 0.00 O ATOM 787 CB GLU A 52 8.996 9.067 -1.369 1.00 0.00 C ATOM 788 CG GLU A 52 8.168 8.368 -2.453 1.00 0.00 C ATOM 789 CD GLU A 52 8.700 8.678 -3.850 1.00 0.00 C ATOM 790 OE1 GLU A 52 8.682 9.875 -4.212 1.00 0.00 O ATOM 791 OE2 GLU A 52 9.113 7.714 -4.531 1.00 0.00 O ATOM 0 H GLU A 52 8.353 10.874 0.137 1.00 0.00 H new ATOM 0 HA GLU A 52 7.459 8.292 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.014 10.140 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.028 8.718 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.184 7.291 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.128 8.686 -2.380 1.00 0.00 H new ATOM 798 N GLY A 53 10.497 8.384 1.246 1.00 0.00 N ATOM 799 CA GLY A 53 11.477 7.702 2.067 1.00 0.00 C ATOM 800 C GLY A 53 10.878 7.141 3.357 1.00 0.00 C ATOM 801 O GLY A 53 11.143 5.993 3.712 1.00 0.00 O ATOM 0 H GLY A 53 10.786 9.329 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.922 6.889 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.282 8.394 2.316 1.00 0.00 H new ATOM 805 N GLN A 54 10.069 7.942 4.062 1.00 0.00 N ATOM 806 CA GLN A 54 9.409 7.488 5.278 1.00 0.00 C ATOM 807 C GLN A 54 8.381 6.403 4.976 1.00 0.00 C ATOM 808 O GLN A 54 8.361 5.380 5.650 1.00 0.00 O ATOM 809 CB GLN A 54 8.736 8.638 6.040 1.00 0.00 C ATOM 810 CG GLN A 54 9.642 9.220 7.140 1.00 0.00 C ATOM 811 CD GLN A 54 8.847 9.712 8.349 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.891 10.890 8.691 1.00 0.00 O ATOM 813 NE2 GLN A 54 8.137 8.799 9.020 1.00 0.00 N ATOM 0 H GLN A 54 9.860 8.907 3.806 1.00 0.00 H new ATOM 0 HA GLN A 54 10.191 7.074 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.467 9.428 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.809 8.281 6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.353 8.459 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.223 10.046 6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.125 7.829 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.607 9.072 9.847 1.00 0.00 H new ATOM 822 N VAL A 55 7.539 6.615 3.963 1.00 0.00 N ATOM 823 CA VAL A 55 6.574 5.622 3.508 1.00 0.00 C ATOM 824 C VAL A 55 7.270 4.296 3.166 1.00 0.00 C ATOM 825 O VAL A 55 6.688 3.233 3.374 1.00 0.00 O ATOM 826 CB VAL A 55 5.749 6.182 2.341 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.751 5.148 1.820 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.938 7.411 2.765 1.00 0.00 C ATOM 0 H VAL A 55 7.510 7.487 3.434 1.00 0.00 H new ATOM 0 HA VAL A 55 5.877 5.401 4.317 1.00 0.00 H new ATOM 0 HB VAL A 55 6.467 6.448 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.182 5.575 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.289 4.266 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.069 4.864 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.366 7.781 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.255 7.137 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.615 8.191 3.114 1.00 0.00 H new ATOM 838 N GLU A 56 8.527 4.341 2.706 1.00 0.00 N ATOM 839 CA GLU A 56 9.299 3.150 2.380 1.00 0.00 C ATOM 840 C GLU A 56 9.480 2.202 3.572 1.00 0.00 C ATOM 841 O GLU A 56 9.540 0.988 3.377 1.00 0.00 O ATOM 842 CB GLU A 56 10.642 3.521 1.740 1.00 0.00 C ATOM 843 CG GLU A 56 10.799 2.816 0.388 1.00 0.00 C ATOM 844 CD GLU A 56 12.208 2.951 -0.182 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.888 3.938 0.177 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.577 2.054 -0.971 1.00 0.00 O ATOM 0 H GLU A 56 9.034 5.213 2.551 1.00 0.00 H new ATOM 0 HA GLU A 56 8.716 2.594 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.702 4.601 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.459 3.237 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.557 1.759 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.083 3.232 -0.320 1.00 0.00 H new ATOM 853 N LYS A 57 9.542 2.738 4.800 1.00 0.00 N ATOM 854 CA LYS A 57 9.654 1.946 6.021 1.00 0.00 C ATOM 855 C LYS A 57 8.533 0.909 6.134 1.00 0.00 C ATOM 856 O LYS A 57 8.798 -0.189 6.610 1.00 0.00 O ATOM 857 CB LYS A 57 9.646 2.860 7.248 1.00 0.00 C ATOM 858 CG LYS A 57 10.981 3.592 7.440 1.00 0.00 C ATOM 859 CD LYS A 57 10.771 4.957 8.106 1.00 0.00 C ATOM 860 CE LYS A 57 12.096 5.720 8.243 1.00 0.00 C ATOM 861 NZ LYS A 57 12.348 6.123 9.637 1.00 0.00 N ATOM 0 H LYS A 57 9.515 3.744 4.969 1.00 0.00 H new ATOM 0 HA LYS A 57 10.601 1.408 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.845 3.592 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.428 2.268 8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.648 2.984 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.468 3.726 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.068 5.547 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.325 4.819 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.915 5.093 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.075 6.604 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.251 6.636 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.578 6.741 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.393 5.277 10.240 1.00 0.00 H new ATOM 875 N LEU A 58 7.304 1.227 5.704 1.00 0.00 N ATOM 876 CA LEU A 58 6.220 0.248 5.681 1.00 0.00 C ATOM 877 C LEU A 58 6.257 -0.581 4.398 1.00 0.00 C ATOM 878 O LEU A 58 5.875 -1.751 4.404 1.00 0.00 O ATOM 879 CB LEU A 58 4.852 0.907 5.920 1.00 0.00 C ATOM 880 CG LEU A 58 4.113 1.450 4.681 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.117 0.410 4.150 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.332 2.722 5.020 1.00 0.00 C ATOM 0 H LEU A 58 7.041 2.154 5.369 1.00 0.00 H new ATOM 0 HA LEU A 58 6.373 -0.442 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.205 0.178 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.990 1.731 6.621 1.00 0.00 H new ATOM 0 HG LEU A 58 4.868 1.671 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.604 0.810 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.652 -0.498 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.386 0.178 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.820 3.083 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.598 2.503 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.021 3.487 5.378 1.00 0.00 H new ATOM 894 N MET A 59 6.717 0.020 3.292 1.00 0.00 N ATOM 895 CA MET A 59 6.760 -0.649 2.003 1.00 0.00 C ATOM 896 C MET A 59 7.735 -1.820 1.996 1.00 0.00 C ATOM 897 O MET A 59 7.594 -2.697 1.145 1.00 0.00 O ATOM 898 CB MET A 59 7.054 0.320 0.856 1.00 0.00 C ATOM 899 CG MET A 59 6.071 1.499 0.779 1.00 0.00 C ATOM 900 SD MET A 59 4.990 1.517 -0.675 1.00 0.00 S ATOM 901 CE MET A 59 6.217 1.902 -1.951 1.00 0.00 C ATOM 0 H MET A 59 7.066 0.978 3.275 1.00 0.00 H new ATOM 0 HA MET A 59 5.762 -1.054 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.066 0.708 0.970 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.027 -0.227 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.448 1.490 1.673 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.642 2.427 0.798 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.724 1.971 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.697 2.853 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.969 1.114 -1.982 1.00 0.00 H new ATOM 911 N GLN A 60 8.689 -1.860 2.937 1.00 0.00 N ATOM 912 CA GLN A 60 9.592 -2.992 3.086 1.00 0.00 C ATOM 913 C GLN A 60 8.787 -4.293 3.035 1.00 0.00 C ATOM 914 O GLN A 60 9.070 -5.169 2.196 1.00 0.00 O ATOM 915 CB GLN A 60 10.458 -2.827 4.354 1.00 0.00 C ATOM 916 CG GLN A 60 9.760 -3.109 5.695 1.00 0.00 C ATOM 917 CD GLN A 60 10.637 -2.802 6.913 1.00 0.00 C ATOM 918 OE1 GLN A 60 10.163 -2.260 7.908 1.00 0.00 O ATOM 919 NE2 GLN A 60 11.919 -3.172 6.862 1.00 0.00 N ATOM 0 H GLN A 60 8.850 -1.109 3.609 1.00 0.00 H new ATOM 0 HA GLN A 60 10.299 -3.034 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.319 -3.491 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.843 -1.807 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.848 -2.515 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.460 -4.156 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.287 -3.620 6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.530 -3.006 7.662 1.00 0.00 H new ATOM 928 N TRP A 61 7.724 -4.387 3.853 1.00 0.00 N ATOM 929 CA TRP A 61 6.947 -5.607 3.938 1.00 0.00 C ATOM 930 C TRP A 61 6.124 -5.857 2.683 1.00 0.00 C ATOM 931 O TRP A 61 5.940 -7.010 2.299 1.00 0.00 O ATOM 932 CB TRP A 61 6.031 -5.425 5.207 1.00 0.00 C ATOM 933 CG TRP A 61 4.774 -6.208 5.143 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.617 -7.533 5.353 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.484 -5.702 4.742 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.308 -7.888 5.086 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.571 -6.790 4.688 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.008 -4.424 4.392 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.238 -6.614 4.309 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.660 -4.229 4.046 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.777 -5.322 3.999 1.00 0.00 C ATOM 0 H TRP A 61 7.396 -3.632 4.455 1.00 0.00 H new ATOM 0 HA TRP A 61 7.593 -6.481 4.024 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.590 -5.721 6.095 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.787 -4.369 5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.393 -8.210 5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.936 -8.834 5.171 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.687 -3.584 4.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.569 -7.460 4.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.301 -3.237 3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.256 -5.169 3.725 1.00 0.00 H new ATOM 952 N LEU A 62 5.624 -4.789 2.024 1.00 0.00 N ATOM 953 CA LEU A 62 4.873 -4.896 0.767 1.00 0.00 C ATOM 954 C LEU A 62 5.708 -5.633 -0.279 1.00 0.00 C ATOM 955 O LEU A 62 5.253 -6.636 -0.829 1.00 0.00 O ATOM 956 CB LEU A 62 4.426 -3.513 0.241 1.00 0.00 C ATOM 957 CG LEU A 62 3.109 -2.999 0.853 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.026 -1.467 0.851 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.893 -3.486 0.057 1.00 0.00 C ATOM 0 H LEU A 62 5.733 -3.830 2.354 1.00 0.00 H new ATOM 0 HA LEU A 62 3.967 -5.468 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.214 -2.788 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.313 -3.568 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 62 3.101 -3.385 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.080 -1.153 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.851 -1.057 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.088 -1.101 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.981 -3.105 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.961 -3.124 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.871 -4.576 0.057 1.00 0.00 H new ATOM 1101 N VAL A 72 3.492 -12.383 -5.738 1.00 0.00 N ATOM 1102 CA VAL A 72 3.620 -11.043 -6.293 1.00 0.00 C ATOM 1103 C VAL A 72 4.351 -11.139 -7.636 1.00 0.00 C ATOM 1104 O VAL A 72 5.580 -11.112 -7.675 1.00 0.00 O ATOM 1105 CB VAL A 72 4.350 -10.126 -5.290 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.506 -8.706 -5.851 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.589 -10.023 -3.961 1.00 0.00 C ATOM 0 HA VAL A 72 2.639 -10.601 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 72 5.329 -10.575 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.024 -8.082 -5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.084 -8.741 -6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.521 -8.285 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.133 -9.369 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.595 -9.613 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.497 -11.014 -3.517 1.00 0.00 H new ATOM 1117 N GLU A 73 3.592 -11.260 -8.735 1.00 0.00 N ATOM 1118 CA GLU A 73 4.127 -11.311 -10.089 1.00 0.00 C ATOM 1119 C GLU A 73 4.994 -10.085 -10.376 1.00 0.00 C ATOM 1120 O GLU A 73 6.169 -10.229 -10.710 1.00 0.00 O ATOM 1121 CB GLU A 73 2.996 -11.484 -11.121 1.00 0.00 C ATOM 1122 CG GLU A 73 3.394 -12.451 -12.245 1.00 0.00 C ATOM 1123 CD GLU A 73 2.278 -12.596 -13.275 1.00 0.00 C ATOM 1124 OE1 GLU A 73 2.038 -11.601 -13.994 1.00 0.00 O ATOM 1125 OE2 GLU A 73 1.689 -13.698 -13.328 1.00 0.00 O ATOM 0 H GLU A 73 2.575 -11.326 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 73 4.772 -12.186 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.101 -11.856 -10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.742 -10.514 -11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.298 -12.090 -12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.629 -13.427 -11.821 1.00 0.00 H new ATOM 1132 N ARG A 74 4.414 -8.889 -10.217 1.00 0.00 N ATOM 1133 CA ARG A 74 5.069 -7.605 -10.446 1.00 0.00 C ATOM 1134 C ARG A 74 4.356 -6.506 -9.657 1.00 0.00 C ATOM 1135 O ARG A 74 3.221 -6.691 -9.227 1.00 0.00 O ATOM 1136 CB ARG A 74 5.043 -7.258 -11.942 1.00 0.00 C ATOM 1137 CG ARG A 74 6.203 -7.893 -12.721 1.00 0.00 C ATOM 1138 CD ARG A 74 6.310 -7.299 -14.129 1.00 0.00 C ATOM 1139 NE ARG A 74 5.024 -7.332 -14.839 1.00 0.00 N ATOM 1140 CZ ARG A 74 4.399 -8.437 -15.281 1.00 0.00 C ATOM 1141 NH1 ARG A 74 4.975 -9.644 -15.189 1.00 0.00 N ATOM 1142 NH2 ARG A 74 3.177 -8.329 -15.818 1.00 0.00 N ATOM 0 H ARG A 74 3.445 -8.790 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 74 6.104 -7.677 -10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.098 -7.591 -12.371 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.082 -6.175 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.137 -7.733 -12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.054 -8.971 -12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.661 -6.269 -14.062 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.054 -7.853 -14.701 1.00 0.00 H new ATOM 0 HE ARG A 74 4.565 -6.438 -15.012 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.904 -9.736 -14.778 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.484 -10.471 -15.530 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.730 -7.415 -15.888 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.693 -9.161 -16.157 1.00 0.00 H new ATOM 1156 N VAL A 75 5.040 -5.369 -9.462 1.00 0.00 N ATOM 1157 CA VAL A 75 4.533 -4.220 -8.718 1.00 0.00 C ATOM 1158 C VAL A 75 4.903 -2.926 -9.457 1.00 0.00 C ATOM 1159 O VAL A 75 6.064 -2.756 -9.824 1.00 0.00 O ATOM 1160 CB VAL A 75 5.121 -4.224 -7.293 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.470 -3.143 -6.420 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.901 -5.575 -6.604 1.00 0.00 C ATOM 0 H VAL A 75 5.981 -5.225 -9.828 1.00 0.00 H new ATOM 0 HA VAL A 75 3.447 -4.279 -8.643 1.00 0.00 H new ATOM 0 HB VAL A 75 6.188 -4.028 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.906 -3.171 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.644 -2.163 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.398 -3.326 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.327 -5.546 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.833 -5.780 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.387 -6.361 -7.182 1.00 0.00 H new ATOM 1172 N LEU A 76 3.936 -2.019 -9.665 1.00 0.00 N ATOM 1173 CA LEU A 76 4.123 -0.736 -10.345 1.00 0.00 C ATOM 1174 C LEU A 76 3.916 0.431 -9.373 1.00 0.00 C ATOM 1175 O LEU A 76 3.114 0.302 -8.456 1.00 0.00 O ATOM 1176 CB LEU A 76 3.099 -0.622 -11.485 1.00 0.00 C ATOM 1177 CG LEU A 76 3.669 0.127 -12.696 1.00 0.00 C ATOM 1178 CD1 LEU A 76 4.502 -0.834 -13.552 1.00 0.00 C ATOM 1179 CD2 LEU A 76 2.527 0.708 -13.536 1.00 0.00 C ATOM 0 H LEU A 76 2.976 -2.166 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 76 5.140 -0.691 -10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.784 -1.620 -11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.210 -0.104 -11.124 1.00 0.00 H new ATOM 0 HG LEU A 76 4.303 0.941 -12.345 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.906 -0.299 -14.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.322 -1.234 -12.956 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.871 -1.653 -13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.940 1.238 -14.394 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.884 -0.100 -13.884 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.944 1.400 -12.928 1.00 0.00 H new ATOM 1191 N SER A 77 4.622 1.554 -9.571 1.00 0.00 N ATOM 1192 CA SER A 77 4.556 2.721 -8.683 1.00 0.00 C ATOM 1193 C SER A 77 4.478 4.029 -9.482 1.00 0.00 C ATOM 1194 O SER A 77 5.249 4.186 -10.427 1.00 0.00 O ATOM 1195 CB SER A 77 5.791 2.745 -7.765 1.00 0.00 C ATOM 1196 OG SER A 77 6.661 1.651 -7.986 1.00 0.00 O ATOM 0 H SER A 77 5.259 1.677 -10.358 1.00 0.00 H new ATOM 0 HA SER A 77 3.651 2.638 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.337 3.675 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.465 2.739 -6.725 1.00 0.00 H new ATOM 0 HG SER A 77 7.428 1.715 -7.380 1.00 0.00 H new ATOM 1202 N GLU A 78 3.597 4.969 -9.097 1.00 0.00 N ATOM 1203 CA GLU A 78 3.419 6.252 -9.797 1.00 0.00 C ATOM 1204 C GLU A 78 3.154 7.403 -8.814 1.00 0.00 C ATOM 1205 O GLU A 78 2.666 7.155 -7.711 1.00 0.00 O ATOM 1206 CB GLU A 78 2.262 6.145 -10.809 1.00 0.00 C ATOM 1207 CG GLU A 78 2.668 5.525 -12.158 1.00 0.00 C ATOM 1208 CD GLU A 78 3.683 6.367 -12.934 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.236 7.333 -13.589 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.885 6.035 -12.862 1.00 0.00 O ATOM 0 H GLU A 78 2.986 4.859 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 78 4.346 6.474 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.463 5.546 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.854 7.140 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.088 4.534 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.776 5.389 -12.770 1.00 0.00 H new ATOM 1217 N PRO A 79 3.439 8.661 -9.211 1.00 0.00 N ATOM 1218 CA PRO A 79 3.226 9.855 -8.400 1.00 0.00 C ATOM 1219 C PRO A 79 1.731 10.116 -8.202 1.00 0.00 C ATOM 1220 O PRO A 79 0.996 10.251 -9.178 1.00 0.00 O ATOM 1221 CB PRO A 79 3.905 10.995 -9.165 1.00 0.00 C ATOM 1222 CG PRO A 79 3.807 10.549 -10.621 1.00 0.00 C ATOM 1223 CD PRO A 79 3.980 9.037 -10.510 1.00 0.00 C ATOM 0 HA PRO A 79 3.645 9.751 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.399 11.947 -9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.941 11.127 -8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.848 10.817 -11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.582 11.003 -11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.453 8.525 -11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.031 8.758 -10.590 1.00 0.00 H new ATOM 1231 N HIS A 80 1.283 10.186 -6.941 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.113 10.408 -6.590 1.00 0.00 C ATOM 1233 C HIS A 80 -0.270 11.797 -5.964 1.00 0.00 C ATOM 1234 O HIS A 80 0.241 12.032 -4.875 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.554 9.296 -5.625 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.037 9.061 -5.584 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.917 9.205 -4.541 1.00 0.00 N flip ATOM 1238 CD2 HIS A 80 -2.736 8.557 -6.667 1.00 0.00 C flip ATOM 1239 CE1 HIS A 80 -4.159 8.790 -4.980 1.00 0.00 C flip ATOM 1240 NE2 HIS A 80 -4.005 8.407 -6.258 1.00 0.00 N flip ATOM 0 H HIS A 80 1.894 10.088 -6.130 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.747 10.374 -7.476 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.059 8.367 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.210 9.546 -4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.339 8.330 -7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.075 8.776 -4.408 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.758 8.047 -6.844 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.966 12.727 -6.629 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.171 14.070 -6.086 1.00 0.00 C ATOM 1251 C HIS A 81 -2.663 14.351 -5.849 1.00 0.00 C ATOM 1252 O HIS A 81 -3.251 15.155 -6.570 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.513 15.097 -7.020 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.220 16.429 -6.369 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.428 17.456 -7.039 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.444 16.850 -5.082 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.588 18.448 -6.148 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.081 18.120 -4.950 1.00 0.00 N ATOM 0 H HIS A 81 -1.395 12.572 -7.541 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.694 14.149 -5.109 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.419 14.679 -7.402 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.165 15.260 -7.878 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.944 16.286 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.065 19.392 -6.368 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.083 18.695 -4.108 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.296 13.701 -4.857 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.723 13.832 -4.600 1.00 0.00 C ATOM 1269 C PRO A 82 -5.044 15.205 -4.005 1.00 0.00 C ATOM 1270 O PRO A 82 -4.239 15.769 -3.262 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.064 12.697 -3.629 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.760 12.501 -2.858 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.700 12.758 -3.928 1.00 0.00 C ATOM 0 HA PRO A 82 -5.314 13.760 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.888 12.966 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.361 11.790 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.673 13.198 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.682 11.496 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.790 13.165 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.423 11.833 -4.434 1.00 0.00 H new ATOM 1281 N SER A 83 -6.223 15.743 -4.342 1.00 0.00 N ATOM 1282 CA SER A 83 -6.693 17.028 -3.847 1.00 0.00 C ATOM 1283 C SER A 83 -7.094 16.927 -2.372 1.00 0.00 C ATOM 1284 O SER A 83 -7.634 15.910 -1.940 1.00 0.00 O ATOM 1285 CB SER A 83 -7.858 17.535 -4.706 1.00 0.00 C ATOM 1286 OG SER A 83 -8.915 16.598 -4.741 1.00 0.00 O ATOM 0 H SER A 83 -6.880 15.286 -4.975 1.00 0.00 H new ATOM 0 HA SER A 83 -5.879 17.749 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.222 18.482 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.508 17.729 -5.720 1.00 0.00 H new ATOM 0 HG SER A 83 -9.644 16.948 -5.294 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.810 17.989 -1.608 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.037 18.052 -0.172 1.00 0.00 C ATOM 1294 C GLY A 84 -6.118 17.105 0.598 1.00 0.00 C ATOM 1295 O GLY A 84 -5.436 16.262 0.016 1.00 0.00 O ATOM 0 H GLY A 84 -6.406 18.845 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.878 19.073 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.076 17.801 0.042 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.111 17.257 1.926 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.355 16.401 2.827 1.00 0.00 C ATOM 1301 C GLU A 85 -6.273 15.296 3.351 1.00 0.00 C ATOM 1302 O GLU A 85 -7.420 15.560 3.711 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.703 17.232 3.944 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.666 17.662 5.057 1.00 0.00 C ATOM 1305 CD GLU A 85 -4.982 18.615 6.032 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -4.814 19.793 5.647 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -4.628 18.149 7.135 1.00 0.00 O ATOM 0 H GLU A 85 -6.638 17.988 2.404 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.533 15.921 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.892 16.652 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.255 18.123 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.539 18.147 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.024 16.783 5.593 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.777 14.055 3.371 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.530 12.913 3.868 1.00 0.00 C ATOM 1316 C LEU A 86 -6.475 12.896 5.398 1.00 0.00 C ATOM 1317 O LEU A 86 -5.504 13.368 5.988 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.953 11.637 3.245 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.732 10.347 3.548 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -8.199 10.410 3.106 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -6.067 9.204 2.782 1.00 0.00 C ATOM 0 H LEU A 86 -4.841 13.820 3.041 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.580 12.980 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.908 11.769 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.928 11.513 3.594 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.716 10.202 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.693 9.469 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.701 11.227 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.248 10.579 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.601 8.275 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.094 9.418 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.031 9.103 3.106 1.00 0.00 H new ATOM 1333 N THR A 87 -7.521 12.360 6.037 1.00 0.00 N ATOM 1334 CA THR A 87 -7.636 12.268 7.483 1.00 0.00 C ATOM 1335 C THR A 87 -6.692 11.172 7.978 1.00 0.00 C ATOM 1336 O THR A 87 -5.633 11.474 8.524 1.00 0.00 O ATOM 1337 CB THR A 87 -9.108 12.018 7.887 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.895 11.651 6.766 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.713 13.262 8.545 1.00 0.00 C ATOM 0 H THR A 87 -8.325 11.971 5.545 1.00 0.00 H new ATOM 0 HA THR A 87 -7.343 13.206 7.955 1.00 0.00 H new ATOM 0 HB THR A 87 -9.110 11.196 8.603 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.820 11.498 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.748 13.061 8.820 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.143 13.515 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.679 14.097 7.845 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.086 9.909 7.778 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.384 8.737 8.290 1.00 0.00 C ATOM 1349 C ASP A 88 -6.401 7.618 7.250 1.00 0.00 C ATOM 1350 O ASP A 88 -7.200 7.643 6.312 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.042 8.269 9.596 1.00 0.00 C ATOM 1352 CG ASP A 88 -6.959 9.327 10.693 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -5.830 9.557 11.177 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.027 9.888 11.026 1.00 0.00 O ATOM 0 H ASP A 88 -7.922 9.673 7.243 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.346 9.001 8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.087 8.025 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.558 7.354 9.938 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.524 6.624 7.433 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.470 5.440 6.587 1.00 0.00 C ATOM 1361 C PHE A 89 -6.697 4.550 6.816 1.00 0.00 C ATOM 1362 O PHE A 89 -7.208 4.481 7.933 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.152 4.693 6.823 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.030 3.361 6.109 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.509 2.194 6.730 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.471 3.286 4.817 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.474 0.970 6.045 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.408 2.050 4.147 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.931 0.896 4.755 1.00 0.00 C ATOM 0 H PHE A 89 -4.829 6.625 8.180 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.496 5.742 5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.328 5.333 6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.034 4.526 7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.904 2.240 7.734 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.091 4.178 4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.867 0.080 6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.958 1.988 3.167 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.915 -0.047 4.229 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.163 3.869 5.759 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.290 2.940 5.826 1.00 0.00 C ATOM 1381 C ARG A 90 -8.062 1.736 4.905 1.00 0.00 C ATOM 1382 O ARG A 90 -6.963 1.549 4.389 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.606 3.683 5.533 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.760 4.081 4.058 1.00 0.00 C ATOM 1385 CD ARG A 90 -11.000 4.950 3.837 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.810 6.274 4.442 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.597 7.345 4.250 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.690 7.269 3.478 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.276 8.502 4.844 1.00 0.00 N ATOM 0 H ARG A 90 -6.760 3.952 4.825 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.368 2.538 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.445 3.050 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.655 4.579 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.872 4.623 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.829 3.183 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.193 5.055 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.874 4.466 4.273 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.009 6.391 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.935 6.388 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.277 8.092 3.343 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.444 8.560 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.863 9.325 4.708 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.095 0.909 4.702 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.061 -0.241 3.802 1.00 0.00 C ATOM 1405 C ILE A 91 -10.288 -0.200 2.891 1.00 0.00 C ATOM 1406 O ILE A 91 -11.015 0.792 2.862 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.946 -1.559 4.604 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -10.194 -1.826 5.470 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.683 -1.512 5.463 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.082 -3.109 6.299 1.00 0.00 C ATOM 0 H ILE A 91 -9.994 1.026 5.170 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.176 -0.196 3.168 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.879 -2.387 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.353 -0.980 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.070 -1.892 4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.595 -2.438 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.810 -1.396 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.742 -0.668 6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.990 -3.243 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.952 -3.962 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.224 -3.036 6.968 1.00 0.00 H new