USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HE2:sc= -0.974 K(o=0.083,f=-0.52) USER MOD Set 1.2: A 77 SER OG : rot 103:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 30:sc= -0.173 USER MOD Single : A 8 HIS : no HD1:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : A 9 SER OG : rot -160:sc= -0.244 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 24 ASN : amide:sc= -3.16! C(o=-3.2!,f=-9!) USER MOD Single : A 26 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.73) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 32 THR OG1 : rot -170:sc= -1.9 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0503 (180deg=-0.377) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -24:sc= -0.0216 USER MOD Single : A 42 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.072) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= 0.162 (180deg=-2.36!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.3) USER MOD Single : A 70 THR OG1 : rot 100:sc= 0.469 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.3! C(o=-1.3!,f=-8.5!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 167:sc= -3.02! USER MOD Single : A 87 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.028) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0328) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.751 -0.532 -18.566 1.00 0.00 N ATOM 2 CA GLY A 1 6.749 0.559 -18.735 1.00 0.00 C ATOM 3 C GLY A 1 7.191 1.152 -17.412 1.00 0.00 C ATOM 4 O GLY A 1 7.952 0.530 -16.668 1.00 0.00 O ATOM 0 H1 GLY A 1 5.481 -0.904 -19.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.166 -1.296 -17.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.908 -0.159 -18.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.619 0.172 -19.265 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.321 1.345 -19.357 1.00 0.00 H new ATOM 8 N SER A 2 6.715 2.357 -17.116 1.00 0.00 N ATOM 9 CA SER A 2 7.065 3.034 -15.873 1.00 0.00 C ATOM 10 C SER A 2 6.037 2.741 -14.785 1.00 0.00 C ATOM 11 O SER A 2 6.392 2.516 -13.629 1.00 0.00 O ATOM 12 CB SER A 2 7.166 4.544 -16.101 1.00 0.00 C ATOM 13 OG SER A 2 5.935 5.074 -16.564 1.00 0.00 O ATOM 0 H SER A 2 6.085 2.885 -17.721 1.00 0.00 H new ATOM 0 HA SER A 2 8.033 2.657 -15.544 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.451 5.037 -15.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.952 4.754 -16.827 1.00 0.00 H new ATOM 0 HG SER A 2 6.025 6.040 -16.700 1.00 0.00 H new ATOM 19 N TYR A 3 4.762 2.745 -15.169 1.00 0.00 N ATOM 20 CA TYR A 3 3.672 2.481 -14.234 1.00 0.00 C ATOM 21 C TYR A 3 3.649 3.518 -13.113 1.00 0.00 C ATOM 22 O TYR A 3 4.472 3.476 -12.197 1.00 0.00 O ATOM 23 CB TYR A 3 3.802 1.074 -13.644 1.00 0.00 C ATOM 24 CG TYR A 3 2.649 0.678 -12.751 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.499 0.108 -13.283 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.708 0.874 -11.377 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.441 -0.254 -12.470 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.655 0.513 -10.559 1.00 0.00 C ATOM 29 CZ TYR A 3 0.525 -0.050 -11.111 1.00 0.00 C ATOM 30 OH TYR A 3 -0.526 -0.411 -10.299 1.00 0.00 O ATOM 0 H TYR A 3 4.458 2.929 -16.125 1.00 0.00 H new ATOM 0 HA TYR A 3 2.734 2.549 -14.785 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.882 0.354 -14.459 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.729 1.014 -13.073 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.430 -0.055 -14.348 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.592 1.316 -10.941 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.447 -0.695 -12.899 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.717 0.671 -9.492 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.998 -1.173 -10.695 1.00 0.00 H new ATOM 40 N TRP A 4 2.701 4.447 -13.191 1.00 0.00 N ATOM 41 CA TRP A 4 2.575 5.495 -12.184 1.00 0.00 C ATOM 42 C TRP A 4 1.105 5.841 -11.936 1.00 0.00 C ATOM 43 O TRP A 4 0.499 6.580 -12.712 1.00 0.00 O ATOM 44 CB TRP A 4 3.338 6.746 -12.627 1.00 0.00 C ATOM 45 CG TRP A 4 3.314 7.849 -11.613 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.421 8.879 -11.543 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.229 8.035 -10.526 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.722 9.692 -10.477 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.827 9.194 -9.838 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.346 7.331 -10.068 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.505 9.667 -8.716 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.017 7.801 -8.955 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.595 8.958 -8.290 1.00 0.00 C ATOM 0 H TRP A 4 2.010 4.495 -13.940 1.00 0.00 H new ATOM 0 HA TRP A 4 3.003 5.125 -11.252 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.373 6.476 -12.835 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.910 7.112 -13.561 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.598 9.032 -12.226 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.207 10.530 -10.206 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.678 6.437 -10.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.182 10.560 -8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.882 7.266 -8.592 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.141 9.298 -7.423 1.00 0.00 H new ATOM 64 N PRO A 5 0.511 5.304 -10.853 1.00 0.00 N ATOM 65 CA PRO A 5 -0.893 5.569 -10.511 1.00 0.00 C ATOM 66 C PRO A 5 -1.167 7.056 -10.302 1.00 0.00 C ATOM 67 O PRO A 5 -0.243 7.869 -10.283 1.00 0.00 O ATOM 68 CB PRO A 5 -1.102 4.799 -9.201 1.00 0.00 C ATOM 69 CG PRO A 5 -0.022 3.774 -9.179 1.00 0.00 C ATOM 70 CD PRO A 5 1.149 4.397 -9.883 1.00 0.00 C ATOM 0 HA PRO A 5 -1.567 5.261 -11.310 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.034 5.462 -8.339 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.088 4.334 -9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.237 3.501 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.340 2.861 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.795 4.937 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.767 3.648 -10.378 1.00 0.00 H new ATOM 78 N ALA A 6 -2.441 7.404 -10.143 1.00 0.00 N ATOM 79 CA ALA A 6 -2.826 8.795 -9.938 1.00 0.00 C ATOM 80 C ALA A 6 -2.495 9.260 -8.523 1.00 0.00 C ATOM 81 O ALA A 6 -1.403 9.770 -8.269 1.00 0.00 O ATOM 82 CB ALA A 6 -4.309 8.983 -10.228 1.00 0.00 C ATOM 0 H ALA A 6 -3.220 6.745 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.252 9.408 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.581 10.027 -10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.516 8.706 -11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.893 8.351 -9.560 1.00 0.00 H new ATOM 88 N ARG A 7 -3.439 9.076 -7.603 1.00 0.00 N ATOM 89 CA ARG A 7 -3.240 9.479 -6.214 1.00 0.00 C ATOM 90 C ARG A 7 -3.968 8.536 -5.260 1.00 0.00 C ATOM 91 O ARG A 7 -3.360 7.646 -4.668 1.00 0.00 O ATOM 92 CB ARG A 7 -3.724 10.916 -5.994 1.00 0.00 C ATOM 93 CG ARG A 7 -2.938 11.952 -6.779 1.00 0.00 C ATOM 94 CD ARG A 7 -3.437 13.361 -6.498 1.00 0.00 C ATOM 95 NE ARG A 7 -2.677 14.368 -7.232 1.00 0.00 N ATOM 96 CZ ARG A 7 -2.847 15.677 -7.080 1.00 0.00 C ATOM 97 NH1 ARG A 7 -3.748 16.137 -6.222 1.00 0.00 N ATOM 98 NH2 ARG A 7 -2.116 16.529 -7.785 1.00 0.00 N ATOM 0 H ARG A 7 -4.347 8.652 -7.794 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.172 9.428 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.776 10.983 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.661 11.153 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.881 11.881 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.020 11.742 -7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.490 13.433 -6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.368 13.563 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.975 14.049 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.312 15.485 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.876 17.142 -6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.422 16.180 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.248 17.534 -7.667 1.00 0.00 H new ATOM 112 N HIS A 8 -5.275 8.733 -5.119 1.00 0.00 N ATOM 113 CA HIS A 8 -6.083 7.899 -4.236 1.00 0.00 C ATOM 114 C HIS A 8 -6.406 6.562 -4.894 1.00 0.00 C ATOM 115 O HIS A 8 -7.188 5.772 -4.364 1.00 0.00 O ATOM 116 CB HIS A 8 -7.379 8.622 -3.860 1.00 0.00 C ATOM 117 CG HIS A 8 -7.157 9.921 -3.151 1.00 0.00 C ATOM 118 ND1 HIS A 8 -7.271 10.061 -1.784 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.829 11.146 -3.626 1.00 0.00 C ATOM 120 CE1 HIS A 8 -7.024 11.315 -1.449 1.00 0.00 C ATOM 121 NE2 HIS A 8 -6.753 11.994 -2.549 1.00 0.00 N ATOM 0 H HIS A 8 -5.797 9.462 -5.605 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.506 7.708 -3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.958 8.806 -4.765 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.978 7.969 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.659 11.407 -4.660 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.041 11.716 -0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.524 12.987 -2.591 1.00 0.00 H new ATOM 130 N SER A 9 -5.799 6.314 -6.052 1.00 0.00 N ATOM 131 CA SER A 9 -6.020 5.070 -6.780 1.00 0.00 C ATOM 132 C SER A 9 -5.737 3.866 -5.889 1.00 0.00 C ATOM 133 O SER A 9 -4.878 3.925 -5.010 1.00 0.00 O ATOM 134 CB SER A 9 -5.133 5.018 -8.025 1.00 0.00 C ATOM 135 OG SER A 9 -5.415 6.098 -8.899 1.00 0.00 O ATOM 0 H SER A 9 -5.151 6.958 -6.505 1.00 0.00 H new ATOM 0 HA SER A 9 -7.065 5.037 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.084 5.050 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.289 4.074 -8.547 1.00 0.00 H new ATOM 0 HG SER A 9 -5.089 5.885 -9.798 1.00 0.00 H new ATOM 141 N GLY A 10 -6.462 2.777 -6.121 1.00 0.00 N ATOM 142 CA GLY A 10 -6.278 1.578 -5.325 1.00 0.00 C ATOM 143 C GLY A 10 -4.834 1.114 -5.284 1.00 0.00 C ATOM 144 O GLY A 10 -4.244 0.995 -4.209 1.00 0.00 O ATOM 0 H GLY A 10 -7.175 2.703 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.623 1.766 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.900 0.780 -5.730 1.00 0.00 H new ATOM 148 N ALA A 11 -4.265 0.853 -6.454 1.00 0.00 N ATOM 149 CA ALA A 11 -2.883 0.394 -6.551 1.00 0.00 C ATOM 150 C ALA A 11 -1.921 1.364 -5.863 1.00 0.00 C ATOM 151 O ALA A 11 -0.872 0.963 -5.353 1.00 0.00 O ATOM 152 CB ALA A 11 -2.502 0.197 -8.010 1.00 0.00 C ATOM 0 H ALA A 11 -4.739 0.951 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.804 -0.562 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.469 -0.146 -8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.159 -0.547 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.604 1.142 -8.544 1.00 0.00 H new ATOM 158 N ARG A 12 -2.288 2.642 -5.850 1.00 0.00 N ATOM 159 CA ARG A 12 -1.466 3.672 -5.231 1.00 0.00 C ATOM 160 C ARG A 12 -1.501 3.546 -3.719 1.00 0.00 C ATOM 161 O ARG A 12 -0.464 3.503 -3.054 1.00 0.00 O ATOM 162 CB ARG A 12 -1.991 5.049 -5.632 1.00 0.00 C ATOM 163 CG ARG A 12 -0.912 6.105 -5.771 1.00 0.00 C ATOM 164 CD ARG A 12 -0.498 6.669 -4.421 1.00 0.00 C ATOM 165 NE ARG A 12 0.465 7.757 -4.560 1.00 0.00 N ATOM 166 CZ ARG A 12 0.478 8.837 -3.784 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.414 8.968 -2.811 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.381 9.786 -3.980 1.00 0.00 N ATOM 0 H ARG A 12 -3.154 2.988 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.438 3.549 -5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.523 4.962 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.716 5.381 -4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.043 5.673 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.274 6.913 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.380 7.030 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.064 5.875 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 12 1.169 7.685 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.111 8.240 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.403 9.797 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.068 9.689 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.389 10.613 -3.384 1.00 0.00 H new ATOM 182 N VAL A 13 -2.712 3.483 -3.188 1.00 0.00 N ATOM 183 CA VAL A 13 -2.917 3.387 -1.757 1.00 0.00 C ATOM 184 C VAL A 13 -2.297 2.121 -1.170 1.00 0.00 C ATOM 185 O VAL A 13 -1.827 2.130 -0.033 1.00 0.00 O ATOM 186 CB VAL A 13 -4.419 3.417 -1.404 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.622 3.295 0.096 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.068 4.687 -1.928 1.00 0.00 C ATOM 0 H VAL A 13 -3.573 3.497 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.421 4.254 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.897 2.563 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.688 3.318 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.198 2.354 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.126 4.125 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.127 4.688 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.584 5.555 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.960 4.730 -3.012 1.00 0.00 H new ATOM 198 N ILE A 14 -2.284 1.036 -1.941 1.00 0.00 N ATOM 199 CA ILE A 14 -1.737 -0.216 -1.437 1.00 0.00 C ATOM 200 C ILE A 14 -0.210 -0.193 -1.329 1.00 0.00 C ATOM 201 O ILE A 14 0.335 -0.467 -0.266 1.00 0.00 O ATOM 202 CB ILE A 14 -2.177 -1.425 -2.295 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.682 -1.297 -3.738 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.690 -1.572 -2.264 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.065 -2.465 -4.621 1.00 0.00 C ATOM 0 H ILE A 14 -2.638 0.999 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.145 -0.328 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.726 -2.320 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.083 -0.380 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.596 -1.198 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.985 -2.427 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.020 -1.727 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.152 -0.668 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.679 -2.302 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.641 -3.383 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.151 -2.552 -4.658 1.00 0.00 H new ATOM 217 N LEU A 15 0.482 0.137 -2.414 1.00 0.00 N ATOM 218 CA LEU A 15 1.941 0.147 -2.344 1.00 0.00 C ATOM 219 C LEU A 15 2.450 1.132 -1.292 1.00 0.00 C ATOM 220 O LEU A 15 3.424 0.856 -0.591 1.00 0.00 O ATOM 221 CB LEU A 15 2.546 0.472 -3.711 1.00 0.00 C ATOM 222 CG LEU A 15 2.031 -0.387 -4.864 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.199 0.343 -6.186 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.757 -1.723 -4.896 1.00 0.00 C ATOM 0 H LEU A 15 0.080 0.391 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 15 2.259 -0.852 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.347 1.519 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.628 0.359 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 15 0.969 -0.576 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.827 -0.283 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.636 1.276 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.254 0.560 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.378 -2.323 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.825 -1.553 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.588 -2.251 -3.958 1.00 0.00 H new ATOM 236 N LEU A 16 1.776 2.267 -1.166 1.00 0.00 N ATOM 237 CA LEU A 16 2.192 3.270 -0.209 1.00 0.00 C ATOM 238 C LEU A 16 1.959 2.789 1.218 1.00 0.00 C ATOM 239 O LEU A 16 2.834 2.879 2.089 1.00 0.00 O ATOM 240 CB LEU A 16 1.393 4.539 -0.462 1.00 0.00 C ATOM 241 CG LEU A 16 1.686 5.677 0.495 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.119 6.155 0.330 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.705 6.810 0.274 1.00 0.00 C ATOM 0 H LEU A 16 0.948 2.510 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 16 3.258 3.462 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.590 4.879 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.331 4.300 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 16 1.568 5.318 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.312 6.972 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.803 5.332 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.271 6.504 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.925 7.622 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.793 7.173 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.310 6.451 0.446 1.00 0.00 H new ATOM 255 N VAL A 17 0.764 2.276 1.443 1.00 0.00 N ATOM 256 CA VAL A 17 0.383 1.783 2.749 1.00 0.00 C ATOM 257 C VAL A 17 1.258 0.605 3.169 1.00 0.00 C ATOM 258 O VAL A 17 1.669 0.516 4.326 1.00 0.00 O ATOM 259 CB VAL A 17 -1.105 1.393 2.759 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.338 0.007 2.193 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.683 1.505 4.152 1.00 0.00 C ATOM 0 H VAL A 17 0.038 2.191 0.732 1.00 0.00 H new ATOM 0 HA VAL A 17 0.536 2.582 3.474 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.623 2.098 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.403 -0.223 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.986 -0.029 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.793 -0.725 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.736 1.224 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.142 0.840 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.588 2.532 4.504 1.00 0.00 H new ATOM 271 N LEU A 18 1.543 -0.299 2.230 1.00 0.00 N ATOM 272 CA LEU A 18 2.401 -1.431 2.550 1.00 0.00 C ATOM 273 C LEU A 18 3.784 -0.921 2.902 1.00 0.00 C ATOM 274 O LEU A 18 4.510 -1.547 3.669 1.00 0.00 O ATOM 275 CB LEU A 18 2.518 -2.420 1.378 1.00 0.00 C ATOM 276 CG LEU A 18 1.219 -3.065 0.886 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.522 -4.350 0.133 1.00 0.00 C ATOM 278 CD2 LEU A 18 0.261 -3.334 2.041 1.00 0.00 C ATOM 0 H LEU A 18 1.202 -0.269 1.269 1.00 0.00 H new ATOM 0 HA LEU A 18 1.953 -1.960 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.978 -1.899 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.202 -3.216 1.672 1.00 0.00 H new ATOM 0 HG LEU A 18 0.731 -2.366 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.590 -4.798 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.157 -4.128 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.037 -5.047 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.651 -3.792 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.733 -4.008 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.015 -2.395 2.536 1.00 0.00 H new ATOM 290 N TYR A 19 4.141 0.230 2.333 1.00 0.00 N ATOM 291 CA TYR A 19 5.455 0.810 2.581 1.00 0.00 C ATOM 292 C TYR A 19 5.713 0.987 4.065 1.00 0.00 C ATOM 293 O TYR A 19 6.632 0.385 4.609 1.00 0.00 O ATOM 294 CB TYR A 19 5.595 2.153 1.868 1.00 0.00 C ATOM 295 CG TYR A 19 6.963 2.779 2.025 1.00 0.00 C ATOM 296 CD1 TYR A 19 8.056 2.301 1.314 1.00 0.00 C ATOM 297 CD2 TYR A 19 7.161 3.847 2.892 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.307 2.869 1.460 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.409 4.421 3.044 1.00 0.00 C ATOM 300 CZ TYR A 19 9.479 3.928 2.326 1.00 0.00 C ATOM 301 OH TYR A 19 10.723 4.496 2.476 1.00 0.00 O ATOM 0 H TYR A 19 3.546 0.771 1.706 1.00 0.00 H new ATOM 0 HA TYR A 19 6.197 0.116 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.386 2.016 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.843 2.841 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.926 1.471 0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.326 4.235 3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.146 2.485 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.546 5.251 3.721 1.00 0.00 H new ATOM 0 HH TYR A 19 10.671 5.231 3.122 1.00 0.00 H new ATOM 311 N ARG A 20 4.889 1.780 4.733 1.00 0.00 N ATOM 312 CA ARG A 20 5.095 1.995 6.162 1.00 0.00 C ATOM 313 C ARG A 20 5.027 0.681 6.935 1.00 0.00 C ATOM 314 O ARG A 20 5.938 0.352 7.693 1.00 0.00 O ATOM 315 CB ARG A 20 4.063 2.992 6.701 1.00 0.00 C ATOM 316 CG ARG A 20 4.177 3.262 8.195 1.00 0.00 C ATOM 317 CD ARG A 20 3.373 2.264 9.014 1.00 0.00 C ATOM 318 NE ARG A 20 1.948 2.325 8.700 1.00 0.00 N ATOM 319 CZ ARG A 20 1.018 1.635 9.353 1.00 0.00 C ATOM 320 NH1 ARG A 20 1.361 0.830 10.350 1.00 0.00 N ATOM 321 NH2 ARG A 20 -0.257 1.749 9.008 1.00 0.00 N ATOM 0 H ARG A 20 4.094 2.273 4.327 1.00 0.00 H new ATOM 0 HA ARG A 20 6.093 2.411 6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.170 3.934 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.063 2.614 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.224 3.216 8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.828 4.272 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.744 1.257 8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.520 2.463 10.075 1.00 0.00 H new ATOM 0 HE ARG A 20 1.649 2.932 7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.341 0.739 10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.645 0.302 10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.525 2.366 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.970 1.219 9.509 1.00 0.00 H new ATOM 335 N GLU A 21 3.948 -0.066 6.731 1.00 0.00 N ATOM 336 CA GLU A 21 3.806 -1.330 7.448 1.00 0.00 C ATOM 337 C GLU A 21 4.983 -2.264 7.169 1.00 0.00 C ATOM 338 O GLU A 21 5.342 -3.085 8.013 1.00 0.00 O ATOM 339 CB GLU A 21 2.494 -2.014 7.071 1.00 0.00 C ATOM 340 CG GLU A 21 2.224 -3.275 7.874 1.00 0.00 C ATOM 341 CD GLU A 21 2.138 -3.012 9.364 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.026 -2.725 9.853 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.184 -3.092 10.043 1.00 0.00 O ATOM 0 H GLU A 21 3.183 0.168 6.099 1.00 0.00 H new ATOM 0 HA GLU A 21 3.797 -1.106 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.671 -1.314 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.514 -2.264 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.291 -3.725 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.015 -4.000 7.682 1.00 0.00 H new ATOM 350 N HIS A 22 5.576 -2.141 5.989 1.00 0.00 N ATOM 351 CA HIS A 22 6.719 -2.980 5.644 1.00 0.00 C ATOM 352 C HIS A 22 7.966 -2.490 6.365 1.00 0.00 C ATOM 353 O HIS A 22 8.806 -3.283 6.791 1.00 0.00 O ATOM 354 CB HIS A 22 6.944 -2.976 4.134 1.00 0.00 C ATOM 355 CG HIS A 22 8.221 -3.629 3.699 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.276 -4.901 3.169 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.497 -3.170 3.701 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.527 -5.196 2.864 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.286 -4.163 3.177 1.00 0.00 N ATOM 0 H HIS A 22 5.292 -1.481 5.265 1.00 0.00 H new ATOM 0 HA HIS A 22 6.510 -4.002 5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.108 -3.483 3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.938 -1.945 3.780 1.00 0.00 H new ATOM 0 HD1 HIS A 22 7.475 -5.518 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.830 -2.204 4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.870 -6.124 2.432 1.00 0.00 H new ATOM 368 N LEU A 23 8.075 -1.174 6.495 1.00 0.00 N ATOM 369 CA LEU A 23 9.212 -0.568 7.171 1.00 0.00 C ATOM 370 C LEU A 23 9.120 -0.764 8.677 1.00 0.00 C ATOM 371 O LEU A 23 9.885 -0.173 9.436 1.00 0.00 O ATOM 372 CB LEU A 23 9.300 0.920 6.835 1.00 0.00 C ATOM 373 CG LEU A 23 10.082 1.241 5.563 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.324 0.795 4.322 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.404 2.724 5.492 1.00 0.00 C ATOM 0 H LEU A 23 7.389 -0.507 6.141 1.00 0.00 H new ATOM 0 HA LEU A 23 10.117 -1.063 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.290 1.316 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.765 1.441 7.672 1.00 0.00 H new ATOM 0 HG LEU A 23 11.019 0.686 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.907 1.037 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.158 -0.281 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.364 1.309 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.961 2.932 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.477 3.298 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.005 3.008 6.356 1.00 0.00 H new ATOM 387 N ASN A 24 8.170 -1.592 9.099 1.00 0.00 N ATOM 388 CA ASN A 24 7.972 -1.880 10.516 1.00 0.00 C ATOM 389 C ASN A 24 8.787 -3.096 10.962 1.00 0.00 C ATOM 390 O ASN A 24 8.433 -4.234 10.650 1.00 0.00 O ATOM 391 CB ASN A 24 6.491 -2.126 10.810 1.00 0.00 C ATOM 392 CG ASN A 24 5.705 -0.835 10.914 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.138 -0.357 9.935 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.673 -0.260 12.107 1.00 0.00 N ATOM 0 H ASN A 24 7.523 -2.077 8.478 1.00 0.00 H new ATOM 0 HA ASN A 24 8.316 -1.010 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.064 -2.746 10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.395 -2.684 11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.163 0.614 12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.158 -0.691 12.894 1.00 0.00 H new ATOM 401 N PRO A 25 9.894 -2.872 11.695 1.00 0.00 N ATOM 402 CA PRO A 25 10.747 -3.956 12.194 1.00 0.00 C ATOM 403 C PRO A 25 10.020 -4.839 13.197 1.00 0.00 C ATOM 404 O PRO A 25 10.263 -6.043 13.277 1.00 0.00 O ATOM 405 CB PRO A 25 11.899 -3.231 12.896 1.00 0.00 C ATOM 406 CG PRO A 25 11.850 -1.828 12.397 1.00 0.00 C ATOM 407 CD PRO A 25 10.408 -1.551 12.084 1.00 0.00 C ATOM 0 HA PRO A 25 11.067 -4.613 11.385 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.783 -3.266 13.979 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.856 -3.697 12.663 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.227 -1.133 13.148 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.472 -1.707 11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.877 -1.150 12.948 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.302 -0.824 11.279 1.00 0.00 H new ATOM 415 N ASN A 26 9.124 -4.225 13.960 1.00 0.00 N ATOM 416 CA ASN A 26 8.374 -4.962 14.964 1.00 0.00 C ATOM 417 C ASN A 26 6.896 -5.019 14.589 1.00 0.00 C ATOM 418 O ASN A 26 6.024 -5.125 15.451 1.00 0.00 O ATOM 419 CB ASN A 26 8.552 -4.306 16.338 1.00 0.00 C ATOM 420 CG ASN A 26 8.040 -5.172 17.474 1.00 0.00 C ATOM 421 OD1 ASN A 26 8.759 -6.030 17.987 1.00 0.00 O ATOM 422 ND2 ASN A 26 6.796 -4.947 17.879 1.00 0.00 N ATOM 0 H ASN A 26 8.902 -3.231 13.903 1.00 0.00 H new ATOM 0 HA ASN A 26 8.756 -5.982 15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.608 -4.091 16.499 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.027 -3.351 16.350 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.401 -5.495 18.643 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.235 -4.226 17.426 1.00 0.00 H new ATOM 429 N GLY A 27 6.623 -4.960 13.289 1.00 0.00 N ATOM 430 CA GLY A 27 5.245 -5.000 12.838 1.00 0.00 C ATOM 431 C GLY A 27 4.874 -6.337 12.228 1.00 0.00 C ATOM 432 O GLY A 27 4.944 -7.371 12.892 1.00 0.00 O ATOM 0 H GLY A 27 7.321 -4.886 12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.584 -4.792 13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.083 -4.211 12.103 1.00 0.00 H new ATOM 436 N HIS A 28 4.480 -6.316 10.959 1.00 0.00 N ATOM 437 CA HIS A 28 4.098 -7.538 10.263 1.00 0.00 C ATOM 438 C HIS A 28 4.767 -7.621 8.895 1.00 0.00 C ATOM 439 O HIS A 28 4.825 -8.690 8.292 1.00 0.00 O ATOM 440 CB HIS A 28 2.578 -7.608 10.105 1.00 0.00 C ATOM 441 CG HIS A 28 1.840 -7.627 11.408 1.00 0.00 C ATOM 442 ND1 HIS A 28 1.384 -8.788 11.997 1.00 0.00 N ATOM 443 CD2 HIS A 28 1.476 -6.619 12.235 1.00 0.00 C ATOM 444 CE1 HIS A 28 0.771 -8.492 13.129 1.00 0.00 C ATOM 445 NE2 HIS A 28 0.813 -7.183 13.296 1.00 0.00 N ATOM 0 H HIS A 28 4.417 -5.469 10.394 1.00 0.00 H new ATOM 0 HA HIS A 28 4.434 -8.384 10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.242 -6.752 9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.321 -8.503 9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.671 -5.567 12.087 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.313 -9.200 13.803 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.417 -6.673 14.086 1.00 0.00 H new ATOM 454 N HIS A 29 5.269 -6.486 8.414 1.00 0.00 N ATOM 455 CA HIS A 29 5.933 -6.420 7.113 1.00 0.00 C ATOM 456 C HIS A 29 4.941 -6.672 5.980 1.00 0.00 C ATOM 457 O HIS A 29 5.336 -6.926 4.841 1.00 0.00 O ATOM 458 CB HIS A 29 7.082 -7.431 7.042 1.00 0.00 C ATOM 459 CG HIS A 29 8.132 -7.218 8.088 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.210 -7.974 9.240 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.153 -6.331 8.152 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.233 -7.560 9.967 1.00 0.00 C ATOM 463 NE2 HIS A 29 9.822 -6.566 9.329 1.00 0.00 N ATOM 0 H HIS A 29 5.228 -5.595 8.908 1.00 0.00 H new ATOM 0 HA HIS A 29 6.341 -5.416 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.676 -8.437 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.545 -7.374 6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.396 -5.579 7.416 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.536 -7.966 10.921 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.642 -6.055 9.657 1.00 0.00 H new ATOM 472 N PHE A 30 3.653 -6.590 6.301 1.00 0.00 N ATOM 473 CA PHE A 30 2.598 -6.802 5.308 1.00 0.00 C ATOM 474 C PHE A 30 1.236 -6.373 5.841 1.00 0.00 C ATOM 475 O PHE A 30 1.111 -5.931 6.984 1.00 0.00 O ATOM 476 CB PHE A 30 2.530 -8.271 4.860 1.00 0.00 C ATOM 477 CG PHE A 30 2.437 -9.268 5.984 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.324 -9.305 6.812 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.460 -10.177 6.205 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.237 -10.226 7.839 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.376 -11.101 7.229 1.00 0.00 C ATOM 482 CZ PHE A 30 2.264 -11.125 8.047 1.00 0.00 C ATOM 0 H PHE A 30 3.312 -6.379 7.239 1.00 0.00 H new ATOM 0 HA PHE A 30 2.852 -6.183 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.666 -8.398 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.415 -8.496 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.516 -8.606 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.333 -10.163 5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.367 -10.242 8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.180 -11.804 7.389 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.198 -11.846 8.848 1.00 0.00 H new ATOM 492 N LEU A 31 0.216 -6.518 5.000 1.00 0.00 N ATOM 493 CA LEU A 31 -1.144 -6.158 5.360 1.00 0.00 C ATOM 494 C LEU A 31 -2.145 -7.028 4.607 1.00 0.00 C ATOM 495 O LEU A 31 -1.911 -7.400 3.457 1.00 0.00 O ATOM 496 CB LEU A 31 -1.399 -4.689 5.040 1.00 0.00 C ATOM 497 CG LEU A 31 -0.742 -3.686 5.990 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.905 -2.269 5.463 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.334 -3.808 7.386 1.00 0.00 C ATOM 0 H LEU A 31 0.312 -6.887 4.054 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.271 -6.321 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.047 -4.489 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.475 -4.516 5.044 1.00 0.00 H new ATOM 0 HG LEU A 31 0.323 -3.911 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.432 -1.568 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.435 -2.189 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.966 -2.033 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.855 -3.087 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.405 -3.608 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.167 -4.816 7.765 1.00 0.00 H new ATOM 511 N THR A 32 -3.258 -7.349 5.255 1.00 0.00 N ATOM 512 CA THR A 32 -4.281 -8.169 4.619 1.00 0.00 C ATOM 513 C THR A 32 -5.311 -7.293 3.916 1.00 0.00 C ATOM 514 O THR A 32 -5.353 -6.083 4.129 1.00 0.00 O ATOM 515 CB THR A 32 -4.995 -9.080 5.635 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.648 -8.287 6.632 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.007 -10.026 6.301 1.00 0.00 C ATOM 0 H THR A 32 -3.474 -7.058 6.209 1.00 0.00 H new ATOM 0 HA THR A 32 -3.776 -8.799 3.887 1.00 0.00 H new ATOM 0 HB THR A 32 -5.737 -9.672 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.963 -8.867 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.534 -10.659 7.014 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.533 -10.650 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.245 -9.448 6.823 1.00 0.00 H new ATOM 525 N LYS A 33 -6.143 -7.911 3.084 1.00 0.00 N ATOM 526 CA LYS A 33 -7.162 -7.166 2.349 1.00 0.00 C ATOM 527 C LYS A 33 -8.050 -6.353 3.287 1.00 0.00 C ATOM 528 O LYS A 33 -8.488 -5.258 2.941 1.00 0.00 O ATOM 529 CB LYS A 33 -8.025 -8.118 1.517 1.00 0.00 C ATOM 530 CG LYS A 33 -7.508 -8.334 0.102 1.00 0.00 C ATOM 531 CD LYS A 33 -7.610 -7.061 -0.725 1.00 0.00 C ATOM 532 CE LYS A 33 -7.182 -7.293 -2.166 1.00 0.00 C ATOM 533 NZ LYS A 33 -8.023 -8.323 -2.837 1.00 0.00 N ATOM 0 H LYS A 33 -6.134 -8.915 2.902 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.644 -6.473 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.081 -9.081 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.040 -7.724 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.470 -8.664 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.079 -9.129 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.636 -6.694 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.986 -6.286 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.246 -6.356 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.138 -7.606 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.864 -8.286 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.767 -9.266 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.026 -8.138 -2.635 1.00 0.00 H new ATOM 547 N GLU A 34 -8.308 -6.892 4.474 1.00 0.00 N ATOM 548 CA GLU A 34 -9.151 -6.214 5.453 1.00 0.00 C ATOM 549 C GLU A 34 -8.384 -5.120 6.192 1.00 0.00 C ATOM 550 O GLU A 34 -8.967 -4.117 6.607 1.00 0.00 O ATOM 551 CB GLU A 34 -9.711 -7.228 6.453 1.00 0.00 C ATOM 552 CG GLU A 34 -8.639 -7.995 7.209 1.00 0.00 C ATOM 553 CD GLU A 34 -9.220 -8.997 8.187 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.446 -10.158 7.785 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.451 -8.621 9.355 1.00 0.00 O ATOM 0 H GLU A 34 -7.946 -7.795 4.781 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.973 -5.741 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.346 -6.706 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.346 -7.937 5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.000 -8.517 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.006 -7.291 7.749 1.00 0.00 H new ATOM 562 N GLU A 35 -7.080 -5.315 6.357 1.00 0.00 N ATOM 563 CA GLU A 35 -6.253 -4.340 7.062 1.00 0.00 C ATOM 564 C GLU A 35 -6.123 -3.042 6.273 1.00 0.00 C ATOM 565 O GLU A 35 -6.173 -1.957 6.847 1.00 0.00 O ATOM 566 CB GLU A 35 -4.866 -4.917 7.351 1.00 0.00 C ATOM 567 CG GLU A 35 -4.863 -5.972 8.445 1.00 0.00 C ATOM 568 CD GLU A 35 -3.480 -6.536 8.708 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.761 -5.969 9.559 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.116 -7.543 8.066 1.00 0.00 O ATOM 0 H GLU A 35 -6.575 -6.133 6.015 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.748 -4.115 8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.465 -5.353 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.197 -4.106 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.255 -5.538 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.535 -6.783 8.164 1.00 0.00 H new ATOM 577 N LEU A 36 -5.972 -3.159 4.959 1.00 0.00 N ATOM 578 CA LEU A 36 -5.825 -1.970 4.125 1.00 0.00 C ATOM 579 C LEU A 36 -6.982 -0.997 4.331 1.00 0.00 C ATOM 580 O LEU A 36 -6.810 0.214 4.205 1.00 0.00 O ATOM 581 CB LEU A 36 -5.756 -2.359 2.651 1.00 0.00 C ATOM 582 CG LEU A 36 -4.921 -3.593 2.329 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.995 -3.915 0.845 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.475 -3.394 2.760 1.00 0.00 C ATOM 0 H LEU A 36 -5.948 -4.045 4.455 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.898 -1.478 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.771 -2.526 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.354 -1.515 2.090 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.330 -4.436 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.393 -4.799 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.031 -4.107 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.614 -3.071 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.898 -4.287 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.053 -2.537 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.437 -3.215 3.834 1.00 0.00 H new ATOM 596 N LEU A 37 -8.161 -1.529 4.633 1.00 0.00 N ATOM 597 CA LEU A 37 -9.338 -0.693 4.852 1.00 0.00 C ATOM 598 C LEU A 37 -9.099 0.312 5.975 1.00 0.00 C ATOM 599 O LEU A 37 -9.430 1.490 5.843 1.00 0.00 O ATOM 600 CB LEU A 37 -10.561 -1.559 5.169 1.00 0.00 C ATOM 601 CG LEU A 37 -11.296 -2.127 3.950 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.901 -1.005 3.119 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.358 -2.972 3.100 1.00 0.00 C ATOM 0 H LEU A 37 -8.328 -2.530 4.732 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.528 -0.138 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.244 -2.389 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.265 -0.965 5.752 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.103 -2.766 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.419 -1.428 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.609 -0.443 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.109 -0.339 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.901 -3.365 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.527 -2.357 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.974 -3.800 3.696 1.00 0.00 H new ATOM 615 N GLN A 38 -8.526 -0.157 7.079 1.00 0.00 N ATOM 616 CA GLN A 38 -8.266 0.746 8.195 1.00 0.00 C ATOM 617 C GLN A 38 -7.068 1.633 7.882 1.00 0.00 C ATOM 618 O GLN A 38 -7.105 2.849 8.074 1.00 0.00 O ATOM 619 CB GLN A 38 -8.012 -0.048 9.477 1.00 0.00 C ATOM 620 CG GLN A 38 -9.180 -0.927 9.889 1.00 0.00 C ATOM 621 CD GLN A 38 -8.904 -1.705 11.162 1.00 0.00 C ATOM 622 OE1 GLN A 38 -8.393 -2.824 11.121 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.243 -1.113 12.302 1.00 0.00 N ATOM 0 H GLN A 38 -8.240 -1.125 7.224 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.143 1.376 8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.129 -0.672 9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.788 0.647 10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.065 -0.306 10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.407 -1.625 9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.664 -0.184 12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.082 -1.587 13.191 1.00 0.00 H new ATOM 632 N ARG A 39 -6.004 0.998 7.403 1.00 0.00 N ATOM 633 CA ARG A 39 -4.775 1.699 7.051 1.00 0.00 C ATOM 634 C ARG A 39 -5.051 2.854 6.099 1.00 0.00 C ATOM 635 O ARG A 39 -4.455 3.926 6.215 1.00 0.00 O ATOM 636 CB ARG A 39 -3.803 0.728 6.390 1.00 0.00 C ATOM 637 CG ARG A 39 -3.564 -0.543 7.180 1.00 0.00 C ATOM 638 CD ARG A 39 -2.718 -0.293 8.418 1.00 0.00 C ATOM 639 NE ARG A 39 -3.459 0.412 9.461 1.00 0.00 N ATOM 640 CZ ARG A 39 -3.006 0.586 10.699 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.820 0.106 11.050 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.741 1.239 11.589 1.00 0.00 N ATOM 0 H ARG A 39 -5.969 -0.010 7.249 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.342 2.101 7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.185 0.464 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.849 1.233 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.522 -0.972 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.069 -1.277 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.360 -1.245 8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.838 0.289 8.143 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.376 0.792 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.252 -0.399 10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.476 0.242 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.654 1.608 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.393 1.372 12.539 1.00 0.00 H new ATOM 656 N CYS A 40 -5.955 2.622 5.157 1.00 0.00 N ATOM 657 CA CYS A 40 -6.317 3.640 4.171 1.00 0.00 C ATOM 658 C CYS A 40 -6.748 4.930 4.860 1.00 0.00 C ATOM 659 O CYS A 40 -6.543 6.024 4.333 1.00 0.00 O ATOM 660 CB CYS A 40 -7.434 3.133 3.256 1.00 0.00 C ATOM 661 SG CYS A 40 -7.897 4.293 1.949 1.00 0.00 S ATOM 0 H CYS A 40 -6.453 1.738 5.052 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.436 3.848 3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.118 2.195 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.314 2.913 3.861 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.591 5.503 2.314 1.00 0.00 H new ATOM 667 N ALA A 41 -7.350 4.793 6.038 1.00 0.00 N ATOM 668 CA ALA A 41 -7.796 5.958 6.797 1.00 0.00 C ATOM 669 C ALA A 41 -6.616 6.835 7.212 1.00 0.00 C ATOM 670 O ALA A 41 -6.797 7.863 7.864 1.00 0.00 O ATOM 671 CB ALA A 41 -8.587 5.529 8.022 1.00 0.00 C ATOM 0 H ALA A 41 -7.539 3.896 6.485 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.444 6.547 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.910 6.412 8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.460 4.957 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.958 4.910 8.663 1.00 0.00 H new ATOM 677 N GLN A 42 -5.409 6.424 6.830 1.00 0.00 N ATOM 678 CA GLN A 42 -4.238 7.213 7.182 1.00 0.00 C ATOM 679 C GLN A 42 -3.818 8.055 5.985 1.00 0.00 C ATOM 680 O GLN A 42 -3.271 9.149 6.130 1.00 0.00 O ATOM 681 CB GLN A 42 -3.086 6.303 7.617 1.00 0.00 C ATOM 682 CG GLN A 42 -3.407 5.455 8.837 1.00 0.00 C ATOM 683 CD GLN A 42 -3.730 6.291 10.059 1.00 0.00 C ATOM 684 OE1 GLN A 42 -2.844 6.643 10.838 1.00 0.00 O ATOM 685 NE2 GLN A 42 -5.007 6.613 10.235 1.00 0.00 N ATOM 0 H GLN A 42 -5.221 5.577 6.294 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.489 7.868 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.820 5.647 6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.211 6.916 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.253 4.806 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.559 4.807 9.058 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.709 6.300 9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.285 7.173 11.041 1.00 0.00 H new ATOM 694 N LYS A 43 -4.089 7.521 4.795 1.00 0.00 N ATOM 695 CA LYS A 43 -3.767 8.193 3.543 1.00 0.00 C ATOM 696 C LYS A 43 -4.449 9.552 3.475 1.00 0.00 C ATOM 697 O LYS A 43 -3.792 10.594 3.493 1.00 0.00 O ATOM 698 CB LYS A 43 -4.221 7.333 2.366 1.00 0.00 C ATOM 699 CG LYS A 43 -3.633 7.762 1.036 1.00 0.00 C ATOM 700 CD LYS A 43 -3.045 6.574 0.305 1.00 0.00 C ATOM 701 CE LYS A 43 -2.387 6.981 -1.000 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.336 7.681 -1.908 1.00 0.00 N ATOM 0 H LYS A 43 -4.537 6.613 4.675 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.688 8.340 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.946 6.296 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.308 7.367 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.406 8.226 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.861 8.514 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.311 6.082 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.831 5.846 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.538 7.632 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.994 6.096 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.211 7.329 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.312 7.500 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.149 8.704 -1.884 1.00 0.00 H new ATOM 716 N SER A 44 -5.775 9.526 3.399 1.00 0.00 N ATOM 717 CA SER A 44 -6.567 10.746 3.335 1.00 0.00 C ATOM 718 C SER A 44 -7.294 10.979 4.659 1.00 0.00 C ATOM 719 O SER A 44 -7.761 10.029 5.287 1.00 0.00 O ATOM 720 CB SER A 44 -7.576 10.659 2.189 1.00 0.00 C ATOM 721 OG SER A 44 -8.359 11.838 2.105 1.00 0.00 O ATOM 0 H SER A 44 -6.325 8.667 3.380 1.00 0.00 H new ATOM 0 HA SER A 44 -5.897 11.587 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.049 10.501 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.226 9.797 2.338 1.00 0.00 H new ATOM 0 HG SER A 44 -8.994 11.757 1.363 1.00 0.00 H new ATOM 727 N PRO A 45 -7.399 12.244 5.102 1.00 0.00 N ATOM 728 CA PRO A 45 -8.071 12.582 6.362 1.00 0.00 C ATOM 729 C PRO A 45 -9.513 12.091 6.405 1.00 0.00 C ATOM 730 O PRO A 45 -10.298 12.361 5.496 1.00 0.00 O ATOM 731 CB PRO A 45 -8.027 14.114 6.400 1.00 0.00 C ATOM 732 CG PRO A 45 -6.904 14.488 5.495 1.00 0.00 C ATOM 733 CD PRO A 45 -6.877 13.441 4.419 1.00 0.00 C ATOM 0 HA PRO A 45 -7.584 12.109 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.969 14.545 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.857 14.479 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.058 15.480 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.959 14.516 6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.497 13.722 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.868 13.280 4.039 1.00 0.00 H new ATOM 741 N ARG A 46 -9.848 11.379 7.480 1.00 0.00 N ATOM 742 CA ARG A 46 -11.196 10.842 7.656 1.00 0.00 C ATOM 743 C ARG A 46 -11.756 10.296 6.343 1.00 0.00 C ATOM 744 O ARG A 46 -12.476 10.992 5.627 1.00 0.00 O ATOM 745 CB ARG A 46 -12.129 11.919 8.214 1.00 0.00 C ATOM 746 CG ARG A 46 -13.541 11.423 8.485 1.00 0.00 C ATOM 747 CD ARG A 46 -14.426 12.533 9.031 1.00 0.00 C ATOM 748 NE ARG A 46 -13.914 13.075 10.286 1.00 0.00 N ATOM 749 CZ ARG A 46 -14.492 14.072 10.949 1.00 0.00 C ATOM 750 NH1 ARG A 46 -15.597 14.635 10.478 1.00 0.00 N ATOM 751 NH2 ARG A 46 -13.965 14.508 12.086 1.00 0.00 N ATOM 0 H ARG A 46 -9.205 11.161 8.241 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.134 10.017 8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.706 12.309 9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.174 12.749 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.973 11.031 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.508 10.599 9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.500 13.333 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.434 12.149 9.187 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.065 12.666 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.006 14.303 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.038 15.400 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.116 14.078 12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.409 15.273 12.594 1.00 0.00 H new ATOM 765 N VAL A 47 -11.415 9.050 6.029 1.00 0.00 N ATOM 766 CA VAL A 47 -11.890 8.421 4.802 1.00 0.00 C ATOM 767 C VAL A 47 -13.366 8.053 4.914 1.00 0.00 C ATOM 768 O VAL A 47 -14.061 7.929 3.905 1.00 0.00 O ATOM 769 CB VAL A 47 -11.075 7.159 4.460 1.00 0.00 C ATOM 770 CG1 VAL A 47 -9.631 7.524 4.143 1.00 0.00 C ATOM 771 CG2 VAL A 47 -11.139 6.155 5.601 1.00 0.00 C ATOM 0 H VAL A 47 -10.815 8.459 6.604 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.759 9.148 4.001 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.512 6.697 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.071 6.620 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.606 8.202 3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.181 8.012 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.557 5.271 5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.729 6.605 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.176 5.869 5.776 1.00 0.00 H new ATOM 781 N ALA A 48 -13.834 7.880 6.151 1.00 0.00 N ATOM 782 CA ALA A 48 -15.230 7.534 6.406 1.00 0.00 C ATOM 783 C ALA A 48 -15.570 6.142 5.872 1.00 0.00 C ATOM 784 O ALA A 48 -15.171 5.780 4.765 1.00 0.00 O ATOM 785 CB ALA A 48 -16.158 8.577 5.799 1.00 0.00 C ATOM 0 H ALA A 48 -13.265 7.974 6.992 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.375 7.520 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.194 8.303 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.949 9.551 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.997 8.625 4.722 1.00 0.00 H new ATOM 791 N PRO A 49 -16.317 5.338 6.655 1.00 0.00 N ATOM 792 CA PRO A 49 -16.710 3.983 6.251 1.00 0.00 C ATOM 793 C PRO A 49 -17.644 3.990 5.047 1.00 0.00 C ATOM 794 O PRO A 49 -17.952 5.047 4.494 1.00 0.00 O ATOM 795 CB PRO A 49 -17.437 3.424 7.484 1.00 0.00 C ATOM 796 CG PRO A 49 -17.064 4.330 8.608 1.00 0.00 C ATOM 797 CD PRO A 49 -16.833 5.678 7.991 1.00 0.00 C ATOM 0 HA PRO A 49 -15.848 3.389 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.516 3.411 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -17.132 2.398 7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -17.857 4.373 9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -16.167 3.974 9.115 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.753 6.260 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.117 6.268 8.563 1.00 0.00 H new ATOM 805 N GLY A 50 -18.094 2.805 4.646 1.00 0.00 N ATOM 806 CA GLY A 50 -18.989 2.699 3.508 1.00 0.00 C ATOM 807 C GLY A 50 -18.301 3.017 2.195 1.00 0.00 C ATOM 808 O GLY A 50 -18.935 3.016 1.139 1.00 0.00 O ATOM 0 H GLY A 50 -17.855 1.917 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -19.398 1.690 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -19.830 3.378 3.647 1.00 0.00 H new ATOM 812 N SER A 51 -17.002 3.289 2.261 1.00 0.00 N ATOM 813 CA SER A 51 -16.226 3.610 1.069 1.00 0.00 C ATOM 814 C SER A 51 -15.145 2.562 0.827 1.00 0.00 C ATOM 815 O SER A 51 -14.146 2.509 1.543 1.00 0.00 O ATOM 816 CB SER A 51 -15.589 4.994 1.207 1.00 0.00 C ATOM 817 OG SER A 51 -16.578 5.997 1.362 1.00 0.00 O ATOM 0 H SER A 51 -16.464 3.294 3.128 1.00 0.00 H new ATOM 0 HA SER A 51 -16.903 3.613 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.918 5.005 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.984 5.209 0.326 1.00 0.00 H new ATOM 0 HG SER A 51 -16.146 6.872 1.450 1.00 0.00 H new ATOM 823 N ALA A 52 -15.355 1.727 -0.186 1.00 0.00 N ATOM 824 CA ALA A 52 -14.397 0.682 -0.525 1.00 0.00 C ATOM 825 C ALA A 52 -14.161 0.622 -2.033 1.00 0.00 C ATOM 826 O ALA A 52 -14.860 -0.096 -2.748 1.00 0.00 O ATOM 827 CB ALA A 52 -14.883 -0.666 -0.011 1.00 0.00 C ATOM 0 H ALA A 52 -16.180 1.754 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.449 0.922 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.158 -1.437 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.995 -0.623 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.845 -0.904 -0.466 1.00 0.00 H new ATOM 833 N PRO A 53 -13.176 1.388 -2.539 1.00 0.00 N ATOM 834 CA PRO A 53 -12.853 1.415 -3.970 1.00 0.00 C ATOM 835 C PRO A 53 -12.460 0.039 -4.499 1.00 0.00 C ATOM 836 O PRO A 53 -11.987 -0.810 -3.741 1.00 0.00 O ATOM 837 CB PRO A 53 -11.660 2.375 -4.058 1.00 0.00 C ATOM 838 CG PRO A 53 -11.726 3.190 -2.813 1.00 0.00 C ATOM 839 CD PRO A 53 -12.307 2.290 -1.761 1.00 0.00 C ATOM 0 HA PRO A 53 -13.709 1.724 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.719 1.829 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.725 3.005 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.736 3.541 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.347 4.074 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.532 1.741 -1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.871 2.851 -1.016 1.00 0.00 H new ATOM 847 N PRO A 54 -12.651 -0.203 -5.808 1.00 0.00 N ATOM 848 CA PRO A 54 -12.303 -1.485 -6.429 1.00 0.00 C ATOM 849 C PRO A 54 -10.840 -1.840 -6.212 1.00 0.00 C ATOM 850 O PRO A 54 -9.952 -1.253 -6.831 1.00 0.00 O ATOM 851 CB PRO A 54 -12.584 -1.258 -7.918 1.00 0.00 C ATOM 852 CG PRO A 54 -13.551 -0.126 -7.960 1.00 0.00 C ATOM 853 CD PRO A 54 -13.218 0.746 -6.783 1.00 0.00 C ATOM 0 HA PRO A 54 -12.871 -2.313 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.670 -1.016 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.002 -2.152 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.462 0.429 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.578 -0.487 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.503 1.525 -7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.103 1.246 -6.390 1.00 0.00 H new ATOM 861 N TRP A 55 -10.590 -2.799 -5.324 1.00 0.00 N ATOM 862 CA TRP A 55 -9.225 -3.215 -5.040 1.00 0.00 C ATOM 863 C TRP A 55 -8.837 -4.554 -5.683 1.00 0.00 C ATOM 864 O TRP A 55 -7.690 -4.975 -5.534 1.00 0.00 O ATOM 865 CB TRP A 55 -8.969 -3.263 -3.531 1.00 0.00 C ATOM 866 CG TRP A 55 -8.040 -2.180 -3.063 1.00 0.00 C ATOM 867 CD1 TRP A 55 -7.176 -1.455 -3.834 1.00 0.00 C ATOM 868 CD2 TRP A 55 -7.874 -1.701 -1.724 1.00 0.00 C ATOM 869 NE1 TRP A 55 -6.495 -0.552 -3.063 1.00 0.00 N ATOM 870 CE2 TRP A 55 -6.902 -0.682 -1.765 1.00 0.00 C ATOM 871 CE3 TRP A 55 -8.452 -2.027 -0.494 1.00 0.00 C ATOM 872 CZ2 TRP A 55 -6.498 0.009 -0.629 1.00 0.00 C ATOM 873 CZ3 TRP A 55 -8.049 -1.339 0.631 1.00 0.00 C ATOM 874 CH2 TRP A 55 -7.081 -0.330 0.557 1.00 0.00 C ATOM 0 H TRP A 55 -11.307 -3.296 -4.796 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.589 -2.457 -5.496 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.918 -3.174 -3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.549 -4.234 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.049 -1.577 -4.899 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -5.797 0.110 -3.402 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -9.200 -2.803 -0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.750 0.786 -0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -8.488 -1.583 1.587 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.790 0.191 1.457 1.00 0.00 H new ATOM 885 N PRO A 56 -9.750 -5.271 -6.389 1.00 0.00 N ATOM 886 CA PRO A 56 -9.378 -6.529 -7.044 1.00 0.00 C ATOM 887 C PRO A 56 -8.169 -6.327 -7.951 1.00 0.00 C ATOM 888 O PRO A 56 -7.542 -7.284 -8.406 1.00 0.00 O ATOM 889 CB PRO A 56 -10.615 -6.893 -7.867 1.00 0.00 C ATOM 890 CG PRO A 56 -11.743 -6.224 -7.165 1.00 0.00 C ATOM 891 CD PRO A 56 -11.178 -4.955 -6.590 1.00 0.00 C ATOM 0 HA PRO A 56 -9.099 -7.308 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.524 -6.543 -8.895 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.759 -7.973 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.560 -6.010 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.147 -6.862 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.311 -4.113 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.665 -4.688 -5.652 1.00 0.00 H new ATOM 899 N ALA A 57 -7.858 -5.057 -8.204 1.00 0.00 N ATOM 900 CA ALA A 57 -6.728 -4.678 -9.038 1.00 0.00 C ATOM 901 C ALA A 57 -5.411 -4.895 -8.302 1.00 0.00 C ATOM 902 O ALA A 57 -4.336 -4.676 -8.858 1.00 0.00 O ATOM 903 CB ALA A 57 -6.868 -3.224 -9.461 1.00 0.00 C ATOM 0 H ALA A 57 -8.384 -4.265 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.722 -5.310 -9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.020 -2.943 -10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.792 -3.097 -10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.893 -2.588 -8.576 1.00 0.00 H new ATOM 909 N LEU A 58 -5.504 -5.328 -7.048 1.00 0.00 N ATOM 910 CA LEU A 58 -4.314 -5.574 -6.241 1.00 0.00 C ATOM 911 C LEU A 58 -3.541 -6.763 -6.796 1.00 0.00 C ATOM 912 O LEU A 58 -2.326 -6.692 -6.986 1.00 0.00 O ATOM 913 CB LEU A 58 -4.704 -5.829 -4.782 1.00 0.00 C ATOM 914 CG LEU A 58 -3.631 -5.485 -3.744 1.00 0.00 C ATOM 915 CD1 LEU A 58 -4.177 -5.665 -2.339 1.00 0.00 C ATOM 916 CD2 LEU A 58 -2.387 -6.338 -3.938 1.00 0.00 C ATOM 0 H LEU A 58 -6.386 -5.515 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.676 -4.691 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.601 -5.252 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.967 -6.881 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.351 -4.441 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.403 -5.417 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.034 -5.007 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.487 -6.701 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.643 -6.072 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.648 -7.391 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.977 -6.163 -4.933 1.00 0.00 H new ATOM 928 N ARG A 59 -4.253 -7.857 -7.049 1.00 0.00 N ATOM 929 CA ARG A 59 -3.637 -9.057 -7.601 1.00 0.00 C ATOM 930 C ARG A 59 -2.895 -8.719 -8.887 1.00 0.00 C ATOM 931 O ARG A 59 -1.905 -9.364 -9.235 1.00 0.00 O ATOM 932 CB ARG A 59 -4.699 -10.125 -7.874 1.00 0.00 C ATOM 933 CG ARG A 59 -5.472 -10.547 -6.635 1.00 0.00 C ATOM 934 CD ARG A 59 -6.526 -11.591 -6.967 1.00 0.00 C ATOM 935 NE ARG A 59 -7.284 -11.999 -5.788 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.352 -12.790 -5.835 1.00 0.00 C ATOM 937 NH1 ARG A 59 -8.786 -13.254 -6.999 1.00 0.00 N ATOM 938 NH2 ARG A 59 -8.987 -13.117 -4.718 1.00 0.00 N ATOM 0 H ARG A 59 -5.256 -7.936 -6.880 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.926 -9.450 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.400 -9.746 -8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.217 -11.002 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.782 -10.948 -5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.950 -9.675 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.209 -11.191 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.045 -12.464 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.977 -11.658 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.300 -13.004 -7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.605 -13.861 -7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.657 -12.762 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.806 -13.724 -4.756 1.00 0.00 H new ATOM 952 N SER A 60 -3.386 -7.702 -9.592 1.00 0.00 N ATOM 953 CA SER A 60 -2.758 -7.272 -10.834 1.00 0.00 C ATOM 954 C SER A 60 -1.325 -6.824 -10.570 1.00 0.00 C ATOM 955 O SER A 60 -0.426 -7.083 -11.368 1.00 0.00 O ATOM 956 CB SER A 60 -3.555 -6.134 -11.475 1.00 0.00 C ATOM 957 OG SER A 60 -4.887 -6.533 -11.746 1.00 0.00 O ATOM 0 H SER A 60 -4.211 -7.165 -9.325 1.00 0.00 H new ATOM 0 HA SER A 60 -2.744 -8.116 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.559 -5.270 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.070 -5.823 -12.400 1.00 0.00 H new ATOM 0 HG SER A 60 -5.375 -5.787 -12.154 1.00 0.00 H new ATOM 963 N LEU A 61 -1.123 -6.148 -9.441 1.00 0.00 N ATOM 964 CA LEU A 61 0.207 -5.686 -9.070 1.00 0.00 C ATOM 965 C LEU A 61 1.082 -6.866 -8.682 1.00 0.00 C ATOM 966 O LEU A 61 2.286 -6.869 -8.939 1.00 0.00 O ATOM 967 CB LEU A 61 0.138 -4.679 -7.925 1.00 0.00 C ATOM 968 CG LEU A 61 -0.312 -3.279 -8.334 1.00 0.00 C ATOM 969 CD1 LEU A 61 -1.828 -3.198 -8.387 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.258 -2.248 -7.380 1.00 0.00 C ATOM 0 H LEU A 61 -1.858 -5.911 -8.774 1.00 0.00 H new ATOM 0 HA LEU A 61 0.647 -5.187 -9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.546 -5.059 -7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.122 -4.609 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 61 0.067 -3.066 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.129 -2.192 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.206 -3.916 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.239 -3.427 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.070 -1.253 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.093 -2.455 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.347 -2.294 -7.403 1.00 0.00 H new ATOM 982 N LEU A 62 0.472 -7.866 -8.054 1.00 0.00 N ATOM 983 CA LEU A 62 1.191 -9.064 -7.660 1.00 0.00 C ATOM 984 C LEU A 62 1.779 -9.694 -8.905 1.00 0.00 C ATOM 985 O LEU A 62 2.893 -10.218 -8.901 1.00 0.00 O ATOM 986 CB LEU A 62 0.228 -10.035 -6.975 1.00 0.00 C ATOM 987 CG LEU A 62 0.806 -10.868 -5.827 1.00 0.00 C ATOM 988 CD1 LEU A 62 2.152 -11.469 -6.206 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.925 -10.022 -4.568 1.00 0.00 C ATOM 0 H LEU A 62 -0.518 -7.867 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 62 1.990 -8.819 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.618 -9.464 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.164 -10.717 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 62 0.122 -11.692 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.537 -12.055 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.030 -12.114 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.854 -10.669 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.337 -10.627 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.584 -9.175 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.061 -9.657 -4.281 1.00 0.00 H new ATOM 1001 N HIS A 63 0.998 -9.626 -9.973 1.00 0.00 N ATOM 1002 CA HIS A 63 1.415 -10.143 -11.258 1.00 0.00 C ATOM 1003 C HIS A 63 2.592 -9.326 -11.770 1.00 0.00 C ATOM 1004 O HIS A 63 3.434 -9.823 -12.519 1.00 0.00 O ATOM 1005 CB HIS A 63 0.247 -10.074 -12.240 1.00 0.00 C ATOM 1006 CG HIS A 63 0.571 -10.600 -13.604 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.312 -11.899 -13.989 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.130 -9.996 -14.679 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.700 -12.072 -15.240 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.199 -10.932 -15.681 1.00 0.00 N ATOM 0 H HIS A 63 0.065 -9.213 -9.969 1.00 0.00 H new ATOM 0 HA HIS A 63 1.724 -11.183 -11.157 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.591 -10.639 -11.833 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.080 -9.038 -12.329 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.460 -8.969 -14.737 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.622 -12.989 -15.805 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.575 -10.772 -16.616 1.00 0.00 H new ATOM 1019 N ARG A 64 2.640 -8.061 -11.352 1.00 0.00 N ATOM 1020 CA ARG A 64 3.719 -7.173 -11.746 1.00 0.00 C ATOM 1021 C ARG A 64 4.903 -7.342 -10.803 1.00 0.00 C ATOM 1022 O ARG A 64 5.976 -6.784 -11.033 1.00 0.00 O ATOM 1023 CB ARG A 64 3.238 -5.722 -11.736 1.00 0.00 C ATOM 1024 CG ARG A 64 2.073 -5.452 -12.678 1.00 0.00 C ATOM 1025 CD ARG A 64 2.511 -5.449 -14.136 1.00 0.00 C ATOM 1026 NE ARG A 64 2.931 -6.772 -14.590 1.00 0.00 N ATOM 1027 CZ ARG A 64 3.508 -6.999 -15.766 1.00 0.00 C ATOM 1028 NH1 ARG A 64 3.735 -5.994 -16.602 1.00 0.00 N ATOM 1029 NH2 ARG A 64 3.860 -8.231 -16.107 1.00 0.00 N ATOM 0 H ARG A 64 1.943 -7.634 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 64 4.035 -7.428 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.942 -5.455 -10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.070 -5.072 -12.007 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.304 -6.211 -12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.623 -4.490 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.689 -5.097 -14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.333 -4.745 -14.265 1.00 0.00 H new ATOM 0 HE ARG A 64 2.773 -7.566 -13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.467 -5.045 -16.343 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.178 -6.171 -17.504 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.688 -9.006 -15.467 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.303 -8.404 -17.010 1.00 0.00 H new ATOM 1043 N ASN A 65 4.690 -8.112 -9.733 1.00 0.00 N ATOM 1044 CA ASN A 65 5.736 -8.377 -8.753 1.00 0.00 C ATOM 1045 C ASN A 65 6.055 -7.138 -7.920 1.00 0.00 C ATOM 1046 O ASN A 65 7.139 -7.029 -7.350 1.00 0.00 O ATOM 1047 CB ASN A 65 7.002 -8.887 -9.443 1.00 0.00 C ATOM 1048 CG ASN A 65 7.756 -9.879 -8.585 1.00 0.00 C ATOM 1049 OD1 ASN A 65 8.983 -9.956 -8.630 1.00 0.00 O ATOM 1050 ND2 ASN A 65 7.015 -10.654 -7.800 1.00 0.00 N ATOM 0 H ASN A 65 3.798 -8.562 -9.527 1.00 0.00 H new ATOM 0 HA ASN A 65 5.363 -9.148 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.735 -9.356 -10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.652 -8.044 -9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.461 -11.349 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.000 -10.554 -7.796 1.00 0.00 H new ATOM 1057 N LEU A 66 5.106 -6.209 -7.848 1.00 0.00 N ATOM 1058 CA LEU A 66 5.298 -4.996 -7.058 1.00 0.00 C ATOM 1059 C LEU A 66 4.852 -5.242 -5.627 1.00 0.00 C ATOM 1060 O LEU A 66 5.214 -4.509 -4.707 1.00 0.00 O ATOM 1061 CB LEU A 66 4.513 -3.822 -7.636 1.00 0.00 C ATOM 1062 CG LEU A 66 4.549 -3.667 -9.162 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.186 -2.247 -9.550 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.916 -4.029 -9.728 1.00 0.00 C ATOM 0 H LEU A 66 4.205 -6.271 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 66 6.358 -4.744 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.473 -3.920 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.893 -2.903 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 66 3.818 -4.356 -9.585 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.215 -2.148 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.183 -2.017 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.899 -1.554 -9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.905 -3.908 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.673 -3.374 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.149 -5.065 -9.481 1.00 0.00 H new ATOM 1076 N VAL A 67 4.055 -6.289 -5.459 1.00 0.00 N ATOM 1077 CA VAL A 67 3.548 -6.678 -4.153 1.00 0.00 C ATOM 1078 C VAL A 67 3.761 -8.174 -3.927 1.00 0.00 C ATOM 1079 O VAL A 67 3.983 -8.924 -4.877 1.00 0.00 O ATOM 1080 CB VAL A 67 2.051 -6.340 -4.008 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.857 -4.845 -3.818 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.283 -6.823 -5.223 1.00 0.00 C ATOM 0 H VAL A 67 3.744 -6.890 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 67 4.101 -6.114 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 67 1.665 -6.851 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.794 -4.626 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.381 -4.522 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.257 -4.314 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.227 -6.578 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.673 -6.336 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.396 -7.903 -5.319 1.00 0.00 H new ATOM 1092 N LEU A 68 3.692 -8.601 -2.672 1.00 0.00 N ATOM 1093 CA LEU A 68 3.894 -10.007 -2.333 1.00 0.00 C ATOM 1094 C LEU A 68 2.587 -10.664 -1.910 1.00 0.00 C ATOM 1095 O LEU A 68 1.812 -10.078 -1.162 1.00 0.00 O ATOM 1096 CB LEU A 68 4.914 -10.133 -1.203 1.00 0.00 C ATOM 1097 CG LEU A 68 5.353 -11.564 -0.887 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.107 -12.165 -2.063 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.208 -11.593 0.369 1.00 0.00 C ATOM 0 H LEU A 68 3.498 -7.997 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 68 4.266 -10.515 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.796 -9.547 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.491 -9.691 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 68 4.462 -12.166 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.411 -13.183 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.460 -12.180 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.991 -11.563 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.511 -12.619 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.094 -10.976 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.633 -11.206 1.210 1.00 0.00 H new ATOM 1111 N ARG A 69 2.357 -11.887 -2.388 1.00 0.00 N ATOM 1112 CA ARG A 69 1.135 -12.624 -2.056 1.00 0.00 C ATOM 1113 C ARG A 69 1.441 -13.808 -1.139 1.00 0.00 C ATOM 1114 O ARG A 69 2.533 -14.375 -1.183 1.00 0.00 O ATOM 1115 CB ARG A 69 0.445 -13.108 -3.338 1.00 0.00 C ATOM 1116 CG ARG A 69 -0.521 -14.263 -3.126 1.00 0.00 C ATOM 1117 CD ARG A 69 -1.132 -14.725 -4.437 1.00 0.00 C ATOM 1118 NE ARG A 69 -1.861 -13.653 -5.110 1.00 0.00 N ATOM 1119 CZ ARG A 69 -2.493 -13.805 -6.269 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.487 -14.980 -6.883 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -3.134 -12.780 -6.816 1.00 0.00 N ATOM 0 H ARG A 69 2.997 -12.388 -3.004 1.00 0.00 H new ATOM 0 HA ARG A 69 0.463 -11.949 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.096 -12.273 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.207 -13.413 -4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.002 -15.095 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.313 -13.956 -2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.344 -15.095 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.807 -15.559 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.886 -12.736 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.996 -15.771 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.973 -15.093 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.142 -11.874 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.619 -12.898 -7.706 1.00 0.00 H new ATOM 1135 N THR A 70 0.465 -14.173 -0.309 1.00 0.00 N ATOM 1136 CA THR A 70 0.651 -15.281 0.621 1.00 0.00 C ATOM 1137 C THR A 70 -0.561 -16.206 0.685 1.00 0.00 C ATOM 1138 O THR A 70 -1.504 -16.097 -0.099 1.00 0.00 O ATOM 1139 CB THR A 70 0.990 -14.821 2.049 1.00 0.00 C ATOM 1140 OG1 THR A 70 -0.184 -14.348 2.707 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.047 -13.733 2.035 1.00 0.00 C ATOM 0 H THR A 70 -0.450 -13.724 -0.262 1.00 0.00 H new ATOM 0 HA THR A 70 1.502 -15.830 0.217 1.00 0.00 H new ATOM 0 HB THR A 70 1.386 -15.678 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.533 -15.048 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.267 -13.427 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.955 -14.114 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.679 -12.876 1.471 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.484 -17.116 1.645 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.486 -18.148 1.900 1.00 0.00 C ATOM 1151 C HIS A 71 -2.909 -17.798 1.437 1.00 0.00 C ATOM 1152 O HIS A 71 -3.500 -18.573 0.687 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.514 -18.349 3.410 1.00 0.00 C ATOM 1154 CG HIS A 71 -1.194 -19.735 3.860 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.949 -20.839 3.529 1.00 0.00 N ATOM 1156 CD2 HIS A 71 -0.178 -20.188 4.628 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.410 -21.916 4.076 1.00 0.00 C ATOM 1158 NE2 HIS A 71 -0.335 -21.547 4.749 1.00 0.00 N ATOM 0 H HIS A 71 0.304 -17.160 2.292 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.201 -19.033 1.331 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.804 -17.660 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.503 -18.081 3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.610 -19.592 5.065 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.785 -22.925 3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.279 -22.170 5.273 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.439 -16.654 1.904 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.805 -16.211 1.524 1.00 0.00 C ATOM 1169 C GLN A 72 -5.745 -16.282 2.740 1.00 0.00 C ATOM 1170 O GLN A 72 -6.008 -17.377 3.236 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.400 -17.036 0.375 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.708 -16.479 -0.167 1.00 0.00 C ATOM 1173 CD GLN A 72 -6.525 -15.155 -0.883 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -6.615 -14.089 -0.276 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -6.268 -15.217 -2.185 1.00 0.00 N ATOM 0 H GLN A 72 -2.953 -16.020 2.539 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.713 -15.182 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.674 -17.088 -0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.566 -18.056 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.150 -17.201 -0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.412 -16.349 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.202 -16.123 -2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.137 -14.359 -2.720 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.276 -15.134 3.253 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.031 -13.773 2.731 1.00 0.00 C ATOM 1186 C PRO A 73 -4.563 -13.512 2.440 1.00 0.00 C ATOM 1187 O PRO A 73 -3.728 -13.498 3.344 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.517 -12.873 3.864 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.596 -13.658 4.520 1.00 0.00 C ATOM 1190 CD PRO A 73 -7.180 -15.103 4.422 1.00 0.00 C ATOM 0 HA PRO A 73 -6.538 -13.605 1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.712 -12.643 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.891 -11.922 3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.719 -13.358 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.553 -13.494 4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.673 -15.435 5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.040 -15.758 4.280 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.261 -13.309 1.163 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.894 -13.099 0.739 1.00 0.00 C ATOM 1200 C ALA A 74 -2.269 -11.881 1.387 1.00 0.00 C ATOM 1201 O ALA A 74 -2.568 -10.745 1.018 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.834 -12.974 -0.775 1.00 0.00 C ATOM 0 H ALA A 74 -4.948 -13.286 0.409 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.317 -13.966 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.801 -12.816 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.215 -13.888 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.443 -12.128 -1.095 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.406 -12.125 2.361 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.703 -11.041 3.019 1.00 0.00 C ATOM 1210 C ARG A 75 0.107 -10.311 1.955 1.00 0.00 C ATOM 1211 O ARG A 75 0.844 -10.939 1.196 1.00 0.00 O ATOM 1212 CB ARG A 75 0.209 -11.606 4.114 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.520 -12.517 5.095 1.00 0.00 C ATOM 1214 CD ARG A 75 0.418 -13.532 5.737 1.00 0.00 C ATOM 1215 NE ARG A 75 -0.166 -14.132 6.933 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.425 -15.089 7.643 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.613 -15.552 7.277 1.00 0.00 N ATOM 1218 NH2 ARG A 75 -0.172 -15.583 8.718 1.00 0.00 N ATOM 0 H ARG A 75 -1.179 -13.056 2.709 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.399 -10.350 3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.023 -12.162 3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.661 -10.780 4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.987 -11.913 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.321 -13.042 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.654 -14.315 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.358 -13.044 5.997 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.079 -13.798 7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.075 -15.174 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.065 -16.286 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.086 -15.229 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.282 -16.317 9.262 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.023 -8.993 1.895 1.00 0.00 N ATOM 1233 CA TYR A 76 0.692 -8.251 0.870 1.00 0.00 C ATOM 1234 C TYR A 76 1.863 -7.462 1.429 1.00 0.00 C ATOM 1235 O TYR A 76 1.733 -6.725 2.406 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.271 -7.337 0.111 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.281 -8.106 -0.716 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -0.874 -8.882 -1.795 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.637 -8.068 -0.412 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -1.786 -9.597 -2.549 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.555 -8.782 -1.160 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.126 -9.544 -2.226 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.037 -10.254 -2.973 1.00 0.00 O ATOM 0 H TYR A 76 -0.598 -8.431 2.523 1.00 0.00 H new ATOM 0 HA TYR A 76 1.113 -8.980 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.799 -6.702 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.300 -6.677 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.175 -8.927 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.979 -7.472 0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.452 -10.193 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.605 -8.743 -0.910 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.937 -10.110 -2.614 1.00 0.00 H new ATOM 1253 N SER A 77 3.012 -7.629 0.781 1.00 0.00 N ATOM 1254 CA SER A 77 4.227 -6.940 1.197 1.00 0.00 C ATOM 1255 C SER A 77 4.922 -6.318 -0.008 1.00 0.00 C ATOM 1256 O SER A 77 5.067 -6.959 -1.048 1.00 0.00 O ATOM 1257 CB SER A 77 5.174 -7.912 1.904 1.00 0.00 C ATOM 1258 OG SER A 77 6.366 -7.259 2.306 1.00 0.00 O ATOM 0 H SER A 77 3.126 -8.234 -0.032 1.00 0.00 H new ATOM 0 HA SER A 77 3.954 -6.147 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.678 -8.339 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.416 -8.739 1.237 1.00 0.00 H new ATOM 0 HG SER A 77 6.333 -7.082 3.269 1.00 0.00 H new ATOM 1264 N LEU A 78 5.358 -5.073 0.135 1.00 0.00 N ATOM 1265 CA LEU A 78 6.027 -4.378 -0.960 1.00 0.00 C ATOM 1266 C LEU A 78 7.256 -5.135 -1.450 1.00 0.00 C ATOM 1267 O LEU A 78 8.144 -5.467 -0.664 1.00 0.00 O ATOM 1268 CB LEU A 78 6.484 -2.993 -0.513 1.00 0.00 C ATOM 1269 CG LEU A 78 5.437 -1.888 -0.551 1.00 0.00 C ATOM 1270 CD1 LEU A 78 6.096 -0.554 -0.258 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.743 -1.846 -1.901 1.00 0.00 C ATOM 0 H LEU A 78 5.262 -4.526 0.991 1.00 0.00 H new ATOM 0 HA LEU A 78 5.301 -4.305 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.861 -3.071 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.322 -2.691 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 78 4.683 -2.094 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.346 0.236 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.555 -0.584 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.861 -0.354 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.000 -1.049 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.479 -1.658 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.251 -2.801 -2.087 1.00 0.00 H new ATOM 1283 N THR A 79 7.305 -5.406 -2.750 1.00 0.00 N ATOM 1284 CA THR A 79 8.465 -6.073 -3.316 1.00 0.00 C ATOM 1285 C THR A 79 9.465 -5.001 -3.767 1.00 0.00 C ATOM 1286 O THR A 79 9.188 -3.817 -3.600 1.00 0.00 O ATOM 1287 CB THR A 79 8.049 -6.979 -4.494 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.645 -6.862 -4.724 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.388 -8.437 -4.211 1.00 0.00 C ATOM 0 H THR A 79 6.569 -5.178 -3.418 1.00 0.00 H new ATOM 0 HA THR A 79 8.931 -6.713 -2.567 1.00 0.00 H new ATOM 0 HB THR A 79 8.600 -6.656 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.419 -7.272 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.084 -9.052 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.462 -8.537 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.861 -8.766 -3.316 1.00 0.00 H new ATOM 1297 N PRO A 80 10.636 -5.366 -4.329 1.00 0.00 N ATOM 1298 CA PRO A 80 11.632 -4.376 -4.767 1.00 0.00 C ATOM 1299 C PRO A 80 11.033 -3.193 -5.522 1.00 0.00 C ATOM 1300 O PRO A 80 11.306 -2.039 -5.191 1.00 0.00 O ATOM 1301 CB PRO A 80 12.518 -5.194 -5.697 1.00 0.00 C ATOM 1302 CG PRO A 80 12.501 -6.558 -5.108 1.00 0.00 C ATOM 1303 CD PRO A 80 11.115 -6.748 -4.549 1.00 0.00 C ATOM 0 HA PRO A 80 12.144 -3.920 -3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.132 -5.195 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.530 -4.791 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.725 -7.312 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.254 -6.656 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.473 -7.289 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.132 -7.319 -3.621 1.00 0.00 H new ATOM 1311 N GLU A 81 10.220 -3.475 -6.528 1.00 0.00 N ATOM 1312 CA GLU A 81 9.608 -2.414 -7.316 1.00 0.00 C ATOM 1313 C GLU A 81 8.615 -1.603 -6.487 1.00 0.00 C ATOM 1314 O GLU A 81 8.641 -0.373 -6.512 1.00 0.00 O ATOM 1315 CB GLU A 81 8.917 -3.000 -8.543 1.00 0.00 C ATOM 1316 CG GLU A 81 9.855 -3.760 -9.465 1.00 0.00 C ATOM 1317 CD GLU A 81 9.158 -4.279 -10.708 1.00 0.00 C ATOM 1318 OE1 GLU A 81 9.119 -3.544 -11.717 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.651 -5.419 -10.672 1.00 0.00 O ATOM 0 H GLU A 81 9.970 -4.421 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 81 10.400 -1.740 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.121 -3.669 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.445 -2.193 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.677 -3.107 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.292 -4.598 -8.922 1.00 0.00 H new ATOM 1326 N GLY A 82 7.739 -2.289 -5.757 1.00 0.00 N ATOM 1327 CA GLY A 82 6.772 -1.571 -4.942 1.00 0.00 C ATOM 1328 C GLY A 82 7.445 -0.744 -3.870 1.00 0.00 C ATOM 1329 O GLY A 82 6.910 0.270 -3.432 1.00 0.00 O ATOM 0 H GLY A 82 7.680 -3.306 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.171 -0.921 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.089 -2.282 -4.477 1.00 0.00 H new ATOM 1333 N LEU A 83 8.622 -1.188 -3.445 1.00 0.00 N ATOM 1334 CA LEU A 83 9.381 -0.483 -2.426 1.00 0.00 C ATOM 1335 C LEU A 83 9.886 0.836 -2.982 1.00 0.00 C ATOM 1336 O LEU A 83 9.720 1.889 -2.368 1.00 0.00 O ATOM 1337 CB LEU A 83 10.564 -1.336 -1.959 1.00 0.00 C ATOM 1338 CG LEU A 83 10.735 -1.455 -0.441 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.913 -0.086 0.198 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.544 -2.167 0.174 1.00 0.00 C ATOM 0 H LEU A 83 9.070 -2.036 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 83 8.730 -0.289 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.453 -2.338 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.479 -0.917 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 83 11.634 -2.041 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.032 -0.200 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.798 0.396 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.036 0.528 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.682 -2.243 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.635 -1.604 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.458 -3.167 -0.252 1.00 0.00 H new ATOM 1352 N GLU A 84 10.503 0.765 -4.155 1.00 0.00 N ATOM 1353 CA GLU A 84 11.027 1.968 -4.795 1.00 0.00 C ATOM 1354 C GLU A 84 9.895 2.918 -5.135 1.00 0.00 C ATOM 1355 O GLU A 84 9.941 4.101 -4.801 1.00 0.00 O ATOM 1356 CB GLU A 84 11.798 1.616 -6.068 1.00 0.00 C ATOM 1357 CG GLU A 84 12.967 0.679 -5.833 1.00 0.00 C ATOM 1358 CD GLU A 84 13.737 0.377 -7.103 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.382 -0.601 -7.794 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.695 1.118 -7.408 1.00 0.00 O ATOM 0 H GLU A 84 10.652 -0.098 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 84 11.708 2.452 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.114 1.157 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.166 2.535 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.641 1.122 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.600 -0.254 -5.405 1.00 0.00 H new ATOM 1367 N LEU A 85 8.875 2.383 -5.795 1.00 0.00 N ATOM 1368 CA LEU A 85 7.735 3.191 -6.177 1.00 0.00 C ATOM 1369 C LEU A 85 7.094 3.822 -4.949 1.00 0.00 C ATOM 1370 O LEU A 85 6.798 5.013 -4.939 1.00 0.00 O ATOM 1371 CB LEU A 85 6.716 2.328 -6.920 1.00 0.00 C ATOM 1372 CG LEU A 85 6.530 2.666 -8.401 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.573 1.681 -9.055 1.00 0.00 C ATOM 1374 CD2 LEU A 85 6.023 4.090 -8.567 1.00 0.00 C ATOM 0 H LEU A 85 8.818 1.403 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 85 8.075 3.990 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.019 1.284 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.752 2.420 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 85 7.499 2.588 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.452 1.936 -10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.975 0.672 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.605 1.729 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.897 4.310 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.065 4.197 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.743 4.785 -8.135 1.00 0.00 H new ATOM 1386 N ALA A 86 6.902 3.019 -3.908 1.00 0.00 N ATOM 1387 CA ALA A 86 6.288 3.510 -2.678 1.00 0.00 C ATOM 1388 C ALA A 86 7.017 4.735 -2.148 1.00 0.00 C ATOM 1389 O ALA A 86 6.387 5.702 -1.725 1.00 0.00 O ATOM 1390 CB ALA A 86 6.253 2.422 -1.623 1.00 0.00 C ATOM 0 H ALA A 86 7.160 2.032 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 86 5.264 3.800 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.791 2.810 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.673 1.576 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.270 2.096 -1.402 1.00 0.00 H new ATOM 1396 N GLN A 87 8.345 4.689 -2.162 1.00 0.00 N ATOM 1397 CA GLN A 87 9.134 5.821 -1.696 1.00 0.00 C ATOM 1398 C GLN A 87 8.743 7.058 -2.486 1.00 0.00 C ATOM 1399 O GLN A 87 8.730 8.173 -1.966 1.00 0.00 O ATOM 1400 CB GLN A 87 10.629 5.544 -1.865 1.00 0.00 C ATOM 1401 CG GLN A 87 11.147 4.424 -0.979 1.00 0.00 C ATOM 1402 CD GLN A 87 12.632 4.176 -1.161 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.462 4.773 -0.475 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.974 3.290 -2.088 1.00 0.00 N ATOM 0 H GLN A 87 8.891 3.891 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 87 8.935 5.981 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.827 5.292 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.185 6.455 -1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.949 4.670 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.600 3.508 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.253 2.818 -2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.958 3.081 -2.255 1.00 0.00 H new ATOM 1413 N LYS A 88 8.421 6.832 -3.753 1.00 0.00 N ATOM 1414 CA LYS A 88 8.012 7.910 -4.639 1.00 0.00 C ATOM 1415 C LYS A 88 6.614 8.406 -4.285 1.00 0.00 C ATOM 1416 O LYS A 88 6.394 9.604 -4.102 1.00 0.00 O ATOM 1417 CB LYS A 88 8.044 7.422 -6.081 1.00 0.00 C ATOM 1418 CG LYS A 88 9.312 6.652 -6.417 1.00 0.00 C ATOM 1419 CD LYS A 88 9.303 6.124 -7.840 1.00 0.00 C ATOM 1420 CE LYS A 88 10.492 5.211 -8.093 1.00 0.00 C ATOM 1421 NZ LYS A 88 11.784 5.948 -8.015 1.00 0.00 N ATOM 0 H LYS A 88 8.436 5.910 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 88 8.706 8.742 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.179 6.784 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.956 8.277 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.177 7.301 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.424 5.819 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.377 5.579 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.326 6.958 -8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.491 4.402 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.395 4.752 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.562 5.316 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.757 6.766 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.937 6.278 -7.041 1.00 0.00 H new ATOM 1435 N LEU A 89 5.669 7.473 -4.197 1.00 0.00 N ATOM 1436 CA LEU A 89 4.299 7.812 -3.850 1.00 0.00 C ATOM 1437 C LEU A 89 4.263 8.540 -2.515 1.00 0.00 C ATOM 1438 O LEU A 89 3.345 9.307 -2.226 1.00 0.00 O ATOM 1439 CB LEU A 89 3.457 6.537 -3.771 1.00 0.00 C ATOM 1440 CG LEU A 89 3.021 5.953 -5.119 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.221 5.632 -5.996 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.176 4.706 -4.909 1.00 0.00 C ATOM 0 H LEU A 89 5.830 6.479 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 89 3.889 8.467 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.026 5.779 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.566 6.746 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 89 2.421 6.706 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.878 5.219 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.791 6.543 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.856 4.903 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.875 4.304 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.758 3.958 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.289 4.961 -4.330 1.00 0.00 H new ATOM 1454 N ALA A 90 5.282 8.284 -1.709 1.00 0.00 N ATOM 1455 CA ALA A 90 5.387 8.898 -0.390 1.00 0.00 C ATOM 1456 C ALA A 90 5.843 10.351 -0.486 1.00 0.00 C ATOM 1457 O ALA A 90 5.469 11.184 0.338 1.00 0.00 O ATOM 1458 CB ALA A 90 6.342 8.098 0.478 1.00 0.00 C ATOM 0 H ALA A 90 6.050 7.655 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 90 4.398 8.893 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.416 8.562 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.970 7.079 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.327 8.078 0.012 1.00 0.00 H new ATOM 1464 N GLU A 91 6.654 10.643 -1.496 1.00 0.00 N ATOM 1465 CA GLU A 91 7.159 11.997 -1.697 1.00 0.00 C ATOM 1466 C GLU A 91 6.003 12.984 -1.754 1.00 0.00 C ATOM 1467 O GLU A 91 6.048 14.058 -1.154 1.00 0.00 O ATOM 1468 CB GLU A 91 7.969 12.092 -2.987 1.00 0.00 C ATOM 1469 CG GLU A 91 8.940 10.949 -3.165 1.00 0.00 C ATOM 1470 CD GLU A 91 9.712 11.034 -4.466 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.151 10.662 -5.518 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.880 11.478 -4.435 1.00 0.00 O ATOM 0 H GLU A 91 6.975 9.964 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 91 7.808 12.242 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.286 12.116 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.520 13.033 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.642 10.941 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.394 10.006 -3.132 1.00 0.00 H new ATOM 1479 N SER A 92 4.969 12.599 -2.489 1.00 0.00 N ATOM 1480 CA SER A 92 3.786 13.428 -2.647 1.00 0.00 C ATOM 1481 C SER A 92 3.094 13.670 -1.307 1.00 0.00 C ATOM 1482 O SER A 92 2.471 14.711 -1.101 1.00 0.00 O ATOM 1483 CB SER A 92 2.825 12.757 -3.625 1.00 0.00 C ATOM 1484 OG SER A 92 1.670 13.551 -3.835 1.00 0.00 O ATOM 0 H SER A 92 4.928 11.710 -2.988 1.00 0.00 H new ATOM 0 HA SER A 92 4.092 14.398 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.330 12.586 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.533 11.780 -3.239 1.00 0.00 H new ATOM 0 HG SER A 92 1.072 13.099 -4.466 1.00 0.00 H new ATOM 1490 N GLU A 93 3.208 12.705 -0.399 1.00 0.00 N ATOM 1491 CA GLU A 93 2.593 12.826 0.915 1.00 0.00 C ATOM 1492 C GLU A 93 3.555 13.484 1.893 1.00 0.00 C ATOM 1493 O GLU A 93 3.229 13.680 3.063 1.00 0.00 O ATOM 1494 CB GLU A 93 2.219 11.443 1.440 1.00 0.00 C ATOM 1495 CG GLU A 93 1.534 10.559 0.415 1.00 0.00 C ATOM 1496 CD GLU A 93 0.131 11.028 0.082 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.820 10.585 0.760 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.017 11.836 -0.859 1.00 0.00 O ATOM 0 H GLU A 93 3.719 11.835 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 93 1.698 13.442 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.121 10.943 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.562 11.558 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.131 10.537 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.491 9.538 0.793 1.00 0.00 H new ATOM 1505 N GLY A 94 4.742 13.821 1.402 1.00 0.00 N ATOM 1506 CA GLY A 94 5.731 14.415 2.275 1.00 0.00 C ATOM 1507 C GLY A 94 6.420 13.345 3.088 1.00 0.00 C ATOM 1508 O GLY A 94 7.270 13.628 3.933 1.00 0.00 O ATOM 0 H GLY A 94 5.032 13.696 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.466 14.963 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.254 15.136 2.939 1.00 0.00 H new ATOM 1512 N LEU A 95 6.032 12.100 2.816 1.00 0.00 N ATOM 1513 CA LEU A 95 6.583 10.937 3.496 1.00 0.00 C ATOM 1514 C LEU A 95 6.315 11.009 4.994 1.00 0.00 C ATOM 1515 O LEU A 95 7.095 10.506 5.802 1.00 0.00 O ATOM 1516 CB LEU A 95 8.083 10.822 3.226 1.00 0.00 C ATOM 1517 CG LEU A 95 8.570 9.422 2.836 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.083 9.330 2.958 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.895 8.353 3.687 1.00 0.00 C ATOM 0 H LEU A 95 5.325 11.873 2.116 1.00 0.00 H new ATOM 0 HA LEU A 95 6.090 10.047 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.347 11.516 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.622 11.142 4.118 1.00 0.00 H new ATOM 0 HG LEU A 95 8.297 9.246 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.410 8.329 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.547 10.062 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.378 9.533 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.258 7.369 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.128 8.524 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.816 8.401 3.542 1.00 0.00 H new ATOM 1531 N SER A 96 5.194 11.625 5.353 1.00 0.00 N ATOM 1532 CA SER A 96 4.816 11.758 6.753 1.00 0.00 C ATOM 1533 C SER A 96 3.949 10.579 7.183 1.00 0.00 C ATOM 1534 O SER A 96 3.032 10.730 7.991 1.00 0.00 O ATOM 1535 CB SER A 96 4.061 13.071 6.971 1.00 0.00 C ATOM 1536 OG SER A 96 4.879 14.186 6.663 1.00 0.00 O ATOM 0 H SER A 96 4.533 12.039 4.695 1.00 0.00 H new ATOM 0 HA SER A 96 5.722 11.765 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.167 13.088 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.728 13.135 8.007 1.00 0.00 H new ATOM 0 HG SER A 96 4.373 15.013 6.809 1.00 0.00 H new ATOM 1542 N LEU A 97 4.256 9.401 6.647 1.00 0.00 N ATOM 1543 CA LEU A 97 3.490 8.206 6.979 1.00 0.00 C ATOM 1544 C LEU A 97 4.138 7.457 8.137 1.00 0.00 C ATOM 1545 O LEU A 97 3.565 7.361 9.222 1.00 0.00 O ATOM 1546 CB LEU A 97 3.375 7.288 5.760 1.00 0.00 C ATOM 1547 CG LEU A 97 2.741 7.924 4.519 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.745 8.804 3.786 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.198 6.847 3.595 1.00 0.00 C ATOM 0 H LEU A 97 5.020 9.250 5.989 1.00 0.00 H new ATOM 0 HA LEU A 97 2.490 8.516 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.372 6.934 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.789 6.413 6.039 1.00 0.00 H new ATOM 0 HG LEU A 97 1.913 8.556 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.271 9.244 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.086 9.598 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.597 8.201 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.750 7.313 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.011 6.191 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.443 6.263 4.121 1.00 0.00 H new ATOM 1561 N LEU A 98 5.332 6.917 7.886 1.00 0.00 N ATOM 1562 CA LEU A 98 6.073 6.188 8.915 1.00 0.00 C ATOM 1563 C LEU A 98 5.871 6.807 10.295 1.00 0.00 C ATOM 1564 O LEU A 98 5.212 6.224 11.157 1.00 0.00 O ATOM 1565 CB LEU A 98 7.565 6.177 8.579 1.00 0.00 C ATOM 1566 CG LEU A 98 7.945 5.390 7.325 1.00 0.00 C ATOM 1567 CD1 LEU A 98 9.392 5.664 6.946 1.00 0.00 C ATOM 1568 CD2 LEU A 98 7.725 3.902 7.551 1.00 0.00 C ATOM 0 H LEU A 98 5.804 6.971 6.983 1.00 0.00 H new ATOM 0 HA LEU A 98 5.690 5.168 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.901 7.207 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.109 5.762 9.428 1.00 0.00 H new ATOM 0 HG LEU A 98 7.307 5.714 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.647 5.096 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.521 6.728 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.046 5.364 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.999 3.353 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.343 3.565 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.675 3.720 7.781 1.00 0.00 H new ATOM 1580 N ASN A 99 6.443 7.988 10.496 1.00 0.00 N ATOM 1581 CA ASN A 99 6.328 8.684 11.771 1.00 0.00 C ATOM 1582 C ASN A 99 5.279 9.790 11.695 1.00 0.00 C ATOM 1583 O ASN A 99 5.176 10.492 10.688 1.00 0.00 O ATOM 1584 CB ASN A 99 7.679 9.273 12.180 1.00 0.00 C ATOM 1585 CG ASN A 99 8.751 8.212 12.330 1.00 0.00 C ATOM 1586 OD1 ASN A 99 8.940 7.652 13.409 1.00 0.00 O ATOM 1587 ND2 ASN A 99 9.460 7.930 11.242 1.00 0.00 N ATOM 0 H ASN A 99 6.991 8.483 9.793 1.00 0.00 H new ATOM 0 HA ASN A 99 6.013 7.961 12.523 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.995 10.002 11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.568 9.809 13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.195 7.224 11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.269 8.419 10.368 1.00 0.00 H new ATOM 1594 N VAL A 100 4.505 9.940 12.765 1.00 0.00 N ATOM 1595 CA VAL A 100 3.465 10.960 12.820 1.00 0.00 C ATOM 1596 C VAL A 100 3.472 11.681 14.164 1.00 0.00 C ATOM 1597 O VAL A 100 3.800 11.092 15.194 1.00 0.00 O ATOM 1598 CB VAL A 100 2.068 10.355 12.580 1.00 0.00 C ATOM 1599 CG1 VAL A 100 1.975 9.762 11.183 1.00 0.00 C ATOM 1600 CG2 VAL A 100 1.752 9.304 13.634 1.00 0.00 C ATOM 0 H VAL A 100 4.579 9.368 13.606 1.00 0.00 H new ATOM 0 HA VAL A 100 3.682 11.675 12.026 1.00 0.00 H new ATOM 0 HB VAL A 100 1.329 11.152 12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.981 9.340 11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.153 10.543 10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.723 8.978 11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.762 8.888 13.448 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.495 8.507 13.588 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.773 9.762 14.623 1.00 0.00 H new ATOM 1610 N GLY A 101 3.110 12.960 14.146 1.00 0.00 N ATOM 1611 CA GLY A 101 3.081 13.739 15.369 1.00 0.00 C ATOM 1612 C GLY A 101 2.163 14.942 15.270 1.00 0.00 C ATOM 1613 O GLY A 101 2.582 16.016 14.840 1.00 0.00 O ATOM 0 H GLY A 101 2.836 13.470 13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.755 13.104 16.193 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.091 14.075 15.606 1.00 0.00 H new ATOM 1617 N ILE A 102 0.909 14.761 15.671 1.00 0.00 N ATOM 1618 CA ILE A 102 -0.071 15.838 15.626 1.00 0.00 C ATOM 1619 C ILE A 102 -0.125 16.587 16.954 1.00 0.00 C ATOM 1620 O ILE A 102 -0.383 17.790 16.990 1.00 0.00 O ATOM 1621 CB ILE A 102 -1.479 15.303 15.285 1.00 0.00 C ATOM 1622 CG1 ILE A 102 -2.490 16.451 15.210 1.00 0.00 C ATOM 1623 CG2 ILE A 102 -1.918 14.271 16.314 1.00 0.00 C ATOM 1624 CD1 ILE A 102 -2.196 17.449 14.110 1.00 0.00 C ATOM 0 H ILE A 102 0.548 13.878 16.031 1.00 0.00 H new ATOM 0 HA ILE A 102 0.246 16.524 14.841 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.437 14.821 14.308 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.486 16.037 15.056 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.506 16.972 16.167 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.912 13.904 16.060 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.214 13.439 16.318 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.943 14.730 17.302 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.953 18.233 14.118 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.214 17.892 14.274 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.209 16.942 13.145 1.00 0.00 H new ATOM 1636 N GLY A 103 0.124 15.866 18.044 1.00 0.00 N ATOM 1637 CA GLY A 103 0.100 16.482 19.358 1.00 0.00 C ATOM 1638 C GLY A 103 1.000 15.770 20.349 1.00 0.00 C ATOM 1639 O GLY A 103 2.187 16.144 20.447 1.00 0.00 O ATOM 1640 OXT GLY A 103 0.518 14.838 21.026 1.00 0.00 O ATOM 0 H GLY A 103 0.341 14.869 18.040 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.410 17.523 19.273 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.922 16.484 19.736 1.00 0.00 H new TER 1644 GLY A 103