USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 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: B 19 LYS NZ :NH3+ 148:sc= -1.19! (180deg=-2.91!) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 44 THR OG1 : rot 147:sc= 1.38 USER MOD Set 2.2: B 47 SER OG : rot -84:sc= 0.546! USER MOD Set 3.1: A 44 THR OG1 : rot 147:sc= 1.38 USER MOD Set 3.2: A 47 SER OG : rot -80:sc= 0.231! USER MOD Set 4.1: A 19 LYS NZ :NH3+ 144:sc= -0.939! (180deg=-3.01!) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 169:sc= -0.629 USER MOD Single : A 14 SER OG : rot -87:sc= 1.46 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.132! USER MOD Single : A 23 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.022) USER MOD Single : A 28 TYR OH : rot -35:sc= 0.211 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 44:sc= -1.35 USER MOD Single : A 32 SER OG : rot -130:sc= -0.223 USER MOD Single : A 33 SER OG : rot 180:sc= -0.151 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.29! K(o=-1.3!,f=0) USER MOD Single : A 43 GLN : amide:sc= -3.02! C(o=-3!,f=-5!) USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= -1.79 (180deg=-3.63!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.11) USER MOD Single : A 49 GLN : amide:sc=-0.00147 K(o=-0.0015,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 164:sc= -0.565 USER MOD Single : B 14 SER OG : rot -78:sc= 1.37 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 60:sc= 0.0624! USER MOD Single : B 23 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : B 28 TYR OH : rot -37:sc= 0.211 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 30:sc= -1.43! USER MOD Single : B 32 SER OG : rot -130:sc= -0.226 USER MOD Single : B 33 SER OG : rot 180:sc= -0.145 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : B 43 GLN : amide:sc= -3.07! C(o=-3.1!,f=-5.1!) USER MOD Single : B 45 LYS NZ :NH3+ -124:sc= -1.83 (180deg=-3.58!) USER MOD Single : B 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.113) USER MOD Single : B 49 GLN : amide:sc=-0.00519 K(o=-0.0052,f=-3.1!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.079 9.417 -3.934 1.00 0.00 N ATOM 52 CA SER A 5 -11.591 9.900 -2.616 1.00 0.00 C ATOM 53 C SER A 5 -10.591 9.540 -1.504 1.00 0.00 C ATOM 54 O SER A 5 -10.022 10.405 -0.868 1.00 0.00 O ATOM 55 CB SER A 5 -12.967 9.266 -2.345 1.00 0.00 C ATOM 56 OG SER A 5 -13.904 10.297 -2.061 1.00 0.00 O ATOM 0 HA SER A 5 -11.701 10.984 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.293 8.689 -3.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.904 8.573 -1.506 1.00 0.00 H new ATOM 0 HG SER A 5 -14.784 9.901 -1.889 1.00 0.00 H new ATOM 62 N ASP A 6 -10.373 8.273 -1.266 1.00 0.00 N ATOM 63 CA ASP A 6 -9.408 7.865 -0.196 1.00 0.00 C ATOM 64 C ASP A 6 -8.890 6.445 -0.479 1.00 0.00 C ATOM 65 O ASP A 6 -9.213 5.524 0.243 1.00 0.00 O ATOM 66 CB ASP A 6 -10.111 7.882 1.171 1.00 0.00 C ATOM 67 CG ASP A 6 -9.062 7.912 2.287 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.175 8.745 2.216 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.165 7.101 3.192 1.00 0.00 O ATOM 0 H ASP A 6 -10.819 7.503 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.572 8.564 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.762 8.753 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.744 7.001 1.277 1.00 0.00 H new ATOM 74 N PRO A 7 -8.103 6.297 -1.524 1.00 0.00 N ATOM 75 CA PRO A 7 -7.554 4.978 -1.890 1.00 0.00 C ATOM 76 C PRO A 7 -6.602 4.483 -0.778 1.00 0.00 C ATOM 77 O PRO A 7 -6.241 5.245 0.097 1.00 0.00 O ATOM 78 CB PRO A 7 -6.797 5.219 -3.220 1.00 0.00 C ATOM 79 CG PRO A 7 -6.896 6.739 -3.548 1.00 0.00 C ATOM 80 CD PRO A 7 -7.706 7.409 -2.415 1.00 0.00 C ATOM 0 HA PRO A 7 -8.322 4.213 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.755 4.914 -3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.234 4.625 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.902 7.181 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.384 6.892 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.106 8.147 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.578 7.931 -2.808 1.00 0.00 H new ATOM 88 N PRO A 8 -6.216 3.222 -0.843 1.00 0.00 N ATOM 89 CA PRO A 8 -5.301 2.640 0.162 1.00 0.00 C ATOM 90 C PRO A 8 -3.947 3.367 0.122 1.00 0.00 C ATOM 91 O PRO A 8 -3.842 4.481 -0.353 1.00 0.00 O ATOM 92 CB PRO A 8 -5.152 1.155 -0.251 1.00 0.00 C ATOM 93 CG PRO A 8 -5.890 0.974 -1.610 1.00 0.00 C ATOM 94 CD PRO A 8 -6.650 2.286 -1.903 1.00 0.00 C ATOM 0 HA PRO A 8 -5.676 2.737 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.100 0.887 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.580 0.501 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.179 0.757 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.581 0.133 -1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.407 2.671 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.729 2.132 -1.877 1.00 0.00 H new ATOM 102 N THR A 9 -2.910 2.740 0.616 1.00 0.00 N ATOM 103 CA THR A 9 -1.565 3.387 0.605 1.00 0.00 C ATOM 104 C THR A 9 -0.478 2.315 0.628 1.00 0.00 C ATOM 105 O THR A 9 -0.488 1.418 1.448 1.00 0.00 O ATOM 106 CB THR A 9 -1.415 4.280 1.836 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.571 5.096 1.970 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.176 5.165 1.680 1.00 0.00 C ATOM 0 H THR A 9 -2.938 1.807 1.027 1.00 0.00 H new ATOM 0 HA THR A 9 -1.466 3.989 -0.299 1.00 0.00 H new ATOM 0 HB THR A 9 -1.304 3.659 2.725 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.557 5.542 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.070 5.801 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.709 4.537 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.283 5.788 0.792 1.00 0.00 H new ATOM 116 N ALA A 10 0.460 2.405 -0.272 1.00 0.00 N ATOM 117 CA ALA A 10 1.556 1.399 -0.315 1.00 0.00 C ATOM 118 C ALA A 10 2.457 1.566 0.909 1.00 0.00 C ATOM 119 O ALA A 10 3.511 2.166 0.835 1.00 0.00 O ATOM 120 CB ALA A 10 2.378 1.614 -1.584 1.00 0.00 C ATOM 0 H ALA A 10 0.515 3.135 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 10 1.132 0.395 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.184 0.881 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.737 1.496 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.801 2.618 -1.578 1.00 0.00 H new ATOM 126 N CYS A 11 2.054 1.029 2.033 1.00 0.00 N ATOM 127 CA CYS A 11 2.884 1.136 3.275 1.00 0.00 C ATOM 128 C CYS A 11 3.476 -0.240 3.588 1.00 0.00 C ATOM 129 O CYS A 11 2.803 -1.247 3.508 1.00 0.00 O ATOM 130 CB CYS A 11 2.000 1.590 4.440 1.00 0.00 C ATOM 131 SG CYS A 11 1.180 3.147 4.007 1.00 0.00 S ATOM 0 H CYS A 11 1.179 0.517 2.146 1.00 0.00 H new ATOM 0 HA CYS A 11 3.685 1.861 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.256 0.826 4.665 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.603 1.722 5.338 1.00 0.00 H new ATOM 136 N CYS A 12 4.733 -0.293 3.933 1.00 0.00 N ATOM 137 CA CYS A 12 5.364 -1.608 4.238 1.00 0.00 C ATOM 138 C CYS A 12 4.846 -2.126 5.581 1.00 0.00 C ATOM 139 O CYS A 12 4.626 -1.369 6.506 1.00 0.00 O ATOM 140 CB CYS A 12 6.885 -1.445 4.306 1.00 0.00 C ATOM 141 SG CYS A 12 7.519 -0.983 2.674 1.00 0.00 S ATOM 0 H CYS A 12 5.349 0.515 4.017 1.00 0.00 H new ATOM 0 HA CYS A 12 5.111 -2.320 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.147 -0.682 5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.346 -2.376 4.637 1.00 0.00 H new ATOM 146 N PHE A 13 4.654 -3.415 5.693 1.00 0.00 N ATOM 147 CA PHE A 13 4.154 -4.006 6.973 1.00 0.00 C ATOM 148 C PHE A 13 5.330 -4.653 7.708 1.00 0.00 C ATOM 149 O PHE A 13 5.279 -4.897 8.897 1.00 0.00 O ATOM 150 CB PHE A 13 3.104 -5.076 6.659 1.00 0.00 C ATOM 151 CG PHE A 13 3.759 -6.218 5.920 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.042 -6.098 4.547 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.093 -7.401 6.608 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.658 -7.161 3.860 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.710 -8.463 5.922 1.00 0.00 C ATOM 156 CZ PHE A 13 4.993 -8.344 4.547 1.00 0.00 C ATOM 0 H PHE A 13 4.823 -4.090 4.947 1.00 0.00 H new ATOM 0 HA PHE A 13 3.708 -3.229 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.650 -5.438 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.303 -4.649 6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.787 -5.190 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.875 -7.493 7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.874 -7.069 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.967 -9.370 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.466 -9.159 4.020 1.00 0.00 H new ATOM 166 N SER A 14 6.388 -4.931 6.997 1.00 0.00 N ATOM 167 CA SER A 14 7.578 -5.562 7.629 1.00 0.00 C ATOM 168 C SER A 14 8.812 -5.237 6.787 1.00 0.00 C ATOM 169 O SER A 14 8.878 -4.210 6.141 1.00 0.00 O ATOM 170 CB SER A 14 7.384 -7.078 7.688 1.00 0.00 C ATOM 171 OG SER A 14 7.278 -7.589 6.366 1.00 0.00 O ATOM 0 H SER A 14 6.478 -4.746 5.998 1.00 0.00 H new ATOM 0 HA SER A 14 7.707 -5.179 8.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.223 -7.544 8.204 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.486 -7.320 8.257 1.00 0.00 H new ATOM 0 HG SER A 14 6.345 -7.543 6.071 1.00 0.00 H new ATOM 177 N TYR A 15 9.795 -6.098 6.788 1.00 0.00 N ATOM 178 CA TYR A 15 11.023 -5.825 5.983 1.00 0.00 C ATOM 179 C TYR A 15 11.707 -7.144 5.627 1.00 0.00 C ATOM 180 O TYR A 15 11.454 -8.170 6.227 1.00 0.00 O ATOM 181 CB TYR A 15 11.988 -4.954 6.799 1.00 0.00 C ATOM 182 CG TYR A 15 11.211 -3.897 7.547 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.723 -4.167 8.841 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.973 -2.644 6.953 1.00 0.00 C ATOM 185 CE1 TYR A 15 9.999 -3.183 9.539 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.248 -1.660 7.652 1.00 0.00 C ATOM 187 CZ TYR A 15 9.761 -1.929 8.945 1.00 0.00 C ATOM 188 OH TYR A 15 9.051 -0.964 9.630 1.00 0.00 O ATOM 0 H TYR A 15 9.802 -6.975 7.309 1.00 0.00 H new ATOM 0 HA TYR A 15 10.745 -5.302 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.547 -5.573 7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.716 -4.484 6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 15 10.905 -5.129 9.297 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.346 -2.437 5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.626 -3.390 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.065 -0.698 7.196 1.00 0.00 H new ATOM 0 HH TYR A 15 8.978 -0.158 9.078 1.00 0.00 H new ATOM 198 N THR A 16 12.574 -7.120 4.655 1.00 0.00 N ATOM 199 CA THR A 16 13.278 -8.372 4.262 1.00 0.00 C ATOM 200 C THR A 16 14.063 -8.904 5.463 1.00 0.00 C ATOM 201 O THR A 16 13.864 -8.477 6.583 1.00 0.00 O ATOM 202 CB THR A 16 14.227 -8.083 3.093 1.00 0.00 C ATOM 203 OG1 THR A 16 15.030 -9.225 2.834 1.00 0.00 O ATOM 204 CG2 THR A 16 15.125 -6.893 3.434 1.00 0.00 C ATOM 0 H THR A 16 12.825 -6.291 4.117 1.00 0.00 H new ATOM 0 HA THR A 16 12.553 -9.122 3.947 1.00 0.00 H new ATOM 0 HB THR A 16 13.638 -7.846 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.634 -9.037 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.797 -6.693 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.508 -6.014 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.711 -7.123 4.324 1.00 0.00 H new ATOM 212 N ALA A 17 14.955 -9.831 5.239 1.00 0.00 N ATOM 213 CA ALA A 17 15.763 -10.397 6.360 1.00 0.00 C ATOM 214 C ALA A 17 17.195 -10.597 5.871 1.00 0.00 C ATOM 215 O ALA A 17 17.998 -11.256 6.501 1.00 0.00 O ATOM 216 CB ALA A 17 15.171 -11.743 6.784 1.00 0.00 C ATOM 0 H ALA A 17 15.161 -10.224 4.321 1.00 0.00 H new ATOM 0 HA ALA A 17 15.752 -9.719 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.760 -12.158 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.142 -11.600 7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.189 -12.431 5.939 1.00 0.00 H new ATOM 222 N ARG A 18 17.516 -10.018 4.744 1.00 0.00 N ATOM 223 CA ARG A 18 18.894 -10.143 4.184 1.00 0.00 C ATOM 224 C ARG A 18 19.320 -8.790 3.616 1.00 0.00 C ATOM 225 O ARG A 18 18.663 -8.230 2.761 1.00 0.00 O ATOM 226 CB ARG A 18 18.906 -11.187 3.057 1.00 0.00 C ATOM 227 CG ARG A 18 18.580 -12.594 3.613 1.00 0.00 C ATOM 228 CD ARG A 18 17.086 -12.904 3.441 1.00 0.00 C ATOM 229 NE ARG A 18 16.765 -14.188 4.128 1.00 0.00 N ATOM 230 CZ ARG A 18 15.522 -14.513 4.355 1.00 0.00 C ATOM 231 NH1 ARG A 18 14.558 -13.719 3.976 1.00 0.00 N ATOM 232 NH2 ARG A 18 15.242 -15.635 4.962 1.00 0.00 N ATOM 0 H ARG A 18 16.875 -9.458 4.182 1.00 0.00 H new ATOM 0 HA ARG A 18 19.580 -10.455 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.177 -10.914 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.884 -11.198 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.176 -13.344 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.850 -12.647 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.485 -12.096 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.837 -12.973 2.382 1.00 0.00 H new ATOM 0 HE ARG A 18 17.517 -14.812 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.776 -12.843 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.587 -13.975 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.995 -16.256 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.271 -15.890 5.140 1.00 0.00 H new ATOM 246 N LYS A 19 20.415 -8.259 4.082 1.00 0.00 N ATOM 247 CA LYS A 19 20.881 -6.943 3.567 1.00 0.00 C ATOM 248 C LYS A 19 21.198 -7.083 2.073 1.00 0.00 C ATOM 249 O LYS A 19 21.946 -7.948 1.665 1.00 0.00 O ATOM 250 CB LYS A 19 22.130 -6.522 4.355 1.00 0.00 C ATOM 251 CG LYS A 19 22.861 -5.385 3.653 1.00 0.00 C ATOM 252 CD LYS A 19 23.947 -4.871 4.591 1.00 0.00 C ATOM 253 CE LYS A 19 24.835 -3.887 3.851 1.00 0.00 C ATOM 254 NZ LYS A 19 23.986 -2.894 3.141 1.00 0.00 N ATOM 0 H LYS A 19 21.008 -8.680 4.798 1.00 0.00 H new ATOM 0 HA LYS A 19 20.112 -6.180 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 19 21.843 -6.209 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 19 22.799 -7.375 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.299 -5.734 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.166 -4.584 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.495 -4.388 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.543 -5.704 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.498 -3.380 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.468 -4.416 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.449 -1.963 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.855 -3.192 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.059 -2.832 3.609 1.00 0.00 H new ATOM 268 N LEU A 20 20.616 -6.247 1.255 1.00 0.00 N ATOM 269 CA LEU A 20 20.862 -6.341 -0.214 1.00 0.00 C ATOM 270 C LEU A 20 22.279 -5.823 -0.556 1.00 0.00 C ATOM 271 O LEU A 20 22.547 -4.658 -0.335 1.00 0.00 O ATOM 272 CB LEU A 20 19.847 -5.461 -0.951 1.00 0.00 C ATOM 273 CG LEU A 20 18.444 -5.673 -0.384 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.434 -4.960 -1.282 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.113 -7.168 -0.341 1.00 0.00 C ATOM 0 H LEU A 20 19.980 -5.502 1.541 1.00 0.00 H new ATOM 0 HA LEU A 20 20.767 -7.384 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.129 -4.412 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.856 -5.699 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 20 18.399 -5.270 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.429 -5.105 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.662 -3.895 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.490 -5.371 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.111 -7.307 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.157 -7.579 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.836 -7.683 0.292 1.00 0.00 H new ATOM 287 N PRO A 21 23.153 -6.655 -1.106 1.00 0.00 N ATOM 288 CA PRO A 21 24.502 -6.186 -1.476 1.00 0.00 C ATOM 289 C PRO A 21 24.388 -5.014 -2.454 1.00 0.00 C ATOM 290 O PRO A 21 23.470 -4.948 -3.245 1.00 0.00 O ATOM 291 CB PRO A 21 25.178 -7.400 -2.153 1.00 0.00 C ATOM 292 CG PRO A 21 24.235 -8.620 -1.959 1.00 0.00 C ATOM 293 CD PRO A 21 22.901 -8.088 -1.395 1.00 0.00 C ATOM 0 HA PRO A 21 25.075 -5.835 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.343 -7.206 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.154 -7.594 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.073 -9.134 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.679 -9.343 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.091 -8.209 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.610 -8.628 -0.494 1.00 0.00 H new ATOM 301 N ARG A 22 25.318 -4.101 -2.425 1.00 0.00 N ATOM 302 CA ARG A 22 25.259 -2.960 -3.379 1.00 0.00 C ATOM 303 C ARG A 22 25.072 -3.515 -4.792 1.00 0.00 C ATOM 304 O ARG A 22 24.442 -2.907 -5.635 1.00 0.00 O ATOM 305 CB ARG A 22 26.563 -2.162 -3.305 1.00 0.00 C ATOM 306 CG ARG A 22 26.374 -0.805 -3.984 1.00 0.00 C ATOM 307 CD ARG A 22 27.636 0.038 -3.800 1.00 0.00 C ATOM 308 NE ARG A 22 27.512 1.298 -4.585 1.00 0.00 N ATOM 309 CZ ARG A 22 28.322 2.294 -4.353 1.00 0.00 C ATOM 310 NH1 ARG A 22 29.243 2.186 -3.434 1.00 0.00 N ATOM 311 NH2 ARG A 22 28.212 3.398 -5.040 1.00 0.00 N ATOM 0 H ARG A 22 26.112 -4.095 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 22 24.427 -2.303 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.856 -2.022 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.367 -2.714 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.168 -0.943 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.514 -0.289 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.782 0.268 -2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.511 -0.523 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 22 26.794 1.382 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.329 1.323 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 22 29.876 2.965 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.493 3.482 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 22 28.845 4.177 -4.859 1.00 0.00 H new ATOM 325 N ASN A 23 25.616 -4.674 -5.051 1.00 0.00 N ATOM 326 CA ASN A 23 25.477 -5.286 -6.403 1.00 0.00 C ATOM 327 C ASN A 23 24.044 -5.785 -6.602 1.00 0.00 C ATOM 328 O ASN A 23 23.762 -6.532 -7.518 1.00 0.00 O ATOM 329 CB ASN A 23 26.447 -6.463 -6.531 1.00 0.00 C ATOM 330 CG ASN A 23 27.846 -6.023 -6.095 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.428 -5.138 -6.689 1.00 0.00 O ATOM 332 ND2 ASN A 23 28.413 -6.609 -5.077 1.00 0.00 N ATOM 0 H ASN A 23 26.153 -5.225 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 23 25.706 -4.537 -7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.108 -7.296 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.471 -6.818 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.346 -6.324 -4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.923 -7.352 -4.579 1.00 0.00 H new ATOM 339 N PHE A 24 23.137 -5.390 -5.744 1.00 0.00 N ATOM 340 CA PHE A 24 21.717 -5.852 -5.876 1.00 0.00 C ATOM 341 C PHE A 24 20.772 -4.684 -5.569 1.00 0.00 C ATOM 342 O PHE A 24 19.665 -4.875 -5.106 1.00 0.00 O ATOM 343 CB PHE A 24 21.474 -6.996 -4.875 1.00 0.00 C ATOM 344 CG PHE A 24 20.279 -7.833 -5.290 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.280 -8.508 -6.529 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.166 -7.950 -4.429 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.172 -9.293 -6.905 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.061 -8.735 -4.808 1.00 0.00 C ATOM 349 CZ PHE A 24 18.065 -9.406 -6.045 1.00 0.00 C ATOM 0 H PHE A 24 23.317 -4.767 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 24 21.530 -6.205 -6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.361 -7.626 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.307 -6.584 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.130 -8.423 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.163 -7.437 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.173 -9.808 -7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.210 -8.822 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.217 -10.009 -6.334 1.00 0.00 H new ATOM 359 N VAL A 25 21.203 -3.477 -5.830 1.00 0.00 N ATOM 360 CA VAL A 25 20.338 -2.288 -5.562 1.00 0.00 C ATOM 361 C VAL A 25 20.677 -1.189 -6.572 1.00 0.00 C ATOM 362 O VAL A 25 21.553 -0.378 -6.350 1.00 0.00 O ATOM 363 CB VAL A 25 20.598 -1.773 -4.143 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.647 -0.617 -3.833 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.360 -2.899 -3.134 1.00 0.00 C ATOM 0 H VAL A 25 22.121 -3.262 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 25 19.289 -2.568 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 25 21.630 -1.429 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.834 -0.253 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.811 0.191 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.616 -0.964 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.546 -2.529 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.329 -3.244 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.036 -3.727 -3.347 1.00 0.00 H new ATOM 375 N VAL A 26 19.993 -1.160 -7.684 1.00 0.00 N ATOM 376 CA VAL A 26 20.275 -0.122 -8.714 1.00 0.00 C ATOM 377 C VAL A 26 19.493 1.149 -8.395 1.00 0.00 C ATOM 378 O VAL A 26 19.731 2.194 -8.969 1.00 0.00 O ATOM 379 CB VAL A 26 19.850 -0.645 -10.086 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.727 -1.835 -10.470 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.385 -1.089 -10.038 1.00 0.00 C ATOM 0 H VAL A 26 19.248 -1.814 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 26 21.342 0.103 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 26 19.964 0.148 -10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.425 -2.209 -11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.770 -1.521 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.613 -2.626 -9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.085 -1.461 -11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.269 -1.881 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.757 -0.241 -9.764 1.00 0.00 H new ATOM 391 N ASP A 27 18.561 1.075 -7.489 1.00 0.00 N ATOM 392 CA ASP A 27 17.772 2.289 -7.148 1.00 0.00 C ATOM 393 C ASP A 27 16.933 2.012 -5.908 1.00 0.00 C ATOM 394 O ASP A 27 17.064 0.984 -5.275 1.00 0.00 O ATOM 395 CB ASP A 27 16.850 2.642 -8.320 1.00 0.00 C ATOM 396 CG ASP A 27 16.293 4.053 -8.125 1.00 0.00 C ATOM 397 OD1 ASP A 27 17.083 4.953 -7.886 1.00 0.00 O ATOM 398 OD2 ASP A 27 15.087 4.210 -8.216 1.00 0.00 O ATOM 0 H ASP A 27 18.312 0.232 -6.972 1.00 0.00 H new ATOM 0 HA ASP A 27 18.447 3.122 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.400 2.583 -9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.033 1.923 -8.383 1.00 0.00 H new ATOM 403 N TYR A 28 16.068 2.920 -5.552 1.00 0.00 N ATOM 404 CA TYR A 28 15.222 2.697 -4.350 1.00 0.00 C ATOM 405 C TYR A 28 13.951 3.533 -4.442 1.00 0.00 C ATOM 406 O TYR A 28 13.687 4.192 -5.429 1.00 0.00 O ATOM 407 CB TYR A 28 16.003 3.063 -3.081 1.00 0.00 C ATOM 408 CG TYR A 28 16.129 4.570 -2.941 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.829 5.317 -3.908 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.552 5.223 -1.832 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.951 6.712 -3.768 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.675 6.616 -1.690 1.00 0.00 C ATOM 413 CZ TYR A 28 16.374 7.363 -2.659 1.00 0.00 C ATOM 414 OH TYR A 28 16.496 8.730 -2.521 1.00 0.00 O ATOM 0 H TYR A 28 15.912 3.802 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 28 14.947 1.643 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.498 2.653 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.995 2.612 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.272 4.819 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.014 4.651 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.487 7.284 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.234 7.113 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 28 17.369 9.017 -2.861 1.00 0.00 H new ATOM 424 N TYR A 29 13.160 3.487 -3.417 1.00 0.00 N ATOM 425 CA TYR A 29 11.885 4.247 -3.410 1.00 0.00 C ATOM 426 C TYR A 29 11.413 4.368 -1.956 1.00 0.00 C ATOM 427 O TYR A 29 11.558 3.451 -1.181 1.00 0.00 O ATOM 428 CB TYR A 29 10.866 3.473 -4.262 1.00 0.00 C ATOM 429 CG TYR A 29 9.455 3.897 -3.926 1.00 0.00 C ATOM 430 CD1 TYR A 29 9.105 5.257 -3.980 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.495 2.934 -3.558 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.793 5.659 -3.665 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.182 3.335 -3.244 1.00 0.00 C ATOM 434 CZ TYR A 29 6.831 4.698 -3.297 1.00 0.00 C ATOM 435 OH TYR A 29 5.545 5.092 -2.988 1.00 0.00 O ATOM 0 H TYR A 29 13.343 2.948 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 29 12.004 5.247 -3.826 1.00 0.00 H new ATOM 0 HB2 TYR A 29 11.061 3.649 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.980 2.403 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.842 5.994 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.766 1.889 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.524 6.704 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.445 2.598 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 29 5.009 4.305 -2.756 1.00 0.00 H new ATOM 445 N GLU A 30 10.853 5.485 -1.573 1.00 0.00 N ATOM 446 CA GLU A 30 10.378 5.637 -0.160 1.00 0.00 C ATOM 447 C GLU A 30 8.874 5.357 -0.096 1.00 0.00 C ATOM 448 O GLU A 30 8.167 5.486 -1.076 1.00 0.00 O ATOM 449 CB GLU A 30 10.652 7.061 0.321 1.00 0.00 C ATOM 450 CG GLU A 30 12.161 7.317 0.335 1.00 0.00 C ATOM 451 CD GLU A 30 12.662 7.494 -1.100 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.645 8.617 -1.577 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.053 6.505 -1.697 1.00 0.00 O ATOM 0 H GLU A 30 10.703 6.297 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 30 10.908 4.931 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.157 7.778 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.239 7.204 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.384 8.208 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.678 6.484 0.812 1.00 0.00 H new ATOM 460 N THR A 31 8.384 4.965 1.046 1.00 0.00 N ATOM 461 CA THR A 31 6.925 4.664 1.176 1.00 0.00 C ATOM 462 C THR A 31 6.115 5.961 1.159 1.00 0.00 C ATOM 463 O THR A 31 6.609 7.015 0.812 1.00 0.00 O ATOM 464 CB THR A 31 6.681 3.939 2.501 1.00 0.00 C ATOM 465 OG1 THR A 31 7.392 4.605 3.525 1.00 0.00 O ATOM 466 CG2 THR A 31 7.164 2.491 2.386 1.00 0.00 C ATOM 0 H THR A 31 8.929 4.839 1.899 1.00 0.00 H new ATOM 0 HA THR A 31 6.613 4.038 0.340 1.00 0.00 H new ATOM 0 HB THR A 31 5.617 3.940 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.275 5.573 3.428 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.991 1.974 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.616 1.987 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.230 2.480 2.157 1.00 0.00 H new ATOM 474 N SER A 32 4.868 5.882 1.535 1.00 0.00 N ATOM 475 CA SER A 32 4.004 7.093 1.551 1.00 0.00 C ATOM 476 C SER A 32 4.217 7.858 2.856 1.00 0.00 C ATOM 477 O SER A 32 5.293 7.864 3.421 1.00 0.00 O ATOM 478 CB SER A 32 2.540 6.664 1.451 1.00 0.00 C ATOM 479 OG SER A 32 2.366 5.849 0.299 1.00 0.00 O ATOM 0 H SER A 32 4.408 5.022 1.834 1.00 0.00 H new ATOM 0 HA SER A 32 4.261 7.736 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.248 6.115 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.896 7.541 1.391 1.00 0.00 H new ATOM 0 HG SER A 32 1.605 6.179 -0.223 1.00 0.00 H new ATOM 485 N SER A 33 3.192 8.506 3.337 1.00 0.00 N ATOM 486 CA SER A 33 3.305 9.284 4.609 1.00 0.00 C ATOM 487 C SER A 33 2.030 9.084 5.420 1.00 0.00 C ATOM 488 O SER A 33 2.052 9.017 6.633 1.00 0.00 O ATOM 489 CB SER A 33 3.453 10.764 4.275 1.00 0.00 C ATOM 490 OG SER A 33 2.171 11.313 4.003 1.00 0.00 O ATOM 0 H SER A 33 2.270 8.531 2.900 1.00 0.00 H new ATOM 0 HA SER A 33 4.170 8.945 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.919 11.292 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.106 10.891 3.412 1.00 0.00 H new ATOM 0 HG SER A 33 2.261 12.265 3.789 1.00 0.00 H new ATOM 496 N LEU A 34 0.917 8.993 4.742 1.00 0.00 N ATOM 497 CA LEU A 34 -0.394 8.800 5.429 1.00 0.00 C ATOM 498 C LEU A 34 -0.243 7.818 6.592 1.00 0.00 C ATOM 499 O LEU A 34 -0.557 8.125 7.725 1.00 0.00 O ATOM 500 CB LEU A 34 -1.411 8.234 4.433 1.00 0.00 C ATOM 501 CG LEU A 34 -1.285 8.949 3.086 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.425 8.503 2.169 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.360 10.464 3.299 1.00 0.00 C ATOM 0 H LEU A 34 0.860 9.045 3.725 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.736 9.762 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.246 7.164 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.421 8.356 4.825 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.328 8.698 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.339 9.010 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.369 7.425 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.381 8.755 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.270 10.971 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.316 10.720 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.548 10.780 3.954 1.00 0.00 H new ATOM 515 N CYS A 35 0.235 6.640 6.315 1.00 0.00 N ATOM 516 CA CYS A 35 0.406 5.634 7.398 1.00 0.00 C ATOM 517 C CYS A 35 1.544 6.076 8.323 1.00 0.00 C ATOM 518 O CYS A 35 2.618 6.423 7.882 1.00 0.00 O ATOM 519 CB CYS A 35 0.724 4.266 6.782 1.00 0.00 C ATOM 520 SG CYS A 35 1.851 4.470 5.379 1.00 0.00 S ATOM 0 H CYS A 35 0.515 6.329 5.385 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.514 5.554 7.977 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.176 3.616 7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.196 3.782 6.454 1.00 0.00 H new ATOM 525 N SER A 36 1.301 6.091 9.604 1.00 0.00 N ATOM 526 CA SER A 36 2.353 6.523 10.570 1.00 0.00 C ATOM 527 C SER A 36 3.528 5.532 10.597 1.00 0.00 C ATOM 528 O SER A 36 4.146 5.342 11.624 1.00 0.00 O ATOM 529 CB SER A 36 1.742 6.612 11.968 1.00 0.00 C ATOM 530 OG SER A 36 0.579 7.429 11.922 1.00 0.00 O ATOM 0 H SER A 36 0.413 5.821 10.027 1.00 0.00 H new ATOM 0 HA SER A 36 2.731 7.495 10.254 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.487 5.616 12.330 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.466 7.029 12.668 1.00 0.00 H new ATOM 0 HG SER A 36 0.184 7.486 12.817 1.00 0.00 H new ATOM 536 N GLN A 37 3.852 4.891 9.499 1.00 0.00 N ATOM 537 CA GLN A 37 4.994 3.923 9.531 1.00 0.00 C ATOM 538 C GLN A 37 5.628 3.773 8.140 1.00 0.00 C ATOM 539 O GLN A 37 5.573 2.706 7.562 1.00 0.00 O ATOM 540 CB GLN A 37 4.482 2.558 10.003 1.00 0.00 C ATOM 541 CG GLN A 37 3.184 2.212 9.267 1.00 0.00 C ATOM 542 CD GLN A 37 2.703 0.828 9.705 1.00 0.00 C ATOM 543 OE1 GLN A 37 1.779 0.284 9.134 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.296 0.230 10.702 1.00 0.00 N ATOM 0 H GLN A 37 3.385 4.993 8.598 1.00 0.00 H new ATOM 0 HA GLN A 37 5.752 4.302 10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.234 1.792 9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.308 2.576 11.079 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.421 2.959 9.483 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.349 2.227 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.072 0.686 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.984 -0.694 11.001 1.00 0.00 H new ATOM 553 N PRO A 38 6.237 4.830 7.645 1.00 0.00 N ATOM 554 CA PRO A 38 6.905 4.788 6.330 1.00 0.00 C ATOM 555 C PRO A 38 8.136 3.873 6.422 1.00 0.00 C ATOM 556 O PRO A 38 8.422 3.295 7.451 1.00 0.00 O ATOM 557 CB PRO A 38 7.316 6.253 6.049 1.00 0.00 C ATOM 558 CG PRO A 38 7.022 7.075 7.339 1.00 0.00 C ATOM 559 CD PRO A 38 6.304 6.136 8.336 1.00 0.00 C ATOM 0 HA PRO A 38 6.271 4.396 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.373 6.312 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.757 6.653 5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.948 7.456 7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.398 7.939 7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.855 6.059 9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.308 6.506 8.580 1.00 0.00 H new ATOM 567 N ALA A 39 8.861 3.752 5.351 1.00 0.00 N ATOM 568 CA ALA A 39 10.073 2.899 5.342 1.00 0.00 C ATOM 569 C ALA A 39 10.793 3.128 4.018 1.00 0.00 C ATOM 570 O ALA A 39 10.251 3.740 3.118 1.00 0.00 O ATOM 571 CB ALA A 39 9.671 1.428 5.459 1.00 0.00 C ATOM 0 H ALA A 39 8.660 4.217 4.466 1.00 0.00 H new ATOM 0 HA ALA A 39 10.722 3.151 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.565 0.805 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.128 1.272 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.033 1.157 4.618 1.00 0.00 H new ATOM 577 N VAL A 40 11.989 2.629 3.867 1.00 0.00 N ATOM 578 CA VAL A 40 12.710 2.808 2.571 1.00 0.00 C ATOM 579 C VAL A 40 12.508 1.535 1.753 1.00 0.00 C ATOM 580 O VAL A 40 12.441 0.446 2.289 1.00 0.00 O ATOM 581 CB VAL A 40 14.205 3.043 2.828 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.995 2.822 1.533 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.412 4.484 3.295 1.00 0.00 C ATOM 0 H VAL A 40 12.498 2.107 4.580 1.00 0.00 H new ATOM 0 HA VAL A 40 12.322 3.673 2.032 1.00 0.00 H new ATOM 0 HB VAL A 40 14.554 2.347 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.056 2.990 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.845 1.800 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.647 3.519 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.472 4.658 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.060 5.170 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.851 4.653 4.214 1.00 0.00 H new ATOM 593 N VAL A 41 12.391 1.673 0.462 1.00 0.00 N ATOM 594 CA VAL A 41 12.168 0.486 -0.424 1.00 0.00 C ATOM 595 C VAL A 41 13.307 0.387 -1.440 1.00 0.00 C ATOM 596 O VAL A 41 13.495 1.256 -2.260 1.00 0.00 O ATOM 597 CB VAL A 41 10.829 0.666 -1.144 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.338 -0.671 -1.694 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.798 1.206 -0.149 1.00 0.00 C ATOM 0 H VAL A 41 12.440 2.567 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 41 12.147 -0.431 0.165 1.00 0.00 H new ATOM 0 HB VAL A 41 10.960 1.363 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.385 -0.527 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.070 -1.065 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.208 -1.376 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.840 1.338 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.681 0.500 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.137 2.165 0.242 1.00 0.00 H new ATOM 609 N PHE A 42 14.084 -0.664 -1.386 1.00 0.00 N ATOM 610 CA PHE A 42 15.222 -0.799 -2.344 1.00 0.00 C ATOM 611 C PHE A 42 14.769 -1.523 -3.615 1.00 0.00 C ATOM 612 O PHE A 42 14.103 -2.537 -3.568 1.00 0.00 O ATOM 613 CB PHE A 42 16.350 -1.610 -1.694 1.00 0.00 C ATOM 614 CG PHE A 42 17.092 -0.758 -0.687 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.800 0.384 -1.113 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.085 -1.111 0.676 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.497 1.170 -0.177 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.784 -0.326 1.611 1.00 0.00 C ATOM 619 CZ PHE A 42 18.490 0.816 1.184 1.00 0.00 C ATOM 0 H PHE A 42 13.980 -1.432 -0.723 1.00 0.00 H new ATOM 0 HA PHE A 42 15.575 0.199 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.938 -2.491 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.040 -1.966 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.807 0.656 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.542 -1.985 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.038 2.046 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.779 -0.599 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.026 1.419 1.902 1.00 0.00 H new ATOM 629 N GLN A 43 15.165 -1.014 -4.753 1.00 0.00 N ATOM 630 CA GLN A 43 14.812 -1.666 -6.047 1.00 0.00 C ATOM 631 C GLN A 43 16.017 -2.515 -6.461 1.00 0.00 C ATOM 632 O GLN A 43 17.120 -2.008 -6.573 1.00 0.00 O ATOM 633 CB GLN A 43 14.539 -0.580 -7.089 1.00 0.00 C ATOM 634 CG GLN A 43 13.324 0.247 -6.658 1.00 0.00 C ATOM 635 CD GLN A 43 13.275 1.544 -7.468 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.874 2.574 -6.964 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.671 1.538 -8.713 1.00 0.00 N ATOM 0 H GLN A 43 15.724 -0.165 -4.840 1.00 0.00 H new ATOM 0 HA GLN A 43 13.922 -2.290 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.412 0.064 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.357 -1.033 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.409 -0.325 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.384 0.473 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.008 0.674 -9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.643 2.398 -9.261 1.00 0.00 H new ATOM 646 N THR A 44 15.845 -3.812 -6.634 1.00 0.00 N ATOM 647 CA THR A 44 17.033 -4.678 -6.970 1.00 0.00 C ATOM 648 C THR A 44 17.125 -4.983 -8.465 1.00 0.00 C ATOM 649 O THR A 44 16.546 -4.313 -9.298 1.00 0.00 O ATOM 650 CB THR A 44 16.923 -6.000 -6.213 1.00 0.00 C ATOM 651 OG1 THR A 44 16.063 -6.873 -6.925 1.00 0.00 O ATOM 652 CG2 THR A 44 16.351 -5.741 -4.817 1.00 0.00 C ATOM 0 H THR A 44 14.953 -4.301 -6.559 1.00 0.00 H new ATOM 0 HA THR A 44 17.928 -4.128 -6.679 1.00 0.00 H new ATOM 0 HB THR A 44 17.909 -6.455 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.365 -7.798 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.272 -6.684 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.010 -5.065 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.363 -5.290 -4.907 1.00 0.00 H new ATOM 660 N LYS A 45 17.882 -6.005 -8.795 1.00 0.00 N ATOM 661 CA LYS A 45 18.077 -6.405 -10.222 1.00 0.00 C ATOM 662 C LYS A 45 17.304 -7.695 -10.516 1.00 0.00 C ATOM 663 O LYS A 45 16.993 -7.989 -11.654 1.00 0.00 O ATOM 664 CB LYS A 45 19.562 -6.674 -10.467 1.00 0.00 C ATOM 665 CG LYS A 45 20.397 -5.517 -9.921 1.00 0.00 C ATOM 666 CD LYS A 45 21.884 -5.826 -10.122 1.00 0.00 C ATOM 667 CE LYS A 45 22.690 -4.534 -10.023 1.00 0.00 C ATOM 668 NZ LYS A 45 22.501 -3.930 -8.673 1.00 0.00 N ATOM 0 H LYS A 45 18.380 -6.587 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 45 17.717 -5.603 -10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.856 -7.606 -9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.747 -6.796 -11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.134 -4.591 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.185 -5.368 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.223 -6.538 -9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.041 -6.292 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.747 -4.738 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.370 -3.833 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.134 -2.962 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.824 -4.502 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.413 -3.904 -8.173 1.00 0.00 H new ATOM 682 N ARG A 46 17.009 -8.477 -9.502 1.00 0.00 N ATOM 683 CA ARG A 46 16.275 -9.768 -9.718 1.00 0.00 C ATOM 684 C ARG A 46 15.089 -9.828 -8.754 1.00 0.00 C ATOM 685 O ARG A 46 14.905 -10.775 -8.022 1.00 0.00 O ATOM 686 CB ARG A 46 17.238 -10.944 -9.456 1.00 0.00 C ATOM 687 CG ARG A 46 16.758 -12.232 -10.166 1.00 0.00 C ATOM 688 CD ARG A 46 15.629 -12.919 -9.383 1.00 0.00 C ATOM 689 NE ARG A 46 15.548 -14.347 -9.795 1.00 0.00 N ATOM 690 CZ ARG A 46 14.888 -15.200 -9.060 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.300 -14.801 -7.965 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.815 -16.453 -9.420 1.00 0.00 N ATOM 0 H ARG A 46 17.246 -8.276 -8.531 1.00 0.00 H new ATOM 0 HA ARG A 46 15.908 -9.832 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.237 -10.684 -9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.313 -11.124 -8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.410 -11.987 -11.169 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.596 -12.920 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.817 -12.847 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.680 -12.418 -9.575 1.00 0.00 H new ATOM 0 HE ARG A 46 16.008 -14.659 -10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.356 -13.822 -7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.784 -15.468 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.274 -16.765 -10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.299 -17.119 -8.845 1.00 0.00 H new ATOM 706 N SER A 47 14.280 -8.814 -8.756 1.00 0.00 N ATOM 707 CA SER A 47 13.099 -8.795 -7.869 1.00 0.00 C ATOM 708 C SER A 47 12.225 -7.621 -8.290 1.00 0.00 C ATOM 709 O SER A 47 11.806 -7.525 -9.425 1.00 0.00 O ATOM 710 CB SER A 47 13.532 -8.653 -6.402 1.00 0.00 C ATOM 711 OG SER A 47 13.951 -7.320 -6.152 1.00 0.00 O ATOM 0 H SER A 47 14.390 -7.987 -9.343 1.00 0.00 H new ATOM 0 HA SER A 47 12.542 -9.728 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.705 -8.914 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.344 -9.346 -6.184 1.00 0.00 H new ATOM 0 HG SER A 47 14.869 -7.200 -6.474 1.00 0.00 H new ATOM 717 N LYS A 48 11.970 -6.724 -7.400 1.00 0.00 N ATOM 718 CA LYS A 48 11.146 -5.538 -7.736 1.00 0.00 C ATOM 719 C LYS A 48 11.425 -4.480 -6.669 1.00 0.00 C ATOM 720 O LYS A 48 12.311 -3.660 -6.806 1.00 0.00 O ATOM 721 CB LYS A 48 9.643 -5.934 -7.752 1.00 0.00 C ATOM 722 CG LYS A 48 9.096 -5.948 -9.191 1.00 0.00 C ATOM 723 CD LYS A 48 8.778 -4.519 -9.638 1.00 0.00 C ATOM 724 CE LYS A 48 8.240 -4.539 -11.070 1.00 0.00 C ATOM 725 NZ LYS A 48 9.361 -4.792 -12.018 1.00 0.00 N ATOM 0 H LYS A 48 12.301 -6.758 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 48 11.393 -5.147 -8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.517 -6.918 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.071 -5.230 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.828 -6.395 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.198 -6.563 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.043 -4.072 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.675 -3.902 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.480 -5.314 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.760 -3.588 -11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.042 -4.606 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.158 -4.164 -11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.667 -5.783 -11.938 1.00 0.00 H new ATOM 739 N GLN A 49 10.675 -4.522 -5.600 1.00 0.00 N ATOM 740 CA GLN A 49 10.853 -3.551 -4.484 1.00 0.00 C ATOM 741 C GLN A 49 11.022 -4.335 -3.175 1.00 0.00 C ATOM 742 O GLN A 49 10.433 -5.383 -2.986 1.00 0.00 O ATOM 743 CB GLN A 49 9.596 -2.661 -4.412 1.00 0.00 C ATOM 744 CG GLN A 49 9.815 -1.363 -5.200 1.00 0.00 C ATOM 745 CD GLN A 49 8.574 -0.476 -5.079 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.708 -0.733 -4.266 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.452 0.564 -5.856 1.00 0.00 N ATOM 0 H GLN A 49 9.931 -5.204 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 49 11.732 -2.927 -4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.738 -3.199 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.366 -2.428 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.690 -0.837 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.012 -1.590 -6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.179 0.779 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.629 1.162 -5.782 1.00 0.00 H new ATOM 756 N VAL A 50 11.823 -3.832 -2.271 1.00 0.00 N ATOM 757 CA VAL A 50 12.036 -4.534 -0.967 1.00 0.00 C ATOM 758 C VAL A 50 12.033 -3.508 0.159 1.00 0.00 C ATOM 759 O VAL A 50 12.820 -2.587 0.166 1.00 0.00 O ATOM 760 CB VAL A 50 13.385 -5.258 -0.988 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.479 -6.187 0.225 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.505 -6.072 -2.280 1.00 0.00 C ATOM 0 H VAL A 50 12.342 -2.961 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 50 11.238 -5.260 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 50 14.196 -4.530 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.438 -6.704 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.394 -5.601 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.672 -6.918 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.465 -6.588 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.698 -6.804 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.437 -5.404 -3.139 1.00 0.00 H new ATOM 772 N CYS A 51 11.158 -3.662 1.111 1.00 0.00 N ATOM 773 CA CYS A 51 11.102 -2.688 2.232 1.00 0.00 C ATOM 774 C CYS A 51 12.315 -2.893 3.136 1.00 0.00 C ATOM 775 O CYS A 51 12.847 -3.980 3.240 1.00 0.00 O ATOM 776 CB CYS A 51 9.823 -2.916 3.039 1.00 0.00 C ATOM 777 SG CYS A 51 8.380 -2.672 1.973 1.00 0.00 S ATOM 0 H CYS A 51 10.479 -4.421 1.161 1.00 0.00 H new ATOM 0 HA CYS A 51 11.106 -1.672 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.816 -3.925 3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.785 -2.226 3.882 1.00 0.00 H new ATOM 782 N ALA A 52 12.765 -1.849 3.783 1.00 0.00 N ATOM 783 CA ALA A 52 13.957 -1.972 4.676 1.00 0.00 C ATOM 784 C ALA A 52 13.766 -1.087 5.910 1.00 0.00 C ATOM 785 O ALA A 52 13.321 0.041 5.816 1.00 0.00 O ATOM 786 CB ALA A 52 15.205 -1.517 3.918 1.00 0.00 C ATOM 0 H ALA A 52 12.358 -0.915 3.732 1.00 0.00 H new ATOM 0 HA ALA A 52 14.072 -3.010 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.077 -1.605 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.344 -2.143 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.085 -0.478 3.610 1.00 0.00 H new ATOM 792 N ASP A 53 14.098 -1.597 7.066 1.00 0.00 N ATOM 793 CA ASP A 53 13.938 -0.797 8.315 1.00 0.00 C ATOM 794 C ASP A 53 14.951 0.376 8.312 1.00 0.00 C ATOM 795 O ASP A 53 16.139 0.124 8.319 1.00 0.00 O ATOM 796 CB ASP A 53 14.234 -1.696 9.520 1.00 0.00 C ATOM 797 CG ASP A 53 13.519 -3.036 9.349 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.706 -3.659 8.316 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.799 -3.421 10.256 1.00 0.00 O ATOM 0 H ASP A 53 14.474 -2.536 7.199 1.00 0.00 H new ATOM 0 HA ASP A 53 12.922 -0.407 8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.308 -1.855 9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.903 -1.211 10.438 1.00 0.00 H new ATOM 804 N PRO A 54 14.495 1.624 8.305 1.00 0.00 N ATOM 805 CA PRO A 54 15.434 2.766 8.308 1.00 0.00 C ATOM 806 C PRO A 54 16.298 2.740 9.579 1.00 0.00 C ATOM 807 O PRO A 54 17.209 3.528 9.737 1.00 0.00 O ATOM 808 CB PRO A 54 14.539 4.026 8.275 1.00 0.00 C ATOM 809 CG PRO A 54 13.057 3.552 8.260 1.00 0.00 C ATOM 810 CD PRO A 54 13.062 2.007 8.292 1.00 0.00 C ATOM 0 HA PRO A 54 16.121 2.739 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.731 4.655 9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.757 4.627 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.518 3.951 9.119 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.548 3.915 7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.545 1.630 9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.551 1.593 7.422 1.00 0.00 H new ATOM 818 N SER A 55 16.006 1.856 10.487 1.00 0.00 N ATOM 819 CA SER A 55 16.794 1.795 11.752 1.00 0.00 C ATOM 820 C SER A 55 18.144 1.119 11.499 1.00 0.00 C ATOM 821 O SER A 55 19.075 1.274 12.265 1.00 0.00 O ATOM 822 CB SER A 55 16.015 0.997 12.798 1.00 0.00 C ATOM 823 OG SER A 55 15.949 -0.365 12.395 1.00 0.00 O ATOM 0 H SER A 55 15.255 1.170 10.411 1.00 0.00 H new ATOM 0 HA SER A 55 16.965 2.809 12.114 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.501 1.078 13.770 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.010 1.405 12.909 1.00 0.00 H new ATOM 0 HG SER A 55 15.452 -0.880 13.064 1.00 0.00 H new ATOM 829 N GLU A 56 18.266 0.374 10.434 1.00 0.00 N ATOM 830 CA GLU A 56 19.566 -0.301 10.146 1.00 0.00 C ATOM 831 C GLU A 56 20.517 0.699 9.476 1.00 0.00 C ATOM 832 O GLU A 56 20.236 1.243 8.427 1.00 0.00 O ATOM 833 CB GLU A 56 19.328 -1.498 9.222 1.00 0.00 C ATOM 834 CG GLU A 56 18.819 -2.691 10.038 1.00 0.00 C ATOM 835 CD GLU A 56 19.968 -3.272 10.864 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.079 -2.789 10.720 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.717 -4.190 11.627 1.00 0.00 O ATOM 0 H GLU A 56 17.526 0.203 9.753 1.00 0.00 H new ATOM 0 HA GLU A 56 20.012 -0.654 11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.602 -1.236 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.253 -1.764 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.008 -2.376 10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.413 -3.453 9.373 1.00 0.00 H new ATOM 844 N SER A 57 21.633 0.951 10.098 1.00 0.00 N ATOM 845 CA SER A 57 22.619 1.924 9.546 1.00 0.00 C ATOM 846 C SER A 57 22.934 1.640 8.073 1.00 0.00 C ATOM 847 O SER A 57 23.067 2.552 7.281 1.00 0.00 O ATOM 848 CB SER A 57 23.912 1.840 10.359 1.00 0.00 C ATOM 849 OG SER A 57 23.656 2.261 11.692 1.00 0.00 O ATOM 0 H SER A 57 21.909 0.518 10.979 1.00 0.00 H new ATOM 0 HA SER A 57 22.184 2.921 9.612 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.292 0.819 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.680 2.468 9.908 1.00 0.00 H new ATOM 0 HG SER A 57 24.482 2.207 12.217 1.00 0.00 H new ATOM 855 N TRP A 58 23.085 0.400 7.694 1.00 0.00 N ATOM 856 CA TRP A 58 23.423 0.113 6.270 1.00 0.00 C ATOM 857 C TRP A 58 22.323 0.648 5.357 1.00 0.00 C ATOM 858 O TRP A 58 22.565 0.994 4.219 1.00 0.00 O ATOM 859 CB TRP A 58 23.644 -1.394 6.061 1.00 0.00 C ATOM 860 CG TRP A 58 22.356 -2.141 6.004 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.854 -2.890 7.010 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.423 -2.268 4.892 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.673 -3.468 6.590 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.356 -3.112 5.298 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.391 -1.735 3.583 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.294 -3.421 4.437 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.325 -2.043 2.712 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.278 -2.884 3.140 1.00 0.00 C ATOM 0 H TRP A 58 22.991 -0.416 8.298 1.00 0.00 H new ATOM 0 HA TRP A 58 24.354 0.620 6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.198 -1.555 5.136 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.256 -1.787 6.872 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.303 -3.016 7.984 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.103 -4.085 7.168 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.188 -1.088 3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.495 -4.067 4.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.311 -1.633 1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.463 -3.115 2.470 1.00 0.00 H new ATOM 879 N VAL A 59 21.123 0.745 5.848 1.00 0.00 N ATOM 880 CA VAL A 59 20.025 1.283 5.002 1.00 0.00 C ATOM 881 C VAL A 59 20.253 2.776 4.791 1.00 0.00 C ATOM 882 O VAL A 59 20.166 3.280 3.690 1.00 0.00 O ATOM 883 CB VAL A 59 18.687 1.054 5.704 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.550 1.648 4.867 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.478 -0.450 5.870 1.00 0.00 C ATOM 0 H VAL A 59 20.854 0.476 6.795 1.00 0.00 H new ATOM 0 HA VAL A 59 20.011 0.776 4.037 1.00 0.00 H new ATOM 0 HB VAL A 59 18.691 1.540 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.600 1.481 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.711 2.719 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.529 1.168 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.527 -0.632 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.470 -0.927 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.288 -0.866 6.469 1.00 0.00 H new ATOM 895 N GLN A 60 20.557 3.485 5.839 1.00 0.00 N ATOM 896 CA GLN A 60 20.804 4.949 5.698 1.00 0.00 C ATOM 897 C GLN A 60 22.040 5.174 4.819 1.00 0.00 C ATOM 898 O GLN A 60 22.093 6.097 4.031 1.00 0.00 O ATOM 899 CB GLN A 60 21.041 5.562 7.079 1.00 0.00 C ATOM 900 CG GLN A 60 21.029 7.088 6.969 1.00 0.00 C ATOM 901 CD GLN A 60 21.370 7.701 8.328 1.00 0.00 C ATOM 902 OE1 GLN A 60 20.600 7.603 9.263 1.00 0.00 O ATOM 903 NE2 GLN A 60 22.501 8.333 8.479 1.00 0.00 N ATOM 0 H GLN A 60 20.646 3.118 6.786 1.00 0.00 H new ATOM 0 HA GLN A 60 19.937 5.422 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.269 5.231 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.996 5.223 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.750 7.415 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.049 7.432 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.148 8.416 7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.739 8.745 9.381 1.00 0.00 H new ATOM 912 N GLU A 61 23.034 4.341 4.956 1.00 0.00 N ATOM 913 CA GLU A 61 24.271 4.504 4.138 1.00 0.00 C ATOM 914 C GLU A 61 23.947 4.288 2.657 1.00 0.00 C ATOM 915 O GLU A 61 24.341 5.060 1.806 1.00 0.00 O ATOM 916 CB GLU A 61 25.315 3.473 4.591 1.00 0.00 C ATOM 917 CG GLU A 61 26.554 3.527 3.685 1.00 0.00 C ATOM 918 CD GLU A 61 27.097 4.957 3.628 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.123 5.601 4.663 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.479 5.381 2.550 1.00 0.00 O ATOM 0 H GLU A 61 23.044 3.551 5.601 1.00 0.00 H new ATOM 0 HA GLU A 61 24.665 5.511 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.604 3.669 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.882 2.473 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 61 27.322 2.852 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.297 3.186 2.682 1.00 0.00 H new ATOM 927 N TYR A 62 23.243 3.239 2.347 1.00 0.00 N ATOM 928 CA TYR A 62 22.900 2.957 0.924 1.00 0.00 C ATOM 929 C TYR A 62 22.037 4.095 0.370 1.00 0.00 C ATOM 930 O TYR A 62 22.154 4.468 -0.780 1.00 0.00 O ATOM 931 CB TYR A 62 22.133 1.625 0.836 1.00 0.00 C ATOM 932 CG TYR A 62 23.103 0.455 0.839 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.124 0.367 1.811 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.981 -0.554 -0.138 1.00 0.00 C ATOM 935 CE1 TYR A 62 25.014 -0.723 1.801 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.872 -1.644 -0.144 1.00 0.00 C ATOM 937 CZ TYR A 62 24.888 -1.728 0.824 1.00 0.00 C ATOM 938 OH TYR A 62 25.763 -2.795 0.816 1.00 0.00 O ATOM 0 H TYR A 62 22.887 2.560 3.020 1.00 0.00 H new ATOM 0 HA TYR A 62 23.814 2.883 0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.445 1.538 1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.531 1.604 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.222 1.137 2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.202 -0.491 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.795 -0.788 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.775 -2.416 -0.893 1.00 0.00 H new ATOM 0 HH TYR A 62 25.537 -3.398 0.078 1.00 0.00 H new ATOM 948 N VAL A 63 21.183 4.656 1.178 1.00 0.00 N ATOM 949 CA VAL A 63 20.335 5.772 0.694 1.00 0.00 C ATOM 950 C VAL A 63 21.241 6.955 0.385 1.00 0.00 C ATOM 951 O VAL A 63 21.086 7.634 -0.609 1.00 0.00 O ATOM 952 CB VAL A 63 19.330 6.156 1.783 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.611 7.451 1.394 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.302 5.033 1.941 1.00 0.00 C ATOM 0 H VAL A 63 21.038 4.388 2.151 1.00 0.00 H new ATOM 0 HA VAL A 63 19.787 5.476 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 63 19.859 6.308 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.897 7.719 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.341 8.252 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.082 7.305 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.584 5.303 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.778 4.884 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.811 4.111 2.223 1.00 0.00 H new ATOM 964 N TYR A 64 22.192 7.197 1.237 1.00 0.00 N ATOM 965 CA TYR A 64 23.121 8.329 1.009 1.00 0.00 C ATOM 966 C TYR A 64 23.929 8.068 -0.261 1.00 0.00 C ATOM 967 O TYR A 64 24.114 8.939 -1.087 1.00 0.00 O ATOM 968 CB TYR A 64 24.071 8.451 2.206 1.00 0.00 C ATOM 969 CG TYR A 64 24.706 9.824 2.219 1.00 0.00 C ATOM 970 CD1 TYR A 64 23.934 10.952 2.559 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.068 9.976 1.893 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.522 12.231 2.572 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.657 11.255 1.907 1.00 0.00 C ATOM 974 CZ TYR A 64 25.884 12.382 2.246 1.00 0.00 C ATOM 975 OH TYR A 64 26.461 13.636 2.259 1.00 0.00 O ATOM 0 H TYR A 64 22.366 6.657 2.085 1.00 0.00 H new ATOM 0 HA TYR A 64 22.556 9.255 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.524 8.284 3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.843 7.684 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.890 10.836 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.661 9.112 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 64 23.929 13.096 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.701 11.371 1.658 1.00 0.00 H new ATOM 0 HH TYR A 64 27.406 13.564 2.011 1.00 0.00 H new ATOM 985 N ASP A 65 24.412 6.871 -0.413 1.00 0.00 N ATOM 986 CA ASP A 65 25.218 6.531 -1.619 1.00 0.00 C ATOM 987 C ASP A 65 24.360 6.703 -2.876 1.00 0.00 C ATOM 988 O ASP A 65 24.839 7.101 -3.919 1.00 0.00 O ATOM 989 CB ASP A 65 25.688 5.077 -1.511 1.00 0.00 C ATOM 990 CG ASP A 65 26.887 4.988 -0.563 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.862 5.678 -0.808 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.807 4.233 0.391 1.00 0.00 O ATOM 0 H ASP A 65 24.284 6.106 0.250 1.00 0.00 H new ATOM 0 HA ASP A 65 26.082 7.193 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.876 4.449 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.963 4.700 -2.496 1.00 0.00 H new ATOM 997 N LEU A 66 23.097 6.403 -2.781 1.00 0.00 N ATOM 998 CA LEU A 66 22.202 6.544 -3.963 1.00 0.00 C ATOM 999 C LEU A 66 21.963 8.030 -4.245 1.00 0.00 C ATOM 1000 O LEU A 66 21.751 8.432 -5.372 1.00 0.00 O ATOM 1001 CB LEU A 66 20.870 5.845 -3.656 1.00 0.00 C ATOM 1002 CG LEU A 66 21.004 4.323 -3.874 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.919 3.588 -3.084 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.835 3.980 -5.364 1.00 0.00 C ATOM 0 H LEU A 66 22.643 6.065 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 66 22.660 6.088 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.573 6.048 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.085 6.244 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 66 21.993 4.014 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 66 20.019 2.514 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 20.028 3.811 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.937 3.915 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.932 2.903 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.850 4.302 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.603 4.491 -5.944 1.00 0.00 H new ATOM 1016 N GLU A 67 22.001 8.846 -3.232 1.00 0.00 N ATOM 1017 CA GLU A 67 21.784 10.306 -3.438 1.00 0.00 C ATOM 1018 C GLU A 67 23.016 10.904 -4.115 1.00 0.00 C ATOM 1019 O GLU A 67 22.928 11.862 -4.858 1.00 0.00 O ATOM 1020 CB GLU A 67 21.576 10.984 -2.083 1.00 0.00 C ATOM 1021 CG GLU A 67 20.242 10.534 -1.480 1.00 0.00 C ATOM 1022 CD GLU A 67 19.092 11.317 -2.119 1.00 0.00 C ATOM 1023 OE1 GLU A 67 18.801 12.401 -1.640 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.523 10.820 -3.076 1.00 0.00 O ATOM 0 H GLU A 67 22.173 8.566 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 67 20.905 10.462 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.395 10.731 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.585 12.067 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.101 9.466 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.248 10.694 -0.402 1.00 0.00 H new ATOM 1116 N SER B 5 10.982 -9.415 -3.771 1.00 0.00 N ATOM 1117 CA SER B 5 11.492 -9.879 -2.445 1.00 0.00 C ATOM 1118 C SER B 5 10.489 -9.503 -1.341 1.00 0.00 C ATOM 1119 O SER B 5 9.918 -10.359 -0.694 1.00 0.00 O ATOM 1120 CB SER B 5 12.867 -9.241 -2.179 1.00 0.00 C ATOM 1121 OG SER B 5 13.803 -10.269 -1.878 1.00 0.00 O ATOM 0 HA SER B 5 11.604 -10.963 -2.449 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.195 -8.676 -3.052 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.801 -8.537 -1.350 1.00 0.00 H new ATOM 0 HG SER B 5 14.683 -9.871 -1.709 1.00 0.00 H new ATOM 1127 N ASP B 6 10.270 -8.232 -1.121 1.00 0.00 N ATOM 1128 CA ASP B 6 9.302 -7.810 -0.060 1.00 0.00 C ATOM 1129 C ASP B 6 8.785 -6.395 -0.364 1.00 0.00 C ATOM 1130 O ASP B 6 9.106 -5.463 0.346 1.00 0.00 O ATOM 1131 CB ASP B 6 10.001 -7.807 1.309 1.00 0.00 C ATOM 1132 CG ASP B 6 8.950 -7.822 2.423 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.061 -8.657 2.361 1.00 0.00 O ATOM 1134 OD2 ASP B 6 9.050 -6.998 3.316 1.00 0.00 O ATOM 0 H ASP B 6 10.718 -7.469 -1.628 1.00 0.00 H new ATOM 0 HA ASP B 6 8.466 -8.510 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.652 -8.677 1.398 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.633 -6.924 1.404 1.00 0.00 H new ATOM 1139 N PRO B 7 8.001 -6.261 -1.414 1.00 0.00 N ATOM 1140 CA PRO B 7 7.452 -4.947 -1.799 1.00 0.00 C ATOM 1141 C PRO B 7 6.498 -4.435 -0.697 1.00 0.00 C ATOM 1142 O PRO B 7 6.134 -5.186 0.187 1.00 0.00 O ATOM 1143 CB PRO B 7 6.700 -5.207 -3.128 1.00 0.00 C ATOM 1144 CG PRO B 7 6.799 -6.731 -3.434 1.00 0.00 C ATOM 1145 CD PRO B 7 7.607 -7.385 -2.290 1.00 0.00 C ATOM 0 HA PRO B 7 8.220 -4.183 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.657 -4.900 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.140 -4.624 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.805 -7.173 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.289 -6.898 -4.393 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.006 -8.116 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.480 -7.912 -2.674 1.00 0.00 H new ATOM 1153 N PRO B 8 6.112 -3.177 -0.781 1.00 0.00 N ATOM 1154 CA PRO B 8 5.193 -2.581 0.213 1.00 0.00 C ATOM 1155 C PRO B 8 3.839 -3.308 0.179 1.00 0.00 C ATOM 1156 O PRO B 8 3.737 -4.428 -0.281 1.00 0.00 O ATOM 1157 CB PRO B 8 5.046 -1.101 -0.222 1.00 0.00 C ATOM 1158 CG PRO B 8 5.787 -0.940 -1.580 1.00 0.00 C ATOM 1159 CD PRO B 8 6.550 -2.255 -1.852 1.00 0.00 C ATOM 0 HA PRO B 8 5.564 -2.664 1.234 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.994 -0.834 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.472 -0.436 0.529 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.078 -0.736 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.477 -0.097 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.312 -2.653 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.628 -2.099 -1.823 1.00 0.00 H new ATOM 1167 N THR B 9 2.801 -2.674 0.662 1.00 0.00 N ATOM 1168 CA THR B 9 1.457 -3.322 0.656 1.00 0.00 C ATOM 1169 C THR B 9 0.371 -2.249 0.660 1.00 0.00 C ATOM 1170 O THR B 9 0.377 -1.341 1.469 1.00 0.00 O ATOM 1171 CB THR B 9 1.304 -4.197 1.900 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.460 -5.010 2.049 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.065 -5.084 1.753 1.00 0.00 C ATOM 0 H THR B 9 2.827 -1.735 1.060 1.00 0.00 H new ATOM 0 HA THR B 9 1.360 -3.938 -0.238 1.00 0.00 H new ATOM 0 HB THR B 9 1.190 -3.564 2.780 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.492 -5.369 2.960 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.043 -5.708 2.640 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.820 -4.457 1.640 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.175 -5.719 0.874 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.565 -2.350 -0.240 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.661 -1.347 -0.300 1.00 0.00 C ATOM 1183 C ALA B 10 -2.566 -1.496 0.923 1.00 0.00 C ATOM 1184 O ALA B 10 -3.620 -2.097 0.855 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.480 -1.579 -1.568 1.00 0.00 C ATOM 0 H ALA B 10 -0.618 -3.089 -0.941 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.236 -0.343 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.286 -0.847 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.837 -1.472 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.903 -2.584 -1.549 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.166 -0.943 2.041 1.00 0.00 N ATOM 1192 CA CYS B 11 -2.999 -1.033 3.282 1.00 0.00 C ATOM 1193 C CYS B 11 -3.592 0.346 3.574 1.00 0.00 C ATOM 1194 O CYS B 11 -2.918 1.353 3.482 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.118 -1.471 4.456 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.298 -3.034 4.047 1.00 0.00 S ATOM 0 H CYS B 11 -1.292 -0.429 2.149 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.799 -1.760 3.144 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.374 -0.704 4.672 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.724 -1.590 5.354 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.850 0.404 3.914 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.482 1.724 4.201 1.00 0.00 C ATOM 1203 C CYS B 12 -4.967 2.260 5.537 1.00 0.00 C ATOM 1204 O CYS B 12 -4.750 1.517 6.474 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.003 1.562 4.266 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.633 1.077 2.639 1.00 0.00 S ATOM 0 H CYS B 12 -5.467 -0.403 4.006 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.227 2.426 3.407 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.267 0.809 5.009 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.465 2.497 4.582 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.776 3.551 5.631 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.280 4.161 6.903 1.00 0.00 C ATOM 1213 C PHE B 13 -5.457 4.818 7.625 1.00 0.00 C ATOM 1214 O PHE B 13 -5.410 5.078 8.811 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.228 5.225 6.578 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.882 6.358 5.821 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.161 6.218 4.449 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.217 7.550 6.492 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.775 7.271 3.746 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.833 8.602 5.789 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.112 8.464 4.415 1.00 0.00 C ATOM 0 H PHE B 13 -4.944 4.215 4.875 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.836 3.393 7.536 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.776 5.599 7.497 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.426 4.790 5.982 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.904 5.303 3.936 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.001 7.657 7.545 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -4.988 7.164 2.693 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.092 9.516 6.303 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.584 9.272 3.875 1.00 0.00 H new ATOM 1231 N SER B 14 -6.513 5.085 6.908 1.00 0.00 N ATOM 1232 CA SER B 14 -7.706 5.725 7.527 1.00 0.00 C ATOM 1233 C SER B 14 -8.937 5.389 6.688 1.00 0.00 C ATOM 1234 O SER B 14 -9.002 4.354 6.056 1.00 0.00 O ATOM 1235 CB SER B 14 -7.512 7.242 7.566 1.00 0.00 C ATOM 1236 OG SER B 14 -7.402 7.735 6.237 1.00 0.00 O ATOM 0 H SER B 14 -6.601 4.885 5.912 1.00 0.00 H new ATOM 0 HA SER B 14 -7.838 5.355 8.544 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.353 7.715 8.073 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.616 7.491 8.134 1.00 0.00 H new ATOM 0 HG SER B 14 -6.502 7.553 5.894 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.920 6.249 6.673 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.146 5.965 5.870 1.00 0.00 C ATOM 1244 C TYR B 15 -11.828 7.278 5.492 1.00 0.00 C ATOM 1245 O TYR B 15 -11.578 8.313 6.078 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.112 5.106 6.695 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.339 4.060 7.460 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.855 4.347 8.750 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.098 2.798 6.884 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.132 3.373 9.466 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.376 1.824 7.598 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.892 2.112 8.889 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.184 1.156 9.590 1.00 0.00 O ATOM 0 H TYR B 15 -9.928 7.134 7.180 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.867 5.429 4.963 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.673 5.735 7.386 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.839 4.627 6.039 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.038 5.315 9.192 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.468 2.577 5.893 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.762 3.594 10.456 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.193 0.856 7.156 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.109 0.342 9.049 1.00 0.00 H new ATOM 1263 N THR B 16 -12.693 7.242 4.518 1.00 0.00 N ATOM 1264 CA THR B 16 -13.396 8.488 4.106 1.00 0.00 C ATOM 1265 C THR B 16 -14.184 9.037 5.298 1.00 0.00 C ATOM 1266 O THR B 16 -13.987 8.627 6.424 1.00 0.00 O ATOM 1267 CB THR B 16 -14.342 8.182 2.939 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.144 9.321 2.661 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.241 6.997 3.293 1.00 0.00 C ATOM 0 H THR B 16 -12.943 6.406 3.990 1.00 0.00 H new ATOM 0 HA THR B 16 -12.670 9.234 3.782 1.00 0.00 H new ATOM 0 HB THR B 16 -13.750 7.932 2.058 1.00 0.00 H new ATOM 0 HG1 THR B 16 -14.567 10.077 2.423 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.910 6.786 2.459 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.625 6.121 3.495 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.830 7.238 4.178 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.076 9.960 5.059 1.00 0.00 N ATOM 1278 CA ALA B 17 -15.887 10.543 6.169 1.00 0.00 C ATOM 1279 C ALA B 17 -17.317 10.735 5.673 1.00 0.00 C ATOM 1280 O ALA B 17 -18.121 11.402 6.292 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.296 11.894 6.575 1.00 0.00 C ATOM 0 H ALA B 17 -15.280 10.339 4.134 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.879 9.878 7.032 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -15.887 12.321 7.385 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.268 11.756 6.910 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.311 12.570 5.720 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.636 10.140 4.553 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.012 10.258 3.988 1.00 0.00 C ATOM 1289 C ARG B 18 -19.436 8.896 3.438 1.00 0.00 C ATOM 1290 O ARG B 18 -18.776 8.325 2.593 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.020 11.285 2.846 1.00 0.00 C ATOM 1292 CG ARG B 18 -18.696 12.701 3.384 1.00 0.00 C ATOM 1293 CD ARG B 18 -17.202 13.008 3.211 1.00 0.00 C ATOM 1294 NE ARG B 18 -16.882 14.301 3.880 1.00 0.00 N ATOM 1295 CZ ARG B 18 -15.640 14.630 4.107 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -14.675 13.830 3.741 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -15.362 15.759 4.697 1.00 0.00 N ATOM 0 H ARG B 18 -16.994 9.571 4.000 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.701 10.582 4.768 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.288 11.001 2.089 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -19.996 11.289 2.360 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.291 13.444 2.853 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.968 12.768 4.437 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -16.602 12.205 3.640 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -16.951 13.062 2.152 1.00 0.00 H new ATOM 0 HE ARG B 18 -17.635 14.929 4.161 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -14.892 12.948 3.278 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -13.704 14.087 3.919 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -16.115 16.385 4.981 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -14.391 16.016 4.874 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.532 8.373 3.908 1.00 0.00 N ATOM 1312 CA LYS B 19 -20.998 7.049 3.411 1.00 0.00 C ATOM 1313 C LYS B 19 -21.310 7.167 1.913 1.00 0.00 C ATOM 1314 O LYS B 19 -22.056 8.027 1.491 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.248 6.640 4.201 1.00 0.00 C ATOM 1316 CG LYS B 19 -22.978 5.492 3.513 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.066 4.991 4.455 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.952 3.997 3.726 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.101 2.994 3.033 1.00 0.00 N ATOM 0 H LYS B 19 -21.126 8.805 4.616 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.230 6.288 3.550 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -21.963 6.342 5.210 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -22.917 7.495 4.298 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.414 5.828 2.572 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.282 4.688 3.273 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.616 4.520 5.329 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.663 5.829 4.816 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.618 3.500 4.432 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.583 4.516 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -24.594 2.079 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -23.911 3.312 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -23.202 2.889 3.545 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.726 6.321 1.109 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.967 6.394 -0.362 1.00 0.00 C ATOM 1335 C LEU B 20 -22.384 5.871 -0.700 1.00 0.00 C ATOM 1336 O LEU B 20 -22.652 4.709 -0.464 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.951 5.504 -1.083 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.548 5.724 -0.514 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.536 4.998 -1.400 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.218 7.219 -0.494 1.00 0.00 C ATOM 0 H LEU B 20 -20.091 5.581 1.407 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.870 7.432 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.234 4.457 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.956 5.726 -2.150 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.505 5.336 0.504 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.532 5.148 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.765 3.932 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.589 5.395 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.217 7.365 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.259 7.614 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.943 7.743 0.129 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.256 6.695 -1.264 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.605 6.221 -1.630 1.00 0.00 C ATOM 1354 C PRO B 21 -24.487 5.035 -2.593 1.00 0.00 C ATOM 1355 O PRO B 21 -23.566 4.958 -3.379 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.279 7.426 -2.327 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.336 8.649 -2.148 1.00 0.00 C ATOM 1358 CD PRO B 21 -23.004 8.124 -1.573 1.00 0.00 C ATOM 0 HA PRO B 21 -25.181 5.883 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.441 7.217 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.256 7.627 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.171 9.150 -3.102 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.782 9.382 -1.476 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.193 8.235 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.715 8.676 -0.679 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.417 4.123 -2.553 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.355 2.968 -3.490 1.00 0.00 C ATOM 1368 C ARG B 22 -25.164 3.504 -4.912 1.00 0.00 C ATOM 1369 O ARG B 22 -24.532 2.884 -5.744 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.660 2.172 -3.410 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.469 0.805 -4.070 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.732 -0.034 -3.876 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.605 -1.306 -4.644 1.00 0.00 N ATOM 1374 CZ ARG B 22 -28.416 -2.299 -4.400 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -29.339 -2.178 -3.485 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -28.304 -3.412 -5.071 1.00 0.00 N ATOM 0 H ARG B 22 -26.213 4.127 -1.916 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.525 2.314 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.958 2.046 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.462 2.718 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.261 0.928 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.610 0.295 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.880 -0.249 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.607 0.522 -4.214 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.884 -1.400 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.426 -1.307 -2.961 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -29.973 -2.954 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.583 -3.506 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -28.938 -4.188 -4.881 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.709 4.660 -5.188 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.566 5.253 -6.549 1.00 0.00 C ATOM 1392 C ASN B 23 -24.132 5.749 -6.750 1.00 0.00 C ATOM 1393 O ASN B 23 -23.847 6.482 -7.676 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.535 6.427 -6.695 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.935 5.993 -6.258 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.516 5.099 -6.840 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -28.504 6.593 -5.249 1.00 0.00 N ATOM 0 H ASN B 23 -26.248 5.220 -4.527 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.793 4.495 -7.298 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.198 7.268 -6.089 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.555 6.768 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -29.437 6.311 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -28.016 7.344 -4.761 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.227 5.364 -5.884 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.806 5.825 -6.017 1.00 0.00 C ATOM 1406 C PHE B 24 -20.863 4.662 -5.693 1.00 0.00 C ATOM 1407 O PHE B 24 -19.757 4.859 -5.230 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.567 6.983 -5.033 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.370 7.814 -5.457 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.367 8.471 -6.706 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.261 7.943 -4.594 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.260 9.251 -7.089 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.154 8.723 -4.982 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.154 9.376 -6.227 1.00 0.00 C ATOM 0 H PHE B 24 -23.409 4.750 -5.090 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.615 6.165 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.454 7.614 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.403 6.586 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.215 8.375 -7.368 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.261 7.444 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.259 9.754 -8.045 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.304 8.819 -4.322 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.305 9.974 -6.522 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.293 3.452 -5.937 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.429 2.266 -5.651 1.00 0.00 C ATOM 1426 C VAL B 25 -20.765 1.153 -6.646 1.00 0.00 C ATOM 1427 O VAL B 25 -21.643 0.345 -6.415 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.692 1.771 -4.225 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.741 0.619 -3.896 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.458 2.911 -3.232 1.00 0.00 C ATOM 0 H VAL B 25 -22.211 3.232 -6.324 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.380 2.544 -5.748 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.724 1.427 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.931 0.269 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.904 -0.199 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.710 0.965 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.646 2.555 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.427 3.256 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.134 3.735 -3.458 1.00 0.00 H new ATOM 1440 N VAL B 26 -20.078 1.109 -7.756 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.357 0.056 -8.771 1.00 0.00 C ATOM 1442 C VAL B 26 -19.576 -1.211 -8.432 1.00 0.00 C ATOM 1443 O VAL B 26 -19.812 -2.263 -8.992 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.928 0.560 -10.149 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.804 1.744 -10.552 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.463 1.004 -10.104 1.00 0.00 C ATOM 0 H VAL B 26 -19.333 1.760 -8.003 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.423 -0.169 -8.774 1.00 0.00 H new ATOM 0 HB VAL B 26 -20.040 -0.243 -10.877 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.499 2.104 -11.534 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.847 1.429 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.692 2.545 -9.821 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.161 1.363 -11.088 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.348 1.806 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.836 0.160 -9.817 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.647 -1.125 -7.524 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.859 -2.334 -7.165 1.00 0.00 C ATOM 1458 C ASP B 27 -17.023 -2.039 -5.927 1.00 0.00 C ATOM 1459 O ASP B 27 -17.156 -1.002 -5.309 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.934 -2.703 -8.329 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.377 -4.111 -8.112 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -17.166 -5.007 -7.863 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.170 -4.270 -8.199 1.00 0.00 O ATOM 0 H ASP B 27 -18.400 -0.275 -7.017 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.535 -3.165 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.481 -2.658 -9.271 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -16.117 -1.984 -8.400 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.159 -2.941 -5.556 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.317 -2.702 -4.354 1.00 0.00 C ATOM 1470 C TYR B 28 -14.045 -3.539 -4.432 1.00 0.00 C ATOM 1471 O TYR B 28 -13.778 -4.211 -5.408 1.00 0.00 O ATOM 1472 CB TYR B 28 -16.101 -3.050 -3.082 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.226 -4.554 -2.921 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.924 -5.314 -3.880 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.654 -5.191 -1.801 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -17.047 -6.707 -3.720 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.776 -6.582 -1.641 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.473 -7.343 -2.600 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.596 -8.708 -2.444 1.00 0.00 O ATOM 0 H TYR B 28 -16.000 -3.829 -6.031 1.00 0.00 H new ATOM 0 HA TYR B 28 -15.043 -1.647 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.598 -2.627 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -17.093 -2.601 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.365 -4.828 -4.738 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -15.121 -4.609 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.582 -7.289 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.335 -7.068 -0.783 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.481 -8.994 -2.754 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.256 -3.479 -3.405 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.983 -4.238 -3.383 1.00 0.00 C ATOM 1491 C TYR B 29 -11.514 -4.339 -1.926 1.00 0.00 C ATOM 1492 O TYR B 29 -11.662 -3.410 -1.165 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.960 -3.475 -4.244 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.550 -3.896 -3.898 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -9.200 -5.256 -3.933 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.591 -2.928 -3.541 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.889 -5.653 -3.608 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.279 -3.324 -3.217 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.928 -4.688 -3.250 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.643 -5.077 -2.932 1.00 0.00 O ATOM 0 H TYR B 29 -13.441 -2.928 -2.567 1.00 0.00 H new ATOM 0 HA TYR B 29 -12.102 -5.244 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.153 -3.665 -5.300 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -11.073 -2.402 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.936 -5.997 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.862 -1.883 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.620 -6.699 -3.633 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.543 -2.583 -2.943 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.108 -4.287 -2.709 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.955 -5.450 -1.526 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.485 -5.583 -0.110 1.00 0.00 C ATOM 1512 C GLU B 30 -8.980 -5.302 -0.046 1.00 0.00 C ATOM 1513 O GLU B 30 -8.270 -5.446 -1.022 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.760 -6.999 0.391 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.268 -7.254 0.403 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.765 -7.452 -1.030 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.747 -8.582 -1.491 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.154 -6.471 -1.642 1.00 0.00 O ATOM 0 H GLU B 30 -10.803 -6.270 -2.113 1.00 0.00 H new ATOM 0 HA GLU B 30 -11.018 -4.868 0.518 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.263 -7.726 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.351 -7.127 1.393 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.493 -8.136 1.002 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.786 -6.414 0.866 1.00 0.00 H new ATOM 1525 N THR B 31 -8.492 -4.894 1.093 1.00 0.00 N ATOM 1526 CA THR B 31 -7.035 -4.591 1.222 1.00 0.00 C ATOM 1527 C THR B 31 -6.225 -5.888 1.225 1.00 0.00 C ATOM 1528 O THR B 31 -6.717 -6.947 0.892 1.00 0.00 O ATOM 1529 CB THR B 31 -6.794 -3.846 2.537 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.508 -4.499 3.568 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.277 -2.401 2.401 1.00 0.00 C ATOM 0 H THR B 31 -9.039 -4.757 1.943 1.00 0.00 H new ATOM 0 HA THR B 31 -6.721 -3.977 0.378 1.00 0.00 H new ATOM 0 HB THR B 31 -5.730 -3.842 2.775 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.578 -5.455 3.363 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.105 -1.870 3.338 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.728 -1.908 1.599 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.342 -2.394 2.170 1.00 0.00 H new ATOM 1539 N SER B 32 -4.978 -5.803 1.604 1.00 0.00 N ATOM 1540 CA SER B 32 -4.114 -7.013 1.639 1.00 0.00 C ATOM 1541 C SER B 32 -4.331 -7.760 2.955 1.00 0.00 C ATOM 1542 O SER B 32 -5.409 -7.758 3.516 1.00 0.00 O ATOM 1543 CB SER B 32 -2.650 -6.586 1.537 1.00 0.00 C ATOM 1544 OG SER B 32 -2.474 -5.788 0.375 1.00 0.00 O ATOM 0 H SER B 32 -4.519 -4.939 1.893 1.00 0.00 H new ATOM 0 HA SER B 32 -4.368 -7.667 0.805 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.360 -6.024 2.425 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.006 -7.464 1.490 1.00 0.00 H new ATOM 0 HG SER B 32 -1.712 -6.125 -0.141 1.00 0.00 H new ATOM 1550 N SER B 33 -3.308 -8.402 3.447 1.00 0.00 N ATOM 1551 CA SER B 33 -3.424 -9.161 4.730 1.00 0.00 C ATOM 1552 C SER B 33 -2.151 -8.950 5.541 1.00 0.00 C ATOM 1553 O SER B 33 -2.177 -8.867 6.753 1.00 0.00 O ATOM 1554 CB SER B 33 -3.572 -10.646 4.417 1.00 0.00 C ATOM 1555 OG SER B 33 -2.288 -11.199 4.154 1.00 0.00 O ATOM 0 H SER B 33 -2.386 -8.435 3.012 1.00 0.00 H new ATOM 0 HA SER B 33 -4.290 -8.813 5.294 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.038 -11.162 5.256 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.224 -10.785 3.555 1.00 0.00 H new ATOM 0 HG SER B 33 -2.378 -12.154 3.954 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.037 -8.869 4.865 1.00 0.00 N ATOM 1562 CA LEU B 34 0.273 -8.665 5.553 1.00 0.00 C ATOM 1563 C LEU B 34 0.119 -7.668 6.702 1.00 0.00 C ATOM 1564 O LEU B 34 0.429 -7.957 7.839 1.00 0.00 O ATOM 1565 CB LEU B 34 1.293 -8.115 4.551 1.00 0.00 C ATOM 1566 CG LEU B 34 1.170 -8.848 3.215 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.313 -8.414 2.294 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.244 -10.360 3.450 1.00 0.00 C ATOM 0 H LEU B 34 -0.977 -8.937 3.849 1.00 0.00 H new ATOM 0 HA LEU B 34 0.614 -9.621 5.950 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.130 -7.047 4.404 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.302 -8.232 4.947 1.00 0.00 H new ATOM 0 HG LEU B 34 0.215 -8.604 2.751 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.229 -8.934 1.340 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.257 -7.338 2.127 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.268 -8.660 2.759 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.156 -10.881 2.497 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.198 -10.610 3.914 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.430 -10.666 4.107 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.358 -6.494 6.406 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.532 -5.472 7.474 1.00 0.00 C ATOM 1582 C CYS B 35 -1.673 -5.902 8.403 1.00 0.00 C ATOM 1583 O CYS B 35 -2.746 -6.255 7.964 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.849 -4.113 6.838 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.973 -4.337 5.437 1.00 0.00 S ATOM 0 H CYS B 35 -0.635 -6.197 5.471 1.00 0.00 H new ATOM 0 HA CYS B 35 0.387 -5.383 8.054 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.302 -3.452 7.577 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.072 -3.634 6.504 1.00 0.00 H new ATOM 1590 N SER B 36 -1.433 -5.898 9.684 1.00 0.00 N ATOM 1591 CA SER B 36 -2.488 -6.317 10.654 1.00 0.00 C ATOM 1592 C SER B 36 -3.663 -5.326 10.663 1.00 0.00 C ATOM 1593 O SER B 36 -4.285 -5.121 11.687 1.00 0.00 O ATOM 1594 CB SER B 36 -1.881 -6.387 12.056 1.00 0.00 C ATOM 1595 OG SER B 36 -0.718 -7.203 12.022 1.00 0.00 O ATOM 0 H SER B 36 -0.546 -5.621 10.105 1.00 0.00 H new ATOM 0 HA SER B 36 -2.865 -7.294 10.351 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.627 -5.386 12.406 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.606 -6.796 12.759 1.00 0.00 H new ATOM 0 HG SER B 36 -0.325 -7.249 12.918 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.984 -4.701 9.557 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.126 -3.732 9.572 1.00 0.00 C ATOM 1603 C GLN B 37 -5.757 -3.601 8.176 1.00 0.00 C ATOM 1604 O GLN B 37 -5.701 -2.543 7.583 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.616 -2.360 10.025 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.316 -2.025 9.288 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.836 -0.635 9.707 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -1.911 -0.099 9.132 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.433 -0.022 10.694 1.00 0.00 N ATOM 0 H GLN B 37 -3.515 -4.816 8.659 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.885 -4.102 10.262 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.367 -1.597 9.823 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.445 -2.362 11.102 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.553 -2.769 9.517 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.478 -2.056 8.211 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -4.210 -0.471 11.178 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.122 0.906 10.981 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.364 -4.665 7.694 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.028 -4.642 6.377 1.00 0.00 C ATOM 1620 C PRO B 38 -8.261 -3.727 6.453 1.00 0.00 C ATOM 1621 O PRO B 38 -8.549 -3.133 7.473 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.439 -6.111 6.115 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.148 -6.914 7.418 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.434 -5.961 8.403 1.00 0.00 C ATOM 0 HA PRO B 38 -6.391 -4.261 5.579 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.495 -6.173 5.853 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.878 -6.523 5.276 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.075 -7.289 7.852 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.523 -7.781 7.202 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.988 -5.871 9.337 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.439 -6.327 8.656 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.983 -3.621 5.379 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.195 -2.768 5.354 1.00 0.00 C ATOM 1634 C ALA B 39 -10.910 -3.015 4.030 1.00 0.00 C ATOM 1635 O ALA B 39 -10.366 -3.639 3.141 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.793 -1.295 5.453 1.00 0.00 C ATOM 0 H ALA B 39 -8.780 -4.099 4.501 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.847 -3.008 6.193 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.687 -0.672 5.434 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.253 -1.127 6.385 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.152 -1.035 4.610 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.106 -2.517 3.870 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.823 -2.715 2.574 1.00 0.00 C ATOM 1644 C VAL B 40 -12.619 -1.454 1.740 1.00 0.00 C ATOM 1645 O VAL B 40 -12.554 -0.357 2.261 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.319 -2.947 2.830 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.105 -2.743 1.531 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.528 -4.381 3.317 1.00 0.00 C ATOM 0 H VAL B 40 -12.617 -1.985 4.575 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.434 -3.587 2.048 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.670 -2.241 3.582 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.166 -2.909 1.718 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.955 -1.725 1.171 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.754 -3.450 0.779 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.589 -4.552 3.501 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.174 -5.078 2.558 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.970 -4.537 4.240 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.498 -1.609 0.451 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.273 -0.436 -0.451 1.00 0.00 C ATOM 1660 C VAL B 41 -13.410 -0.350 -1.471 1.00 0.00 C ATOM 1661 O VAL B 41 -13.595 -1.232 -2.281 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.932 -0.625 -1.166 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.440 0.704 -1.733 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.904 -1.151 -0.160 1.00 0.00 C ATOM 0 H VAL B 41 -12.546 -2.510 -0.026 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.254 0.489 0.126 1.00 0.00 H new ATOM 0 HB VAL B 41 -11.060 -1.333 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.486 0.553 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.171 1.089 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.312 1.421 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.945 -1.289 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.790 -0.434 0.653 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.244 -2.105 0.243 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.185 0.702 -1.435 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.321 0.823 -2.398 1.00 0.00 C ATOM 1676 C PHE B 42 -14.865 1.528 -3.677 1.00 0.00 C ATOM 1677 O PHE B 42 -14.201 2.544 -3.643 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.451 1.642 -1.762 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.195 0.804 -0.745 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.903 -0.343 -1.157 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.192 1.177 0.614 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.603 -1.116 -0.213 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.894 0.405 1.556 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.599 -0.743 1.144 1.00 0.00 C ATOM 0 H PHE B 42 -14.082 1.480 -0.784 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.674 -0.179 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.040 2.530 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.139 1.986 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.908 -0.629 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.650 2.056 0.932 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.144 -1.996 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.893 0.692 2.597 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.136 -1.336 1.869 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.258 1.004 -4.809 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.901 1.637 -6.111 1.00 0.00 C ATOM 1696 C GLN B 43 -16.105 2.481 -6.540 1.00 0.00 C ATOM 1697 O GLN B 43 -17.207 1.972 -6.648 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.625 0.537 -7.137 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.412 -0.284 -6.692 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.361 -1.593 -7.483 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.961 -2.615 -6.964 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.752 -1.604 -8.728 1.00 0.00 N ATOM 0 H GLN B 43 -15.817 0.155 -4.886 1.00 0.00 H new ATOM 0 HA GLN B 43 -14.011 2.261 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.497 -0.109 -7.237 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.440 0.977 -8.117 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.496 0.285 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.474 -0.495 -5.624 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -14.088 -0.746 -9.165 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.721 -2.471 -9.265 1.00 0.00 H new ATOM 1711 N THR B 44 -15.932 3.775 -6.732 1.00 0.00 N ATOM 1712 CA THR B 44 -17.119 4.636 -7.083 1.00 0.00 C ATOM 1713 C THR B 44 -17.208 4.920 -8.583 1.00 0.00 C ATOM 1714 O THR B 44 -16.626 4.238 -9.404 1.00 0.00 O ATOM 1715 CB THR B 44 -17.012 5.969 -6.345 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.151 6.832 -7.066 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.444 5.730 -4.943 1.00 0.00 C ATOM 0 H THR B 44 -15.040 4.264 -6.663 1.00 0.00 H new ATOM 0 HA THR B 44 -18.014 4.090 -6.786 1.00 0.00 H new ATOM 0 HB THR B 44 -17.999 6.424 -6.262 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.454 7.758 -6.962 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.367 6.680 -4.415 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.105 5.061 -4.392 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.455 5.278 -5.023 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.964 5.937 -8.930 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.154 6.317 -10.361 1.00 0.00 C ATOM 1727 C LYS B 45 -17.381 7.603 -10.673 1.00 0.00 C ATOM 1728 O LYS B 45 -17.066 7.880 -11.813 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.639 6.583 -10.614 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.475 5.434 -10.055 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.962 5.739 -10.264 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.769 4.448 -10.149 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.583 3.864 -8.790 1.00 0.00 N ATOM 0 H LYS B 45 -18.465 6.528 -8.266 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.791 5.506 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.935 7.521 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.821 6.690 -11.683 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.210 4.501 -10.553 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.265 5.300 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.304 6.461 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -22.117 6.191 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -23.825 4.650 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.447 3.736 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -22.232 2.889 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -21.894 4.434 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.493 3.861 -8.286 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.089 8.399 -9.668 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.354 9.686 -9.901 1.00 0.00 C ATOM 1749 C ARG B 46 -15.171 9.760 -8.934 1.00 0.00 C ATOM 1750 O ARG B 46 -14.988 10.718 -8.214 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.317 10.867 -9.658 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.836 12.144 -10.385 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.709 12.842 -9.608 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.627 14.264 -10.040 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.969 15.128 -9.315 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.385 14.744 -8.213 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.896 16.374 -9.693 1.00 0.00 N ATOM 0 H ARG B 46 -17.329 8.212 -8.694 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.985 9.734 -10.925 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.315 10.602 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.394 11.062 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.485 11.885 -11.384 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.673 12.831 -10.509 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.900 12.785 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.759 12.339 -9.790 1.00 0.00 H new ATOM 0 HE ARG B 46 -16.084 14.563 -10.901 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.443 13.769 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.871 15.419 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -15.353 16.673 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -14.382 17.049 -9.127 1.00 0.00 H new ATOM 1771 N SER B 47 -14.362 8.745 -8.920 1.00 0.00 N ATOM 1772 CA SER B 47 -13.183 8.740 -8.029 1.00 0.00 C ATOM 1773 C SER B 47 -12.308 7.560 -8.432 1.00 0.00 C ATOM 1774 O SER B 47 -11.886 7.448 -9.564 1.00 0.00 O ATOM 1775 CB SER B 47 -13.620 8.619 -6.561 1.00 0.00 C ATOM 1776 OG SER B 47 -14.039 7.290 -6.293 1.00 0.00 O ATOM 0 H SER B 47 -14.471 7.910 -9.496 1.00 0.00 H new ATOM 0 HA SER B 47 -12.626 9.672 -8.125 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.795 8.890 -5.903 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.433 9.315 -6.355 1.00 0.00 H new ATOM 0 HG SER B 47 -14.977 7.183 -6.557 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.056 6.676 -7.527 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.231 5.485 -7.844 1.00 0.00 C ATOM 1784 C LYS B 48 -11.512 4.443 -6.764 1.00 0.00 C ATOM 1785 O LYS B 48 -12.398 3.620 -6.891 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.729 5.882 -7.862 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.177 5.875 -9.300 1.00 0.00 C ATOM 1788 CD LYS B 48 -8.857 4.439 -9.726 1.00 0.00 C ATOM 1789 CE LYS B 48 -8.315 4.440 -11.157 1.00 0.00 C ATOM 1790 NZ LYS B 48 -9.434 4.680 -12.110 1.00 0.00 N ATOM 0 H LYS B 48 -12.389 6.724 -6.564 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.475 5.079 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.605 6.873 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.158 5.188 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.907 6.312 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.279 6.490 -9.358 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.123 4.002 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.754 3.822 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.555 5.213 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.834 3.487 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -9.108 4.498 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -10.225 4.043 -11.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -9.751 5.667 -12.031 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.765 4.500 -5.693 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.947 3.543 -4.564 1.00 0.00 C ATOM 1806 C GLN B 49 -11.120 4.346 -3.267 1.00 0.00 C ATOM 1807 O GLN B 49 -10.532 5.397 -3.091 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.689 2.655 -4.476 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.907 1.347 -5.247 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.667 0.462 -5.109 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.802 0.730 -4.299 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.542 -0.590 -5.872 1.00 0.00 N ATOM 0 H GLN B 49 -10.022 5.184 -5.552 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.825 2.916 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.830 3.187 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.462 2.437 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.783 0.826 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.100 1.560 -6.298 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.268 -0.816 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.719 -1.186 -5.788 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.923 3.856 -2.357 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.140 4.577 -1.065 1.00 0.00 C ATOM 1823 C VAL B 50 -12.139 3.566 0.076 1.00 0.00 C ATOM 1824 O VAL B 50 -12.926 2.646 0.094 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.488 5.299 -1.099 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.586 6.245 0.100 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.604 6.095 -2.404 1.00 0.00 C ATOM 0 H VAL B 50 -12.441 2.983 -2.454 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.344 5.306 -0.916 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.298 4.572 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.546 6.761 0.079 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.503 5.672 1.023 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.779 6.977 0.053 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.564 6.611 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.797 6.826 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.533 5.415 -3.253 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.266 3.734 1.028 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.215 2.775 2.164 1.00 0.00 C ATOM 1839 C CYS B 51 -12.430 2.993 3.061 1.00 0.00 C ATOM 1840 O CYS B 51 -12.962 4.082 3.148 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.938 3.015 2.969 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.491 2.756 1.911 1.00 0.00 S ATOM 0 H CYS B 51 -10.586 4.493 1.068 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.220 1.753 1.784 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.933 4.030 3.367 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.902 2.338 3.823 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.882 1.959 3.720 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.077 2.095 4.609 1.00 0.00 C ATOM 1849 C ALA B 52 -13.889 1.227 5.855 1.00 0.00 C ATOM 1850 O ALA B 52 -13.444 0.097 5.778 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.322 1.628 3.854 1.00 0.00 C ATOM 0 H ALA B 52 -12.476 1.024 3.682 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.193 3.137 4.905 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.196 1.725 4.498 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.458 2.241 2.963 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.201 0.585 3.562 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.223 1.752 7.003 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.068 0.971 8.264 1.00 0.00 C ATOM 1859 C ASP B 53 -15.080 -0.202 8.274 1.00 0.00 C ATOM 1860 O ASP B 53 -16.269 0.050 8.274 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.367 1.886 9.455 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.651 3.225 9.268 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.835 3.831 8.225 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -12.933 3.621 10.171 1.00 0.00 O ATOM 0 H ASP B 53 -14.598 2.693 7.122 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.052 0.583 8.329 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.442 2.046 9.542 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.039 1.413 10.381 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.624 -1.450 8.287 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.564 -2.593 8.302 1.00 0.00 C ATOM 1871 C PRO B 54 -16.430 -2.549 9.571 1.00 0.00 C ATOM 1872 O PRO B 54 -17.343 -3.334 9.738 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.668 -3.853 8.290 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.186 -3.379 8.272 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.190 -1.833 8.282 1.00 0.00 C ATOM 0 HA PRO B 54 -16.248 -2.578 7.454 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.862 -4.469 9.168 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.884 -4.467 7.416 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.650 -3.766 9.138 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.674 -3.755 7.386 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.675 -1.443 9.160 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.678 -1.432 7.407 1.00 0.00 H new ATOM 1883 N SER B 55 -16.140 -1.652 10.468 1.00 0.00 N ATOM 1884 CA SER B 55 -16.933 -1.573 11.729 1.00 0.00 C ATOM 1885 C SER B 55 -18.283 -0.901 11.463 1.00 0.00 C ATOM 1886 O SER B 55 -19.216 -1.044 12.227 1.00 0.00 O ATOM 1887 CB SER B 55 -16.157 -0.759 12.766 1.00 0.00 C ATOM 1888 OG SER B 55 -16.089 0.596 12.344 1.00 0.00 O ATOM 0 H SER B 55 -15.388 -0.968 10.385 1.00 0.00 H new ATOM 0 HA SER B 55 -17.106 -2.582 12.104 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.647 -0.825 13.738 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.153 -1.165 12.887 1.00 0.00 H new ATOM 0 HG SER B 55 -15.594 1.121 13.007 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.402 -0.171 10.387 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.701 0.500 10.086 1.00 0.00 C ATOM 1896 C GLU B 56 -20.650 -0.509 9.427 1.00 0.00 C ATOM 1897 O GLU B 56 -20.366 -1.068 8.387 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.459 1.684 9.147 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.953 2.887 9.947 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.104 3.481 10.762 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.215 2.997 10.620 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.855 4.410 11.512 1.00 0.00 O ATOM 0 H GLU B 56 -17.660 -0.010 9.706 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.150 0.866 11.009 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.730 1.411 8.384 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.382 1.943 8.628 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.144 2.581 10.610 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.545 3.640 9.272 1.00 0.00 H new ATOM 1909 N SER B 57 -21.767 -0.753 10.050 1.00 0.00 N ATOM 1910 CA SER B 57 -22.752 -1.732 9.509 1.00 0.00 C ATOM 1911 C SER B 57 -23.062 -1.470 8.032 1.00 0.00 C ATOM 1912 O SER B 57 -23.193 -2.392 7.252 1.00 0.00 O ATOM 1913 CB SER B 57 -24.046 -1.638 10.317 1.00 0.00 C ATOM 1914 OG SER B 57 -23.795 -2.040 11.657 1.00 0.00 O ATOM 0 H SER B 57 -22.045 -0.309 10.925 1.00 0.00 H new ATOM 0 HA SER B 57 -22.317 -2.728 9.590 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.427 -0.617 10.297 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.812 -2.273 9.872 1.00 0.00 H new ATOM 0 HG SER B 57 -24.623 -1.979 12.177 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.212 -0.235 7.634 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.548 0.032 6.205 1.00 0.00 C ATOM 1922 C TRP B 58 -22.444 -0.516 5.303 1.00 0.00 C ATOM 1923 O TRP B 58 -22.683 -0.879 4.170 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.767 1.535 5.975 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.478 2.282 5.911 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.980 3.045 6.907 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.542 2.393 4.800 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.797 3.617 6.483 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.476 3.243 5.197 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.507 1.842 3.498 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.412 3.539 4.334 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.439 2.138 2.627 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.393 2.984 3.045 1.00 0.00 C ATOM 0 H TRP B 58 -23.118 0.590 8.226 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.479 -0.477 5.954 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.319 1.683 5.047 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.381 1.940 6.779 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.433 3.185 7.877 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.228 4.242 7.054 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.303 1.191 3.169 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.613 4.189 4.658 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.423 1.714 1.634 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.577 3.205 2.374 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.245 -0.606 5.799 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.144 -1.156 4.964 1.00 0.00 C ATOM 1946 C VAL B 59 -20.373 -2.651 4.773 1.00 0.00 C ATOM 1947 O VAL B 59 -20.282 -3.171 3.679 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.808 -0.917 5.665 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.669 -1.523 4.841 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.601 0.589 5.811 1.00 0.00 C ATOM 0 H VAL B 59 -20.979 -0.324 6.743 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.127 -0.663 3.992 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.813 -1.390 6.647 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.720 -1.348 5.348 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.830 -2.596 4.732 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.645 -1.057 3.856 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.651 0.779 6.310 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.592 1.052 4.824 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.413 1.012 6.403 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.679 -3.347 5.830 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.927 -4.812 5.709 1.00 0.00 C ATOM 1962 C GLN B 60 -22.159 -5.050 4.830 1.00 0.00 C ATOM 1963 O GLN B 60 -22.211 -5.983 4.054 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.167 -5.406 7.097 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.154 -6.932 7.010 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.499 -7.526 8.377 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -20.732 -7.415 9.311 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -22.631 -8.157 8.532 1.00 0.00 N ATOM 0 H GLN B 60 -20.768 -2.967 6.772 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.059 -5.291 5.256 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.397 -5.064 7.788 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.124 -5.062 7.491 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.873 -7.270 6.263 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.172 -7.280 6.688 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -23.275 -8.250 7.746 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -22.872 -8.557 9.439 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.154 -4.214 4.952 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.389 -4.389 4.132 1.00 0.00 C ATOM 1979 C GLU B 61 -24.061 -4.194 2.650 1.00 0.00 C ATOM 1980 O GLU B 61 -24.453 -4.977 1.809 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.434 -3.351 4.568 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.671 -3.418 3.661 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.214 -4.849 3.622 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.242 -5.480 4.666 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -27.591 -5.288 2.549 1.00 0.00 O ATOM 0 H GLU B 61 -23.166 -3.415 5.586 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.784 -5.394 4.280 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.725 -3.532 5.603 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.001 -2.352 4.528 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -27.440 -2.738 4.029 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.412 -3.091 2.654 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.355 -3.149 2.327 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.008 -2.888 0.902 1.00 0.00 C ATOM 1994 C TYR B 62 -22.144 -4.032 0.365 1.00 0.00 C ATOM 1995 O TYR B 62 -22.258 -4.423 -0.779 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.242 -1.557 0.796 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.211 -0.386 0.780 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.235 -0.285 1.749 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.086 0.609 -0.211 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.125 0.805 1.721 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.978 1.697 -0.235 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.997 1.795 0.730 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.872 2.862 0.704 1.00 0.00 O ATOM 0 H TYR B 62 -23.001 -2.460 2.991 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.921 -2.824 0.310 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.556 -1.457 1.637 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.638 -1.549 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.335 -1.044 2.511 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.304 0.536 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.907 0.881 2.462 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.880 2.458 -0.995 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.644 3.454 -0.043 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.293 -4.582 1.184 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.443 -5.706 0.718 1.00 0.00 C ATOM 2015 C VAL B 63 -21.347 -6.893 0.423 1.00 0.00 C ATOM 2016 O VAL B 63 -21.190 -7.585 -0.561 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.441 -6.074 1.814 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.721 -7.375 1.446 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.414 -4.949 1.961 1.00 0.00 C ATOM 0 H VAL B 63 -21.151 -4.301 2.154 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.893 -5.423 -0.180 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.973 -6.212 2.755 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.009 -7.631 2.231 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.451 -8.178 1.342 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.190 -7.243 0.503 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.699 -5.209 2.741 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.887 -4.812 1.017 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.924 -4.024 2.230 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.302 -7.124 1.276 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.231 -8.257 1.061 1.00 0.00 C ATOM 2031 C TYR B 64 -24.035 -8.015 -0.214 1.00 0.00 C ATOM 2032 O TYR B 64 -24.218 -8.897 -1.028 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.184 -8.362 2.256 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.818 -9.736 2.288 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.047 -10.858 2.646 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.180 -9.892 1.960 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.636 -12.137 2.675 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.768 -11.171 1.990 1.00 0.00 C ATOM 2039 CZ TYR B 64 -25.997 -12.293 2.348 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.573 -13.547 2.376 1.00 0.00 O ATOM 0 H TYR B 64 -22.478 -6.573 2.116 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.666 -9.184 0.963 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.640 -8.181 3.183 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -24.957 -7.597 2.185 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.004 -10.738 2.898 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.772 -9.031 1.686 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.044 -12.998 2.948 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.811 -11.291 1.738 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.518 -13.479 2.125 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.517 -6.820 -0.384 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.320 -6.497 -1.598 1.00 0.00 C ATOM 2052 C ASP B 65 -24.458 -6.686 -2.849 1.00 0.00 C ATOM 2053 O ASP B 65 -24.935 -7.099 -3.887 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.790 -5.040 -1.513 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.990 -4.939 -0.568 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.966 -5.633 -0.805 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.914 -4.170 0.376 1.00 0.00 O ATOM 0 H ASP B 65 -24.390 -6.046 0.268 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.184 -7.160 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.979 -4.406 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.064 -4.678 -2.504 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.196 -6.385 -2.756 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.297 -6.543 -3.932 1.00 0.00 C ATOM 2064 C LEU B 66 -22.058 -8.033 -4.194 1.00 0.00 C ATOM 2065 O LEU B 66 -21.843 -8.451 -5.314 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.966 -5.840 -3.632 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.099 -4.321 -3.872 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -20.017 -3.575 -3.089 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.926 -3.998 -5.366 1.00 0.00 C ATOM 0 H LEU B 66 -22.744 -6.034 -1.911 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.753 -6.099 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.672 -6.028 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.180 -6.248 -4.267 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.089 -4.008 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -20.116 -2.503 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.130 -3.782 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -19.033 -3.907 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -21.022 -2.923 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.940 -4.325 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.693 -4.517 -5.942 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.099 -8.834 -3.169 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.881 -10.297 -3.354 1.00 0.00 C ATOM 2083 C GLU B 67 -23.111 -10.905 -4.026 1.00 0.00 C ATOM 2084 O GLU B 67 -23.021 -11.873 -4.756 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.677 -10.955 -1.989 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.344 -10.497 -1.388 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.193 -11.290 -2.013 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -18.903 -12.366 -1.517 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.621 -10.805 -2.976 1.00 0.00 O ATOM 0 H GLU B 67 -22.274 -8.540 -2.208 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.001 -10.462 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.497 -10.691 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.686 -12.040 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.202 -9.431 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.353 -10.642 -0.308 1.00 0.00 H new