USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=42 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 44 THR OG1 : rot 143:sc= 1.06 USER MOD Set 1.2: B 47 SER OG : rot -80:sc= 0.486! USER MOD Set 2.1: A 44 THR OG1 : rot 143:sc= 1.22 USER MOD Set 2.2: A 47 SER OG : rot -79:sc= 0.294! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -30:sc= -0.191 USER MOD Single : A 14 SER OG : rot -93:sc= 1.69 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.201! USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= -3.32! (180deg=-6.23!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.98! C(o=-4.6!,f=-0.98!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 13:sc= -1.27 USER MOD Single : A 32 SER OG : rot -130:sc= -0.103 USER MOD Single : A 33 SER OG : rot 180:sc= -0.15 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 43 GLN : amide:sc= -2.71 K(o=-2.7,f=-4.9!) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0.745 (180deg=0.13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0403 F(o=-0.66,f=-0.04) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0556 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0195 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 173:sc= -0.58 USER MOD Single : B 14 SER OG : rot -92:sc= 1.61 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.144! USER MOD Single : B 19 LYS NZ :NH3+ -101:sc= -3.09! (180deg=-5.95!) USER MOD Single : B 23 ASN :FLIP amide:sc= -1.06! C(o=-4.6!,f=-1.1!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 28:sc= -1.34 USER MOD Single : B 32 SER OG : rot -130:sc= -0.101 USER MOD Single : B 33 SER OG : rot 180:sc= -0.147 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 43 GLN : amide:sc= -2.78 K(o=-2.8,f=-4.7!) USER MOD Single : B 45 LYS NZ :NH3+ -172:sc= 0.717 (180deg=-0.0272!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN :FLIP amide:sc= -0.0453 F(o=-0.68,f=-0.045) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= -0.0507 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.029 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.092 9.723 -3.555 1.00 0.00 N ATOM 52 CA SER A 5 -11.633 10.111 -2.218 1.00 0.00 C ATOM 53 C SER A 5 -10.635 9.708 -1.118 1.00 0.00 C ATOM 54 O SER A 5 -10.090 10.546 -0.427 1.00 0.00 O ATOM 55 CB SER A 5 -12.994 9.427 -2.002 1.00 0.00 C ATOM 56 OG SER A 5 -13.969 10.418 -1.707 1.00 0.00 O ATOM 0 HA SER A 5 -11.774 11.191 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.281 8.870 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.929 8.708 -1.185 1.00 0.00 H new ATOM 0 HG SER A 5 -14.840 9.990 -1.570 1.00 0.00 H new ATOM 62 N ASP A 6 -10.389 8.434 -0.955 1.00 0.00 N ATOM 63 CA ASP A 6 -9.425 7.987 0.098 1.00 0.00 C ATOM 64 C ASP A 6 -8.892 6.588 -0.253 1.00 0.00 C ATOM 65 O ASP A 6 -9.215 5.628 0.418 1.00 0.00 O ATOM 66 CB ASP A 6 -10.136 7.932 1.459 1.00 0.00 C ATOM 67 CG ASP A 6 -9.095 7.923 2.583 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.210 8.762 2.551 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.202 7.077 3.456 1.00 0.00 O ATOM 0 H ASP A 6 -10.812 7.685 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.596 8.692 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.798 8.791 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.759 7.040 1.519 1.00 0.00 H new ATOM 74 N PRO A 7 -8.095 6.501 -1.297 1.00 0.00 N ATOM 75 CA PRO A 7 -7.533 5.206 -1.728 1.00 0.00 C ATOM 76 C PRO A 7 -6.596 4.648 -0.631 1.00 0.00 C ATOM 77 O PRO A 7 -6.246 5.359 0.289 1.00 0.00 O ATOM 78 CB PRO A 7 -6.756 5.526 -3.030 1.00 0.00 C ATOM 79 CG PRO A 7 -6.873 7.059 -3.282 1.00 0.00 C ATOM 80 CD PRO A 7 -7.699 7.661 -2.123 1.00 0.00 C ATOM 0 HA PRO A 7 -8.296 4.446 -1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.711 5.232 -2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.169 4.967 -3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.885 7.516 -3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.357 7.254 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.110 8.374 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.572 8.197 -2.496 1.00 0.00 H new ATOM 88 N PRO A 8 -6.210 3.391 -0.762 1.00 0.00 N ATOM 89 CA PRO A 8 -5.309 2.748 0.218 1.00 0.00 C ATOM 90 C PRO A 8 -3.949 3.464 0.232 1.00 0.00 C ATOM 91 O PRO A 8 -3.827 4.595 -0.195 1.00 0.00 O ATOM 92 CB PRO A 8 -5.167 1.287 -0.274 1.00 0.00 C ATOM 93 CG PRO A 8 -5.875 1.193 -1.656 1.00 0.00 C ATOM 94 CD PRO A 8 -6.633 2.518 -1.880 1.00 0.00 C ATOM 0 HA PRO A 8 -5.694 2.793 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.116 1.011 -0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.620 0.596 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.146 1.029 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.564 0.349 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.380 2.960 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.712 2.362 -1.874 1.00 0.00 H new ATOM 102 N THR A 9 -2.928 2.805 0.718 1.00 0.00 N ATOM 103 CA THR A 9 -1.578 3.438 0.757 1.00 0.00 C ATOM 104 C THR A 9 -0.503 2.352 0.773 1.00 0.00 C ATOM 105 O THR A 9 -0.512 1.463 1.602 1.00 0.00 O ATOM 106 CB THR A 9 -1.449 4.290 2.019 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.600 5.113 2.153 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.199 5.167 1.920 1.00 0.00 C ATOM 0 H THR A 9 -2.972 1.856 1.089 1.00 0.00 H new ATOM 0 HA THR A 9 -1.450 4.066 -0.124 1.00 0.00 H new ATOM 0 HB THR A 9 -1.364 3.640 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.956 5.324 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.108 5.774 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.683 4.534 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.280 5.819 1.050 1.00 0.00 H new ATOM 116 N ALA A 10 0.424 2.421 -0.139 1.00 0.00 N ATOM 117 CA ALA A 10 1.507 1.402 -0.186 1.00 0.00 C ATOM 118 C ALA A 10 2.426 1.570 1.023 1.00 0.00 C ATOM 119 O ALA A 10 3.478 2.170 0.933 1.00 0.00 O ATOM 120 CB ALA A 10 2.318 1.593 -1.466 1.00 0.00 C ATOM 0 H ALA A 10 0.478 3.143 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 10 1.068 0.404 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.114 0.849 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.666 1.474 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.754 2.592 -1.475 1.00 0.00 H new ATOM 126 N CYS A 11 2.040 1.034 2.153 1.00 0.00 N ATOM 127 CA CYS A 11 2.886 1.144 3.382 1.00 0.00 C ATOM 128 C CYS A 11 3.484 -0.230 3.688 1.00 0.00 C ATOM 129 O CYS A 11 2.825 -1.244 3.567 1.00 0.00 O ATOM 130 CB CYS A 11 2.019 1.598 4.560 1.00 0.00 C ATOM 131 SG CYS A 11 1.115 3.100 4.100 1.00 0.00 S ATOM 0 H CYS A 11 1.168 0.520 2.279 1.00 0.00 H new ATOM 0 HA CYS A 11 3.683 1.871 3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.319 0.809 4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.643 1.789 5.433 1.00 0.00 H new ATOM 136 N CYS A 12 4.731 -0.277 4.070 1.00 0.00 N ATOM 137 CA CYS A 12 5.366 -1.590 4.370 1.00 0.00 C ATOM 138 C CYS A 12 4.851 -2.114 5.711 1.00 0.00 C ATOM 139 O CYS A 12 4.611 -1.359 6.633 1.00 0.00 O ATOM 140 CB CYS A 12 6.886 -1.423 4.440 1.00 0.00 C ATOM 141 SG CYS A 12 7.516 -0.943 2.813 1.00 0.00 S ATOM 0 H CYS A 12 5.336 0.536 4.187 1.00 0.00 H new ATOM 0 HA CYS A 12 5.115 -2.299 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.146 -0.666 5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.351 -2.355 4.761 1.00 0.00 H new ATOM 146 N PHE A 13 4.689 -3.408 5.828 1.00 0.00 N ATOM 147 CA PHE A 13 4.198 -4.003 7.109 1.00 0.00 C ATOM 148 C PHE A 13 5.385 -4.621 7.848 1.00 0.00 C ATOM 149 O PHE A 13 5.343 -4.855 9.040 1.00 0.00 O ATOM 150 CB PHE A 13 3.173 -5.096 6.799 1.00 0.00 C ATOM 151 CG PHE A 13 3.848 -6.219 6.050 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.130 -6.080 4.678 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.202 -7.403 6.727 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.765 -7.125 3.982 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.838 -8.448 6.029 1.00 0.00 C ATOM 156 CZ PHE A 13 5.120 -8.309 4.657 1.00 0.00 C ATOM 0 H PHE A 13 4.877 -4.082 5.086 1.00 0.00 H new ATOM 0 HA PHE A 13 3.733 -3.233 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.736 -5.472 7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.357 -4.686 6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.859 -5.172 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.986 -7.509 7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.980 -7.019 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.109 -9.356 6.547 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.608 -9.110 4.122 1.00 0.00 H new ATOM 166 N SER A 14 6.448 -4.884 7.138 1.00 0.00 N ATOM 167 CA SER A 14 7.653 -5.484 7.772 1.00 0.00 C ATOM 168 C SER A 14 8.876 -5.150 6.918 1.00 0.00 C ATOM 169 O SER A 14 8.897 -4.157 6.217 1.00 0.00 O ATOM 170 CB SER A 14 7.485 -7.002 7.854 1.00 0.00 C ATOM 171 OG SER A 14 7.646 -7.563 6.559 1.00 0.00 O ATOM 0 H SER A 14 6.532 -4.707 6.137 1.00 0.00 H new ATOM 0 HA SER A 14 7.782 -5.084 8.778 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.220 -7.424 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.500 -7.250 8.250 1.00 0.00 H new ATOM 0 HG SER A 14 6.771 -7.643 6.126 1.00 0.00 H new ATOM 177 N TYR A 15 9.896 -5.963 6.967 1.00 0.00 N ATOM 178 CA TYR A 15 11.116 -5.678 6.152 1.00 0.00 C ATOM 179 C TYR A 15 11.854 -6.984 5.865 1.00 0.00 C ATOM 180 O TYR A 15 11.632 -7.989 6.512 1.00 0.00 O ATOM 181 CB TYR A 15 12.041 -4.731 6.929 1.00 0.00 C ATOM 182 CG TYR A 15 11.220 -3.680 7.638 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.810 -2.523 6.951 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.866 -3.860 8.989 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.043 -1.546 7.614 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.101 -2.882 9.653 1.00 0.00 C ATOM 187 CZ TYR A 15 9.689 -1.724 8.964 1.00 0.00 C ATOM 188 OH TYR A 15 8.939 -0.766 9.614 1.00 0.00 O ATOM 0 H TYR A 15 9.939 -6.810 7.534 1.00 0.00 H new ATOM 0 HA TYR A 15 10.823 -5.211 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.629 -5.295 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.746 -4.256 6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.083 -2.384 5.915 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.181 -4.748 9.516 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.726 -0.659 7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.830 -3.019 10.689 1.00 0.00 H new ATOM 0 HH TYR A 15 8.782 -1.046 10.540 1.00 0.00 H new ATOM 198 N THR A 16 12.737 -6.978 4.904 1.00 0.00 N ATOM 199 CA THR A 16 13.494 -8.222 4.591 1.00 0.00 C ATOM 200 C THR A 16 14.274 -8.647 5.839 1.00 0.00 C ATOM 201 O THR A 16 13.931 -8.277 6.944 1.00 0.00 O ATOM 202 CB THR A 16 14.443 -7.965 3.411 1.00 0.00 C ATOM 203 OG1 THR A 16 15.262 -9.103 3.195 1.00 0.00 O ATOM 204 CG2 THR A 16 15.321 -6.747 3.698 1.00 0.00 C ATOM 0 H THR A 16 12.966 -6.170 4.325 1.00 0.00 H new ATOM 0 HA THR A 16 12.811 -9.023 4.308 1.00 0.00 H new ATOM 0 HB THR A 16 13.849 -7.773 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.864 -8.934 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.990 -6.574 2.855 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.690 -5.871 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.910 -6.927 4.597 1.00 0.00 H new ATOM 212 N ALA A 17 15.313 -9.426 5.687 1.00 0.00 N ATOM 213 CA ALA A 17 16.097 -9.873 6.878 1.00 0.00 C ATOM 214 C ALA A 17 17.578 -9.947 6.513 1.00 0.00 C ATOM 215 O ALA A 17 18.384 -10.475 7.253 1.00 0.00 O ATOM 216 CB ALA A 17 15.612 -11.259 7.307 1.00 0.00 C ATOM 0 H ALA A 17 15.653 -9.772 4.790 1.00 0.00 H new ATOM 0 HA ALA A 17 15.959 -9.165 7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.181 -11.591 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.553 -11.211 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.756 -11.964 6.489 1.00 0.00 H new ATOM 222 N ARG A 18 17.945 -9.421 5.375 1.00 0.00 N ATOM 223 CA ARG A 18 19.376 -9.458 4.957 1.00 0.00 C ATOM 224 C ARG A 18 19.716 -8.191 4.171 1.00 0.00 C ATOM 225 O ARG A 18 18.962 -7.752 3.325 1.00 0.00 O ATOM 226 CB ARG A 18 19.613 -10.683 4.079 1.00 0.00 C ATOM 227 CG ARG A 18 19.592 -11.942 4.949 1.00 0.00 C ATOM 228 CD ARG A 18 20.068 -13.133 4.125 1.00 0.00 C ATOM 229 NE ARG A 18 21.542 -13.048 3.936 1.00 0.00 N ATOM 230 CZ ARG A 18 22.210 -14.094 3.531 1.00 0.00 C ATOM 231 NH1 ARG A 18 21.586 -15.214 3.290 1.00 0.00 N ATOM 232 NH2 ARG A 18 23.503 -14.018 3.368 1.00 0.00 N ATOM 0 H ARG A 18 17.314 -8.966 4.716 1.00 0.00 H new ATOM 0 HA ARG A 18 20.012 -9.513 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.844 -10.747 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.571 -10.597 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.235 -11.807 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.584 -12.123 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.808 -14.064 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.566 -13.143 3.157 1.00 0.00 H new ATOM 0 HE ARG A 18 22.030 -12.172 4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.576 -15.273 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.108 -16.031 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.990 -13.142 3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.026 -14.835 3.052 1.00 0.00 H new ATOM 246 N LYS A 19 20.851 -7.609 4.436 1.00 0.00 N ATOM 247 CA LYS A 19 21.251 -6.378 3.700 1.00 0.00 C ATOM 248 C LYS A 19 21.413 -6.726 2.218 1.00 0.00 C ATOM 249 O LYS A 19 22.102 -7.661 1.862 1.00 0.00 O ATOM 250 CB LYS A 19 22.578 -5.862 4.287 1.00 0.00 C ATOM 251 CG LYS A 19 23.140 -4.682 3.468 1.00 0.00 C ATOM 252 CD LYS A 19 24.603 -4.427 3.854 1.00 0.00 C ATOM 253 CE LYS A 19 24.749 -4.355 5.378 1.00 0.00 C ATOM 254 NZ LYS A 19 24.786 -5.734 5.941 1.00 0.00 N ATOM 0 H LYS A 19 21.521 -7.934 5.133 1.00 0.00 H new ATOM 0 HA LYS A 19 20.495 -5.600 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.422 -5.548 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.307 -6.672 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.069 -4.901 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.546 -3.786 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.234 -5.223 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.947 -3.495 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.661 -3.819 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.916 -3.798 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.503 -5.783 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.854 -5.973 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.027 -6.410 5.188 1.00 0.00 H new ATOM 268 N LEU A 20 20.785 -5.979 1.351 1.00 0.00 N ATOM 269 CA LEU A 20 20.907 -6.268 -0.105 1.00 0.00 C ATOM 270 C LEU A 20 22.308 -5.829 -0.591 1.00 0.00 C ATOM 271 O LEU A 20 22.657 -4.679 -0.411 1.00 0.00 O ATOM 272 CB LEU A 20 19.862 -5.455 -0.873 1.00 0.00 C ATOM 273 CG LEU A 20 18.476 -5.620 -0.245 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.437 -4.981 -1.166 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.151 -7.108 -0.069 1.00 0.00 C ATOM 0 H LEU A 20 20.194 -5.182 1.588 1.00 0.00 H new ATOM 0 HA LEU A 20 20.758 -7.334 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.143 -4.402 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.836 -5.779 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 20 18.461 -5.136 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.445 -5.093 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.662 -3.922 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.462 -5.472 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.163 -7.214 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.164 -7.601 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.895 -7.569 0.581 1.00 0.00 H new ATOM 287 N PRO A 21 23.082 -6.712 -1.206 1.00 0.00 N ATOM 288 CA PRO A 21 24.414 -6.319 -1.701 1.00 0.00 C ATOM 289 C PRO A 21 24.280 -5.119 -2.641 1.00 0.00 C ATOM 290 O PRO A 21 23.333 -5.019 -3.395 1.00 0.00 O ATOM 291 CB PRO A 21 24.943 -7.557 -2.461 1.00 0.00 C ATOM 292 CG PRO A 21 23.946 -8.721 -2.200 1.00 0.00 C ATOM 293 CD PRO A 21 22.726 -8.129 -1.459 1.00 0.00 C ATOM 0 HA PRO A 21 25.090 -6.024 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.020 -7.349 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.942 -7.822 -2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.638 -9.180 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.416 -9.502 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.822 -8.207 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.534 -8.660 -0.527 1.00 0.00 H new ATOM 301 N ARG A 22 25.224 -4.220 -2.622 1.00 0.00 N ATOM 302 CA ARG A 22 25.142 -3.054 -3.542 1.00 0.00 C ATOM 303 C ARG A 22 24.889 -3.574 -4.959 1.00 0.00 C ATOM 304 O ARG A 22 24.198 -2.959 -5.748 1.00 0.00 O ATOM 305 CB ARG A 22 26.456 -2.273 -3.502 1.00 0.00 C ATOM 306 CG ARG A 22 26.497 -1.406 -2.240 1.00 0.00 C ATOM 307 CD ARG A 22 27.737 -0.521 -2.272 1.00 0.00 C ATOM 308 NE ARG A 22 27.536 0.582 -3.255 1.00 0.00 N ATOM 309 CZ ARG A 22 28.326 1.621 -3.241 1.00 0.00 C ATOM 310 NH1 ARG A 22 29.293 1.694 -2.367 1.00 0.00 N ATOM 311 NH2 ARG A 22 28.148 2.586 -4.100 1.00 0.00 N ATOM 0 H ARG A 22 26.043 -4.242 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 22 24.332 -2.391 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 22 27.301 -2.962 -3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 22 26.546 -1.647 -4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.599 -0.791 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 26.511 -2.038 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.928 -0.109 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.611 -1.112 -2.546 1.00 0.00 H new ATOM 0 HE ARG A 22 26.781 0.525 -3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.431 0.939 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 22 29.910 2.506 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.392 2.529 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 22 28.765 3.398 -4.090 1.00 0.00 H new ATOM 325 N ASN A 23 25.443 -4.714 -5.278 1.00 0.00 N ATOM 326 CA ASN A 23 25.239 -5.297 -6.635 1.00 0.00 C ATOM 327 C ASN A 23 23.816 -5.847 -6.743 1.00 0.00 C ATOM 328 O ASN A 23 23.513 -6.643 -7.610 1.00 0.00 O ATOM 329 CB ASN A 23 26.243 -6.428 -6.860 1.00 0.00 C ATOM 330 CG ASN A 23 27.651 -5.934 -6.522 1.00 0.00 C ATOM 331 OD1 ASN A 23 27.814 -4.705 -6.115 1.00 0.00 O flip ATOM 332 ND2 ASN A 23 28.610 -6.672 -6.629 1.00 0.00 N flip ATOM 0 H ASN A 23 26.030 -5.268 -4.654 1.00 0.00 H new ATOM 0 HA ASN A 23 25.388 -4.525 -7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.987 -7.285 -6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.203 -6.764 -7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.481 -7.633 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.544 -6.331 -6.401 1.00 0.00 H new ATOM 339 N PHE A 24 22.943 -5.437 -5.861 1.00 0.00 N ATOM 340 CA PHE A 24 21.535 -5.942 -5.894 1.00 0.00 C ATOM 341 C PHE A 24 20.584 -4.781 -5.581 1.00 0.00 C ATOM 342 O PHE A 24 19.496 -4.972 -5.078 1.00 0.00 O ATOM 343 CB PHE A 24 21.383 -7.048 -4.834 1.00 0.00 C ATOM 344 CG PHE A 24 20.205 -7.943 -5.159 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.193 -8.683 -6.360 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.125 -8.049 -4.259 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.104 -9.523 -6.657 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.036 -8.890 -4.559 1.00 0.00 C ATOM 349 CZ PHE A 24 18.027 -9.627 -5.758 1.00 0.00 C ATOM 0 H PHE A 24 23.144 -4.771 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 24 21.296 -6.347 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.296 -7.642 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.245 -6.599 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.019 -8.605 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.133 -7.485 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.095 -10.089 -7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.208 -8.969 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.193 -10.273 -5.988 1.00 0.00 H new ATOM 359 N VAL A 25 20.996 -3.577 -5.883 1.00 0.00 N ATOM 360 CA VAL A 25 20.135 -2.388 -5.615 1.00 0.00 C ATOM 361 C VAL A 25 20.437 -1.314 -6.662 1.00 0.00 C ATOM 362 O VAL A 25 21.280 -0.461 -6.464 1.00 0.00 O ATOM 363 CB VAL A 25 20.444 -1.833 -4.221 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.488 -0.683 -3.904 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.266 -2.936 -3.175 1.00 0.00 C ATOM 0 H VAL A 25 21.899 -3.366 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 25 19.085 -2.676 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 25 21.472 -1.472 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.709 -0.289 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.612 0.108 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.461 -1.046 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.487 -2.537 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.238 -3.298 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.946 -3.759 -3.395 1.00 0.00 H new ATOM 375 N VAL A 26 19.761 -1.353 -7.778 1.00 0.00 N ATOM 376 CA VAL A 26 20.013 -0.343 -8.840 1.00 0.00 C ATOM 377 C VAL A 26 19.210 0.922 -8.550 1.00 0.00 C ATOM 378 O VAL A 26 19.408 1.949 -9.170 1.00 0.00 O ATOM 379 CB VAL A 26 19.587 -0.917 -10.190 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.425 -2.156 -10.507 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.104 -1.299 -10.137 1.00 0.00 C ATOM 0 H VAL A 26 19.043 -2.044 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 26 21.075 -0.097 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 26 19.741 -0.169 -10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.120 -2.565 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.479 -1.882 -10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.274 -2.906 -9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.799 -1.709 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.948 -2.046 -9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.508 -0.414 -9.914 1.00 0.00 H new ATOM 391 N ASP A 27 18.302 0.863 -7.618 1.00 0.00 N ATOM 392 CA ASP A 27 17.494 2.072 -7.305 1.00 0.00 C ATOM 393 C ASP A 27 16.688 1.827 -6.034 1.00 0.00 C ATOM 394 O ASP A 27 16.849 0.824 -5.368 1.00 0.00 O ATOM 395 CB ASP A 27 16.540 2.360 -8.467 1.00 0.00 C ATOM 396 CG ASP A 27 15.970 3.772 -8.323 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.723 4.715 -8.506 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.790 3.887 -8.032 1.00 0.00 O ATOM 0 H ASP A 27 18.085 0.035 -7.063 1.00 0.00 H new ATOM 0 HA ASP A 27 18.156 2.926 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.067 2.265 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.731 1.629 -8.477 1.00 0.00 H new ATOM 403 N TYR A 28 15.819 2.736 -5.690 1.00 0.00 N ATOM 404 CA TYR A 28 15.003 2.549 -4.462 1.00 0.00 C ATOM 405 C TYR A 28 13.718 3.364 -4.563 1.00 0.00 C ATOM 406 O TYR A 28 13.427 3.979 -5.570 1.00 0.00 O ATOM 407 CB TYR A 28 15.801 2.978 -3.224 1.00 0.00 C ATOM 408 CG TYR A 28 15.909 4.490 -3.148 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.576 5.207 -4.161 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.348 5.180 -2.053 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.684 6.607 -4.080 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.456 6.580 -1.971 1.00 0.00 C ATOM 413 CZ TYR A 28 16.124 7.296 -2.985 1.00 0.00 C ATOM 414 OH TYR A 28 16.229 8.669 -2.906 1.00 0.00 O ATOM 0 H TYR A 28 15.640 3.598 -6.206 1.00 0.00 H new ATOM 0 HA TYR A 28 14.749 1.493 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.317 2.598 -2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.798 2.539 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.005 4.681 -5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.835 4.632 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.196 7.155 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.027 7.106 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 28 15.788 8.984 -2.089 1.00 0.00 H new ATOM 424 N TYR A 29 12.944 3.352 -3.523 1.00 0.00 N ATOM 425 CA TYR A 29 11.661 4.098 -3.529 1.00 0.00 C ATOM 426 C TYR A 29 11.204 4.280 -2.076 1.00 0.00 C ATOM 427 O TYR A 29 11.332 3.386 -1.269 1.00 0.00 O ATOM 428 CB TYR A 29 10.642 3.281 -4.340 1.00 0.00 C ATOM 429 CG TYR A 29 9.230 3.698 -4.003 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.756 4.956 -4.412 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.392 2.827 -3.280 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.442 5.350 -4.098 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.077 3.219 -2.965 1.00 0.00 C ATOM 434 CZ TYR A 29 6.601 4.481 -3.374 1.00 0.00 C ATOM 435 OH TYR A 29 5.313 4.866 -3.065 1.00 0.00 O ATOM 0 H TYR A 29 13.146 2.852 -2.658 1.00 0.00 H new ATOM 0 HA TYR A 29 11.765 5.083 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.823 3.421 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.772 2.219 -4.131 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.401 5.621 -4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.758 1.860 -2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.078 6.317 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.433 2.553 -2.410 1.00 0.00 H new ATOM 0 HH TYR A 29 4.869 4.150 -2.564 1.00 0.00 H new ATOM 445 N GLU A 30 10.677 5.425 -1.728 1.00 0.00 N ATOM 446 CA GLU A 30 10.220 5.643 -0.317 1.00 0.00 C ATOM 447 C GLU A 30 8.714 5.379 -0.220 1.00 0.00 C ATOM 448 O GLU A 30 7.992 5.469 -1.193 1.00 0.00 O ATOM 449 CB GLU A 30 10.518 7.086 0.098 1.00 0.00 C ATOM 450 CG GLU A 30 12.011 7.237 0.400 1.00 0.00 C ATOM 451 CD GLU A 30 12.349 8.718 0.579 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.427 9.516 0.613 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.525 9.029 0.679 1.00 0.00 O ATOM 0 H GLU A 30 10.542 6.218 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 30 10.749 4.959 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.227 7.771 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.930 7.351 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.268 6.683 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.602 6.814 -0.413 1.00 0.00 H new ATOM 460 N THR A 31 8.240 5.043 0.949 1.00 0.00 N ATOM 461 CA THR A 31 6.783 4.757 1.124 1.00 0.00 C ATOM 462 C THR A 31 5.977 6.054 1.088 1.00 0.00 C ATOM 463 O THR A 31 6.455 7.092 0.677 1.00 0.00 O ATOM 464 CB THR A 31 6.571 4.078 2.478 1.00 0.00 C ATOM 465 OG1 THR A 31 7.237 4.831 3.475 1.00 0.00 O ATOM 466 CG2 THR A 31 7.132 2.655 2.429 1.00 0.00 C ATOM 0 H THR A 31 8.801 4.953 1.796 1.00 0.00 H new ATOM 0 HA THR A 31 6.448 4.109 0.314 1.00 0.00 H new ATOM 0 HB THR A 31 5.507 4.028 2.710 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.496 5.702 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.981 2.171 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.617 2.087 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.198 2.692 2.204 1.00 0.00 H new ATOM 474 N SER A 32 4.748 5.993 1.527 1.00 0.00 N ATOM 475 CA SER A 32 3.882 7.203 1.535 1.00 0.00 C ATOM 476 C SER A 32 4.108 7.986 2.827 1.00 0.00 C ATOM 477 O SER A 32 5.208 8.081 3.331 1.00 0.00 O ATOM 478 CB SER A 32 2.419 6.771 1.464 1.00 0.00 C ATOM 479 OG SER A 32 2.238 5.906 0.351 1.00 0.00 O ATOM 0 H SER A 32 4.305 5.146 1.884 1.00 0.00 H new ATOM 0 HA SER A 32 4.128 7.832 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.133 6.262 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.774 7.645 1.369 1.00 0.00 H new ATOM 0 HG SER A 32 1.474 6.213 -0.181 1.00 0.00 H new ATOM 485 N SER A 33 3.060 8.549 3.362 1.00 0.00 N ATOM 486 CA SER A 33 3.177 9.338 4.626 1.00 0.00 C ATOM 487 C SER A 33 1.914 9.128 5.455 1.00 0.00 C ATOM 488 O SER A 33 1.954 9.063 6.668 1.00 0.00 O ATOM 489 CB SER A 33 3.303 10.817 4.279 1.00 0.00 C ATOM 490 OG SER A 33 2.010 11.346 4.014 1.00 0.00 O ATOM 0 H SER A 33 2.118 8.497 2.975 1.00 0.00 H new ATOM 0 HA SER A 33 4.052 9.014 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.769 11.358 5.103 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.947 10.945 3.409 1.00 0.00 H new ATOM 0 HG SER A 33 2.085 12.298 3.792 1.00 0.00 H new ATOM 496 N LEU A 34 0.793 9.031 4.793 1.00 0.00 N ATOM 497 CA LEU A 34 -0.506 8.829 5.500 1.00 0.00 C ATOM 498 C LEU A 34 -0.334 7.847 6.659 1.00 0.00 C ATOM 499 O LEU A 34 -0.633 8.151 7.797 1.00 0.00 O ATOM 500 CB LEU A 34 -1.537 8.262 4.519 1.00 0.00 C ATOM 501 CG LEU A 34 -1.446 8.989 3.176 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.597 8.533 2.275 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.538 10.502 3.404 1.00 0.00 C ATOM 0 H LEU A 34 0.721 9.084 3.777 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.845 9.789 5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.365 7.195 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.540 8.370 4.932 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.495 8.755 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.535 9.049 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.528 7.457 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.548 8.768 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.473 11.019 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.488 10.741 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.718 10.824 4.046 1.00 0.00 H new ATOM 515 N CYS A 35 0.140 6.669 6.374 1.00 0.00 N ATOM 516 CA CYS A 35 0.328 5.664 7.455 1.00 0.00 C ATOM 517 C CYS A 35 1.477 6.111 8.365 1.00 0.00 C ATOM 518 O CYS A 35 2.542 6.466 7.911 1.00 0.00 O ATOM 519 CB CYS A 35 0.640 4.295 6.839 1.00 0.00 C ATOM 520 SG CYS A 35 1.745 4.496 5.420 1.00 0.00 S ATOM 0 H CYS A 35 0.406 6.358 5.440 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.585 5.582 8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.104 3.649 7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.284 3.808 6.526 1.00 0.00 H new ATOM 525 N SER A 36 1.251 6.120 9.649 1.00 0.00 N ATOM 526 CA SER A 36 2.313 6.559 10.602 1.00 0.00 C ATOM 527 C SER A 36 3.499 5.581 10.606 1.00 0.00 C ATOM 528 O SER A 36 4.138 5.397 11.622 1.00 0.00 O ATOM 529 CB SER A 36 1.722 6.634 12.009 1.00 0.00 C ATOM 530 OG SER A 36 0.561 7.454 11.988 1.00 0.00 O ATOM 0 H SER A 36 0.371 5.841 10.083 1.00 0.00 H new ATOM 0 HA SER A 36 2.676 7.537 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.469 5.635 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.457 7.042 12.703 1.00 0.00 H new ATOM 0 HG SER A 36 0.179 7.503 12.889 1.00 0.00 H new ATOM 536 N GLN A 37 3.813 4.945 9.503 1.00 0.00 N ATOM 537 CA GLN A 37 4.968 3.992 9.518 1.00 0.00 C ATOM 538 C GLN A 37 5.587 3.849 8.118 1.00 0.00 C ATOM 539 O GLN A 37 5.563 2.775 7.555 1.00 0.00 O ATOM 540 CB GLN A 37 4.481 2.621 9.994 1.00 0.00 C ATOM 541 CG GLN A 37 3.190 2.248 9.261 1.00 0.00 C ATOM 542 CD GLN A 37 2.754 0.841 9.677 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.732 0.523 10.850 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.405 -0.018 8.760 1.00 0.00 N ATOM 0 H GLN A 37 3.331 5.041 8.609 1.00 0.00 H new ATOM 0 HA GLN A 37 5.729 4.382 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.247 1.868 9.808 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.307 2.640 11.070 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.405 2.967 9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.347 2.288 8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.424 0.250 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.113 -0.958 9.027 1.00 0.00 H new ATOM 553 N PRO A 38 6.148 4.921 7.600 1.00 0.00 N ATOM 554 CA PRO A 38 6.798 4.884 6.275 1.00 0.00 C ATOM 555 C PRO A 38 8.057 4.006 6.362 1.00 0.00 C ATOM 556 O PRO A 38 8.407 3.503 7.410 1.00 0.00 O ATOM 557 CB PRO A 38 7.164 6.357 5.974 1.00 0.00 C ATOM 558 CG PRO A 38 6.876 7.181 7.264 1.00 0.00 C ATOM 559 CD PRO A 38 6.179 6.238 8.272 1.00 0.00 C ATOM 0 HA PRO A 38 6.164 4.466 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.213 6.442 5.691 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.576 6.735 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.803 7.573 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.241 8.038 7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.728 6.189 9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.173 6.585 8.508 1.00 0.00 H new ATOM 567 N ALA A 39 8.734 3.828 5.266 1.00 0.00 N ATOM 568 CA ALA A 39 9.966 3.002 5.259 1.00 0.00 C ATOM 569 C ALA A 39 10.660 3.200 3.917 1.00 0.00 C ATOM 570 O ALA A 39 10.092 3.763 3.001 1.00 0.00 O ATOM 571 CB ALA A 39 9.598 1.526 5.431 1.00 0.00 C ATOM 0 H ALA A 39 8.481 4.226 4.362 1.00 0.00 H new ATOM 0 HA ALA A 39 10.624 3.299 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.505 0.922 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.077 1.389 6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.950 1.215 4.612 1.00 0.00 H new ATOM 577 N VAL A 40 11.868 2.726 3.772 1.00 0.00 N ATOM 578 CA VAL A 40 12.572 2.874 2.463 1.00 0.00 C ATOM 579 C VAL A 40 12.391 1.569 1.692 1.00 0.00 C ATOM 580 O VAL A 40 12.346 0.500 2.267 1.00 0.00 O ATOM 581 CB VAL A 40 14.064 3.152 2.699 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.851 2.904 1.407 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.242 4.613 3.116 1.00 0.00 C ATOM 0 H VAL A 40 12.397 2.245 4.499 1.00 0.00 H new ATOM 0 HA VAL A 40 12.160 3.709 1.896 1.00 0.00 H new ATOM 0 HB VAL A 40 14.434 2.490 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.908 3.103 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.723 1.867 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.482 3.565 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.299 4.817 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.869 5.265 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.685 4.800 4.034 1.00 0.00 H new ATOM 593 N VAL A 41 12.266 1.658 0.397 1.00 0.00 N ATOM 594 CA VAL A 41 12.060 0.436 -0.443 1.00 0.00 C ATOM 595 C VAL A 41 13.195 0.317 -1.461 1.00 0.00 C ATOM 596 O VAL A 41 13.363 1.159 -2.316 1.00 0.00 O ATOM 597 CB VAL A 41 10.716 0.566 -1.163 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.262 -0.794 -1.685 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.671 1.098 -0.180 1.00 0.00 C ATOM 0 H VAL A 41 12.298 2.534 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 41 12.058 -0.458 0.181 1.00 0.00 H new ATOM 0 HB VAL A 41 10.827 1.251 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.305 -0.687 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.004 -1.182 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.153 -1.486 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.710 1.193 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.573 0.406 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.984 2.074 0.191 1.00 0.00 H new ATOM 609 N PHE A 42 13.985 -0.721 -1.375 1.00 0.00 N ATOM 610 CA PHE A 42 15.117 -0.878 -2.336 1.00 0.00 C ATOM 611 C PHE A 42 14.660 -1.662 -3.568 1.00 0.00 C ATOM 612 O PHE A 42 14.017 -2.688 -3.467 1.00 0.00 O ATOM 613 CB PHE A 42 16.265 -1.640 -1.662 1.00 0.00 C ATOM 614 CG PHE A 42 17.005 -0.729 -0.705 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.687 0.405 -1.194 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.022 -1.018 0.673 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.381 1.246 -0.303 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.718 -0.178 1.560 1.00 0.00 C ATOM 619 CZ PHE A 42 18.397 0.955 1.073 1.00 0.00 C ATOM 0 H PHE A 42 13.896 -1.465 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 42 15.455 0.113 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.872 -2.503 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.952 -2.021 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.677 0.628 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.500 -1.886 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.902 2.115 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.732 -0.402 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.930 1.600 1.756 1.00 0.00 H new ATOM 629 N GLN A 43 15.017 -1.191 -4.734 1.00 0.00 N ATOM 630 CA GLN A 43 14.647 -1.902 -5.992 1.00 0.00 C ATOM 631 C GLN A 43 15.857 -2.743 -6.409 1.00 0.00 C ATOM 632 O GLN A 43 16.945 -2.218 -6.576 1.00 0.00 O ATOM 633 CB GLN A 43 14.318 -0.864 -7.065 1.00 0.00 C ATOM 634 CG GLN A 43 13.100 -0.045 -6.627 1.00 0.00 C ATOM 635 CD GLN A 43 12.996 1.217 -7.486 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.587 2.257 -7.011 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.351 1.169 -8.741 1.00 0.00 N ATOM 0 H GLN A 43 15.555 -0.335 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 43 13.777 -2.543 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.173 -0.207 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.114 -1.359 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.193 -0.641 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.190 0.225 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.695 0.296 -9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.285 2.005 -9.322 1.00 0.00 H new ATOM 646 N THR A 44 15.706 -4.048 -6.530 1.00 0.00 N ATOM 647 CA THR A 44 16.896 -4.904 -6.876 1.00 0.00 C ATOM 648 C THR A 44 16.935 -5.249 -8.364 1.00 0.00 C ATOM 649 O THR A 44 16.388 -4.556 -9.198 1.00 0.00 O ATOM 650 CB THR A 44 16.833 -6.204 -6.078 1.00 0.00 C ATOM 651 OG1 THR A 44 15.963 -7.110 -6.736 1.00 0.00 O ATOM 652 CG2 THR A 44 16.305 -5.913 -4.672 1.00 0.00 C ATOM 0 H THR A 44 14.827 -4.550 -6.407 1.00 0.00 H new ATOM 0 HA THR A 44 17.794 -4.337 -6.629 1.00 0.00 H new ATOM 0 HB THR A 44 17.829 -6.641 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.314 -8.021 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.260 -6.840 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.972 -5.211 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.307 -5.480 -4.741 1.00 0.00 H new ATOM 660 N LYS A 45 17.607 -6.330 -8.687 1.00 0.00 N ATOM 661 CA LYS A 45 17.740 -6.771 -10.110 1.00 0.00 C ATOM 662 C LYS A 45 17.008 -8.103 -10.316 1.00 0.00 C ATOM 663 O LYS A 45 16.571 -8.408 -11.409 1.00 0.00 O ATOM 664 CB LYS A 45 19.226 -6.973 -10.434 1.00 0.00 C ATOM 665 CG LYS A 45 20.049 -5.806 -9.885 1.00 0.00 C ATOM 666 CD LYS A 45 21.528 -6.039 -10.210 1.00 0.00 C ATOM 667 CE LYS A 45 22.345 -4.802 -9.826 1.00 0.00 C ATOM 668 NZ LYS A 45 23.785 -5.172 -9.724 1.00 0.00 N ATOM 0 H LYS A 45 18.076 -6.934 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 45 17.307 -6.012 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.576 -7.910 -10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.364 -7.049 -11.513 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.711 -4.868 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.910 -5.722 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.896 -6.911 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.647 -6.249 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.211 -4.018 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.993 -4.401 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.320 -4.378 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.886 -6.007 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.155 -5.390 -10.671 1.00 0.00 H new ATOM 682 N ARG A 46 16.882 -8.903 -9.279 1.00 0.00 N ATOM 683 CA ARG A 46 16.188 -10.230 -9.412 1.00 0.00 C ATOM 684 C ARG A 46 15.000 -10.257 -8.448 1.00 0.00 C ATOM 685 O ARG A 46 14.787 -11.201 -7.720 1.00 0.00 O ATOM 686 CB ARG A 46 17.183 -11.361 -9.072 1.00 0.00 C ATOM 687 CG ARG A 46 16.743 -12.709 -9.696 1.00 0.00 C ATOM 688 CD ARG A 46 15.688 -13.420 -8.829 1.00 0.00 C ATOM 689 NE ARG A 46 15.792 -14.902 -9.034 1.00 0.00 N ATOM 690 CZ ARG A 46 15.784 -15.424 -10.233 1.00 0.00 C ATOM 691 NH1 ARG A 46 15.480 -14.696 -11.271 1.00 0.00 N ATOM 692 NH2 ARG A 46 16.021 -16.698 -10.383 1.00 0.00 N ATOM 0 H ARG A 46 17.231 -8.694 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 46 15.830 -10.374 -10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.175 -11.096 -9.437 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.259 -11.467 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.337 -12.534 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.612 -13.356 -9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.840 -13.176 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.689 -13.074 -9.095 1.00 0.00 H new ATOM 0 HE ARG A 46 15.871 -15.515 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.246 -13.710 -11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.476 -15.112 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.211 -17.281 -9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.016 -17.111 -11.315 1.00 0.00 H new ATOM 706 N SER A 47 14.218 -9.221 -8.449 1.00 0.00 N ATOM 707 CA SER A 47 13.036 -9.177 -7.559 1.00 0.00 C ATOM 708 C SER A 47 12.162 -8.013 -8.003 1.00 0.00 C ATOM 709 O SER A 47 11.703 -7.960 -9.128 1.00 0.00 O ATOM 710 CB SER A 47 13.470 -9.005 -6.096 1.00 0.00 C ATOM 711 OG SER A 47 13.912 -7.674 -5.878 1.00 0.00 O ATOM 0 H SER A 47 14.349 -8.396 -9.034 1.00 0.00 H new ATOM 0 HA SER A 47 12.477 -10.111 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.638 -9.235 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.270 -9.707 -5.860 1.00 0.00 H new ATOM 0 HG SER A 47 14.827 -7.574 -6.216 1.00 0.00 H new ATOM 717 N LYS A 48 11.937 -7.079 -7.145 1.00 0.00 N ATOM 718 CA LYS A 48 11.108 -5.912 -7.520 1.00 0.00 C ATOM 719 C LYS A 48 11.364 -4.806 -6.510 1.00 0.00 C ATOM 720 O LYS A 48 12.202 -3.949 -6.704 1.00 0.00 O ATOM 721 CB LYS A 48 9.628 -6.301 -7.500 1.00 0.00 C ATOM 722 CG LYS A 48 8.770 -5.061 -7.756 1.00 0.00 C ATOM 723 CD LYS A 48 7.344 -5.490 -8.109 1.00 0.00 C ATOM 724 CE LYS A 48 6.502 -4.254 -8.430 1.00 0.00 C ATOM 725 NZ LYS A 48 5.076 -4.652 -8.597 1.00 0.00 N ATOM 0 H LYS A 48 12.293 -7.069 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 48 11.365 -5.573 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.430 -7.057 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.370 -6.742 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.761 -4.423 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.196 -4.473 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.358 -6.166 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.902 -6.038 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.594 -3.520 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.867 -3.779 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.504 -3.811 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.996 -5.337 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.731 -5.086 -7.717 1.00 0.00 H new ATOM 739 N GLN A 49 10.644 -4.841 -5.421 1.00 0.00 N ATOM 740 CA GLN A 49 10.805 -3.818 -4.350 1.00 0.00 C ATOM 741 C GLN A 49 10.983 -4.539 -3.006 1.00 0.00 C ATOM 742 O GLN A 49 10.389 -5.572 -2.760 1.00 0.00 O ATOM 743 CB GLN A 49 9.536 -2.947 -4.318 1.00 0.00 C ATOM 744 CG GLN A 49 9.708 -1.722 -5.225 1.00 0.00 C ATOM 745 CD GLN A 49 8.358 -1.024 -5.402 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.989 -0.114 -4.542 1.00 0.00 O flip ATOM 747 NE2 GLN A 49 7.630 -1.310 -6.333 1.00 0.00 N flip ATOM 0 H GLN A 49 9.937 -5.550 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 49 11.675 -3.189 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.677 -3.532 -4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.333 -2.626 -3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.431 -1.033 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.102 -2.027 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.918 -2.021 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.732 -0.839 -6.441 1.00 0.00 H new ATOM 756 N VAL A 50 11.797 -3.998 -2.136 1.00 0.00 N ATOM 757 CA VAL A 50 12.020 -4.637 -0.800 1.00 0.00 C ATOM 758 C VAL A 50 12.008 -3.558 0.275 1.00 0.00 C ATOM 759 O VAL A 50 12.771 -2.619 0.229 1.00 0.00 O ATOM 760 CB VAL A 50 13.374 -5.352 -0.788 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.480 -6.215 0.472 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.498 -6.236 -2.034 1.00 0.00 C ATOM 0 H VAL A 50 12.320 -3.137 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 50 11.230 -5.363 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 50 14.177 -4.615 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.443 -6.725 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.394 -5.582 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.678 -6.953 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.462 -6.745 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.697 -6.976 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.423 -5.617 -2.928 1.00 0.00 H new ATOM 772 N CYS A 51 11.149 -3.690 1.245 1.00 0.00 N ATOM 773 CA CYS A 51 11.081 -2.669 2.323 1.00 0.00 C ATOM 774 C CYS A 51 12.304 -2.810 3.224 1.00 0.00 C ATOM 775 O CYS A 51 12.860 -3.881 3.372 1.00 0.00 O ATOM 776 CB CYS A 51 9.810 -2.892 3.143 1.00 0.00 C ATOM 777 SG CYS A 51 8.360 -2.631 2.091 1.00 0.00 S ATOM 0 H CYS A 51 10.490 -4.463 1.337 1.00 0.00 H new ATOM 0 HA CYS A 51 11.064 -1.669 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.800 -3.903 3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.786 -2.207 3.990 1.00 0.00 H new ATOM 782 N ALA A 52 12.739 -1.730 3.819 1.00 0.00 N ATOM 783 CA ALA A 52 13.941 -1.790 4.706 1.00 0.00 C ATOM 784 C ALA A 52 13.736 -0.866 5.908 1.00 0.00 C ATOM 785 O ALA A 52 13.284 0.255 5.775 1.00 0.00 O ATOM 786 CB ALA A 52 15.170 -1.328 3.920 1.00 0.00 C ATOM 0 H ALA A 52 12.314 -0.807 3.729 1.00 0.00 H new ATOM 0 HA ALA A 52 14.087 -2.813 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.050 -1.370 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.318 -1.980 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.019 -0.304 3.578 1.00 0.00 H new ATOM 792 N ASP A 53 14.063 -1.333 7.083 1.00 0.00 N ATOM 793 CA ASP A 53 13.889 -0.494 8.302 1.00 0.00 C ATOM 794 C ASP A 53 14.893 0.685 8.265 1.00 0.00 C ATOM 795 O ASP A 53 16.084 0.443 8.285 1.00 0.00 O ATOM 796 CB ASP A 53 14.183 -1.352 9.535 1.00 0.00 C ATOM 797 CG ASP A 53 15.486 -2.124 9.320 1.00 0.00 C ATOM 798 OD1 ASP A 53 16.090 -1.948 8.274 1.00 0.00 O ATOM 799 OD2 ASP A 53 15.857 -2.878 10.203 1.00 0.00 O ATOM 0 H ASP A 53 14.445 -2.264 7.251 1.00 0.00 H new ATOM 0 HA ASP A 53 12.870 -0.108 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.264 -0.721 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.362 -2.046 9.713 1.00 0.00 H new ATOM 804 N PRO A 54 14.427 1.928 8.213 1.00 0.00 N ATOM 805 CA PRO A 54 15.355 3.080 8.179 1.00 0.00 C ATOM 806 C PRO A 54 16.218 3.101 9.451 1.00 0.00 C ATOM 807 O PRO A 54 17.119 3.903 9.588 1.00 0.00 O ATOM 808 CB PRO A 54 14.447 4.329 8.106 1.00 0.00 C ATOM 809 CG PRO A 54 12.971 3.839 8.092 1.00 0.00 C ATOM 810 CD PRO A 54 12.990 2.297 8.182 1.00 0.00 C ATOM 0 HA PRO A 54 16.042 3.035 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.625 4.982 8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.666 4.909 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.418 4.265 8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.469 4.163 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.474 1.948 9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.486 1.846 7.327 1.00 0.00 H new ATOM 818 N SER A 55 15.933 2.238 10.383 1.00 0.00 N ATOM 819 CA SER A 55 16.719 2.221 11.651 1.00 0.00 C ATOM 820 C SER A 55 18.079 1.557 11.419 1.00 0.00 C ATOM 821 O SER A 55 19.004 1.741 12.185 1.00 0.00 O ATOM 822 CB SER A 55 15.948 1.438 12.715 1.00 0.00 C ATOM 823 OG SER A 55 16.819 1.136 13.797 1.00 0.00 O ATOM 0 H SER A 55 15.190 1.542 10.324 1.00 0.00 H new ATOM 0 HA SER A 55 16.876 3.246 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.098 2.022 13.069 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.547 0.519 12.288 1.00 0.00 H new ATOM 0 HG SER A 55 16.328 0.635 14.482 1.00 0.00 H new ATOM 829 N GLU A 56 18.216 0.791 10.370 1.00 0.00 N ATOM 830 CA GLU A 56 19.526 0.127 10.104 1.00 0.00 C ATOM 831 C GLU A 56 20.465 1.124 9.413 1.00 0.00 C ATOM 832 O GLU A 56 20.185 1.632 8.345 1.00 0.00 O ATOM 833 CB GLU A 56 19.307 -1.096 9.210 1.00 0.00 C ATOM 834 CG GLU A 56 18.812 -2.273 10.055 1.00 0.00 C ATOM 835 CD GLU A 56 19.974 -2.845 10.870 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.079 -2.869 10.351 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.741 -3.248 11.997 1.00 0.00 O ATOM 0 H GLU A 56 17.482 0.597 9.689 1.00 0.00 H new ATOM 0 HA GLU A 56 19.974 -0.197 11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.580 -0.864 8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.237 -1.362 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.014 -1.945 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.392 -3.045 9.410 1.00 0.00 H new ATOM 844 N SER A 57 21.568 1.413 10.038 1.00 0.00 N ATOM 845 CA SER A 57 22.544 2.384 9.468 1.00 0.00 C ATOM 846 C SER A 57 22.878 2.060 8.009 1.00 0.00 C ATOM 847 O SER A 57 23.025 2.949 7.193 1.00 0.00 O ATOM 848 CB SER A 57 23.829 2.348 10.296 1.00 0.00 C ATOM 849 OG SER A 57 24.468 1.091 10.116 1.00 0.00 O ATOM 0 H SER A 57 21.841 1.012 10.935 1.00 0.00 H new ATOM 0 HA SER A 57 22.093 3.376 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.495 3.155 9.990 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.601 2.505 11.350 1.00 0.00 H new ATOM 0 HG SER A 57 25.293 1.065 10.644 1.00 0.00 H new ATOM 855 N TRP A 58 23.029 0.809 7.664 1.00 0.00 N ATOM 856 CA TRP A 58 23.384 0.487 6.253 1.00 0.00 C ATOM 857 C TRP A 58 22.290 0.993 5.319 1.00 0.00 C ATOM 858 O TRP A 58 22.549 1.367 4.194 1.00 0.00 O ATOM 859 CB TRP A 58 23.615 -1.022 6.080 1.00 0.00 C ATOM 860 CG TRP A 58 22.326 -1.784 6.038 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.850 -2.546 7.048 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.367 -1.905 4.945 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.662 -3.130 6.648 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.314 -2.762 5.367 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.301 -1.361 3.640 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.236 -3.069 4.527 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.216 -1.668 2.791 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.185 -2.519 3.236 1.00 0.00 C ATOM 0 H TRP A 58 22.924 0.008 8.287 1.00 0.00 H new ATOM 0 HA TRP A 58 24.316 0.990 5.996 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.172 -1.201 5.160 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.229 -1.392 6.902 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.321 -2.677 8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.110 -3.758 7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.086 -0.707 3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.449 -3.724 4.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.176 -1.249 1.796 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.355 -2.748 2.584 1.00 0.00 H new ATOM 879 N VAL A 59 21.074 1.040 5.777 1.00 0.00 N ATOM 880 CA VAL A 59 19.986 1.549 4.904 1.00 0.00 C ATOM 881 C VAL A 59 20.235 3.026 4.636 1.00 0.00 C ATOM 882 O VAL A 59 20.167 3.485 3.513 1.00 0.00 O ATOM 883 CB VAL A 59 18.645 1.365 5.609 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.517 1.939 4.746 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.418 -0.127 5.835 1.00 0.00 C ATOM 0 H VAL A 59 20.787 0.750 6.712 1.00 0.00 H new ATOM 0 HA VAL A 59 19.967 1.002 3.962 1.00 0.00 H new ATOM 0 HB VAL A 59 18.652 1.890 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.563 1.804 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.691 3.002 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.492 1.420 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.463 -0.278 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.407 -0.643 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.221 -0.528 6.453 1.00 0.00 H new ATOM 895 N GLN A 60 20.546 3.773 5.654 1.00 0.00 N ATOM 896 CA GLN A 60 20.822 5.220 5.444 1.00 0.00 C ATOM 897 C GLN A 60 22.075 5.367 4.575 1.00 0.00 C ATOM 898 O GLN A 60 22.163 6.241 3.735 1.00 0.00 O ATOM 899 CB GLN A 60 21.052 5.902 6.795 1.00 0.00 C ATOM 900 CG GLN A 60 19.888 5.580 7.734 1.00 0.00 C ATOM 901 CD GLN A 60 20.100 6.293 9.071 1.00 0.00 C ATOM 902 OE1 GLN A 60 20.426 5.667 10.061 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.926 7.584 9.144 1.00 0.00 N ATOM 0 H GLN A 60 20.621 3.448 6.618 1.00 0.00 H new ATOM 0 HA GLN A 60 19.972 5.688 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.991 5.560 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.137 6.980 6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.946 5.897 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.820 4.503 7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.653 8.110 8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.063 8.068 10.031 1.00 0.00 H new ATOM 912 N GLU A 61 23.043 4.516 4.775 1.00 0.00 N ATOM 913 CA GLU A 61 24.297 4.594 3.969 1.00 0.00 C ATOM 914 C GLU A 61 23.999 4.283 2.500 1.00 0.00 C ATOM 915 O GLU A 61 24.407 5.000 1.608 1.00 0.00 O ATOM 916 CB GLU A 61 25.311 3.583 4.509 1.00 0.00 C ATOM 917 CG GLU A 61 26.672 3.826 3.854 1.00 0.00 C ATOM 918 CD GLU A 61 27.670 2.774 4.342 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.898 2.714 5.538 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.189 2.048 3.511 1.00 0.00 O ATOM 0 H GLU A 61 23.021 3.765 5.465 1.00 0.00 H new ATOM 0 HA GLU A 61 24.706 5.602 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.394 3.678 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.973 2.567 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.579 3.778 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.032 4.825 4.099 1.00 0.00 H new ATOM 927 N TYR A 62 23.294 3.216 2.241 1.00 0.00 N ATOM 928 CA TYR A 62 22.976 2.855 0.829 1.00 0.00 C ATOM 929 C TYR A 62 22.142 3.970 0.191 1.00 0.00 C ATOM 930 O TYR A 62 22.286 4.272 -0.977 1.00 0.00 O ATOM 931 CB TYR A 62 22.188 1.533 0.792 1.00 0.00 C ATOM 932 CG TYR A 62 23.130 0.343 0.873 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.123 0.276 1.874 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.007 -0.708 -0.060 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.987 -0.836 1.937 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.871 -1.816 0.005 1.00 0.00 C ATOM 937 CZ TYR A 62 24.860 -1.881 1.003 1.00 0.00 C ATOM 938 OH TYR A 62 25.707 -2.968 1.066 1.00 0.00 O ATOM 0 H TYR A 62 22.924 2.578 2.946 1.00 0.00 H new ATOM 0 HA TYR A 62 23.905 2.732 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.482 1.501 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.603 1.478 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.221 1.077 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.247 -0.662 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.747 -0.886 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.775 -2.618 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 62 25.484 -3.598 0.350 1.00 0.00 H new ATOM 948 N VAL A 63 21.280 4.593 0.945 1.00 0.00 N ATOM 949 CA VAL A 63 20.458 5.689 0.374 1.00 0.00 C ATOM 950 C VAL A 63 21.391 6.833 0.003 1.00 0.00 C ATOM 951 O VAL A 63 21.245 7.467 -1.021 1.00 0.00 O ATOM 952 CB VAL A 63 19.440 6.161 1.415 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.768 7.453 0.940 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.376 5.077 1.611 1.00 0.00 C ATOM 0 H VAL A 63 21.111 4.389 1.930 1.00 0.00 H new ATOM 0 HA VAL A 63 19.919 5.344 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 63 19.952 6.350 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.045 7.783 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.524 8.226 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.257 7.271 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.649 5.410 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.869 4.889 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.851 4.159 1.956 1.00 0.00 H new ATOM 964 N TYR A 64 22.356 7.092 0.835 1.00 0.00 N ATOM 965 CA TYR A 64 23.312 8.188 0.548 1.00 0.00 C ATOM 966 C TYR A 64 24.076 7.860 -0.733 1.00 0.00 C ATOM 967 O TYR A 64 24.283 8.701 -1.584 1.00 0.00 O ATOM 968 CB TYR A 64 24.295 8.316 1.714 1.00 0.00 C ATOM 969 CG TYR A 64 24.969 9.670 1.673 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.248 10.825 2.032 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.317 9.777 1.277 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.874 12.086 1.995 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.942 11.037 1.239 1.00 0.00 C ATOM 974 CZ TYR A 64 26.221 12.192 1.598 1.00 0.00 C ATOM 975 OH TYR A 64 26.834 13.428 1.561 1.00 0.00 O ATOM 0 H TYR A 64 22.523 6.588 1.706 1.00 0.00 H new ATOM 0 HA TYR A 64 22.775 9.128 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.769 8.191 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.044 7.526 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.215 10.744 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.871 8.891 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.321 12.972 2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.975 11.118 0.934 1.00 0.00 H new ATOM 0 HH TYR A 64 27.763 13.324 1.267 1.00 0.00 H new ATOM 985 N ASP A 65 24.494 6.636 -0.868 1.00 0.00 N ATOM 986 CA ASP A 65 25.251 6.229 -2.085 1.00 0.00 C ATOM 987 C ASP A 65 24.374 6.431 -3.324 1.00 0.00 C ATOM 988 O ASP A 65 24.850 6.776 -4.387 1.00 0.00 O ATOM 989 CB ASP A 65 25.636 4.751 -1.962 1.00 0.00 C ATOM 990 CG ASP A 65 26.858 4.608 -1.051 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.963 4.734 -1.551 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.667 4.375 0.132 1.00 0.00 O ATOM 0 H ASP A 65 24.344 5.894 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 65 26.151 6.836 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.800 4.180 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.855 4.340 -2.947 1.00 0.00 H new ATOM 997 N LEU A 66 23.097 6.217 -3.191 1.00 0.00 N ATOM 998 CA LEU A 66 22.181 6.393 -4.353 1.00 0.00 C ATOM 999 C LEU A 66 22.025 7.886 -4.660 1.00 0.00 C ATOM 1000 O LEU A 66 21.818 8.277 -5.792 1.00 0.00 O ATOM 1001 CB LEU A 66 20.818 5.780 -4.000 1.00 0.00 C ATOM 1002 CG LEU A 66 20.856 4.248 -4.198 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.755 3.590 -3.363 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.620 3.897 -5.676 1.00 0.00 C ATOM 0 H LEU A 66 22.645 5.926 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 66 22.588 5.896 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.562 6.014 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.041 6.216 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 66 21.835 3.885 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.786 2.510 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.910 3.821 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.783 3.970 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.649 2.815 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.645 4.272 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.398 4.355 -6.287 1.00 0.00 H new ATOM 1016 N GLU A 67 22.130 8.718 -3.665 1.00 0.00 N ATOM 1017 CA GLU A 67 21.996 10.185 -3.904 1.00 0.00 C ATOM 1018 C GLU A 67 23.250 10.693 -4.612 1.00 0.00 C ATOM 1019 O GLU A 67 23.212 11.650 -5.360 1.00 0.00 O ATOM 1020 CB GLU A 67 21.846 10.909 -2.564 1.00 0.00 C ATOM 1021 CG GLU A 67 20.475 10.596 -1.969 1.00 0.00 C ATOM 1022 CD GLU A 67 20.228 11.494 -0.755 1.00 0.00 C ATOM 1023 OE1 GLU A 67 21.119 12.253 -0.413 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.150 11.407 -0.189 1.00 0.00 O ATOM 0 H GLU A 67 22.303 8.449 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 67 21.118 10.376 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.633 10.595 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.957 11.984 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.698 10.755 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.425 9.548 -1.675 1.00 0.00 H new ATOM 1116 N SER B 5 10.995 -9.716 -3.388 1.00 0.00 N ATOM 1117 CA SER B 5 11.533 -10.083 -2.044 1.00 0.00 C ATOM 1118 C SER B 5 10.531 -9.665 -0.953 1.00 0.00 C ATOM 1119 O SER B 5 9.985 -10.493 -0.252 1.00 0.00 O ATOM 1120 CB SER B 5 12.893 -9.396 -1.834 1.00 0.00 C ATOM 1121 OG SER B 5 13.867 -10.384 -1.522 1.00 0.00 O ATOM 0 HA SER B 5 11.675 -11.162 -1.983 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.183 -8.852 -2.733 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.826 -8.666 -1.028 1.00 0.00 H new ATOM 0 HG SER B 5 14.738 -9.954 -1.388 1.00 0.00 H new ATOM 1127 N ASP B 6 10.286 -8.390 -0.808 1.00 0.00 N ATOM 1128 CA ASP B 6 9.318 -7.927 0.236 1.00 0.00 C ATOM 1129 C ASP B 6 8.786 -6.534 -0.136 1.00 0.00 C ATOM 1130 O ASP B 6 9.108 -5.564 0.523 1.00 0.00 O ATOM 1131 CB ASP B 6 10.026 -7.854 1.598 1.00 0.00 C ATOM 1132 CG ASP B 6 8.982 -7.829 2.719 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.097 -8.668 2.695 1.00 0.00 O ATOM 1134 OD2 ASP B 6 9.086 -6.971 3.580 1.00 0.00 O ATOM 0 H ASP B 6 10.712 -7.649 -1.364 1.00 0.00 H new ATOM 0 HA ASP B 6 8.487 -8.630 0.294 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.687 -8.712 1.722 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.649 -6.961 1.648 1.00 0.00 H new ATOM 1139 N PRO B 7 7.992 -6.462 -1.183 1.00 0.00 N ATOM 1140 CA PRO B 7 7.431 -5.173 -1.634 1.00 0.00 C ATOM 1141 C PRO B 7 6.491 -4.599 -0.548 1.00 0.00 C ATOM 1142 O PRO B 7 6.139 -5.298 0.382 1.00 0.00 O ATOM 1143 CB PRO B 7 6.659 -5.511 -2.934 1.00 0.00 C ATOM 1144 CG PRO B 7 6.777 -7.048 -3.164 1.00 0.00 C ATOM 1145 CD PRO B 7 7.598 -7.633 -1.995 1.00 0.00 C ATOM 0 HA PRO B 7 8.195 -4.416 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.613 -5.216 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.075 -4.964 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.789 -7.506 -3.205 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.265 -7.256 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.006 -8.338 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.472 -8.174 -2.358 1.00 0.00 H new ATOM 1153 N PRO B 8 6.106 -3.345 -0.698 1.00 0.00 N ATOM 1154 CA PRO B 8 5.203 -2.688 0.271 1.00 0.00 C ATOM 1155 C PRO B 8 3.843 -3.403 0.291 1.00 0.00 C ATOM 1156 O PRO B 8 3.720 -4.539 -0.121 1.00 0.00 O ATOM 1157 CB PRO B 8 5.063 -1.234 -0.242 1.00 0.00 C ATOM 1158 CG PRO B 8 5.773 -1.158 -1.624 1.00 0.00 C ATOM 1159 CD PRO B 8 6.532 -2.487 -1.827 1.00 0.00 C ATOM 0 HA PRO B 8 5.585 -2.719 1.291 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.012 -0.959 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.515 -0.534 0.461 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.046 -1.006 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.462 -0.314 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.282 -2.942 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.611 -2.331 -1.820 1.00 0.00 H new ATOM 1167 N THR B 9 2.820 -2.738 0.764 1.00 0.00 N ATOM 1168 CA THR B 9 1.469 -3.370 0.810 1.00 0.00 C ATOM 1169 C THR B 9 0.394 -2.284 0.807 1.00 0.00 C ATOM 1170 O THR B 9 0.402 -1.383 1.623 1.00 0.00 O ATOM 1171 CB THR B 9 1.337 -4.205 2.083 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.488 -5.026 2.232 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.088 -5.082 1.992 1.00 0.00 C ATOM 0 H THR B 9 2.863 -1.783 1.121 1.00 0.00 H new ATOM 0 HA THR B 9 1.343 -4.011 -0.063 1.00 0.00 H new ATOM 0 HB THR B 9 1.250 -3.543 2.945 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.461 -5.471 3.105 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.006 -5.677 2.900 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.793 -4.450 1.880 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.171 -5.745 1.131 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.530 -2.367 -0.106 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.612 -1.348 -0.170 1.00 0.00 C ATOM 1183 C ALA B 10 -2.535 -1.499 1.039 1.00 0.00 C ATOM 1184 O ALA B 10 -3.588 -2.099 0.954 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.420 -1.557 -1.450 1.00 0.00 C ATOM 0 H ALA B 10 -0.583 -3.100 -0.814 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.173 -0.350 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.215 -0.813 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.765 -1.451 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.857 -2.556 -1.446 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.151 -0.948 2.162 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.002 -1.040 3.390 1.00 0.00 C ATOM 1193 C CYS B 11 -3.601 0.339 3.674 1.00 0.00 C ATOM 1194 O CYS B 11 -2.941 1.351 3.541 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.137 -1.477 4.576 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.233 -2.986 4.139 1.00 0.00 S ATOM 0 H CYS B 11 -1.278 -0.434 2.283 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.799 -1.768 3.240 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.437 -0.685 4.841 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.763 -1.655 5.450 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.849 0.391 4.052 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.484 1.708 4.333 1.00 0.00 C ATOM 1203 C CYS B 12 -4.973 2.251 5.668 1.00 0.00 C ATOM 1204 O CYS B 12 -4.735 1.510 6.600 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.005 1.542 4.400 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.630 1.039 2.777 1.00 0.00 S ATOM 0 H CYS B 12 -5.455 -0.420 4.178 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.229 2.406 3.536 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.267 0.796 5.150 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.471 2.479 4.706 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.812 3.546 5.766 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.324 4.159 7.040 1.00 0.00 C ATOM 1213 C PHE B 13 -5.514 4.788 7.766 1.00 0.00 C ATOM 1214 O PHE B 13 -5.473 5.038 8.955 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.297 5.248 6.717 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.971 6.361 5.950 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.249 6.203 4.580 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.327 7.553 6.609 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.883 7.236 3.866 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.962 8.588 5.896 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.239 8.430 4.525 1.00 0.00 C ATOM 0 H PHE B 13 -4.999 4.210 5.014 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.861 3.398 7.668 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.862 5.637 7.637 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.480 4.830 6.130 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.975 5.288 4.076 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.113 7.674 7.661 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.097 7.114 2.814 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.236 9.503 6.401 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.725 9.224 3.978 1.00 0.00 H new ATOM 1231 N SER B 14 -6.573 5.040 7.050 1.00 0.00 N ATOM 1232 CA SER B 14 -7.781 5.650 7.672 1.00 0.00 C ATOM 1233 C SER B 14 -9.001 5.303 6.820 1.00 0.00 C ATOM 1234 O SER B 14 -9.021 4.302 6.133 1.00 0.00 O ATOM 1235 CB SER B 14 -7.613 7.169 7.735 1.00 0.00 C ATOM 1236 OG SER B 14 -7.770 7.712 6.430 1.00 0.00 O ATOM 0 H SER B 14 -6.654 4.848 6.052 1.00 0.00 H new ATOM 0 HA SER B 14 -7.914 5.264 8.683 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.350 7.600 8.412 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.629 7.422 8.131 1.00 0.00 H new ATOM 0 HG SER B 14 -6.895 7.770 5.993 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.022 6.117 6.853 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.239 5.821 6.041 1.00 0.00 C ATOM 1244 C TYR B 15 -11.976 7.123 5.733 1.00 0.00 C ATOM 1245 O TYR B 15 -11.756 8.137 6.366 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.167 4.885 6.828 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.348 3.844 7.554 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.935 2.677 6.883 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.997 4.042 8.904 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.171 1.709 7.563 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.234 3.074 9.582 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.820 1.907 8.912 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.071 0.957 9.577 1.00 0.00 O ATOM 0 H TYR B 15 -10.067 6.973 7.406 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.943 5.340 5.109 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.757 5.459 7.542 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.870 4.400 6.150 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.204 2.524 5.848 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.314 4.937 9.418 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.854 0.814 7.049 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.966 3.226 10.617 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.916 1.249 10.499 1.00 0.00 H new ATOM 1263 N THR B 16 -12.857 7.103 4.769 1.00 0.00 N ATOM 1264 CA THR B 16 -13.614 8.342 4.436 1.00 0.00 C ATOM 1265 C THR B 16 -14.397 8.785 5.677 1.00 0.00 C ATOM 1266 O THR B 16 -14.057 8.430 6.787 1.00 0.00 O ATOM 1267 CB THR B 16 -14.558 8.068 3.257 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.377 9.203 3.024 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.438 6.854 3.560 1.00 0.00 C ATOM 0 H THR B 16 -13.084 6.287 4.201 1.00 0.00 H new ATOM 0 HA THR B 16 -12.931 9.139 4.143 1.00 0.00 H new ATOM 0 HB THR B 16 -13.962 7.863 2.368 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.977 9.024 2.270 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.104 6.668 2.717 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.808 5.980 3.724 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.030 7.048 4.454 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.435 9.561 5.510 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.222 10.025 6.694 1.00 0.00 C ATOM 1279 C ALA B 17 -17.702 10.094 6.323 1.00 0.00 C ATOM 1280 O ALA B 17 -18.510 10.633 7.053 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.738 11.416 7.103 1.00 0.00 C ATOM 0 H ALA B 17 -15.773 9.894 4.607 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.086 9.329 7.522 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.308 11.760 7.966 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.680 11.372 7.361 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.881 12.109 6.274 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.065 9.552 5.192 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.495 9.583 4.769 1.00 0.00 C ATOM 1289 C ARG B 18 -19.833 8.306 4.000 1.00 0.00 C ATOM 1290 O ARG B 18 -19.078 7.854 3.162 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.730 10.796 3.873 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.712 12.067 4.725 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.185 13.246 3.884 1.00 0.00 C ATOM 1294 NE ARG B 18 -21.660 13.159 3.691 1.00 0.00 N ATOM 1295 CZ ARG B 18 -22.326 14.198 3.269 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -21.701 15.315 3.015 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -23.618 14.121 3.104 1.00 0.00 N ATOM 0 H ARG B 18 -17.431 9.088 4.541 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.133 9.650 5.650 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.959 10.849 3.104 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.687 10.703 3.359 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.357 11.944 5.595 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.705 12.253 5.099 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -19.927 14.184 4.376 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.680 13.243 2.918 1.00 0.00 H new ATOM 0 HE ARG B 18 -22.149 12.286 3.889 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.691 15.376 3.146 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -22.222 16.127 2.685 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -24.107 13.249 3.305 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -24.139 14.933 2.774 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.970 7.727 4.270 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.367 6.485 3.551 1.00 0.00 C ATOM 1313 C LYS B 19 -21.525 6.814 2.063 1.00 0.00 C ATOM 1314 O LYS B 19 -22.213 7.743 1.692 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.696 5.978 4.141 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.255 4.787 3.337 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.719 4.537 3.723 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.869 4.486 5.247 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.908 5.873 5.790 1.00 0.00 N ATOM 0 H LYS B 19 -21.643 8.062 4.960 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.611 5.708 3.665 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.544 5.679 5.178 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.425 6.788 4.147 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.181 4.992 2.269 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.661 3.894 3.532 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.349 5.328 3.316 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.062 3.599 3.286 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.781 3.953 5.515 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.037 3.935 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.977 6.118 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.147 6.538 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.627 5.932 6.539 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.895 6.054 1.209 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.013 6.322 -0.252 1.00 0.00 C ATOM 1335 C LEU B 20 -22.412 5.877 -0.736 1.00 0.00 C ATOM 1336 O LEU B 20 -22.762 4.729 -0.540 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.966 5.498 -1.006 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.581 5.673 -0.375 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.539 5.021 -1.285 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.256 7.164 -0.220 1.00 0.00 C ATOM 0 H LEU B 20 -20.305 5.261 1.459 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.863 7.386 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.247 4.445 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.937 5.807 -2.051 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.569 5.204 0.609 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.548 5.139 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.764 3.960 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.561 5.499 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.269 7.277 0.229 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.265 7.642 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.002 7.634 0.420 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.185 6.751 -1.365 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.516 6.351 -1.859 1.00 0.00 C ATOM 1354 C PRO B 21 -24.378 5.138 -2.782 1.00 0.00 C ATOM 1355 O PRO B 21 -23.430 5.027 -3.531 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.042 7.578 -2.637 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.046 8.746 -2.389 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.829 8.164 -1.637 1.00 0.00 C ATOM 0 HA PRO B 21 -25.195 6.067 -1.055 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.115 7.355 -3.701 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.042 7.848 -2.298 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.736 9.193 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.518 9.535 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.923 8.234 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.640 8.708 -0.712 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.322 4.240 -2.751 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.238 3.061 -3.655 1.00 0.00 C ATOM 1368 C ARG B 22 -24.981 3.560 -5.078 1.00 0.00 C ATOM 1369 O ARG B 22 -24.288 2.934 -5.857 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.552 2.279 -3.608 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.596 1.430 -2.333 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.837 0.545 -2.357 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.633 -0.571 -3.323 1.00 0.00 N ATOM 1374 CZ ARG B 22 -28.423 -1.610 -3.297 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -29.392 -1.671 -2.426 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -28.242 -2.588 -4.142 1.00 0.00 N ATOM 0 H ARG B 22 -26.141 4.271 -2.144 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.428 2.403 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -27.398 2.966 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -26.639 1.640 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.699 0.815 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -26.612 2.074 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.032 0.147 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.710 1.132 -2.642 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.876 -0.523 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.533 -0.907 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -30.009 -2.483 -2.406 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.484 -2.540 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -28.859 -3.400 -4.122 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.535 4.696 -5.415 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.327 5.259 -6.780 1.00 0.00 C ATOM 1392 C ASN B 23 -23.903 5.808 -6.891 1.00 0.00 C ATOM 1393 O ASN B 23 -23.599 6.591 -7.768 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.331 6.388 -7.023 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.738 5.898 -6.682 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -27.902 4.675 -6.259 1.00 0.00 O flip ATOM 1397 ND2 ASN B 23 -28.697 6.634 -6.802 1.00 0.00 N flip ATOM 0 H ASN B 23 -26.124 5.259 -4.801 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.474 4.477 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.077 7.253 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.288 6.710 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -28.568 7.590 -7.133 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -29.631 6.296 -6.572 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.032 5.411 -6.001 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.624 5.915 -6.037 1.00 0.00 C ATOM 1406 C PHE B 24 -20.675 4.759 -5.706 1.00 0.00 C ATOM 1407 O PHE B 24 -19.588 4.957 -5.202 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.476 7.036 -4.993 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.296 7.925 -5.327 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.280 8.648 -6.538 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.219 8.045 -4.426 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.191 9.484 -6.845 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.130 8.882 -4.734 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.117 9.602 -5.943 1.00 0.00 C ATOM 0 H PHE B 24 -23.235 4.756 -5.246 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.381 6.306 -7.025 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.388 7.631 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.342 6.602 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.104 8.560 -7.230 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.229 7.494 -3.497 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.179 10.036 -7.773 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.305 8.972 -4.043 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.282 10.246 -6.179 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.086 3.551 -5.992 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.226 2.365 -5.704 1.00 0.00 C ATOM 1426 C VAL B 25 -20.525 1.276 -6.737 1.00 0.00 C ATOM 1427 O VAL B 25 -21.368 0.427 -6.530 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.539 1.831 -4.304 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.584 0.684 -3.968 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.364 2.948 -3.274 1.00 0.00 C ATOM 0 H VAL B 25 -21.988 3.334 -6.416 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.175 2.651 -5.754 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.568 1.472 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.808 0.305 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.707 -0.117 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.556 1.046 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.588 2.564 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.336 3.310 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.043 3.768 -3.507 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.846 1.299 -7.851 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.095 0.274 -8.901 1.00 0.00 C ATOM 1442 C VAL B 26 -19.292 -0.986 -8.591 1.00 0.00 C ATOM 1443 O VAL B 26 -19.490 -2.022 -9.196 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.665 0.829 -10.257 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.502 2.064 -10.593 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.182 1.213 -10.205 1.00 0.00 C ATOM 0 H VAL B 26 -19.127 1.986 -8.079 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.157 0.028 -8.923 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.816 0.070 -11.024 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.194 2.460 -11.561 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.556 1.790 -10.631 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.353 2.824 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.875 1.609 -11.173 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.029 1.972 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.586 0.332 -9.968 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.387 -0.913 -7.656 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.580 -2.118 -7.323 1.00 0.00 C ATOM 1458 C ASP B 27 -16.779 -1.856 -6.054 1.00 0.00 C ATOM 1459 O ASP B 27 -16.941 -0.843 -5.403 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.623 -2.422 -8.479 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.053 -3.832 -8.314 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.805 -4.777 -8.485 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.874 -3.942 -8.019 1.00 0.00 O ATOM 0 H ASP B 27 -18.172 -0.077 -7.112 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.242 -2.970 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.148 -2.340 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.814 -1.691 -8.497 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.909 -2.759 -5.695 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.096 -2.556 -4.468 1.00 0.00 C ATOM 1470 C TYR B 28 -13.811 -3.372 -4.553 1.00 0.00 C ATOM 1471 O TYR B 28 -13.518 -4.001 -5.551 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.899 -2.967 -3.226 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.007 -4.477 -3.128 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.671 -5.208 -4.133 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.450 -5.152 -2.023 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.778 -6.608 -4.034 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.557 -6.551 -1.922 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.221 -7.281 -2.927 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.327 -8.653 -2.829 1.00 0.00 O ATOM 0 H TYR B 28 -15.728 -3.627 -6.199 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.840 -1.500 -4.387 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.418 -2.574 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.896 -2.529 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.099 -4.693 -4.981 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.940 -4.594 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.287 -7.167 -4.806 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.130 -7.065 -1.074 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.889 -8.957 -2.007 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.041 -3.345 -3.513 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.758 -4.091 -3.504 1.00 0.00 C ATOM 1491 C TYR B 29 -11.304 -4.252 -2.047 1.00 0.00 C ATOM 1492 O TYR B 29 -11.435 -3.347 -1.253 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.736 -3.285 -4.324 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.325 -3.698 -3.977 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.851 -4.961 -4.367 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.489 -2.817 -3.264 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.537 -5.350 -4.043 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.174 -3.204 -2.940 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.698 -4.471 -3.329 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.410 -4.852 -3.011 1.00 0.00 O ATOM 0 H TYR B 29 -13.246 -2.832 -2.656 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.861 -5.082 -3.945 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.914 -3.440 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.866 -2.220 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.494 -5.634 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.856 -1.846 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.172 -6.322 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.531 -2.530 -2.394 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.967 -4.129 -2.519 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.778 -5.392 -1.682 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.326 -5.590 -0.266 1.00 0.00 C ATOM 1512 C GLU B 30 -8.819 -5.325 -0.170 1.00 0.00 C ATOM 1513 O GLU B 30 -8.095 -5.429 -1.139 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.624 -7.027 0.168 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.118 -7.174 0.468 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.458 -8.653 0.667 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.536 -9.450 0.715 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.633 -8.962 0.768 1.00 0.00 O ATOM 0 H GLU B 30 -10.641 -6.194 -2.298 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.857 -4.898 0.387 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.330 -7.723 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.039 -7.279 1.052 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.377 -6.607 1.362 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.706 -6.762 -0.352 1.00 0.00 H new ATOM 1525 N THR B 31 -8.349 -4.972 0.996 1.00 0.00 N ATOM 1526 CA THR B 31 -6.893 -4.684 1.172 1.00 0.00 C ATOM 1527 C THR B 31 -6.086 -5.982 1.157 1.00 0.00 C ATOM 1528 O THR B 31 -6.564 -7.026 0.757 1.00 0.00 O ATOM 1529 CB THR B 31 -6.684 -3.986 2.516 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.354 -4.724 3.521 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.245 -2.564 2.445 1.00 0.00 C ATOM 0 H THR B 31 -8.913 -4.870 1.840 1.00 0.00 H new ATOM 0 HA THR B 31 -6.556 -4.047 0.354 1.00 0.00 H new ATOM 0 HB THR B 31 -5.621 -3.933 2.751 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.401 -5.667 3.258 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.096 -2.066 3.403 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.729 -2.008 1.663 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.310 -2.604 2.219 1.00 0.00 H new ATOM 1539 N SER B 32 -4.858 -5.914 1.597 1.00 0.00 N ATOM 1540 CA SER B 32 -3.992 -7.124 1.625 1.00 0.00 C ATOM 1541 C SER B 32 -4.221 -7.889 2.927 1.00 0.00 C ATOM 1542 O SER B 32 -5.324 -7.976 3.429 1.00 0.00 O ATOM 1543 CB SER B 32 -2.529 -6.693 1.551 1.00 0.00 C ATOM 1544 OG SER B 32 -2.345 -5.843 0.427 1.00 0.00 O ATOM 0 H SER B 32 -4.415 -5.062 1.941 1.00 0.00 H new ATOM 0 HA SER B 32 -4.236 -7.765 0.778 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.245 -6.172 2.465 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.884 -7.568 1.469 1.00 0.00 H new ATOM 0 HG SER B 32 -1.580 -6.157 -0.099 1.00 0.00 H new ATOM 1550 N SER B 33 -3.176 -8.444 3.473 1.00 0.00 N ATOM 1551 CA SER B 33 -3.297 -9.215 4.747 1.00 0.00 C ATOM 1552 C SER B 33 -2.036 -8.993 5.577 1.00 0.00 C ATOM 1553 O SER B 33 -2.079 -8.911 6.788 1.00 0.00 O ATOM 1554 CB SER B 33 -3.421 -10.699 4.421 1.00 0.00 C ATOM 1555 OG SER B 33 -2.127 -11.232 4.168 1.00 0.00 O ATOM 0 H SER B 33 -2.232 -8.397 3.089 1.00 0.00 H new ATOM 0 HA SER B 33 -4.175 -8.884 5.302 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.889 -11.228 5.251 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.062 -10.840 3.551 1.00 0.00 H new ATOM 0 HG SER B 33 -2.201 -12.187 3.960 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.914 -8.906 4.916 1.00 0.00 N ATOM 1562 CA LEU B 34 0.385 -8.694 5.623 1.00 0.00 C ATOM 1563 C LEU B 34 0.209 -7.696 6.769 1.00 0.00 C ATOM 1564 O LEU B 34 0.503 -7.984 7.912 1.00 0.00 O ATOM 1565 CB LEU B 34 1.417 -8.141 4.638 1.00 0.00 C ATOM 1566 CG LEU B 34 1.331 -8.887 3.306 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.484 -8.444 2.402 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.422 -10.396 3.555 1.00 0.00 C ATOM 0 H LEU B 34 -0.840 -8.974 3.901 1.00 0.00 H new ATOM 0 HA LEU B 34 0.724 -9.648 6.026 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.244 -7.077 4.479 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.419 -8.242 5.055 1.00 0.00 H new ATOM 0 HG LEU B 34 0.381 -8.660 2.822 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.425 -8.974 1.451 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.415 -7.371 2.224 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.434 -8.671 2.886 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.360 -10.926 2.604 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.370 -10.628 4.039 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.600 -10.709 4.199 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.264 -6.522 6.466 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.455 -5.503 7.533 1.00 0.00 C ATOM 1582 C CYS B 35 -1.606 -5.937 8.446 1.00 0.00 C ATOM 1583 O CYS B 35 -2.670 -6.299 7.993 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.765 -4.142 6.896 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.868 -4.362 5.478 1.00 0.00 S ATOM 0 H CYS B 35 -0.527 -6.224 5.527 1.00 0.00 H new ATOM 0 HA CYS B 35 0.456 -5.413 8.125 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.230 -3.484 7.631 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.160 -3.661 6.577 1.00 0.00 H new ATOM 1590 N SER B 36 -1.384 -5.927 9.730 1.00 0.00 N ATOM 1591 CA SER B 36 -2.448 -6.352 10.687 1.00 0.00 C ATOM 1592 C SER B 36 -3.634 -5.374 10.672 1.00 0.00 C ATOM 1593 O SER B 36 -4.276 -5.176 11.685 1.00 0.00 O ATOM 1594 CB SER B 36 -1.861 -6.408 12.096 1.00 0.00 C ATOM 1595 OG SER B 36 -0.700 -7.228 12.089 1.00 0.00 O ATOM 0 H SER B 36 -0.506 -5.641 10.163 1.00 0.00 H new ATOM 0 HA SER B 36 -2.810 -7.335 10.385 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.609 -5.404 12.438 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.598 -6.807 12.794 1.00 0.00 H new ATOM 0 HG SER B 36 -0.320 -7.265 12.992 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.946 -4.754 9.559 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.101 -3.801 9.557 1.00 0.00 C ATOM 1603 C GLN B 37 -5.716 -3.678 8.155 1.00 0.00 C ATOM 1604 O GLN B 37 -5.691 -2.611 7.577 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.615 -2.423 10.016 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.322 -2.060 9.281 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.888 -0.649 9.680 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.868 -0.313 10.847 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.535 0.198 8.752 1.00 0.00 N ATOM 0 H GLN B 37 -3.462 -4.863 8.668 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.864 -4.182 10.236 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.380 -1.672 9.818 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.444 -2.427 11.092 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.538 -2.776 9.527 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.476 -2.114 8.203 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -2.551 -0.083 7.772 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.243 1.141 9.007 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.276 -4.756 7.651 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.922 -4.739 6.324 1.00 0.00 C ATOM 1620 C PRO B 38 -8.181 -3.859 6.394 1.00 0.00 C ATOM 1621 O PRO B 38 -8.533 -3.340 7.434 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.286 -6.216 6.043 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.002 -7.021 7.345 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.309 -6.064 8.342 1.00 0.00 C ATOM 0 HA PRO B 38 -6.286 -4.333 5.537 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.334 -6.305 5.757 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.695 -6.606 5.214 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.930 -7.408 7.767 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.366 -7.880 7.133 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.861 -6.002 9.280 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.304 -6.408 8.586 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.855 -3.697 5.295 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.087 -2.871 5.273 1.00 0.00 C ATOM 1634 C ALA B 39 -10.777 -3.088 3.931 1.00 0.00 C ATOM 1635 O ALA B 39 -10.207 -3.665 3.026 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.719 -1.394 5.425 1.00 0.00 C ATOM 0 H ALA B 39 -8.600 -4.109 4.397 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.748 -3.156 6.092 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.626 -0.790 5.408 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.200 -1.244 6.372 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.068 -1.095 4.603 1.00 0.00 H new ATOM 1642 N VAL B 40 -11.984 -2.616 3.776 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.685 -2.783 2.468 1.00 0.00 C ATOM 1644 C VAL B 40 -12.502 -1.488 1.679 1.00 0.00 C ATOM 1645 O VAL B 40 -12.459 -0.411 2.239 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.177 -3.057 2.703 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.960 -2.827 1.406 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.356 -4.512 3.141 1.00 0.00 C ATOM 0 H VAL B 40 -12.515 -2.124 4.495 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.272 -3.626 1.915 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.549 -2.383 3.475 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.018 -3.023 1.580 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.831 -1.794 1.081 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.589 -3.499 0.633 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.414 -4.714 3.310 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.980 -5.175 2.362 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.802 -4.685 4.064 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.373 -1.596 0.386 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.165 -0.385 -0.470 1.00 0.00 C ATOM 1660 C VAL B 41 -13.297 -0.281 -1.494 1.00 0.00 C ATOM 1661 O VAL B 41 -13.464 -1.134 -2.337 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.819 -0.526 -1.186 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.363 0.826 -1.725 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.777 -1.044 -0.192 1.00 0.00 C ATOM 0 H VAL B 41 -12.403 -2.479 -0.123 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.165 0.517 0.142 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.929 -1.223 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.405 0.711 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.103 1.205 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.255 1.529 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.815 -1.147 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.681 -0.340 0.635 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.092 -2.014 0.192 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.088 0.758 -1.424 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.216 0.902 -2.391 1.00 0.00 C ATOM 1676 C PHE B 42 -14.756 1.668 -3.632 1.00 0.00 C ATOM 1677 O PHE B 42 -14.113 2.696 -3.544 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.367 1.673 -1.731 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.109 0.775 -0.763 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.790 -0.366 -1.237 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.130 1.084 0.611 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.487 -1.195 -0.337 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.828 0.256 1.509 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.506 -0.884 1.034 1.00 0.00 C ATOM 0 H PHE B 42 -14.002 1.511 -0.741 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.552 -0.093 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.977 2.544 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.052 2.042 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.777 -0.604 -2.290 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.610 1.957 0.976 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.007 -2.069 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.844 0.494 2.562 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.041 -1.520 1.724 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.110 1.182 -4.793 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.737 1.874 -6.059 1.00 0.00 C ATOM 1696 C GLN B 43 -15.946 2.709 -6.491 1.00 0.00 C ATOM 1697 O GLN B 43 -17.034 2.182 -6.654 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.405 0.821 -7.117 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.188 0.008 -6.665 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.081 -1.266 -7.505 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.674 -2.299 -7.014 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.433 -1.235 -8.761 1.00 0.00 N ATOM 0 H GLN B 43 -15.648 0.325 -4.918 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.867 2.517 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.260 0.162 -7.270 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.199 1.303 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.281 0.603 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.280 -0.247 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.775 -0.367 -9.174 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.366 -2.079 -9.330 1.00 0.00 H new ATOM 1711 N THR B 44 -15.794 4.012 -6.630 1.00 0.00 N ATOM 1712 CA THR B 44 -16.982 4.863 -6.992 1.00 0.00 C ATOM 1713 C THR B 44 -17.017 5.188 -8.484 1.00 0.00 C ATOM 1714 O THR B 44 -16.468 4.483 -9.307 1.00 0.00 O ATOM 1715 CB THR B 44 -16.922 6.174 -6.212 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.051 7.071 -6.880 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.398 5.902 -4.801 1.00 0.00 C ATOM 0 H THR B 44 -14.915 4.515 -6.511 1.00 0.00 H new ATOM 0 HA THR B 44 -17.880 4.299 -6.741 1.00 0.00 H new ATOM 0 HB THR B 44 -17.918 6.612 -6.147 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.402 7.983 -6.808 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.354 6.837 -4.243 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.066 5.206 -4.293 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.400 5.468 -4.861 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.689 6.264 -8.825 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.817 6.685 -10.254 1.00 0.00 C ATOM 1727 C LYS B 45 -17.085 8.013 -10.477 1.00 0.00 C ATOM 1728 O LYS B 45 -16.645 8.303 -11.572 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.303 6.881 -10.586 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.129 5.723 -10.021 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.605 5.950 -10.354 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.424 4.720 -9.956 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.865 5.091 -9.863 1.00 0.00 N ATOM 0 H LYS B 45 -18.161 6.877 -8.160 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.381 5.918 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.655 7.825 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.437 6.940 -11.666 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.789 4.778 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.993 5.656 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.975 6.830 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.720 6.145 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.289 3.926 -10.691 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.075 4.332 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.403 4.296 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.970 5.924 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.228 5.313 -10.812 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.962 8.828 -9.451 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.268 10.153 -9.600 1.00 0.00 C ATOM 1749 C ARG B 46 -15.082 10.194 -8.634 1.00 0.00 C ATOM 1750 O ARG B 46 -14.872 11.148 -7.919 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.264 11.289 -9.279 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.821 12.628 -9.921 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.769 13.351 -9.061 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.873 14.829 -9.288 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.862 15.335 -10.493 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -15.555 14.592 -11.521 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -16.098 16.607 -10.662 1.00 0.00 N ATOM 0 H ARG B 46 -17.314 8.632 -8.514 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.907 10.283 -10.620 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.255 11.019 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.344 11.411 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.412 12.438 -10.913 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.689 13.273 -10.053 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.925 13.122 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.769 13.001 -9.319 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.954 15.453 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -15.321 13.608 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -15.549 14.995 -12.458 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.290 17.202 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -16.091 17.007 -11.600 1.00 0.00 H new ATOM 1771 N SER B 47 -14.300 9.159 -8.617 1.00 0.00 N ATOM 1772 CA SER B 47 -13.121 9.126 -7.725 1.00 0.00 C ATOM 1773 C SER B 47 -12.245 7.957 -8.150 1.00 0.00 C ATOM 1774 O SER B 47 -11.784 7.888 -9.272 1.00 0.00 O ATOM 1775 CB SER B 47 -13.559 8.975 -6.261 1.00 0.00 C ATOM 1776 OG SER B 47 -14.001 7.648 -6.025 1.00 0.00 O ATOM 0 H SER B 47 -14.430 8.325 -9.190 1.00 0.00 H new ATOM 0 HA SER B 47 -12.562 10.058 -7.803 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.728 9.215 -5.597 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.360 9.680 -6.037 1.00 0.00 H new ATOM 0 HG SER B 47 -14.920 7.547 -6.349 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.023 7.033 -7.278 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.193 5.862 -7.633 1.00 0.00 C ATOM 1784 C LYS B 48 -11.452 4.770 -6.609 1.00 0.00 C ATOM 1785 O LYS B 48 -12.289 3.911 -6.793 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.713 6.253 -7.616 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.855 5.009 -7.852 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.427 5.432 -8.206 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.585 4.191 -8.507 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.158 4.588 -8.676 1.00 0.00 N ATOM 0 H LYS B 48 -12.383 7.036 -6.324 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.447 5.507 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.513 6.997 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.457 6.708 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.849 4.384 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.278 4.410 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.437 6.096 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.987 5.991 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.679 3.469 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.948 3.703 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -4.585 3.745 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.076 5.262 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -4.816 5.035 -7.801 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.736 4.821 -5.518 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.899 3.813 -4.435 1.00 0.00 C ATOM 1806 C GLN B 49 -11.082 4.553 -3.101 1.00 0.00 C ATOM 1807 O GLN B 49 -10.487 5.590 -2.868 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.630 2.942 -4.386 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.800 1.705 -5.277 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.449 1.005 -5.440 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.083 0.107 -4.566 1.00 0.00 O flip ATOM 1812 NE2 GLN B 49 -7.719 1.277 -6.372 1.00 0.00 N flip ATOM 0 H GLN B 49 -10.031 5.534 -5.330 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.767 3.180 -4.619 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.769 3.522 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.431 2.635 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.525 1.022 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.191 1.997 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.004 1.978 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.821 0.804 -6.471 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.898 4.024 -2.225 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.124 4.681 -0.900 1.00 0.00 C ATOM 1823 C VAL B 50 -12.115 3.619 0.191 1.00 0.00 C ATOM 1824 O VAL B 50 -12.878 2.677 0.156 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.479 5.397 -0.901 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.587 6.277 0.346 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.598 6.264 -2.160 1.00 0.00 C ATOM 0 H VAL B 50 -12.421 3.160 -2.371 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.334 5.409 -0.716 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.283 4.661 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.550 6.788 0.348 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.503 5.656 1.238 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.785 7.015 0.341 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.562 6.773 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.797 7.003 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.520 5.633 -3.045 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.258 3.763 1.162 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.193 2.758 2.254 1.00 0.00 C ATOM 1839 C CYS B 51 -12.420 2.912 3.150 1.00 0.00 C ATOM 1840 O CYS B 51 -12.975 3.985 3.281 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.925 2.992 3.074 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.472 2.717 2.030 1.00 0.00 S ATOM 0 H CYS B 51 -10.598 4.537 1.245 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.174 1.752 1.834 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.916 4.008 3.468 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.903 2.318 3.931 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.856 1.840 3.759 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.060 1.912 4.641 1.00 0.00 C ATOM 1849 C ALA B 52 -13.859 1.006 5.857 1.00 0.00 C ATOM 1850 O ALA B 52 -13.406 -0.118 5.740 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.287 1.440 3.858 1.00 0.00 C ATOM 0 H ALA B 52 -12.430 0.916 3.684 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.207 2.940 4.974 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.168 1.491 4.497 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.432 2.081 2.988 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.136 0.412 3.530 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.189 1.490 7.023 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.018 0.668 8.254 1.00 0.00 C ATOM 1859 C ASP B 53 -15.022 -0.512 8.231 1.00 0.00 C ATOM 1860 O ASP B 53 -16.213 -0.269 8.246 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.316 1.543 9.474 1.00 0.00 C ATOM 1862 CG ASP B 53 -15.618 2.311 9.245 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -16.219 2.121 8.201 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -15.992 3.078 10.118 1.00 0.00 O ATOM 0 H ASP B 53 -14.571 2.423 7.176 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.999 0.283 8.301 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -14.399 0.924 10.367 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -13.495 2.240 9.644 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.556 -1.756 8.199 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.485 -2.907 8.178 1.00 0.00 C ATOM 1871 C PRO B 54 -16.350 -2.911 9.448 1.00 0.00 C ATOM 1872 O PRO B 54 -17.252 -3.712 9.595 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.576 -4.157 8.125 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.100 -3.668 8.109 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.120 -2.125 8.177 1.00 0.00 C ATOM 0 HA PRO B 54 -16.171 -2.873 7.331 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.757 -4.798 8.988 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.792 -4.750 7.236 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.550 -4.082 8.954 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.594 -4.005 7.204 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.607 -1.763 9.068 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.614 -1.686 7.317 1.00 0.00 H new ATOM 1883 N SER B 55 -16.068 -2.035 10.369 1.00 0.00 N ATOM 1884 CA SER B 55 -16.858 -2.001 11.634 1.00 0.00 C ATOM 1885 C SER B 55 -18.217 -1.340 11.388 1.00 0.00 C ATOM 1886 O SER B 55 -19.144 -1.513 12.155 1.00 0.00 O ATOM 1887 CB SER B 55 -16.090 -1.202 12.688 1.00 0.00 C ATOM 1888 OG SER B 55 -16.963 -0.884 13.764 1.00 0.00 O ATOM 0 H SER B 55 -15.325 -1.340 10.303 1.00 0.00 H new ATOM 0 HA SER B 55 -17.016 -3.021 11.984 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.241 -1.780 13.052 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.689 -0.289 12.248 1.00 0.00 H new ATOM 0 HG SER B 55 -16.474 -0.373 14.442 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.351 -0.589 10.330 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.660 0.071 10.049 1.00 0.00 C ATOM 1896 C GLU B 56 -20.597 -0.935 9.371 1.00 0.00 C ATOM 1897 O GLU B 56 -20.313 -1.458 8.310 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.439 1.282 9.140 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.946 2.472 9.970 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.110 3.054 10.772 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.214 3.071 10.251 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.880 3.472 11.894 1.00 0.00 O ATOM 0 H GLU B 56 -17.614 -0.403 9.649 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.111 0.409 10.982 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.710 1.039 8.367 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.368 1.541 8.632 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.150 2.154 10.643 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.524 3.235 9.316 1.00 0.00 H new ATOM 1909 N SER B 57 -21.703 -1.214 9.996 1.00 0.00 N ATOM 1910 CA SER B 57 -22.677 -2.195 9.437 1.00 0.00 C ATOM 1911 C SER B 57 -23.007 -1.890 7.973 1.00 0.00 C ATOM 1912 O SER B 57 -23.151 -2.790 7.170 1.00 0.00 O ATOM 1913 CB SER B 57 -23.964 -2.146 10.261 1.00 0.00 C ATOM 1914 OG SER B 57 -24.603 -0.893 10.061 1.00 0.00 O ATOM 0 H SER B 57 -21.980 -0.798 10.885 1.00 0.00 H new ATOM 0 HA SER B 57 -22.226 -3.186 9.484 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.629 -2.957 9.966 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.738 -2.287 11.318 1.00 0.00 H new ATOM 0 HG SER B 57 -25.429 -0.860 10.587 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.157 -0.645 7.611 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.507 -0.342 6.194 1.00 0.00 C ATOM 1922 C TRP B 58 -22.411 -0.862 5.270 1.00 0.00 C ATOM 1923 O TRP B 58 -22.667 -1.251 4.150 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.739 1.164 5.999 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.450 1.924 5.950 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.975 2.702 6.950 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.487 2.030 4.857 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.785 3.279 6.546 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.436 2.894 5.270 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.417 1.468 3.561 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.354 3.189 4.430 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.330 1.763 2.711 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.300 2.621 3.147 1.00 0.00 C ATOM 0 H TRP B 58 -23.054 0.164 8.224 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.439 -0.848 5.941 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.294 1.330 5.075 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.355 1.545 6.814 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.449 2.849 7.909 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.232 3.913 7.123 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.201 0.808 3.220 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.568 3.848 4.767 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.287 1.330 1.723 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.469 2.842 2.494 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.196 -0.902 5.732 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.105 -1.424 4.870 1.00 0.00 C ATOM 1946 C VAL B 59 -20.354 -2.904 4.621 1.00 0.00 C ATOM 1947 O VAL B 59 -20.283 -3.379 3.506 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.766 -1.230 5.576 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.638 -1.816 4.723 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.541 0.266 5.781 1.00 0.00 C ATOM 0 H VAL B 59 -20.912 -0.598 6.663 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.082 -0.890 3.920 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.773 -1.741 6.539 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.685 -1.674 5.233 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.813 -2.881 4.570 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.612 -1.311 3.758 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.588 0.425 6.285 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.528 0.768 4.814 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.346 0.675 6.391 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.667 -3.637 5.648 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.944 -5.087 5.459 1.00 0.00 C ATOM 1962 C GLN B 60 -22.193 -5.246 4.588 1.00 0.00 C ATOM 1963 O GLN B 60 -22.281 -6.131 3.760 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.177 -5.749 6.818 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.015 -5.415 7.756 1.00 0.00 C ATOM 1966 CD GLN B 60 -20.231 -6.108 9.103 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -20.560 -5.469 10.083 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.058 -7.398 9.194 1.00 0.00 N ATOM 0 H GLN B 60 -20.743 -3.298 6.607 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.093 -5.563 4.973 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.116 -5.401 7.248 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.262 -6.829 6.698 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.073 -5.740 7.315 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -19.946 -4.336 7.897 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.782 -7.935 8.372 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.199 -7.870 10.087 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.163 -4.391 4.774 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.415 -4.482 3.966 1.00 0.00 C ATOM 1979 C GLU B 61 -24.112 -4.191 2.493 1.00 0.00 C ATOM 1980 O GLU B 61 -24.517 -4.921 1.610 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.430 -3.463 4.488 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.790 -3.716 3.832 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.788 -2.657 4.303 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.020 -2.579 5.499 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.305 -1.941 3.461 1.00 0.00 O ATOM 0 H GLU B 61 -23.142 -3.630 5.453 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.825 -5.488 4.053 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.517 -3.542 5.572 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.091 -2.451 4.268 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.694 -3.683 2.747 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.151 -4.712 4.090 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.407 -3.128 2.221 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.085 -2.787 0.805 1.00 0.00 C ATOM 1994 C TYR B 62 -22.248 -3.911 0.185 1.00 0.00 C ATOM 1995 O TYR B 62 -22.390 -4.230 -0.979 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.296 -1.465 0.751 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.238 -0.274 0.813 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.234 -0.193 1.810 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.113 0.764 -0.134 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.098 0.919 1.855 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.978 1.873 -0.087 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.970 1.951 0.907 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.817 3.039 0.953 1.00 0.00 O ATOM 0 H TYR B 62 -23.039 -2.480 2.918 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.012 -2.673 0.244 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.592 -1.422 1.582 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.709 -1.423 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.334 -0.984 2.539 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.351 0.707 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.860 0.979 2.618 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.880 2.665 -0.815 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.593 3.659 0.228 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.389 -4.522 0.950 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.565 -5.628 0.396 1.00 0.00 C ATOM 2015 C VAL B 63 -21.497 -6.776 0.039 1.00 0.00 C ATOM 2016 O VAL B 63 -21.348 -7.424 -0.976 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.551 -6.084 1.448 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.876 -7.383 0.992 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.486 -4.998 1.631 1.00 0.00 C ATOM 0 H VAL B 63 -21.223 -4.304 1.932 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.023 -5.297 -0.490 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.067 -6.258 2.392 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.155 -7.702 1.745 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.631 -8.158 0.860 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.361 -7.213 0.046 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.763 -5.320 2.380 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.975 -4.826 0.684 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.961 -4.074 1.960 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.464 -7.023 0.873 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.420 -8.123 0.597 1.00 0.00 C ATOM 2031 C TYR B 64 -24.180 -7.812 -0.689 1.00 0.00 C ATOM 2032 O TYR B 64 -24.384 -8.665 -1.529 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.407 -8.235 1.764 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.079 -9.589 1.739 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.360 -10.739 2.117 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.426 -9.702 1.341 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.986 -12.000 2.094 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.052 -10.963 1.319 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.332 -12.113 1.696 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.945 -13.349 1.675 1.00 0.00 O ATOM 0 H TYR B 64 -22.633 -6.508 1.737 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.883 -9.065 0.484 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.883 -8.096 2.710 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.156 -7.446 1.696 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.328 -10.654 2.425 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.979 -8.820 1.052 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.433 -12.882 2.382 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.084 -11.048 1.013 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.873 -13.249 1.378 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.597 -6.592 -0.843 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.351 -6.201 -2.068 1.00 0.00 C ATOM 2052 C ASP B 65 -24.471 -6.421 -3.301 1.00 0.00 C ATOM 2053 O ASP B 65 -24.945 -6.780 -4.361 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.737 -4.722 -1.966 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.962 -4.566 -1.062 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -28.066 -4.698 -1.565 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.776 -4.316 0.118 1.00 0.00 O ATOM 0 H ASP B 65 -24.449 -5.840 -0.170 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.251 -6.809 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.903 -4.146 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.953 -4.324 -2.958 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.194 -6.205 -3.168 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.275 -6.397 -4.324 1.00 0.00 C ATOM 2064 C LEU B 66 -22.118 -7.894 -4.610 1.00 0.00 C ATOM 2065 O LEU B 66 -21.908 -8.302 -5.735 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.914 -5.779 -3.976 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.951 -4.251 -4.196 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.852 -3.581 -3.367 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.711 -3.919 -5.678 1.00 0.00 C ATOM 0 H LEU B 66 -22.744 -5.902 -2.304 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.680 -5.912 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.661 -5.998 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.135 -6.224 -4.595 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.931 -3.884 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.882 -2.503 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.011 -3.797 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.879 -3.966 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.740 -2.838 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.736 -4.298 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.487 -4.384 -6.285 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.226 -8.713 -3.604 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.092 -10.182 -3.821 1.00 0.00 C ATOM 2083 C GLU B 67 -23.343 -10.700 -4.525 1.00 0.00 C ATOM 2084 O GLU B 67 -23.303 -11.668 -5.260 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.945 -10.887 -2.471 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.576 -10.567 -1.877 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.331 -11.448 -0.649 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.224 -12.202 -0.299 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.256 -11.353 -0.082 1.00 0.00 O ATOM 0 H GLU B 67 -22.401 -8.431 -2.640 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.213 -10.382 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.733 -10.563 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.056 -11.964 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.797 -10.737 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.526 -9.515 -1.598 1.00 0.00 H new