USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 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 150:sc= 1.56 USER MOD Set 1.2: B 47 SER OG : rot -81:sc= 0.211! USER MOD Set 2.1: A 44 THR OG1 : rot 149:sc= 1.6 USER MOD Set 2.2: A 47 SER OG : rot -81:sc= 0.402! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.248 USER MOD Single : A 14 SER OG : rot -77:sc= 1.46 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.266! USER MOD Single : A 19 LYS NZ :NH3+ 136:sc= -1.23 (180deg=-3.2!) USER MOD Single : A 23 ASN : amide:sc= -0.972 X(o=-0.97,f=-0.93) 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 43:sc= -1.33! USER MOD Single : A 32 SER OG : rot -120:sc= -0.249 USER MOD Single : A 33 SER OG : rot 180:sc= -0.128 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) USER MOD Single : A 43 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.2!) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -5.36! (180deg=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.82) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.262 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 167:sc= -0.39 USER MOD Single : B 14 SER OG : rot -91:sc= 1.51 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.348! USER MOD Single : B 19 LYS NZ :NH3+ 137:sc= -1.16 (180deg=-3.17!) USER MOD Single : B 23 ASN : amide:sc= -1.04! C(o=-1!,f=-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 29:sc= -1.38! USER MOD Single : B 32 SER OG : rot -120:sc= -0.251 USER MOD Single : B 33 SER OG : rot 180:sc= -0.118 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc=-0.00969 X(o=-0.0097,f=0) USER MOD Single : B 43 GLN : amide:sc= -1.79 K(o=-1.8,f=-4.1!) USER MOD Single : B 45 LYS NZ :NH3+ 139:sc= -5.77! (180deg=-6.08!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.92) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.253 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.086 9.295 -3.956 1.00 0.00 N ATOM 52 CA SER A 5 -11.619 9.744 -2.634 1.00 0.00 C ATOM 53 C SER A 5 -10.618 9.402 -1.515 1.00 0.00 C ATOM 54 O SER A 5 -10.053 10.278 -0.892 1.00 0.00 O ATOM 55 CB SER A 5 -12.979 9.075 -2.381 1.00 0.00 C ATOM 56 OG SER A 5 -13.956 10.083 -2.156 1.00 0.00 O ATOM 0 HA SER A 5 -11.756 10.825 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.261 8.461 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.917 8.411 -1.519 1.00 0.00 H new ATOM 0 HG SER A 5 -14.827 9.664 -1.995 1.00 0.00 H new ATOM 62 N ASP A 6 -10.394 8.137 -1.251 1.00 0.00 N ATOM 63 CA ASP A 6 -9.428 7.762 -0.168 1.00 0.00 C ATOM 64 C ASP A 6 -8.902 6.337 -0.405 1.00 0.00 C ATOM 65 O ASP A 6 -9.227 5.435 0.342 1.00 0.00 O ATOM 66 CB ASP A 6 -10.133 7.820 1.201 1.00 0.00 C ATOM 67 CG ASP A 6 -9.085 7.923 2.314 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.234 8.793 2.220 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.153 7.132 3.240 1.00 0.00 O ATOM 0 H ASP A 6 -10.834 7.353 -1.733 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.594 8.464 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.805 8.678 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.745 6.929 1.345 1.00 0.00 H new ATOM 74 N PRO A 7 -8.105 6.163 -1.436 1.00 0.00 N ATOM 75 CA PRO A 7 -7.545 4.838 -1.754 1.00 0.00 C ATOM 76 C PRO A 7 -6.601 4.387 -0.616 1.00 0.00 C ATOM 77 O PRO A 7 -6.266 5.180 0.243 1.00 0.00 O ATOM 78 CB PRO A 7 -6.778 5.041 -3.084 1.00 0.00 C ATOM 79 CG PRO A 7 -6.892 6.546 -3.467 1.00 0.00 C ATOM 80 CD PRO A 7 -7.707 7.249 -2.358 1.00 0.00 C ATOM 0 HA PRO A 7 -8.306 4.064 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.733 4.752 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.199 4.413 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.903 6.994 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.383 6.659 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.110 8.004 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.579 7.758 -2.770 1.00 0.00 H new ATOM 88 N PRO A 8 -6.194 3.133 -0.639 1.00 0.00 N ATOM 89 CA PRO A 8 -5.288 2.594 0.397 1.00 0.00 C ATOM 90 C PRO A 8 -3.942 3.336 0.354 1.00 0.00 C ATOM 91 O PRO A 8 -3.842 4.435 -0.155 1.00 0.00 O ATOM 92 CB PRO A 8 -5.116 1.099 0.035 1.00 0.00 C ATOM 93 CG PRO A 8 -5.832 0.865 -1.327 1.00 0.00 C ATOM 94 CD PRO A 8 -6.598 2.160 -1.676 1.00 0.00 C ATOM 0 HA PRO A 8 -5.680 2.718 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.060 0.841 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.547 0.464 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.107 0.626 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.517 0.020 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.339 2.515 -2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.676 1.996 -1.666 1.00 0.00 H new ATOM 102 N THR A 9 -2.907 2.737 0.886 1.00 0.00 N ATOM 103 CA THR A 9 -1.568 3.398 0.878 1.00 0.00 C ATOM 104 C THR A 9 -0.471 2.334 0.905 1.00 0.00 C ATOM 105 O THR A 9 -0.468 1.447 1.736 1.00 0.00 O ATOM 106 CB THR A 9 -1.431 4.289 2.112 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.594 5.095 2.242 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.198 5.184 1.965 1.00 0.00 C ATOM 0 H THR A 9 -2.932 1.817 1.326 1.00 0.00 H new ATOM 0 HA THR A 9 -1.471 4.002 -0.024 1.00 0.00 H new ATOM 0 HB THR A 9 -1.319 3.667 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.584 5.546 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.102 5.819 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.692 4.563 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.305 5.808 1.078 1.00 0.00 H new ATOM 116 N ALA A 10 0.458 2.420 -0.001 1.00 0.00 N ATOM 117 CA ALA A 10 1.562 1.423 -0.041 1.00 0.00 C ATOM 118 C ALA A 10 2.471 1.612 1.173 1.00 0.00 C ATOM 119 O ALA A 10 3.514 2.231 1.087 1.00 0.00 O ATOM 120 CB ALA A 10 2.372 1.629 -1.321 1.00 0.00 C ATOM 0 H ALA A 10 0.501 3.142 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 10 1.147 0.415 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.184 0.902 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.724 1.495 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.787 2.637 -1.331 1.00 0.00 H new ATOM 126 N CYS A 11 2.089 1.073 2.304 1.00 0.00 N ATOM 127 CA CYS A 11 2.928 1.201 3.538 1.00 0.00 C ATOM 128 C CYS A 11 3.549 -0.161 3.851 1.00 0.00 C ATOM 129 O CYS A 11 2.892 -1.181 3.790 1.00 0.00 O ATOM 130 CB CYS A 11 2.047 1.643 4.710 1.00 0.00 C ATOM 131 SG CYS A 11 1.229 3.206 4.297 1.00 0.00 S ATOM 0 H CYS A 11 1.225 0.545 2.427 1.00 0.00 H new ATOM 0 HA CYS A 11 3.713 1.941 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.302 0.877 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.652 1.764 5.608 1.00 0.00 H new ATOM 136 N CYS A 12 4.812 -0.189 4.176 1.00 0.00 N ATOM 137 CA CYS A 12 5.472 -1.489 4.481 1.00 0.00 C ATOM 138 C CYS A 12 4.962 -2.021 5.822 1.00 0.00 C ATOM 139 O CYS A 12 4.793 -1.280 6.771 1.00 0.00 O ATOM 140 CB CYS A 12 6.989 -1.291 4.554 1.00 0.00 C ATOM 141 SG CYS A 12 7.609 -0.762 2.937 1.00 0.00 S ATOM 0 H CYS A 12 5.415 0.631 4.243 1.00 0.00 H new ATOM 0 HA CYS A 12 5.238 -2.205 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.233 -0.545 5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.473 -2.220 4.855 1.00 0.00 H new ATOM 146 N PHE A 13 4.724 -3.305 5.908 1.00 0.00 N ATOM 147 CA PHE A 13 4.231 -3.907 7.186 1.00 0.00 C ATOM 148 C PHE A 13 5.407 -4.592 7.886 1.00 0.00 C ATOM 149 O PHE A 13 5.373 -4.866 9.069 1.00 0.00 O ATOM 150 CB PHE A 13 3.148 -4.945 6.871 1.00 0.00 C ATOM 151 CG PHE A 13 3.770 -6.124 6.160 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.080 -6.036 4.790 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.053 -7.305 6.872 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.669 -7.129 4.131 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.645 -8.399 6.214 1.00 0.00 C ATOM 156 CZ PHE A 13 4.953 -8.312 4.842 1.00 0.00 C ATOM 0 H PHE A 13 4.851 -3.968 5.143 1.00 0.00 H new ATOM 0 HA PHE A 13 3.812 -3.134 7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.667 -5.275 7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.372 -4.499 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.865 -5.129 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.816 -7.371 7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.904 -7.062 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.863 -9.305 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.406 -9.151 4.336 1.00 0.00 H new ATOM 166 N SER A 14 6.447 -4.868 7.149 1.00 0.00 N ATOM 167 CA SER A 14 7.641 -5.534 7.738 1.00 0.00 C ATOM 168 C SER A 14 8.861 -5.191 6.884 1.00 0.00 C ATOM 169 O SER A 14 8.891 -4.177 6.215 1.00 0.00 O ATOM 170 CB SER A 14 7.431 -7.048 7.747 1.00 0.00 C ATOM 171 OG SER A 14 7.255 -7.506 6.412 1.00 0.00 O ATOM 0 H SER A 14 6.521 -4.658 6.154 1.00 0.00 H new ATOM 0 HA SER A 14 7.793 -5.190 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.288 -7.543 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.559 -7.302 8.349 1.00 0.00 H new ATOM 0 HG SER A 14 6.347 -7.294 6.111 1.00 0.00 H new ATOM 177 N TYR A 15 9.872 -6.017 6.899 1.00 0.00 N ATOM 178 CA TYR A 15 11.086 -5.718 6.083 1.00 0.00 C ATOM 179 C TYR A 15 11.820 -7.017 5.755 1.00 0.00 C ATOM 180 O TYR A 15 11.619 -8.035 6.386 1.00 0.00 O ATOM 181 CB TYR A 15 12.021 -4.790 6.872 1.00 0.00 C ATOM 182 CG TYR A 15 11.211 -3.752 7.611 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.859 -2.547 6.971 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.805 -3.989 8.938 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.103 -1.580 7.660 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.048 -3.021 9.627 1.00 0.00 C ATOM 187 CZ TYR A 15 9.698 -1.817 8.989 1.00 0.00 C ATOM 188 OH TYR A 15 8.954 -0.870 9.663 1.00 0.00 O ATOM 0 H TYR A 15 9.911 -6.882 7.438 1.00 0.00 H new ATOM 0 HA TYR A 15 10.783 -5.229 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.614 -5.372 7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.721 -4.302 6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.169 -2.365 5.953 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.074 -4.913 9.428 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.833 -0.656 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.736 -3.203 10.645 1.00 0.00 H new ATOM 0 HH TYR A 15 8.758 -1.191 10.568 1.00 0.00 H new ATOM 198 N THR A 16 12.678 -6.983 4.774 1.00 0.00 N ATOM 199 CA THR A 16 13.434 -8.213 4.412 1.00 0.00 C ATOM 200 C THR A 16 14.261 -8.657 5.621 1.00 0.00 C ATOM 201 O THR A 16 14.029 -8.226 6.733 1.00 0.00 O ATOM 202 CB THR A 16 14.348 -7.920 3.215 1.00 0.00 C ATOM 203 OG1 THR A 16 15.172 -9.047 2.957 1.00 0.00 O ATOM 204 CG2 THR A 16 15.224 -6.704 3.513 1.00 0.00 C ATOM 0 H THR A 16 12.888 -6.160 4.209 1.00 0.00 H new ATOM 0 HA THR A 16 12.745 -9.011 4.135 1.00 0.00 H new ATOM 0 HB THR A 16 13.733 -7.712 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.754 -8.858 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.870 -6.503 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.591 -5.837 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.837 -6.904 4.392 1.00 0.00 H new ATOM 212 N ALA A 17 15.225 -9.514 5.417 1.00 0.00 N ATOM 213 CA ALA A 17 16.069 -9.986 6.555 1.00 0.00 C ATOM 214 C ALA A 17 17.501 -10.171 6.059 1.00 0.00 C ATOM 215 O ALA A 17 18.322 -10.792 6.705 1.00 0.00 O ATOM 216 CB ALA A 17 15.528 -11.321 7.069 1.00 0.00 C ATOM 0 H ALA A 17 15.466 -9.909 4.508 1.00 0.00 H new ATOM 0 HA ALA A 17 16.048 -9.256 7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.143 -11.667 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.500 -11.191 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.555 -12.058 6.266 1.00 0.00 H new ATOM 222 N ARG A 18 17.805 -9.632 4.908 1.00 0.00 N ATOM 223 CA ARG A 18 19.182 -9.761 4.345 1.00 0.00 C ATOM 224 C ARG A 18 19.565 -8.454 3.649 1.00 0.00 C ATOM 225 O ARG A 18 18.866 -7.978 2.777 1.00 0.00 O ATOM 226 CB ARG A 18 19.210 -10.903 3.324 1.00 0.00 C ATOM 227 CG ARG A 18 19.102 -12.257 4.043 1.00 0.00 C ATOM 228 CD ARG A 18 20.355 -12.517 4.911 1.00 0.00 C ATOM 229 NE ARG A 18 20.820 -13.931 4.727 1.00 0.00 N ATOM 230 CZ ARG A 18 19.981 -14.935 4.773 1.00 0.00 C ATOM 231 NH1 ARG A 18 18.732 -14.740 5.093 1.00 0.00 N ATOM 232 NH2 ARG A 18 20.406 -16.144 4.529 1.00 0.00 N ATOM 0 H ARG A 18 17.153 -9.103 4.329 1.00 0.00 H new ATOM 0 HA ARG A 18 19.887 -9.972 5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.387 -10.791 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.133 -10.862 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.210 -12.271 4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.989 -13.056 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.150 -11.825 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.125 -12.334 5.961 1.00 0.00 H new ATOM 0 HE ARG A 18 21.810 -14.114 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.402 -13.800 5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.085 -15.528 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.388 -16.304 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.756 -16.930 4.564 1.00 0.00 H new ATOM 246 N LYS A 19 20.673 -7.877 4.019 1.00 0.00 N ATOM 247 CA LYS A 19 21.104 -6.607 3.369 1.00 0.00 C ATOM 248 C LYS A 19 21.346 -6.883 1.881 1.00 0.00 C ATOM 249 O LYS A 19 22.107 -7.756 1.518 1.00 0.00 O ATOM 250 CB LYS A 19 22.400 -6.116 4.044 1.00 0.00 C ATOM 251 CG LYS A 19 22.963 -4.843 3.347 1.00 0.00 C ATOM 252 CD LYS A 19 24.487 -4.940 3.164 1.00 0.00 C ATOM 253 CE LYS A 19 25.184 -5.114 4.527 1.00 0.00 C ATOM 254 NZ LYS A 19 25.343 -6.565 4.825 1.00 0.00 N ATOM 0 H LYS A 19 21.299 -8.229 4.743 1.00 0.00 H new ATOM 0 HA LYS A 19 20.339 -5.837 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.204 -5.900 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.148 -6.908 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.485 -4.715 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.720 -3.962 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.728 -5.782 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.858 -4.041 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.159 -4.626 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.598 -4.634 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.298 -6.740 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.638 -6.853 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.204 -7.116 3.954 1.00 0.00 H new ATOM 268 N LEU A 20 20.699 -6.146 1.018 1.00 0.00 N ATOM 269 CA LEU A 20 20.892 -6.371 -0.442 1.00 0.00 C ATOM 270 C LEU A 20 22.290 -5.856 -0.856 1.00 0.00 C ATOM 271 O LEU A 20 22.557 -4.684 -0.680 1.00 0.00 O ATOM 272 CB LEU A 20 19.836 -5.582 -1.229 1.00 0.00 C ATOM 273 CG LEU A 20 18.462 -5.718 -0.571 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.434 -4.973 -1.421 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.069 -7.194 -0.487 1.00 0.00 C ATOM 0 H LEU A 20 20.047 -5.400 1.261 1.00 0.00 H new ATOM 0 HA LEU A 20 20.799 -7.436 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.120 -4.531 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.792 -5.947 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 20 18.496 -5.299 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.449 -5.062 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.710 -3.920 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.408 -5.404 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.089 -7.284 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.030 -7.618 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.807 -7.734 0.107 1.00 0.00 H new ATOM 287 N PRO A 21 23.149 -6.698 -1.409 1.00 0.00 N ATOM 288 CA PRO A 21 24.481 -6.230 -1.833 1.00 0.00 C ATOM 289 C PRO A 21 24.323 -5.050 -2.794 1.00 0.00 C ATOM 290 O PRO A 21 23.395 -5.001 -3.573 1.00 0.00 O ATOM 291 CB PRO A 21 25.124 -7.442 -2.544 1.00 0.00 C ATOM 292 CG PRO A 21 24.198 -8.666 -2.297 1.00 0.00 C ATOM 293 CD PRO A 21 22.897 -8.139 -1.654 1.00 0.00 C ATOM 0 HA PRO A 21 25.095 -5.886 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.230 -7.250 -3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.124 -7.631 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.982 -9.179 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.684 -9.389 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.043 -8.284 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.674 -8.665 -0.725 1.00 0.00 H new ATOM 301 N ARG A 22 25.225 -4.109 -2.762 1.00 0.00 N ATOM 302 CA ARG A 22 25.117 -2.957 -3.699 1.00 0.00 C ATOM 303 C ARG A 22 24.912 -3.496 -5.115 1.00 0.00 C ATOM 304 O ARG A 22 24.272 -2.879 -5.945 1.00 0.00 O ATOM 305 CB ARG A 22 26.396 -2.126 -3.647 1.00 0.00 C ATOM 306 CG ARG A 22 26.242 -0.914 -4.575 1.00 0.00 C ATOM 307 CD ARG A 22 27.445 0.039 -4.423 1.00 0.00 C ATOM 308 NE ARG A 22 26.970 1.460 -4.434 1.00 0.00 N ATOM 309 CZ ARG A 22 26.121 1.886 -5.333 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.776 1.125 -6.335 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.649 3.100 -5.253 1.00 0.00 N ATOM 0 H ARG A 22 26.027 -4.087 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 22 24.275 -2.326 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.590 -1.796 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.250 -2.730 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.164 -1.248 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.319 -0.384 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.972 -0.171 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.154 -0.123 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 22 27.316 2.108 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.169 0.188 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 22 25.113 1.467 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 22 25.942 3.712 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 22 24.987 3.437 -5.952 1.00 0.00 H new ATOM 325 N ASN A 23 25.454 -4.653 -5.393 1.00 0.00 N ATOM 326 CA ASN A 23 25.300 -5.251 -6.748 1.00 0.00 C ATOM 327 C ASN A 23 23.859 -5.731 -6.940 1.00 0.00 C ATOM 328 O ASN A 23 23.556 -6.443 -7.878 1.00 0.00 O ATOM 329 CB ASN A 23 26.255 -6.438 -6.892 1.00 0.00 C ATOM 330 CG ASN A 23 26.078 -7.072 -8.273 1.00 0.00 C ATOM 331 OD1 ASN A 23 26.350 -6.449 -9.280 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.628 -8.293 -8.364 1.00 0.00 N ATOM 0 H ASN A 23 25.999 -5.210 -4.735 1.00 0.00 H new ATOM 0 HA ASN A 23 25.534 -4.500 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.285 -6.107 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.056 -7.175 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.505 -8.724 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.399 -8.817 -7.519 1.00 0.00 H new ATOM 339 N PHE A 24 22.968 -5.355 -6.057 1.00 0.00 N ATOM 340 CA PHE A 24 21.541 -5.798 -6.184 1.00 0.00 C ATOM 341 C PHE A 24 20.615 -4.634 -5.813 1.00 0.00 C ATOM 342 O PHE A 24 19.525 -4.828 -5.315 1.00 0.00 O ATOM 343 CB PHE A 24 21.296 -6.985 -5.236 1.00 0.00 C ATOM 344 CG PHE A 24 20.089 -7.787 -5.686 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.087 -8.410 -6.952 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.970 -7.920 -4.836 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.972 -9.163 -7.365 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.856 -8.673 -5.253 1.00 0.00 C ATOM 349 CZ PHE A 24 17.856 -9.294 -6.517 1.00 0.00 C ATOM 0 H PHE A 24 23.165 -4.760 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 24 21.336 -6.106 -7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.177 -7.626 -5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.139 -6.620 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.942 -8.309 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.968 -7.444 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.973 -9.641 -8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.000 -8.775 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.000 -9.871 -6.836 1.00 0.00 H new ATOM 359 N VAL A 25 21.042 -3.426 -6.069 1.00 0.00 N ATOM 360 CA VAL A 25 20.196 -2.237 -5.751 1.00 0.00 C ATOM 361 C VAL A 25 20.497 -1.145 -6.769 1.00 0.00 C ATOM 362 O VAL A 25 21.409 -0.356 -6.616 1.00 0.00 O ATOM 363 CB VAL A 25 20.504 -1.736 -4.339 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.572 -0.573 -3.995 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.280 -2.870 -3.337 1.00 0.00 C ATOM 0 H VAL A 25 21.947 -3.210 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 25 19.141 -2.508 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 25 21.540 -1.402 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.792 -0.216 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.723 0.237 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.537 -0.910 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.499 -2.514 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.243 -3.200 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.939 -3.704 -3.579 1.00 0.00 H new ATOM 375 N VAL A 26 19.733 -1.116 -7.819 1.00 0.00 N ATOM 376 CA VAL A 26 19.939 -0.109 -8.892 1.00 0.00 C ATOM 377 C VAL A 26 19.184 1.176 -8.545 1.00 0.00 C ATOM 378 O VAL A 26 19.422 2.218 -9.123 1.00 0.00 O ATOM 379 CB VAL A 26 19.407 -0.705 -10.203 1.00 0.00 C ATOM 380 CG1 VAL A 26 18.125 -1.496 -9.915 1.00 0.00 C ATOM 381 CG2 VAL A 26 19.107 0.403 -11.219 1.00 0.00 C ATOM 0 H VAL A 26 18.959 -1.760 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 26 20.996 0.135 -8.995 1.00 0.00 H new ATOM 0 HB VAL A 26 20.166 -1.365 -10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.744 -1.921 -10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.343 -2.299 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.376 -0.831 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.731 -0.041 -12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.356 1.079 -10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 26 20.020 0.960 -11.430 1.00 0.00 H new ATOM 391 N ASP A 27 18.271 1.111 -7.622 1.00 0.00 N ATOM 392 CA ASP A 27 17.504 2.333 -7.267 1.00 0.00 C ATOM 393 C ASP A 27 16.680 2.061 -6.012 1.00 0.00 C ATOM 394 O ASP A 27 16.814 1.030 -5.384 1.00 0.00 O ATOM 395 CB ASP A 27 16.575 2.687 -8.434 1.00 0.00 C ATOM 396 CG ASP A 27 16.121 4.144 -8.312 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.912 5.017 -8.626 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.992 4.359 -7.905 1.00 0.00 O ATOM 0 H ASP A 27 18.023 0.270 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 27 18.183 3.163 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.092 2.536 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.709 2.025 -8.435 1.00 0.00 H new ATOM 403 N TYR A 28 15.826 2.973 -5.637 1.00 0.00 N ATOM 404 CA TYR A 28 15.002 2.749 -4.420 1.00 0.00 C ATOM 405 C TYR A 28 13.737 3.599 -4.474 1.00 0.00 C ATOM 406 O TYR A 28 13.456 4.272 -5.446 1.00 0.00 O ATOM 407 CB TYR A 28 15.813 3.094 -3.165 1.00 0.00 C ATOM 408 CG TYR A 28 15.970 4.596 -3.023 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.679 5.330 -3.996 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.416 5.261 -1.909 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.832 6.722 -3.855 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.569 6.651 -1.768 1.00 0.00 C ATOM 413 CZ TYR A 28 16.277 7.384 -2.742 1.00 0.00 C ATOM 414 OH TYR A 28 16.428 8.749 -2.603 1.00 0.00 O ATOM 0 H TYR A 28 15.665 3.858 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 28 14.716 1.698 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.316 2.690 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.795 2.624 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.105 4.824 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.873 4.701 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.375 7.283 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.144 7.157 -0.914 1.00 0.00 H new ATOM 0 HH TYR A 28 15.984 9.045 -1.781 1.00 0.00 H new ATOM 424 N TYR A 29 12.971 3.549 -3.429 1.00 0.00 N ATOM 425 CA TYR A 29 11.704 4.320 -3.375 1.00 0.00 C ATOM 426 C TYR A 29 11.276 4.427 -1.907 1.00 0.00 C ATOM 427 O TYR A 29 11.410 3.489 -1.152 1.00 0.00 O ATOM 428 CB TYR A 29 10.649 3.569 -4.205 1.00 0.00 C ATOM 429 CG TYR A 29 9.253 3.992 -3.806 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.889 5.349 -3.868 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.319 3.030 -3.371 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.591 5.748 -3.493 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.021 3.428 -2.998 1.00 0.00 C ATOM 434 CZ TYR A 29 6.657 4.787 -3.058 1.00 0.00 C ATOM 435 OH TYR A 29 5.385 5.177 -2.691 1.00 0.00 O ATOM 0 H TYR A 29 13.171 2.997 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 29 11.823 5.324 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.805 3.767 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.764 2.495 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.605 6.085 -4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.599 1.988 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.312 6.790 -3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.305 2.691 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 29 4.868 4.391 -2.417 1.00 0.00 H new ATOM 445 N GLU A 30 10.763 5.554 -1.490 1.00 0.00 N ATOM 446 CA GLU A 30 10.330 5.695 -0.065 1.00 0.00 C ATOM 447 C GLU A 30 8.829 5.402 0.034 1.00 0.00 C ATOM 448 O GLU A 30 8.098 5.522 -0.929 1.00 0.00 O ATOM 449 CB GLU A 30 10.607 7.118 0.417 1.00 0.00 C ATOM 450 CG GLU A 30 12.110 7.394 0.359 1.00 0.00 C ATOM 451 CD GLU A 30 12.539 7.583 -1.097 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.456 8.702 -1.578 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.943 6.607 -1.706 1.00 0.00 O ATOM 0 H GLU A 30 10.625 6.381 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 30 10.883 4.992 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.071 7.835 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.242 7.245 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.349 8.286 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.660 6.566 0.807 1.00 0.00 H new ATOM 460 N THR A 31 8.369 5.009 1.189 1.00 0.00 N ATOM 461 CA THR A 31 6.918 4.695 1.352 1.00 0.00 C ATOM 462 C THR A 31 6.096 5.984 1.339 1.00 0.00 C ATOM 463 O THR A 31 6.574 7.040 0.978 1.00 0.00 O ATOM 464 CB THR A 31 6.708 3.980 2.687 1.00 0.00 C ATOM 465 OG1 THR A 31 7.429 4.668 3.690 1.00 0.00 O ATOM 466 CG2 THR A 31 7.208 2.538 2.578 1.00 0.00 C ATOM 0 H THR A 31 8.934 4.891 2.030 1.00 0.00 H new ATOM 0 HA THR A 31 6.595 4.057 0.529 1.00 0.00 H new ATOM 0 HB THR A 31 5.648 3.967 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.309 5.634 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.058 2.028 3.530 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.653 2.019 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.269 2.539 2.330 1.00 0.00 H new ATOM 474 N SER A 32 4.856 5.897 1.736 1.00 0.00 N ATOM 475 CA SER A 32 3.983 7.102 1.758 1.00 0.00 C ATOM 476 C SER A 32 4.219 7.881 3.051 1.00 0.00 C ATOM 477 O SER A 32 5.303 7.882 3.603 1.00 0.00 O ATOM 478 CB SER A 32 2.521 6.662 1.692 1.00 0.00 C ATOM 479 OG SER A 32 2.328 5.837 0.551 1.00 0.00 O ATOM 0 H SER A 32 4.408 5.035 2.048 1.00 0.00 H new ATOM 0 HA SER A 32 4.216 7.738 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.252 6.118 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.869 7.534 1.639 1.00 0.00 H new ATOM 0 HG SER A 32 1.661 6.246 -0.039 1.00 0.00 H new ATOM 485 N SER A 33 3.206 8.544 3.537 1.00 0.00 N ATOM 486 CA SER A 33 3.340 9.335 4.798 1.00 0.00 C ATOM 487 C SER A 33 2.081 9.137 5.634 1.00 0.00 C ATOM 488 O SER A 33 2.126 9.088 6.848 1.00 0.00 O ATOM 489 CB SER A 33 3.475 10.813 4.447 1.00 0.00 C ATOM 490 OG SER A 33 2.184 11.353 4.193 1.00 0.00 O ATOM 0 H SER A 33 2.280 8.573 3.111 1.00 0.00 H new ATOM 0 HA SER A 33 4.217 9.006 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.953 11.351 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.112 10.934 3.571 1.00 0.00 H new ATOM 0 HG SER A 33 2.265 12.303 3.969 1.00 0.00 H new ATOM 496 N LEU A 34 0.958 9.029 4.978 1.00 0.00 N ATOM 497 CA LEU A 34 -0.339 8.836 5.691 1.00 0.00 C ATOM 498 C LEU A 34 -0.160 7.870 6.863 1.00 0.00 C ATOM 499 O LEU A 34 -0.456 8.188 7.997 1.00 0.00 O ATOM 500 CB LEU A 34 -1.368 8.250 4.720 1.00 0.00 C ATOM 501 CG LEU A 34 -1.286 8.963 3.369 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.439 8.494 2.478 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.381 10.478 3.580 1.00 0.00 C ATOM 0 H LEU A 34 0.882 9.067 3.962 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.681 9.800 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.188 7.183 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.371 8.355 5.134 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.336 8.727 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.383 9.000 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.367 7.417 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.389 8.730 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.322 10.984 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.329 10.720 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.559 10.809 4.214 1.00 0.00 H new ATOM 515 N CYS A 35 0.319 6.691 6.591 1.00 0.00 N ATOM 516 CA CYS A 35 0.515 5.702 7.683 1.00 0.00 C ATOM 517 C CYS A 35 1.666 6.167 8.583 1.00 0.00 C ATOM 518 O CYS A 35 2.728 6.519 8.118 1.00 0.00 O ATOM 519 CB CYS A 35 0.835 4.328 7.081 1.00 0.00 C ATOM 520 SG CYS A 35 1.937 4.523 5.658 1.00 0.00 S ATOM 0 H CYS A 35 0.583 6.369 5.660 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.395 5.622 8.277 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.305 3.692 7.832 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.086 3.832 6.774 1.00 0.00 H new ATOM 525 N SER A 36 1.447 6.197 9.867 1.00 0.00 N ATOM 526 CA SER A 36 2.512 6.656 10.809 1.00 0.00 C ATOM 527 C SER A 36 3.703 5.684 10.825 1.00 0.00 C ATOM 528 O SER A 36 4.345 5.520 11.843 1.00 0.00 O ATOM 529 CB SER A 36 1.926 6.755 12.217 1.00 0.00 C ATOM 530 OG SER A 36 0.903 7.742 12.232 1.00 0.00 O ATOM 0 H SER A 36 0.571 5.922 10.310 1.00 0.00 H new ATOM 0 HA SER A 36 2.870 7.629 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.521 5.790 12.523 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.708 7.014 12.931 1.00 0.00 H new ATOM 0 HG SER A 36 0.524 7.807 13.133 1.00 0.00 H new ATOM 536 N GLN A 37 4.017 5.031 9.732 1.00 0.00 N ATOM 537 CA GLN A 37 5.177 4.083 9.758 1.00 0.00 C ATOM 538 C GLN A 37 5.781 3.913 8.355 1.00 0.00 C ATOM 539 O GLN A 37 5.731 2.834 7.803 1.00 0.00 O ATOM 540 CB GLN A 37 4.699 2.720 10.270 1.00 0.00 C ATOM 541 CG GLN A 37 3.393 2.334 9.571 1.00 0.00 C ATOM 542 CD GLN A 37 2.944 0.955 10.055 1.00 0.00 C ATOM 543 OE1 GLN A 37 1.858 0.805 10.578 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.740 -0.068 9.899 1.00 0.00 N ATOM 0 H GLN A 37 3.531 5.110 8.839 1.00 0.00 H new ATOM 0 HA GLN A 37 5.944 4.489 10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.460 1.963 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.547 2.759 11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.622 3.075 9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.536 2.323 8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.652 0.058 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.450 -0.993 10.216 1.00 0.00 H new ATOM 553 N PRO A 38 6.361 4.968 7.823 1.00 0.00 N ATOM 554 CA PRO A 38 6.997 4.908 6.493 1.00 0.00 C ATOM 555 C PRO A 38 8.249 4.020 6.574 1.00 0.00 C ATOM 556 O PRO A 38 8.563 3.459 7.604 1.00 0.00 O ATOM 557 CB PRO A 38 7.373 6.374 6.169 1.00 0.00 C ATOM 558 CG PRO A 38 7.100 7.219 7.448 1.00 0.00 C ATOM 559 CD PRO A 38 6.423 6.290 8.484 1.00 0.00 C ATOM 0 HA PRO A 38 6.350 4.485 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.421 6.446 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.783 6.745 5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.031 7.623 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.457 8.068 7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.998 6.243 9.409 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.427 6.648 8.746 1.00 0.00 H new ATOM 567 N ALA A 39 8.957 3.900 5.493 1.00 0.00 N ATOM 568 CA ALA A 39 10.186 3.071 5.471 1.00 0.00 C ATOM 569 C ALA A 39 10.871 3.289 4.126 1.00 0.00 C ATOM 570 O ALA A 39 10.314 3.910 3.241 1.00 0.00 O ATOM 571 CB ALA A 39 9.816 1.594 5.625 1.00 0.00 C ATOM 0 H ALA A 39 8.731 4.350 4.606 1.00 0.00 H new ATOM 0 HA ALA A 39 10.849 3.352 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.722 0.988 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.298 1.446 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.164 1.295 4.804 1.00 0.00 H new ATOM 577 N VAL A 40 12.053 2.769 3.944 1.00 0.00 N ATOM 578 CA VAL A 40 12.744 2.936 2.628 1.00 0.00 C ATOM 579 C VAL A 40 12.529 1.654 1.830 1.00 0.00 C ATOM 580 O VAL A 40 12.518 0.569 2.377 1.00 0.00 O ATOM 581 CB VAL A 40 14.244 3.173 2.850 1.00 0.00 C ATOM 582 CG1 VAL A 40 15.009 2.939 1.543 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.461 4.617 3.300 1.00 0.00 C ATOM 0 H VAL A 40 12.571 2.238 4.644 1.00 0.00 H new ATOM 0 HA VAL A 40 12.341 3.794 2.089 1.00 0.00 H new ATOM 0 HB VAL A 40 14.608 2.483 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.073 3.109 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.853 1.913 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.646 3.628 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.525 4.792 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.092 5.297 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.921 4.793 4.230 1.00 0.00 H new ATOM 593 N VAL A 41 12.346 1.778 0.543 1.00 0.00 N ATOM 594 CA VAL A 41 12.113 0.574 -0.317 1.00 0.00 C ATOM 595 C VAL A 41 13.209 0.488 -1.381 1.00 0.00 C ATOM 596 O VAL A 41 13.354 1.363 -2.205 1.00 0.00 O ATOM 597 CB VAL A 41 10.737 0.693 -0.982 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.260 -0.683 -1.439 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.737 1.256 0.032 1.00 0.00 C ATOM 0 H VAL A 41 12.347 2.667 0.044 1.00 0.00 H new ATOM 0 HA VAL A 41 12.141 -0.330 0.291 1.00 0.00 H new ATOM 0 HB VAL A 41 10.810 1.355 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.282 -0.591 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.971 -1.095 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.187 -1.347 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.756 1.343 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.673 0.587 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.070 2.240 0.364 1.00 0.00 H new ATOM 609 N PHE A 42 13.997 -0.553 -1.362 1.00 0.00 N ATOM 610 CA PHE A 42 15.097 -0.676 -2.366 1.00 0.00 C ATOM 611 C PHE A 42 14.604 -1.406 -3.616 1.00 0.00 C ATOM 612 O PHE A 42 13.948 -2.426 -3.542 1.00 0.00 O ATOM 613 CB PHE A 42 16.256 -1.468 -1.756 1.00 0.00 C ATOM 614 CG PHE A 42 17.002 -0.600 -0.771 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.743 0.506 -1.231 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.961 -0.896 0.605 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.443 1.314 -0.316 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.661 -0.089 1.519 1.00 0.00 C ATOM 619 CZ PHE A 42 18.403 1.017 1.059 1.00 0.00 C ATOM 0 H PHE A 42 13.928 -1.323 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 42 15.427 0.325 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.877 -2.359 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.931 -1.806 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.774 0.734 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.392 -1.743 0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.011 2.162 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.630 -0.317 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.941 1.637 1.761 1.00 0.00 H new ATOM 629 N GLN A 43 14.947 -0.894 -4.768 1.00 0.00 N ATOM 630 CA GLN A 43 14.546 -1.546 -6.047 1.00 0.00 C ATOM 631 C GLN A 43 15.744 -2.362 -6.536 1.00 0.00 C ATOM 632 O GLN A 43 16.823 -1.829 -6.709 1.00 0.00 O ATOM 633 CB GLN A 43 14.194 -0.460 -7.065 1.00 0.00 C ATOM 634 CG GLN A 43 12.951 0.298 -6.593 1.00 0.00 C ATOM 635 CD GLN A 43 12.806 1.591 -7.395 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.317 2.582 -6.890 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.214 1.625 -8.635 1.00 0.00 N ATOM 0 H GLN A 43 15.495 -0.041 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 43 13.679 -2.193 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.031 0.229 -7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.011 -0.908 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.064 -0.322 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.032 0.524 -5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.625 0.794 -9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.122 2.483 -9.179 1.00 0.00 H new ATOM 646 N THR A 44 15.594 -3.656 -6.717 1.00 0.00 N ATOM 647 CA THR A 44 16.777 -4.486 -7.140 1.00 0.00 C ATOM 648 C THR A 44 16.781 -4.749 -8.643 1.00 0.00 C ATOM 649 O THR A 44 16.018 -4.186 -9.402 1.00 0.00 O ATOM 650 CB THR A 44 16.745 -5.832 -6.419 1.00 0.00 C ATOM 651 OG1 THR A 44 15.861 -6.705 -7.102 1.00 0.00 O ATOM 652 CG2 THR A 44 16.260 -5.628 -4.981 1.00 0.00 C ATOM 0 H THR A 44 14.721 -4.168 -6.593 1.00 0.00 H new ATOM 0 HA THR A 44 17.675 -3.925 -6.881 1.00 0.00 H new ATOM 0 HB THR A 44 17.745 -6.266 -6.403 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.175 -7.629 -7.007 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.237 -6.588 -4.465 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.939 -4.953 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.259 -5.198 -4.992 1.00 0.00 H new ATOM 660 N LYS A 45 17.669 -5.616 -9.063 1.00 0.00 N ATOM 661 CA LYS A 45 17.799 -5.964 -10.505 1.00 0.00 C ATOM 662 C LYS A 45 17.014 -7.245 -10.811 1.00 0.00 C ATOM 663 O LYS A 45 16.725 -7.538 -11.954 1.00 0.00 O ATOM 664 CB LYS A 45 19.279 -6.192 -10.816 1.00 0.00 C ATOM 665 CG LYS A 45 20.107 -5.110 -10.128 1.00 0.00 C ATOM 666 CD LYS A 45 21.554 -5.184 -10.616 1.00 0.00 C ATOM 667 CE LYS A 45 22.328 -3.970 -10.105 1.00 0.00 C ATOM 668 NZ LYS A 45 22.574 -4.116 -8.643 1.00 0.00 N ATOM 0 H LYS A 45 18.321 -6.106 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 45 17.401 -5.153 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.588 -7.178 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.445 -6.165 -11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.690 -4.126 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.070 -5.242 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.022 -6.102 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.580 -5.213 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.275 -3.879 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.764 -3.058 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.291 -3.426 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.689 -3.945 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.913 -5.078 -8.442 1.00 0.00 H new ATOM 682 N ARG A 46 16.668 -8.016 -9.804 1.00 0.00 N ATOM 683 CA ARG A 46 15.903 -9.281 -10.052 1.00 0.00 C ATOM 684 C ARG A 46 14.835 -9.438 -8.968 1.00 0.00 C ATOM 685 O ARG A 46 14.806 -10.401 -8.233 1.00 0.00 O ATOM 686 CB ARG A 46 16.863 -10.487 -10.027 1.00 0.00 C ATOM 687 CG ARG A 46 16.270 -11.684 -10.808 1.00 0.00 C ATOM 688 CD ARG A 46 15.152 -12.379 -10.014 1.00 0.00 C ATOM 689 NE ARG A 46 15.583 -12.614 -8.593 1.00 0.00 N ATOM 690 CZ ARG A 46 16.678 -13.266 -8.303 1.00 0.00 C ATOM 691 NH1 ARG A 46 17.334 -13.910 -9.230 1.00 0.00 N ATOM 692 NH2 ARG A 46 17.088 -13.323 -7.066 1.00 0.00 N ATOM 0 H ARG A 46 16.882 -7.824 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 46 15.425 -9.236 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.821 -10.203 -10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.056 -10.781 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 46 15.877 -11.337 -11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.060 -12.402 -11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.251 -11.766 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.900 -13.329 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 46 15.004 -12.254 -7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.993 -13.907 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.188 -14.416 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.555 -12.860 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.942 -13.831 -6.835 1.00 0.00 H new ATOM 706 N SER A 47 13.950 -8.497 -8.872 1.00 0.00 N ATOM 707 CA SER A 47 12.867 -8.587 -7.869 1.00 0.00 C ATOM 708 C SER A 47 11.870 -7.475 -8.166 1.00 0.00 C ATOM 709 O SER A 47 11.302 -7.401 -9.237 1.00 0.00 O ATOM 710 CB SER A 47 13.430 -8.448 -6.447 1.00 0.00 C ATOM 711 OG SER A 47 13.800 -7.100 -6.204 1.00 0.00 O ATOM 0 H SER A 47 13.931 -7.659 -9.453 1.00 0.00 H new ATOM 0 HA SER A 47 12.377 -9.559 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.684 -8.767 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.295 -9.100 -6.324 1.00 0.00 H new ATOM 0 HG SER A 47 14.678 -6.925 -6.602 1.00 0.00 H new ATOM 717 N LYS A 48 11.674 -6.600 -7.239 1.00 0.00 N ATOM 718 CA LYS A 48 10.744 -5.468 -7.448 1.00 0.00 C ATOM 719 C LYS A 48 11.141 -4.381 -6.466 1.00 0.00 C ATOM 720 O LYS A 48 12.068 -3.626 -6.693 1.00 0.00 O ATOM 721 CB LYS A 48 9.303 -5.911 -7.172 1.00 0.00 C ATOM 722 CG LYS A 48 8.836 -6.879 -8.264 1.00 0.00 C ATOM 723 CD LYS A 48 7.313 -7.018 -8.206 1.00 0.00 C ATOM 724 CE LYS A 48 6.836 -7.909 -9.355 1.00 0.00 C ATOM 725 NZ LYS A 48 5.349 -7.857 -9.439 1.00 0.00 N ATOM 0 H LYS A 48 12.127 -6.618 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 48 10.797 -5.109 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.242 -6.393 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.646 -5.042 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.141 -6.513 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.306 -7.853 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.013 -7.448 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.845 -6.036 -8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.276 -7.576 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.166 -8.935 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.024 -8.462 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.939 -8.195 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.045 -6.877 -9.611 1.00 0.00 H new ATOM 739 N GLN A 49 10.460 -4.331 -5.354 1.00 0.00 N ATOM 740 CA GLN A 49 10.777 -3.331 -4.296 1.00 0.00 C ATOM 741 C GLN A 49 10.926 -4.093 -2.971 1.00 0.00 C ATOM 742 O GLN A 49 10.226 -5.057 -2.720 1.00 0.00 O ATOM 743 CB GLN A 49 9.635 -2.286 -4.207 1.00 0.00 C ATOM 744 CG GLN A 49 8.764 -2.348 -5.468 1.00 0.00 C ATOM 745 CD GLN A 49 7.742 -1.209 -5.439 1.00 0.00 C ATOM 746 OE1 GLN A 49 6.556 -1.445 -5.333 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.156 0.025 -5.529 1.00 0.00 N ATOM 0 H GLN A 49 9.683 -4.953 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 49 11.700 -2.797 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.025 -2.477 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.054 -1.286 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.388 -2.268 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.252 -3.309 -5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.153 0.223 -5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.483 0.791 -5.510 1.00 0.00 H new ATOM 756 N VAL A 50 11.845 -3.684 -2.133 1.00 0.00 N ATOM 757 CA VAL A 50 12.056 -4.391 -0.828 1.00 0.00 C ATOM 758 C VAL A 50 12.065 -3.370 0.299 1.00 0.00 C ATOM 759 O VAL A 50 12.864 -2.460 0.312 1.00 0.00 O ATOM 760 CB VAL A 50 13.396 -5.129 -0.862 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.471 -6.103 0.316 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.517 -5.898 -2.184 1.00 0.00 C ATOM 0 H VAL A 50 12.462 -2.888 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 50 11.252 -5.108 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 50 14.214 -4.412 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.425 -6.629 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.384 -5.550 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.657 -6.824 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.471 -6.425 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.702 -6.618 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.465 -5.198 -3.018 1.00 0.00 H new ATOM 772 N CYS A 51 11.184 -3.519 1.247 1.00 0.00 N ATOM 773 CA CYS A 51 11.132 -2.552 2.373 1.00 0.00 C ATOM 774 C CYS A 51 12.346 -2.763 3.273 1.00 0.00 C ATOM 775 O CYS A 51 12.855 -3.859 3.399 1.00 0.00 O ATOM 776 CB CYS A 51 9.852 -2.784 3.177 1.00 0.00 C ATOM 777 SG CYS A 51 8.411 -2.436 2.137 1.00 0.00 S ATOM 0 H CYS A 51 10.497 -4.271 1.289 1.00 0.00 H new ATOM 0 HA CYS A 51 11.139 -1.533 1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.816 -3.813 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.842 -2.141 4.057 1.00 0.00 H new ATOM 782 N ALA A 52 12.825 -1.714 3.888 1.00 0.00 N ATOM 783 CA ALA A 52 14.023 -1.836 4.771 1.00 0.00 C ATOM 784 C ALA A 52 13.849 -0.935 5.995 1.00 0.00 C ATOM 785 O ALA A 52 13.434 0.204 5.888 1.00 0.00 O ATOM 786 CB ALA A 52 15.266 -1.399 3.992 1.00 0.00 C ATOM 0 H ALA A 52 12.436 -0.774 3.817 1.00 0.00 H new ATOM 0 HA ALA A 52 14.135 -2.870 5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.145 -1.486 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.390 -2.037 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.150 -0.363 3.673 1.00 0.00 H new ATOM 792 N ASP A 53 14.167 -1.438 7.156 1.00 0.00 N ATOM 793 CA ASP A 53 14.026 -0.618 8.392 1.00 0.00 C ATOM 794 C ASP A 53 15.058 0.536 8.359 1.00 0.00 C ATOM 795 O ASP A 53 16.242 0.263 8.337 1.00 0.00 O ATOM 796 CB ASP A 53 14.313 -1.501 9.609 1.00 0.00 C ATOM 797 CG ASP A 53 13.529 -2.808 9.490 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.680 -3.478 8.481 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.791 -3.118 10.411 1.00 0.00 O ATOM 0 H ASP A 53 14.519 -2.384 7.302 1.00 0.00 H new ATOM 0 HA ASP A 53 13.016 -0.211 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.381 -1.710 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.033 -0.979 10.524 1.00 0.00 H new ATOM 804 N PRO A 54 14.624 1.792 8.356 1.00 0.00 N ATOM 805 CA PRO A 54 15.582 2.920 8.325 1.00 0.00 C ATOM 806 C PRO A 54 16.494 2.876 9.561 1.00 0.00 C ATOM 807 O PRO A 54 17.446 3.624 9.668 1.00 0.00 O ATOM 808 CB PRO A 54 14.707 4.195 8.323 1.00 0.00 C ATOM 809 CG PRO A 54 13.217 3.744 8.354 1.00 0.00 C ATOM 810 CD PRO A 54 13.197 2.199 8.379 1.00 0.00 C ATOM 0 HA PRO A 54 16.237 2.884 7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.936 4.818 9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.907 4.795 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.713 4.148 9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.685 4.120 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.695 1.826 9.272 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.659 1.798 7.520 1.00 0.00 H new ATOM 818 N SER A 55 16.201 2.020 10.497 1.00 0.00 N ATOM 819 CA SER A 55 17.040 1.944 11.728 1.00 0.00 C ATOM 820 C SER A 55 18.336 1.184 11.432 1.00 0.00 C ATOM 821 O SER A 55 19.288 1.253 12.184 1.00 0.00 O ATOM 822 CB SER A 55 16.265 1.216 12.827 1.00 0.00 C ATOM 823 OG SER A 55 14.947 1.742 12.899 1.00 0.00 O ATOM 0 H SER A 55 15.417 1.368 10.465 1.00 0.00 H new ATOM 0 HA SER A 55 17.284 2.954 12.057 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.231 0.147 12.617 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.770 1.337 13.785 1.00 0.00 H new ATOM 0 HG SER A 55 14.447 1.276 13.601 1.00 0.00 H new ATOM 829 N GLU A 56 18.384 0.460 10.348 1.00 0.00 N ATOM 830 CA GLU A 56 19.626 -0.300 10.014 1.00 0.00 C ATOM 831 C GLU A 56 20.630 0.641 9.337 1.00 0.00 C ATOM 832 O GLU A 56 20.360 1.230 8.309 1.00 0.00 O ATOM 833 CB GLU A 56 19.274 -1.458 9.078 1.00 0.00 C ATOM 834 CG GLU A 56 18.701 -2.625 9.887 1.00 0.00 C ATOM 835 CD GLU A 56 19.823 -3.296 10.681 1.00 0.00 C ATOM 836 OE1 GLU A 56 20.885 -3.496 10.116 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.600 -3.599 11.842 1.00 0.00 O ATOM 0 H GLU A 56 17.620 0.361 9.679 1.00 0.00 H new ATOM 0 HA GLU A 56 20.072 -0.701 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.548 -1.129 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.162 -1.782 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.926 -2.266 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.231 -3.348 9.220 1.00 0.00 H new ATOM 844 N SER A 57 21.781 0.792 9.928 1.00 0.00 N ATOM 845 CA SER A 57 22.823 1.698 9.366 1.00 0.00 C ATOM 846 C SER A 57 23.075 1.420 7.879 1.00 0.00 C ATOM 847 O SER A 57 23.248 2.333 7.097 1.00 0.00 O ATOM 848 CB SER A 57 24.127 1.503 10.139 1.00 0.00 C ATOM 849 OG SER A 57 23.908 1.802 11.511 1.00 0.00 O ATOM 0 H SER A 57 22.049 0.319 10.791 1.00 0.00 H new ATOM 0 HA SER A 57 22.467 2.723 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.478 0.477 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.904 2.151 9.733 1.00 0.00 H new ATOM 0 HG SER A 57 24.742 1.676 12.010 1.00 0.00 H new ATOM 855 N TRP A 58 23.124 0.179 7.477 1.00 0.00 N ATOM 856 CA TRP A 58 23.399 -0.108 6.039 1.00 0.00 C ATOM 857 C TRP A 58 22.329 0.548 5.169 1.00 0.00 C ATOM 858 O TRP A 58 22.584 0.940 4.049 1.00 0.00 O ATOM 859 CB TRP A 58 23.470 -1.621 5.795 1.00 0.00 C ATOM 860 CG TRP A 58 22.112 -2.251 5.759 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.586 -3.006 6.749 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.123 -2.234 4.686 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.342 -3.461 6.354 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.005 -3.008 5.096 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.085 -1.633 3.408 1.00 0.00 C ATOM 866 CZ2 TRP A 58 18.886 -3.179 4.270 1.00 0.00 C ATOM 867 CZ3 TRP A 58 19.964 -1.802 2.571 1.00 0.00 C ATOM 868 CH2 TRP A 58 18.864 -2.572 3.003 1.00 0.00 C ATOM 0 H TRP A 58 22.988 -0.638 8.072 1.00 0.00 H new ATOM 0 HA TRP A 58 24.367 0.313 5.768 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.983 -1.812 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.064 -2.087 6.581 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.061 -3.219 7.695 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.745 -4.060 6.924 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.922 -1.039 3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.048 -3.772 4.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.947 -1.340 1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.005 -2.695 2.360 1.00 0.00 H new ATOM 879 N VAL A 59 21.143 0.699 5.680 1.00 0.00 N ATOM 880 CA VAL A 59 20.076 1.353 4.878 1.00 0.00 C ATOM 881 C VAL A 59 20.425 2.825 4.695 1.00 0.00 C ATOM 882 O VAL A 59 20.361 3.359 3.607 1.00 0.00 O ATOM 883 CB VAL A 59 18.744 1.220 5.613 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.634 1.909 4.813 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.428 -0.265 5.770 1.00 0.00 C ATOM 0 H VAL A 59 20.866 0.399 6.615 1.00 0.00 H new ATOM 0 HA VAL A 59 19.995 0.877 3.901 1.00 0.00 H new ATOM 0 HB VAL A 59 18.809 1.694 6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.687 1.810 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.874 2.966 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.550 1.443 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.479 -0.382 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.359 -0.728 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.220 -0.747 6.343 1.00 0.00 H new ATOM 895 N GLN A 60 20.810 3.483 5.748 1.00 0.00 N ATOM 896 CA GLN A 60 21.177 4.921 5.624 1.00 0.00 C ATOM 897 C GLN A 60 22.395 5.054 4.707 1.00 0.00 C ATOM 898 O GLN A 60 22.482 5.954 3.897 1.00 0.00 O ATOM 899 CB GLN A 60 21.511 5.486 7.005 1.00 0.00 C ATOM 900 CG GLN A 60 20.250 5.495 7.870 1.00 0.00 C ATOM 901 CD GLN A 60 19.327 6.628 7.415 1.00 0.00 C ATOM 902 OE1 GLN A 60 19.776 7.724 7.146 1.00 0.00 O ATOM 903 NE2 GLN A 60 18.044 6.407 7.316 1.00 0.00 N ATOM 0 H GLN A 60 20.887 3.091 6.687 1.00 0.00 H new ATOM 0 HA GLN A 60 20.340 5.476 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.286 4.883 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.907 6.497 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.735 4.538 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.516 5.627 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.666 5.487 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.420 7.154 7.013 1.00 0.00 H new ATOM 912 N GLU A 61 23.337 4.161 4.834 1.00 0.00 N ATOM 913 CA GLU A 61 24.555 4.226 3.975 1.00 0.00 C ATOM 914 C GLU A 61 24.172 4.002 2.509 1.00 0.00 C ATOM 915 O GLU A 61 24.556 4.753 1.635 1.00 0.00 O ATOM 916 CB GLU A 61 25.547 3.147 4.414 1.00 0.00 C ATOM 917 CG GLU A 61 26.893 3.380 3.726 1.00 0.00 C ATOM 918 CD GLU A 61 27.561 4.624 4.317 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.368 4.871 5.495 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.253 5.306 3.580 1.00 0.00 O ATOM 0 H GLU A 61 23.317 3.386 5.497 1.00 0.00 H new ATOM 0 HA GLU A 61 25.014 5.209 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.671 3.171 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.163 2.159 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 61 27.537 2.511 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.748 3.507 2.653 1.00 0.00 H new ATOM 927 N TYR A 62 23.423 2.971 2.235 1.00 0.00 N ATOM 928 CA TYR A 62 23.019 2.693 0.826 1.00 0.00 C ATOM 929 C TYR A 62 22.167 3.852 0.299 1.00 0.00 C ATOM 930 O TYR A 62 22.250 4.217 -0.858 1.00 0.00 O ATOM 931 CB TYR A 62 22.210 1.385 0.765 1.00 0.00 C ATOM 932 CG TYR A 62 23.142 0.183 0.731 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.166 0.041 1.691 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.981 -0.799 -0.270 1.00 0.00 C ATOM 935 CE1 TYR A 62 25.021 -1.078 1.649 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.837 -1.915 -0.310 1.00 0.00 C ATOM 937 CZ TYR A 62 24.857 -2.054 0.650 1.00 0.00 C ATOM 938 OH TYR A 62 25.696 -3.149 0.610 1.00 0.00 O ATOM 0 H TYR A 62 23.072 2.307 2.926 1.00 0.00 H new ATOM 0 HA TYR A 62 23.912 2.591 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.551 1.317 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.574 1.385 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.295 0.790 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.199 -0.694 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.804 -1.186 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.711 -2.665 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 62 25.445 -3.726 -0.141 1.00 0.00 H new ATOM 948 N VAL A 63 21.358 4.443 1.133 1.00 0.00 N ATOM 949 CA VAL A 63 20.523 5.580 0.671 1.00 0.00 C ATOM 950 C VAL A 63 21.453 6.729 0.308 1.00 0.00 C ATOM 951 O VAL A 63 21.280 7.398 -0.689 1.00 0.00 O ATOM 952 CB VAL A 63 19.571 6.005 1.797 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.945 7.366 1.474 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.461 4.960 1.940 1.00 0.00 C ATOM 0 H VAL A 63 21.241 4.186 2.113 1.00 0.00 H new ATOM 0 HA VAL A 63 19.928 5.294 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 63 20.132 6.083 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.271 7.657 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.732 8.113 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.386 7.297 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.782 5.258 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.909 4.885 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.901 3.992 2.180 1.00 0.00 H new ATOM 964 N TYR A 64 22.446 6.952 1.116 1.00 0.00 N ATOM 965 CA TYR A 64 23.401 8.048 0.832 1.00 0.00 C ATOM 966 C TYR A 64 24.132 7.752 -0.474 1.00 0.00 C ATOM 967 O TYR A 64 24.329 8.616 -1.304 1.00 0.00 O ATOM 968 CB TYR A 64 24.414 8.142 1.978 1.00 0.00 C ATOM 969 CG TYR A 64 25.093 9.494 1.954 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.394 10.640 2.376 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.426 9.606 1.507 1.00 0.00 C ATOM 972 CE1 TYR A 64 25.025 11.899 2.353 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.057 10.865 1.485 1.00 0.00 C ATOM 974 CZ TYR A 64 26.356 12.011 1.908 1.00 0.00 C ATOM 975 OH TYR A 64 26.975 13.244 1.886 1.00 0.00 O ATOM 0 H TYR A 64 22.637 6.419 1.964 1.00 0.00 H new ATOM 0 HA TYR A 64 22.865 8.993 0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.910 7.995 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.157 7.350 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.373 10.554 2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.963 8.727 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.488 12.778 2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.078 10.952 1.144 1.00 0.00 H new ATOM 0 HH TYR A 64 27.891 13.144 1.553 1.00 0.00 H new ATOM 985 N ASP A 65 24.538 6.530 -0.653 1.00 0.00 N ATOM 986 CA ASP A 65 25.267 6.152 -1.896 1.00 0.00 C ATOM 987 C ASP A 65 24.371 6.387 -3.116 1.00 0.00 C ATOM 988 O ASP A 65 24.833 6.771 -4.172 1.00 0.00 O ATOM 989 CB ASP A 65 25.650 4.671 -1.817 1.00 0.00 C ATOM 990 CG ASP A 65 26.874 4.500 -0.914 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.236 5.459 -0.252 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.429 3.413 -0.899 1.00 0.00 O ATOM 0 H ASP A 65 24.396 5.770 0.012 1.00 0.00 H new ATOM 0 HA ASP A 65 26.165 6.762 -1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.814 4.090 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.866 4.288 -2.814 1.00 0.00 H new ATOM 997 N LEU A 66 23.098 6.158 -2.977 1.00 0.00 N ATOM 998 CA LEU A 66 22.172 6.365 -4.125 1.00 0.00 C ATOM 999 C LEU A 66 22.004 7.865 -4.384 1.00 0.00 C ATOM 1000 O LEU A 66 21.780 8.292 -5.500 1.00 0.00 O ATOM 1001 CB LEU A 66 20.813 5.734 -3.788 1.00 0.00 C ATOM 1002 CG LEU A 66 20.857 4.211 -4.035 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.755 3.522 -3.224 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.625 3.903 -5.524 1.00 0.00 C ATOM 0 H LEU A 66 22.656 5.835 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 66 22.579 5.896 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.559 5.934 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.032 6.187 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 66 21.837 3.844 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.790 2.447 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.907 3.719 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.783 3.909 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.659 2.825 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.649 4.284 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.402 4.382 -6.120 1.00 0.00 H new ATOM 1016 N GLU A 67 22.114 8.666 -3.364 1.00 0.00 N ATOM 1017 CA GLU A 67 21.969 10.139 -3.554 1.00 0.00 C ATOM 1018 C GLU A 67 23.208 10.677 -4.265 1.00 0.00 C ATOM 1019 O GLU A 67 23.156 11.666 -4.968 1.00 0.00 O ATOM 1020 CB GLU A 67 21.835 10.817 -2.191 1.00 0.00 C ATOM 1021 CG GLU A 67 20.464 10.498 -1.605 1.00 0.00 C ATOM 1022 CD GLU A 67 20.265 11.281 -0.305 1.00 0.00 C ATOM 1023 OE1 GLU A 67 21.028 12.204 -0.071 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.354 10.944 0.432 1.00 0.00 O ATOM 0 H GLU A 67 22.298 8.367 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 67 21.081 10.345 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.620 10.469 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.958 11.895 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.683 10.757 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.379 9.428 -1.413 1.00 0.00 H new ATOM 1116 N SER B 5 10.990 -9.293 -3.796 1.00 0.00 N ATOM 1117 CA SER B 5 11.519 -9.724 -2.465 1.00 0.00 C ATOM 1118 C SER B 5 10.515 -9.365 -1.353 1.00 0.00 C ATOM 1119 O SER B 5 9.948 -10.232 -0.720 1.00 0.00 O ATOM 1120 CB SER B 5 12.879 -9.050 -2.218 1.00 0.00 C ATOM 1121 OG SER B 5 13.855 -10.055 -1.976 1.00 0.00 O ATOM 0 HA SER B 5 11.655 -10.805 -2.457 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.164 -8.448 -3.081 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.815 -8.374 -1.365 1.00 0.00 H new ATOM 0 HG SER B 5 14.726 -9.634 -1.819 1.00 0.00 H new ATOM 1127 N ASP B 6 10.291 -8.097 -1.108 1.00 0.00 N ATOM 1128 CA ASP B 6 9.323 -7.707 -0.033 1.00 0.00 C ATOM 1129 C ASP B 6 8.797 -6.285 -0.292 1.00 0.00 C ATOM 1130 O ASP B 6 9.119 -5.373 0.443 1.00 0.00 O ATOM 1131 CB ASP B 6 10.022 -7.745 1.339 1.00 0.00 C ATOM 1132 CG ASP B 6 8.972 -7.833 2.450 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.121 -8.704 2.366 1.00 0.00 O ATOM 1134 OD2 ASP B 6 9.038 -7.029 3.365 1.00 0.00 O ATOM 0 H ASP B 6 10.732 -7.320 -1.601 1.00 0.00 H new ATOM 0 HA ASP B 6 8.490 -8.410 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.694 -8.601 1.392 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.632 -6.852 1.472 1.00 0.00 H new ATOM 1139 N PRO B 7 8.002 -6.126 -1.328 1.00 0.00 N ATOM 1140 CA PRO B 7 7.444 -4.805 -1.666 1.00 0.00 C ATOM 1141 C PRO B 7 6.497 -4.338 -0.536 1.00 0.00 C ATOM 1142 O PRO B 7 6.160 -5.118 0.332 1.00 0.00 O ATOM 1143 CB PRO B 7 6.680 -5.026 -2.995 1.00 0.00 C ATOM 1144 CG PRO B 7 6.796 -6.537 -3.356 1.00 0.00 C ATOM 1145 CD PRO B 7 7.607 -7.225 -2.235 1.00 0.00 C ATOM 0 HA PRO B 7 8.206 -4.033 -1.773 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.635 -4.736 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.103 -4.409 -3.788 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.807 -6.987 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.290 -6.664 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.008 -7.972 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.480 -7.740 -2.637 1.00 0.00 H new ATOM 1153 N PRO B 8 6.090 -3.084 -0.577 1.00 0.00 N ATOM 1154 CA PRO B 8 5.180 -2.532 0.448 1.00 0.00 C ATOM 1155 C PRO B 8 3.835 -3.274 0.411 1.00 0.00 C ATOM 1156 O PRO B 8 3.737 -4.380 -0.082 1.00 0.00 O ATOM 1157 CB PRO B 8 5.010 -1.041 0.064 1.00 0.00 C ATOM 1158 CG PRO B 8 5.730 -0.826 -1.298 1.00 0.00 C ATOM 1159 CD PRO B 8 6.497 -2.126 -1.628 1.00 0.00 C ATOM 0 HA PRO B 8 5.567 -2.643 1.461 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.954 -0.783 -0.015 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.439 -0.396 0.831 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.008 -0.598 -2.082 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.416 0.019 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.240 -2.496 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.575 -1.963 -1.618 1.00 0.00 H new ATOM 1167 N THR B 9 2.798 -2.667 0.932 1.00 0.00 N ATOM 1168 CA THR B 9 1.459 -3.327 0.930 1.00 0.00 C ATOM 1169 C THR B 9 0.363 -2.264 0.938 1.00 0.00 C ATOM 1170 O THR B 9 0.356 -1.366 1.757 1.00 0.00 O ATOM 1171 CB THR B 9 1.319 -4.202 2.175 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.481 -5.006 2.320 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.086 -5.098 2.038 1.00 0.00 C ATOM 0 H THR B 9 2.822 -1.741 1.359 1.00 0.00 H new ATOM 0 HA THR B 9 1.364 -3.943 0.036 1.00 0.00 H new ATOM 0 HB THR B 9 1.205 -3.568 3.054 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.492 -5.406 3.215 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.012 -5.721 2.927 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.804 -4.478 1.930 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.194 -5.734 1.159 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.565 -2.362 0.031 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.668 -1.367 -0.026 1.00 0.00 C ATOM 1183 C ALA B 10 -2.581 -1.539 1.188 1.00 0.00 C ATOM 1184 O ALA B 10 -3.623 -2.158 1.107 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.475 -1.591 -1.305 1.00 0.00 C ATOM 0 H ALA B 10 -0.607 -3.094 -0.678 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.252 -0.359 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.287 -0.865 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.825 -1.469 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.890 -2.599 -1.302 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.202 -0.984 2.312 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.045 -1.095 3.545 1.00 0.00 C ATOM 1193 C CYS B 11 -3.667 0.272 3.839 1.00 0.00 C ATOM 1194 O CYS B 11 -3.008 1.291 3.765 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.166 -1.520 4.726 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.347 -3.088 4.338 1.00 0.00 S ATOM 0 H CYS B 11 -1.338 -0.454 2.430 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.830 -1.837 3.395 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.422 -0.751 4.934 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.773 -1.628 5.625 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.930 0.304 4.159 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.590 1.609 4.444 1.00 0.00 C ATOM 1203 C CYS B 12 -5.084 2.159 5.779 1.00 0.00 C ATOM 1204 O CYS B 12 -4.917 1.433 6.739 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.108 1.412 4.516 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.723 0.860 2.905 1.00 0.00 S ATOM 0 H CYS B 12 -5.533 -0.515 4.236 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.353 2.314 3.648 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.354 0.677 5.282 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.593 2.345 4.802 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.847 3.444 5.848 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.357 4.064 7.118 1.00 0.00 C ATOM 1213 C PHE B 13 -5.535 4.760 7.805 1.00 0.00 C ATOM 1214 O PHE B 13 -5.504 5.050 8.984 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.273 5.098 6.791 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.894 6.266 6.063 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.199 6.159 4.693 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.178 7.458 6.758 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.786 7.243 4.017 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.769 8.543 6.082 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.073 8.436 4.711 1.00 0.00 C ATOM 0 H PHE B 13 -4.973 4.096 5.074 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.940 3.300 7.774 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.794 5.441 7.708 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.496 4.644 6.176 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.982 5.244 4.161 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.943 7.540 7.809 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.017 7.162 2.965 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -4.989 9.456 6.615 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.526 9.268 4.192 1.00 0.00 H new ATOM 1231 N SER B 14 -6.573 5.024 7.061 1.00 0.00 N ATOM 1232 CA SER B 14 -7.769 5.699 7.638 1.00 0.00 C ATOM 1233 C SER B 14 -8.986 5.344 6.786 1.00 0.00 C ATOM 1234 O SER B 14 -9.015 4.322 6.130 1.00 0.00 O ATOM 1235 CB SER B 14 -7.558 7.213 7.626 1.00 0.00 C ATOM 1236 OG SER B 14 -7.378 7.652 6.286 1.00 0.00 O ATOM 0 H SER B 14 -6.644 4.799 6.069 1.00 0.00 H new ATOM 0 HA SER B 14 -7.924 5.370 8.666 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.416 7.715 8.073 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.687 7.475 8.227 1.00 0.00 H new ATOM 0 HG SER B 14 -6.423 7.644 6.065 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.997 6.170 6.786 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.209 5.859 5.970 1.00 0.00 C ATOM 1244 C TYR B 15 -11.942 7.152 5.622 1.00 0.00 C ATOM 1245 O TYR B 15 -11.742 8.180 6.241 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.146 4.943 6.771 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.337 3.914 7.525 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.985 2.701 6.904 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.936 4.170 8.850 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.230 1.744 7.610 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.181 3.213 9.554 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.828 2.000 8.935 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.088 1.062 9.625 1.00 0.00 O ATOM 0 H TYR B 15 -10.038 7.043 7.312 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.904 5.357 5.052 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.739 5.535 7.468 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.846 4.447 6.099 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.293 2.504 5.888 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.208 5.100 9.326 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.959 0.813 7.134 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.873 3.410 10.570 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.893 1.397 10.525 1.00 0.00 H new ATOM 1263 N THR B 16 -12.798 7.106 4.640 1.00 0.00 N ATOM 1264 CA THR B 16 -13.553 8.330 4.258 1.00 0.00 C ATOM 1265 C THR B 16 -14.383 8.793 5.458 1.00 0.00 C ATOM 1266 O THR B 16 -14.154 8.377 6.577 1.00 0.00 O ATOM 1267 CB THR B 16 -14.463 8.022 3.063 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.286 9.145 2.787 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.340 6.809 3.376 1.00 0.00 C ATOM 0 H THR B 16 -13.007 6.275 4.087 1.00 0.00 H new ATOM 0 HA THR B 16 -12.862 9.123 3.971 1.00 0.00 H new ATOM 0 HB THR B 16 -13.845 7.803 2.192 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.865 8.946 2.022 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.984 6.596 2.523 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.707 5.945 3.578 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.955 7.021 4.251 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.346 9.645 5.240 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.192 10.134 6.368 1.00 0.00 C ATOM 1279 C ALA B 17 -17.623 10.312 5.866 1.00 0.00 C ATOM 1280 O ALA B 17 -18.446 10.941 6.502 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.654 11.476 6.865 1.00 0.00 C ATOM 0 H ALA B 17 -15.586 10.026 4.325 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.172 9.415 7.187 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.272 11.833 7.689 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.627 11.351 7.209 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.679 12.202 6.052 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.925 9.756 4.722 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.300 9.878 4.154 1.00 0.00 C ATOM 1289 C ARG B 18 -19.681 8.561 3.475 1.00 0.00 C ATOM 1290 O ARG B 18 -18.980 8.073 2.611 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.325 11.004 3.116 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.219 12.369 3.817 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.474 12.641 4.678 1.00 0.00 C ATOM 1294 NE ARG B 18 -20.938 14.052 4.472 1.00 0.00 N ATOM 1295 CZ ARG B 18 -20.100 15.056 4.506 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -18.852 14.867 4.832 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -20.524 16.262 4.243 1.00 0.00 N ATOM 0 H ARG B 18 -17.272 9.218 4.152 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.007 10.102 4.953 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.500 10.881 2.414 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.247 10.955 2.536 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.329 12.392 4.446 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.105 13.157 3.073 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -21.268 11.945 4.409 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.247 12.474 5.731 1.00 0.00 H new ATOM 0 HE ARG B 18 -21.927 14.233 4.302 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -18.522 13.930 5.063 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -18.206 15.656 4.856 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -21.505 16.419 4.012 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -19.874 17.048 4.268 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.790 7.989 3.850 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.218 6.710 3.216 1.00 0.00 C ATOM 1313 C LYS B 19 -21.457 6.965 1.724 1.00 0.00 C ATOM 1314 O LYS B 19 -22.218 7.833 1.347 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.516 6.229 3.895 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.078 4.946 3.214 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.601 5.040 3.027 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.302 5.233 4.385 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.462 6.689 4.661 1.00 0.00 N ATOM 0 H LYS B 19 -21.419 8.351 4.567 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.453 5.943 3.332 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.323 6.027 4.949 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.264 7.021 3.854 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -22.598 4.804 2.246 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.836 4.073 3.820 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -24.841 5.873 2.366 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.971 4.134 2.546 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -26.277 4.745 4.376 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.718 4.764 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.413 6.867 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -24.748 6.991 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.337 7.225 3.779 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.807 6.216 0.873 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.996 6.421 -0.590 1.00 0.00 C ATOM 1335 C LEU B 20 -22.393 5.899 -1.001 1.00 0.00 C ATOM 1336 O LEU B 20 -22.661 4.730 -0.809 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.939 5.620 -1.363 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.567 5.766 -0.704 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.535 5.009 -1.539 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.173 7.243 -0.638 1.00 0.00 C ATOM 0 H LEU B 20 -20.156 5.474 1.128 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.903 7.483 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.223 4.568 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.892 5.969 -2.394 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.605 5.361 0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.552 5.106 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.810 3.955 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.506 5.425 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.195 7.338 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.132 7.654 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.912 7.791 -0.053 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.252 6.734 -1.568 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.582 6.260 -1.989 1.00 0.00 C ATOM 1354 C PRO B 21 -24.421 5.066 -2.933 1.00 0.00 C ATOM 1355 O PRO B 21 -23.492 5.007 -3.709 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.223 7.462 -2.720 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.297 8.689 -2.487 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.999 8.171 -1.832 1.00 0.00 C ATOM 0 HA PRO B 21 -25.199 5.928 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.326 7.254 -3.785 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.224 7.657 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.078 9.189 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.785 9.422 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.142 8.307 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.780 8.709 -0.910 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.323 4.126 -2.890 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.212 2.961 -3.811 1.00 0.00 C ATOM 1368 C ARG B 22 -25.004 3.480 -5.235 1.00 0.00 C ATOM 1369 O ARG B 22 -24.362 2.852 -6.052 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.491 2.131 -3.750 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.336 0.905 -4.661 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.539 -0.045 -4.499 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.063 -1.466 -4.488 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.212 -1.904 -5.379 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -25.865 -1.158 -6.390 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -25.740 -3.117 -5.281 1.00 0.00 N ATOM 0 H ARG B 22 -26.127 4.113 -2.262 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.370 2.335 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.687 1.816 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.344 2.730 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.255 1.225 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.414 0.378 -4.417 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.069 0.178 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.246 0.105 -5.315 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.410 -2.104 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -26.258 -0.222 -6.492 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -25.200 -1.510 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.035 -3.719 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.076 -3.463 -5.973 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.546 4.633 -5.529 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.387 5.212 -6.893 1.00 0.00 C ATOM 1392 C ASN B 23 -23.946 5.690 -7.087 1.00 0.00 C ATOM 1393 O ASN B 23 -23.640 6.387 -8.033 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.342 6.396 -7.056 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.160 7.011 -8.444 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -26.430 6.374 -9.444 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -25.711 8.231 -8.550 1.00 0.00 N ATOM 0 H ASN B 23 -26.093 5.199 -4.880 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.617 4.450 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.373 6.066 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.146 7.143 -6.287 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -25.587 8.650 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -25.484 8.766 -7.711 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.057 5.326 -6.196 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.630 5.766 -6.326 1.00 0.00 C ATOM 1406 C PHE B 24 -20.706 4.608 -5.936 1.00 0.00 C ATOM 1407 O PHE B 24 -19.616 4.809 -5.437 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.387 6.967 -5.393 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.179 7.762 -5.851 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.173 8.368 -7.126 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.063 7.908 -5.001 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.057 9.114 -7.546 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.947 8.656 -5.425 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.944 9.258 -6.696 1.00 0.00 C ATOM 0 H PHE B 24 -23.256 4.743 -5.383 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.422 6.059 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.268 7.609 -5.380 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.233 6.616 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.026 8.259 -7.779 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.064 7.446 -4.025 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.054 9.577 -8.522 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.093 8.767 -4.773 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.088 9.831 -7.020 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.132 3.396 -6.174 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.287 2.213 -5.838 1.00 0.00 C ATOM 1426 C VAL B 25 -20.585 1.106 -6.842 1.00 0.00 C ATOM 1427 O VAL B 25 -21.497 0.320 -6.680 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.598 1.731 -4.420 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.666 0.573 -4.057 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.377 2.879 -3.435 1.00 0.00 C ATOM 0 H VAL B 25 -22.036 3.173 -6.590 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.232 2.485 -5.885 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.634 1.396 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.888 0.230 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.814 -0.247 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.631 0.910 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.598 2.538 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.340 3.209 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.036 3.709 -3.690 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.817 1.062 -7.889 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.021 0.040 -8.948 1.00 0.00 C ATOM 1442 C VAL B 26 -19.266 -1.240 -8.581 1.00 0.00 C ATOM 1443 O VAL B 26 -19.503 -2.290 -9.145 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.484 0.619 -10.267 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -18.203 1.413 -9.986 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -19.183 -0.505 -11.266 1.00 0.00 C ATOM 0 H VAL B 26 -19.042 1.703 -8.059 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.078 -0.206 -9.050 1.00 0.00 H new ATOM 0 HB VAL B 26 -20.240 1.274 -10.699 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -17.819 1.825 -10.919 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -18.423 2.225 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -17.455 0.753 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.804 -0.076 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.435 -1.176 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -20.096 -1.063 -11.471 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.356 -1.162 -7.656 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.590 -2.378 -7.282 1.00 0.00 C ATOM 1458 C ASP B 27 -16.769 -2.089 -6.029 1.00 0.00 C ATOM 1459 O ASP B 27 -16.905 -1.049 -5.416 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.658 -2.749 -8.443 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.205 -4.204 -8.298 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.995 -5.082 -8.602 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.076 -4.413 -7.885 1.00 0.00 O ATOM 0 H ASP B 27 -18.110 -0.314 -7.145 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.270 -3.206 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.173 -2.612 -9.394 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.792 -2.088 -8.452 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.917 -2.995 -5.639 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.096 -2.754 -4.423 1.00 0.00 C ATOM 1470 C TYR B 28 -13.831 -3.605 -4.462 1.00 0.00 C ATOM 1471 O TYR B 28 -13.547 -4.291 -5.423 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.910 -3.082 -3.165 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.068 -4.582 -3.003 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.774 -5.330 -3.967 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.517 -5.230 -1.879 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.927 -6.720 -3.808 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.671 -6.619 -1.718 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.376 -7.365 -2.682 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.527 -8.728 -2.527 1.00 0.00 O ATOM 0 H TYR B 28 -15.755 -3.887 -6.107 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.811 -1.702 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.415 -2.667 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.892 -2.613 -3.229 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.198 -4.836 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.975 -4.659 -1.140 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.466 -7.292 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.249 -7.113 -0.855 1.00 0.00 H new ATOM 0 HH TYR B 28 -16.087 -9.014 -1.699 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.067 -3.542 -3.415 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.802 -4.311 -3.347 1.00 0.00 C ATOM 1491 C TYR B 29 -11.377 -4.397 -1.876 1.00 0.00 C ATOM 1492 O TYR B 29 -11.512 -3.449 -1.135 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.744 -3.571 -4.184 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.348 -3.990 -3.777 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.984 -5.346 -3.817 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.415 -3.021 -3.352 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.688 -5.740 -3.434 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.119 -3.413 -2.969 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.755 -4.773 -3.009 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.484 -5.159 -2.633 1.00 0.00 O ATOM 0 H TYR B 29 -13.270 -2.980 -2.588 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.921 -5.320 -3.742 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.898 -3.782 -5.242 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.858 -2.495 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.699 -6.087 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.695 -1.979 -3.321 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.409 -6.783 -3.466 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.404 -2.672 -2.645 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.967 -4.370 -2.368 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.866 -5.518 -1.443 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.436 -5.638 -0.014 1.00 0.00 C ATOM 1512 C GLU B 30 -8.936 -5.344 0.085 1.00 0.00 C ATOM 1513 O GLU B 30 -8.203 -5.477 -0.874 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.715 -7.054 0.487 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.218 -7.332 0.429 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.642 -7.541 -1.025 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.557 -8.666 -1.491 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.045 -6.574 -1.649 1.00 0.00 O ATOM 0 H GLU B 30 -10.727 -6.354 -2.011 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.990 -4.926 0.597 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.177 -7.779 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.353 -7.167 1.509 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.458 -8.216 1.020 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.770 -6.499 0.864 1.00 0.00 H new ATOM 1525 N THR B 31 -8.478 -4.935 1.235 1.00 0.00 N ATOM 1526 CA THR B 31 -7.027 -4.619 1.398 1.00 0.00 C ATOM 1527 C THR B 31 -6.205 -5.908 1.406 1.00 0.00 C ATOM 1528 O THR B 31 -6.684 -6.970 1.058 1.00 0.00 O ATOM 1529 CB THR B 31 -6.822 -3.886 2.723 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.545 -4.560 3.734 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.322 -2.446 2.593 1.00 0.00 C ATOM 0 H THR B 31 -9.046 -4.805 2.072 1.00 0.00 H new ATOM 0 HA THR B 31 -6.701 -3.993 0.567 1.00 0.00 H new ATOM 0 HB THR B 31 -5.763 -3.870 2.981 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.611 -5.512 3.510 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.176 -1.923 3.538 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.765 -1.937 1.807 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.383 -2.450 2.341 1.00 0.00 H new ATOM 1539 N SER B 32 -4.967 -5.814 1.805 1.00 0.00 N ATOM 1540 CA SER B 32 -4.094 -7.019 1.847 1.00 0.00 C ATOM 1541 C SER B 32 -4.334 -7.780 3.150 1.00 0.00 C ATOM 1542 O SER B 32 -5.419 -7.774 3.698 1.00 0.00 O ATOM 1543 CB SER B 32 -2.632 -6.581 1.779 1.00 0.00 C ATOM 1544 OG SER B 32 -2.436 -5.773 0.626 1.00 0.00 O ATOM 0 H SER B 32 -4.520 -4.948 2.106 1.00 0.00 H new ATOM 0 HA SER B 32 -4.325 -7.667 1.002 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.365 -6.024 2.677 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.980 -7.454 1.740 1.00 0.00 H new ATOM 0 HG SER B 32 -1.768 -6.191 0.043 1.00 0.00 H new ATOM 1550 N SER B 33 -3.322 -8.436 3.648 1.00 0.00 N ATOM 1551 CA SER B 33 -3.460 -9.210 4.919 1.00 0.00 C ATOM 1552 C SER B 33 -2.203 -9.000 5.756 1.00 0.00 C ATOM 1553 O SER B 33 -2.251 -8.933 6.969 1.00 0.00 O ATOM 1554 CB SER B 33 -3.594 -10.692 4.589 1.00 0.00 C ATOM 1555 OG SER B 33 -2.302 -11.237 4.346 1.00 0.00 O ATOM 0 H SER B 33 -2.394 -8.470 3.225 1.00 0.00 H new ATOM 0 HA SER B 33 -4.339 -8.874 5.469 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.074 -11.218 5.414 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.229 -10.826 3.713 1.00 0.00 H new ATOM 0 HG SER B 33 -2.384 -12.191 4.135 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.079 -8.902 5.102 1.00 0.00 N ATOM 1562 CA LEU B 34 0.217 -8.697 5.814 1.00 0.00 C ATOM 1563 C LEU B 34 0.035 -7.716 6.972 1.00 0.00 C ATOM 1564 O LEU B 34 0.328 -8.017 8.112 1.00 0.00 O ATOM 1565 CB LEU B 34 1.249 -8.126 4.839 1.00 0.00 C ATOM 1566 CG LEU B 34 1.170 -8.858 3.498 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.327 -8.400 2.603 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.266 -10.369 3.730 1.00 0.00 C ATOM 0 H LEU B 34 -1.001 -8.956 4.086 1.00 0.00 H new ATOM 0 HA LEU B 34 0.559 -9.656 6.204 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.070 -7.061 4.691 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.250 -8.226 5.258 1.00 0.00 H new ATOM 0 HG LEU B 34 0.221 -8.630 3.013 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.274 -8.919 1.646 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.255 -7.325 2.437 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.275 -8.629 3.089 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.209 -10.888 2.773 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.214 -10.603 4.215 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.443 -10.692 4.367 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.444 -6.541 6.683 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.642 -5.536 7.761 1.00 0.00 C ATOM 1582 C CYS B 35 -1.796 -5.988 8.663 1.00 0.00 C ATOM 1583 O CYS B 35 -2.856 -6.347 8.200 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.961 -4.171 7.139 1.00 0.00 C ATOM 1585 SG CYS B 35 -2.059 -4.386 5.715 1.00 0.00 S ATOM 0 H CYS B 35 -0.707 -6.233 5.747 1.00 0.00 H new ATOM 0 HA CYS B 35 0.267 -5.447 8.356 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.433 -3.525 7.879 1.00 0.00 H new ATOM 0 HB3 CYS B 35 -0.040 -3.679 6.828 1.00 0.00 H new ATOM 1590 N SER B 36 -1.580 -6.001 9.949 1.00 0.00 N ATOM 1591 CA SER B 36 -2.648 -6.446 10.894 1.00 0.00 C ATOM 1592 C SER B 36 -3.839 -5.474 10.893 1.00 0.00 C ATOM 1593 O SER B 36 -4.484 -5.295 11.907 1.00 0.00 O ATOM 1594 CB SER B 36 -2.067 -6.526 12.305 1.00 0.00 C ATOM 1595 OG SER B 36 -1.044 -7.512 12.336 1.00 0.00 O ATOM 0 H SER B 36 -0.704 -5.721 10.391 1.00 0.00 H new ATOM 0 HA SER B 36 -3.005 -7.424 10.571 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.664 -5.557 12.600 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.851 -6.776 13.020 1.00 0.00 H new ATOM 0 HG SER B 36 -0.668 -7.565 13.239 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.150 -4.837 9.790 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.310 -3.889 9.799 1.00 0.00 C ATOM 1603 C GLN B 37 -5.911 -3.738 8.393 1.00 0.00 C ATOM 1604 O GLN B 37 -5.859 -2.667 7.825 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.834 -2.519 10.294 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.526 -2.143 9.593 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.078 -0.756 10.059 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -1.994 -0.599 10.582 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.874 0.265 9.887 1.00 0.00 N ATOM 0 H GLN B 37 -3.662 -4.929 8.899 1.00 0.00 H new ATOM 0 HA GLN B 37 -6.079 -4.287 10.462 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.595 -1.765 10.094 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.685 -2.543 11.374 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.755 -2.880 9.818 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.666 -2.148 8.512 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -4.785 0.133 9.447 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.585 1.194 10.192 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.488 -4.801 7.874 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.121 -4.760 6.542 1.00 0.00 C ATOM 1620 C PRO B 38 -8.373 -3.870 6.607 1.00 0.00 C ATOM 1621 O PRO B 38 -8.690 -3.294 7.628 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.497 -6.230 6.237 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.226 -7.056 7.529 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.552 -6.114 8.553 1.00 0.00 C ATOM 0 HA PRO B 38 -6.472 -4.348 5.769 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.544 -6.306 5.945 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.906 -6.613 5.405 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.157 -7.455 7.931 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.582 -7.908 7.311 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.130 -6.054 9.476 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.557 -6.469 8.822 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.078 -3.766 5.521 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.307 -2.937 5.485 1.00 0.00 C ATOM 1634 C ALA B 39 -10.988 -3.175 4.141 1.00 0.00 C ATOM 1635 O ALA B 39 -10.430 -3.807 3.267 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.938 -1.458 5.620 1.00 0.00 C ATOM 0 H ALA B 39 -8.850 -4.229 4.641 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.973 -3.205 6.305 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.844 -0.853 5.593 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.422 -1.297 6.567 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.284 -1.169 4.797 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.171 -2.657 3.948 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.857 -2.842 2.633 1.00 0.00 C ATOM 1644 C VAL B 40 -12.639 -1.573 1.818 1.00 0.00 C ATOM 1645 O VAL B 40 -12.631 -0.480 2.349 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.358 -3.076 2.855 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.120 -2.861 1.542 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.575 -4.513 3.324 1.00 0.00 C ATOM 0 H VAL B 40 -12.691 -2.116 4.639 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.453 -3.707 2.107 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.724 -2.375 3.605 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.184 -3.029 1.707 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.963 -1.840 1.193 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.755 -3.561 0.791 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.639 -4.687 3.484 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.204 -5.203 2.566 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -14.036 -4.676 4.257 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.454 -1.714 0.533 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.218 -0.522 -0.343 1.00 0.00 C ATOM 1660 C VAL B 41 -13.312 -0.452 -1.411 1.00 0.00 C ATOM 1661 O VAL B 41 -13.454 -1.337 -2.223 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.840 -0.650 -1.002 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.363 0.720 -1.478 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.843 -1.199 0.022 1.00 0.00 C ATOM 0 H VAL B 41 -12.456 -2.610 0.046 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.247 0.391 0.252 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.910 -1.325 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.383 0.622 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.072 1.121 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.293 1.397 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.861 -1.292 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.781 -0.518 0.871 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.177 -2.178 0.366 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.100 0.591 -1.409 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.196 0.700 -2.417 1.00 0.00 C ATOM 1676 C PHE B 42 -14.699 1.411 -3.676 1.00 0.00 C ATOM 1677 O PHE B 42 -14.045 2.433 -3.614 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.358 1.500 -1.822 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.105 0.645 -0.826 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.845 -0.466 -1.273 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.069 0.961 0.545 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.548 -1.262 -0.349 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.771 0.166 1.468 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.511 -0.946 1.022 1.00 0.00 C ATOM 0 H PHE B 42 -14.033 1.371 -0.755 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.526 -0.305 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.981 2.399 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.032 1.826 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.873 -0.708 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.502 1.814 0.888 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.115 -2.115 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.743 0.408 2.520 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.050 -1.556 1.732 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.040 0.883 -4.821 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.635 1.517 -6.109 1.00 0.00 C ATOM 1696 C GLN B 43 -15.832 2.326 -6.612 1.00 0.00 C ATOM 1697 O GLN B 43 -16.910 1.791 -6.781 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.281 0.417 -7.110 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.039 -0.334 -6.625 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.892 -1.639 -7.409 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.404 -2.622 -6.889 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.297 -1.690 -8.648 1.00 0.00 N ATOM 0 H GLN B 43 -15.589 0.029 -4.920 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.768 2.166 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.117 -0.274 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.096 0.851 -8.093 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.152 0.285 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.122 -0.545 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.707 -0.865 -9.085 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.204 -2.555 -9.180 1.00 0.00 H new ATOM 1711 N THR B 44 -15.682 3.618 -6.811 1.00 0.00 N ATOM 1712 CA THR B 44 -16.863 4.442 -7.250 1.00 0.00 C ATOM 1713 C THR B 44 -16.863 4.684 -8.757 1.00 0.00 C ATOM 1714 O THR B 44 -16.098 4.109 -9.505 1.00 0.00 O ATOM 1715 CB THR B 44 -16.832 5.797 -6.546 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.947 6.661 -7.240 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.353 5.614 -5.105 1.00 0.00 C ATOM 0 H THR B 44 -14.809 4.132 -6.691 1.00 0.00 H new ATOM 0 HA THR B 44 -17.762 3.885 -6.988 1.00 0.00 H new ATOM 0 HB THR B 44 -17.832 6.231 -6.537 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.253 7.587 -7.145 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.331 6.581 -4.603 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.034 4.947 -4.577 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.352 5.183 -5.106 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.750 5.544 -9.190 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.876 5.872 -10.638 1.00 0.00 C ATOM 1727 C LYS B 45 -17.090 7.149 -10.960 1.00 0.00 C ATOM 1728 O LYS B 45 -16.798 7.426 -12.106 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.355 6.096 -10.957 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.185 5.023 -10.255 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.630 5.090 -10.749 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.406 3.883 -10.221 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.656 4.050 -8.763 1.00 0.00 N ATOM 0 H LYS B 45 -18.404 6.041 -8.586 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.477 5.052 -11.235 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.665 7.087 -10.627 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.518 6.053 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.767 4.036 -10.455 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.151 5.171 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.099 6.014 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.653 5.102 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -23.352 3.785 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.842 2.968 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -23.623 3.739 -8.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -21.975 3.476 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -22.545 5.051 -8.504 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.746 7.933 -9.963 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.981 9.195 -10.226 1.00 0.00 C ATOM 1749 C ARG B 46 -14.915 9.368 -9.141 1.00 0.00 C ATOM 1750 O ARG B 46 -14.889 10.341 -8.419 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.941 10.402 -10.221 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.346 11.588 -11.017 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.231 12.294 -10.229 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.665 12.548 -8.814 1.00 0.00 N ATOM 1755 CZ ARG B 46 -16.762 13.205 -8.536 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -17.414 13.835 -9.473 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -17.174 13.279 -7.300 1.00 0.00 N ATOM 0 H ARG B 46 -16.961 7.754 -8.982 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.501 9.136 -11.203 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.898 10.112 -10.655 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.137 10.711 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -15.950 11.228 -11.966 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.135 12.302 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -14.330 11.681 -10.234 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.978 13.237 -10.713 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.089 12.199 -8.048 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -17.070 13.819 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -18.268 14.344 -9.246 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.642 12.826 -6.557 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -18.028 13.790 -7.077 1.00 0.00 H new ATOM 1771 N SER B 47 -14.032 8.428 -9.030 1.00 0.00 N ATOM 1772 CA SER B 47 -12.951 8.532 -8.026 1.00 0.00 C ATOM 1773 C SER B 47 -11.952 7.415 -8.303 1.00 0.00 C ATOM 1774 O SER B 47 -11.383 7.327 -9.372 1.00 0.00 O ATOM 1775 CB SER B 47 -13.518 8.414 -6.602 1.00 0.00 C ATOM 1776 OG SER B 47 -13.888 7.068 -6.342 1.00 0.00 O ATOM 0 H SER B 47 -14.012 7.582 -9.599 1.00 0.00 H new ATOM 0 HA SER B 47 -12.461 9.503 -8.098 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.774 8.743 -5.876 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.384 9.067 -6.490 1.00 0.00 H new ATOM 0 HG SER B 47 -14.765 6.887 -6.740 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.760 6.555 -7.364 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.829 5.419 -7.555 1.00 0.00 C ATOM 1784 C LYS B 48 -11.229 4.346 -6.558 1.00 0.00 C ATOM 1785 O LYS B 48 -12.155 3.589 -6.778 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.389 5.866 -7.281 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.918 6.818 -8.384 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.395 6.958 -8.325 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.916 7.832 -9.485 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.430 7.779 -9.564 1.00 0.00 N ATOM 0 H LYS B 48 -12.215 6.587 -6.452 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.880 5.046 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.331 6.362 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.732 4.997 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.221 6.438 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.388 7.794 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.097 7.401 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.927 5.975 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.353 7.485 -10.421 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.247 8.860 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -5.103 8.373 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.022 8.130 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.125 6.797 -9.721 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.552 4.312 -5.444 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.871 3.327 -4.373 1.00 0.00 C ATOM 1806 C GLN B 49 -11.025 4.108 -3.059 1.00 0.00 C ATOM 1807 O GLN B 49 -10.325 5.076 -2.819 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.730 2.283 -4.266 1.00 0.00 C ATOM 1809 CG GLN B 49 -8.856 2.327 -5.524 1.00 0.00 C ATOM 1810 CD GLN B 49 -7.834 1.190 -5.477 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -6.647 1.427 -5.371 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.248 -0.046 -5.551 1.00 0.00 N ATOM 0 H GLN B 49 -9.776 4.938 -5.227 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.792 2.789 -4.596 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.122 2.486 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.150 1.285 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.478 2.235 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.344 3.287 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.244 -0.246 -5.640 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.575 -0.812 -5.520 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.944 3.711 -2.217 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.159 4.435 -0.924 1.00 0.00 C ATOM 1823 C VAL B 50 -12.172 3.431 0.218 1.00 0.00 C ATOM 1824 O VAL B 50 -12.971 2.521 0.241 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.501 5.174 -0.972 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.578 6.164 0.192 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.617 5.922 -2.305 1.00 0.00 C ATOM 0 H VAL B 50 -12.559 2.912 -2.369 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.355 5.154 -0.768 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.320 4.460 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.532 6.690 0.159 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.494 5.624 1.135 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.763 6.884 0.112 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.570 6.450 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.801 6.640 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.562 5.209 -3.128 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.294 3.593 1.166 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.245 2.642 2.306 1.00 0.00 C ATOM 1839 C CYS B 51 -12.461 2.866 3.199 1.00 0.00 C ATOM 1840 O CYS B 51 -12.971 3.963 3.309 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.966 2.885 3.110 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.523 2.521 2.078 1.00 0.00 S ATOM 0 H CYS B 51 -10.607 4.346 1.199 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.251 1.617 1.934 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.930 3.919 3.452 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.958 2.255 3.999 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.942 1.825 3.826 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.142 1.960 4.705 1.00 0.00 C ATOM 1849 C ALA B 52 -13.973 1.075 5.941 1.00 0.00 C ATOM 1850 O ALA B 52 -13.556 -0.064 5.853 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.383 1.512 3.930 1.00 0.00 C ATOM 0 H ALA B 52 -12.554 0.883 3.767 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.253 2.999 5.015 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.263 1.608 4.566 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.505 2.137 3.045 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.266 0.472 3.626 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.293 1.595 7.095 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.156 0.792 8.343 1.00 0.00 C ATOM 1859 C ASP B 53 -15.188 -0.362 8.324 1.00 0.00 C ATOM 1860 O ASP B 53 -16.371 -0.089 8.294 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.446 1.692 9.547 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.661 2.997 9.412 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.809 3.653 8.394 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -12.925 3.320 10.330 1.00 0.00 O ATOM 0 H ASP B 53 -14.644 2.543 7.227 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.147 0.386 8.410 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.514 1.903 9.608 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.169 1.183 10.470 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.754 -1.619 8.340 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.711 -2.746 8.321 1.00 0.00 C ATOM 1871 C PRO B 54 -16.626 -2.685 9.555 1.00 0.00 C ATOM 1872 O PRO B 54 -17.578 -3.432 9.669 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.836 -4.020 8.340 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.347 -3.570 8.369 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.327 -2.025 8.373 1.00 0.00 C ATOM 0 HA PRO B 54 -16.363 -2.722 7.448 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -15.068 -4.631 9.213 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -15.033 -4.633 7.460 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.846 -3.962 9.254 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.813 -3.958 7.502 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.828 -1.640 9.262 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.786 -1.636 7.510 1.00 0.00 H new ATOM 1883 N SER B 55 -16.337 -1.815 10.479 1.00 0.00 N ATOM 1884 CA SER B 55 -17.179 -1.722 11.707 1.00 0.00 C ATOM 1885 C SER B 55 -18.474 -0.965 11.397 1.00 0.00 C ATOM 1886 O SER B 55 -19.429 -1.025 12.146 1.00 0.00 O ATOM 1887 CB SER B 55 -16.406 -0.979 12.797 1.00 0.00 C ATOM 1888 OG SER B 55 -15.088 -1.503 12.880 1.00 0.00 O ATOM 0 H SER B 55 -15.554 -1.163 10.439 1.00 0.00 H new ATOM 0 HA SER B 55 -17.425 -2.727 12.049 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.372 0.087 12.572 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.913 -1.087 13.756 1.00 0.00 H new ATOM 0 HG SER B 55 -14.590 -1.027 13.577 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.519 -0.257 10.302 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.760 0.498 9.954 1.00 0.00 C ATOM 1896 C GLU B 56 -20.762 -0.453 9.287 1.00 0.00 C ATOM 1897 O GLU B 56 -20.490 -1.057 8.269 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.406 1.642 9.002 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.834 2.821 9.796 1.00 0.00 C ATOM 1900 CD GLU B 56 -19.958 3.503 10.578 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.019 3.694 10.007 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.739 3.822 11.735 1.00 0.00 O ATOM 0 H GLU B 56 -17.754 -0.168 9.634 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.208 0.912 10.857 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.679 1.302 8.265 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.293 1.958 8.453 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.061 2.471 10.480 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.363 3.534 9.120 1.00 0.00 H new ATOM 1909 N SER B 57 -21.914 -0.596 9.877 1.00 0.00 N ATOM 1910 CA SER B 57 -22.955 -1.510 9.324 1.00 0.00 C ATOM 1911 C SER B 57 -23.202 -1.253 7.833 1.00 0.00 C ATOM 1912 O SER B 57 -23.374 -2.177 7.065 1.00 0.00 O ATOM 1913 CB SER B 57 -24.261 -1.304 10.091 1.00 0.00 C ATOM 1914 OG SER B 57 -24.046 -1.583 11.468 1.00 0.00 O ATOM 0 H SER B 57 -22.184 -0.111 10.733 1.00 0.00 H new ATOM 0 HA SER B 57 -22.599 -2.534 9.436 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.612 -0.280 9.966 1.00 0.00 H new ATOM 0 HB3 SER B 57 -25.037 -1.957 9.693 1.00 0.00 H new ATOM 0 HG SER B 57 -24.881 -1.450 11.963 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.251 -0.017 7.413 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.521 0.249 5.971 1.00 0.00 C ATOM 1922 C TRP B 58 -22.450 -0.419 5.114 1.00 0.00 C ATOM 1923 O TRP B 58 -22.701 -0.827 3.999 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.592 1.759 5.706 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.234 2.387 5.665 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.711 3.158 6.646 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.242 2.357 4.595 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.466 3.608 6.247 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.125 3.136 4.997 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.201 1.736 3.325 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.005 3.294 4.172 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.077 1.894 2.489 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -18.979 2.671 2.913 1.00 0.00 C ATOM 0 H TRP B 58 -23.118 0.809 7.997 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.488 -0.176 5.702 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.102 1.937 4.759 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.188 2.236 6.484 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.188 3.385 7.588 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.871 4.216 6.810 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.036 1.137 2.994 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.167 3.891 4.501 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.057 1.418 1.520 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.119 2.787 2.270 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.265 -0.562 5.630 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.196 -1.228 4.840 1.00 0.00 C ATOM 1946 C VAL B 59 -20.545 -2.702 4.677 1.00 0.00 C ATOM 1947 O VAL B 59 -20.476 -3.251 3.597 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.865 -1.084 5.576 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.754 -1.784 4.790 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.551 0.403 5.714 1.00 0.00 C ATOM 0 H VAL B 59 -20.990 -0.248 6.561 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.113 -0.766 3.856 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.931 -1.545 6.562 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.809 -1.676 5.322 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.993 -2.842 4.686 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.668 -1.333 3.802 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.603 0.528 6.238 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.481 0.853 4.724 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.345 0.892 6.279 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.933 -3.345 5.739 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.299 -4.785 5.633 1.00 0.00 C ATOM 1962 C GLN B 60 -22.515 -4.930 4.715 1.00 0.00 C ATOM 1963 O GLN B 60 -22.600 -5.843 3.918 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.637 -5.330 7.022 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.377 -5.328 7.890 1.00 0.00 C ATOM 1966 CD GLN B 60 -19.453 -6.467 7.454 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -19.902 -7.566 7.199 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -18.170 -6.248 7.356 1.00 0.00 N ATOM 0 H GLN B 60 -21.013 -2.940 6.672 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.461 -5.347 5.220 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.412 -4.719 7.485 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.034 -6.342 6.941 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.861 -4.372 7.798 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.646 -5.446 8.940 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -17.792 -5.325 7.570 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -17.545 -7.000 7.065 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.457 -4.036 4.826 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.672 -4.114 3.965 1.00 0.00 C ATOM 1979 C GLU B 61 -24.285 -3.910 2.498 1.00 0.00 C ATOM 1980 O GLU B 61 -24.667 -4.673 1.633 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.665 -3.028 4.386 1.00 0.00 C ATOM 1982 CG GLU B 61 -27.010 -3.271 3.699 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.679 -4.506 4.304 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.490 -4.738 5.487 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.369 -5.199 3.575 1.00 0.00 O ATOM 0 H GLU B 61 -23.439 -3.252 5.478 1.00 0.00 H new ATOM 0 HA GLU B 61 -25.131 -5.096 4.081 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.791 -3.036 5.469 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.280 -2.044 4.117 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -27.654 -2.400 3.820 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.863 -3.412 2.628 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.535 -2.883 2.211 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.127 -2.625 0.800 1.00 0.00 C ATOM 1994 C TYR B 62 -22.274 -3.792 0.291 1.00 0.00 C ATOM 1995 O TYR B 62 -22.355 -4.172 -0.861 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.319 -1.317 0.722 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.250 -0.116 0.669 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.276 0.039 1.625 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.086 0.851 -0.345 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.131 1.156 1.564 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.942 1.967 -0.403 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.965 2.119 0.551 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.804 3.214 0.493 1.00 0.00 O ATOM 0 H TYR B 62 -23.186 -2.210 2.893 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.018 -2.531 0.179 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.662 -1.237 1.588 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.681 -1.329 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.405 -0.699 2.403 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.302 0.735 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.916 1.274 2.296 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.814 2.706 -1.180 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.551 3.780 -0.266 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.468 -4.370 1.136 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.631 -5.514 0.692 1.00 0.00 C ATOM 2015 C VAL B 63 -21.560 -6.667 0.342 1.00 0.00 C ATOM 2016 O VAL B 63 -21.384 -7.351 -0.644 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.683 -5.923 1.826 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -19.055 -7.288 1.524 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.572 -4.875 1.957 1.00 0.00 C ATOM 0 H VAL B 63 -21.354 -4.099 2.113 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.033 -5.240 -0.177 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.247 -5.988 2.756 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.384 -7.568 2.336 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.841 -8.037 1.429 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.493 -7.232 0.592 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.895 -5.161 2.762 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.017 -4.814 1.021 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.013 -3.904 2.181 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.556 -6.880 1.151 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.509 -7.980 0.880 1.00 0.00 C ATOM 2031 C TYR B 64 -24.238 -7.701 -0.432 1.00 0.00 C ATOM 2032 O TYR B 64 -24.432 -8.577 -1.250 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.526 -8.057 2.024 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.205 -9.408 2.017 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.507 -10.549 2.457 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.536 -9.528 1.569 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.138 -11.808 2.451 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.167 -10.787 1.563 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.468 -11.926 2.003 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.086 -13.160 1.997 1.00 0.00 O ATOM 0 H TYR B 64 -22.750 -6.335 1.991 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.972 -8.925 0.804 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -24.025 -7.896 2.979 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.268 -7.266 1.916 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.487 -10.459 2.799 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.072 -8.654 1.230 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.602 -12.682 2.790 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.187 -10.878 1.221 1.00 0.00 H new ATOM 0 HH TYR B 64 -28.001 -13.066 1.660 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.642 -6.482 -0.630 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.369 -6.121 -1.880 1.00 0.00 C ATOM 2052 C ASP B 65 -24.470 -6.374 -3.093 1.00 0.00 C ATOM 2053 O ASP B 65 -24.928 -6.772 -4.146 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.751 -4.639 -1.822 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.978 -4.457 -0.925 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.341 -5.406 -0.251 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.533 -3.370 -0.928 1.00 0.00 O ATOM 0 H ASP B 65 -24.500 -5.712 0.024 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.268 -6.731 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.917 -4.053 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.964 -4.269 -2.825 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.196 -6.143 -2.955 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.267 -6.366 -4.097 1.00 0.00 C ATOM 2064 C LEU B 66 -22.097 -7.870 -4.334 1.00 0.00 C ATOM 2065 O LEU B 66 -21.872 -8.312 -5.443 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.909 -5.731 -3.764 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.951 -4.210 -4.034 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.852 -3.511 -3.229 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.717 -3.924 -5.527 1.00 0.00 C ATOM 0 H LEU B 66 -22.756 -5.808 -2.098 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.672 -5.910 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.659 -5.916 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.126 -6.193 -4.365 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.931 -3.836 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.885 -2.439 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.008 -3.693 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.879 -3.903 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.750 -2.848 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.742 -4.310 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.494 -4.411 -6.117 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.212 -8.657 -3.305 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.065 -10.132 -3.473 1.00 0.00 C ATOM 2083 C GLU B 67 -23.302 -10.680 -4.179 1.00 0.00 C ATOM 2084 O GLU B 67 -23.249 -11.679 -4.869 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.935 -10.790 -2.099 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.565 -10.463 -1.514 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.371 -11.228 -0.203 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.134 -12.147 0.042 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.462 -10.880 0.532 1.00 0.00 O ATOM 0 H GLU B 67 -22.402 -8.345 -2.352 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.176 -10.347 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.722 -10.432 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.058 -11.869 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.782 -10.732 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.480 -9.391 -1.337 1.00 0.00 H new