USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 241 SER OG : rot 100:sc= 1.34 USER MOD Set 1.2: A 271 ASN :FLIP amide:sc= -1.16 F(o=-0.62!,f=0.18) USER MOD Set 2.1: A 229 HIS : no HD1:sc= 0.491 K(o=1.6,f=-2.2) USER MOD Set 2.2: A 230 THR OG1 : rot 40:sc= 1.13 USER MOD Single : A 233 THR OG1 : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot 180:sc= 0 USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 THR OG1 : rot 180:sc= 0 USER MOD Single : A 243 LYS NZ :NH3+ 171:sc=-0.00891 (180deg=-0.114) USER MOD Single : A 245 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.636) USER MOD Single : A 246 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.06) USER MOD Single : A 254 CYS SG : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 165:sc= -0.046 (180deg=-0.294) USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 258 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 260 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 262 THR OG1 : rot 180:sc= 0 USER MOD Single : A 264 MET CE :methyl 150:sc= 0 (180deg=-1.05) USER MOD Single : A 266 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 267 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.1!) USER MOD Single : A 268 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.931) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 3.161 9.178 -2.135 1.00 0.00 N ATOM 49 CA GLY A 224 3.449 8.423 -3.332 1.00 0.00 C ATOM 50 C GLY A 224 2.272 7.594 -3.798 1.00 0.00 C ATOM 51 O GLY A 224 1.166 7.702 -3.253 1.00 0.00 O ATOM 0 HA2 GLY A 224 3.743 9.109 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 224 4.299 7.767 -3.147 1.00 0.00 H new ATOM 55 N ARG A 225 2.503 6.773 -4.805 1.00 0.00 N ATOM 56 CA ARG A 225 1.463 5.926 -5.369 1.00 0.00 C ATOM 57 C ARG A 225 1.844 4.462 -5.224 1.00 0.00 C ATOM 58 O ARG A 225 2.801 4.000 -5.849 1.00 0.00 O ATOM 59 CB ARG A 225 1.277 6.245 -6.855 1.00 0.00 C ATOM 60 CG ARG A 225 0.918 7.694 -7.164 1.00 0.00 C ATOM 61 CD ARG A 225 -0.532 8.013 -6.833 1.00 0.00 C ATOM 62 NE ARG A 225 -0.794 8.036 -5.392 1.00 0.00 N ATOM 63 CZ ARG A 225 -2.011 7.970 -4.853 1.00 0.00 C ATOM 64 NH1 ARG A 225 -3.080 7.841 -5.628 1.00 0.00 N ATOM 65 NH2 ARG A 225 -2.159 8.033 -3.540 1.00 0.00 N ATOM 0 H ARG A 225 3.413 6.673 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 225 0.534 6.116 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 225 2.197 5.994 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 225 0.495 5.600 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 225 1.572 8.357 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 225 1.100 7.894 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -0.793 8.981 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.179 7.272 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 225 0.005 8.107 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -2.972 7.792 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -4.009 7.791 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -1.341 8.132 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -3.091 7.982 -3.129 1.00 0.00 H new ATOM 68 N ALA A 226 1.112 3.735 -4.402 1.00 0.00 N ATOM 69 CA ALA A 226 1.383 2.326 -4.224 1.00 0.00 C ATOM 70 C ALA A 226 0.187 1.495 -4.645 1.00 0.00 C ATOM 71 O ALA A 226 -0.893 1.607 -4.072 1.00 0.00 O ATOM 72 CB ALA A 226 1.748 2.034 -2.777 1.00 0.00 C ATOM 0 H ALA A 226 0.332 4.095 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 226 2.229 2.057 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 226 1.949 0.969 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 226 2.637 2.603 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 226 0.920 2.320 -2.128 1.00 0.00 H new ATOM 78 N ARG A 227 0.376 0.669 -5.647 1.00 0.00 N ATOM 79 CA ARG A 227 -0.683 -0.202 -6.116 1.00 0.00 C ATOM 80 C ARG A 227 -0.477 -1.582 -5.539 1.00 0.00 C ATOM 81 O ARG A 227 0.504 -2.248 -5.852 1.00 0.00 O ATOM 82 CB ARG A 227 -0.688 -0.266 -7.642 1.00 0.00 C ATOM 83 CG ARG A 227 -1.895 -0.980 -8.231 1.00 0.00 C ATOM 84 CD ARG A 227 -1.821 -1.010 -9.745 1.00 0.00 C ATOM 85 NE ARG A 227 -3.063 -1.487 -10.358 1.00 0.00 N ATOM 86 CZ ARG A 227 -3.294 -1.478 -11.671 1.00 0.00 C ATOM 87 NH1 ARG A 227 -2.349 -1.071 -12.510 1.00 0.00 N ATOM 88 NH2 ARG A 227 -4.461 -1.891 -12.145 1.00 0.00 N ATOM 0 H ARG A 227 1.255 0.580 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.645 0.193 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -0.652 0.749 -8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 227 0.218 -0.771 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -1.944 -1.998 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -2.809 -0.476 -7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -1.598 -0.009 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -0.997 -1.654 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 227 -3.794 -1.847 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -1.445 -0.765 -12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -2.527 -1.065 -13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -5.185 -2.217 -11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -4.635 -1.883 -13.150 1.00 0.00 H new ATOM 91 N VAL A 228 -1.379 -2.011 -4.689 1.00 0.00 N ATOM 92 CA VAL A 228 -1.227 -3.303 -4.053 1.00 0.00 C ATOM 93 C VAL A 228 -1.598 -4.446 -5.010 1.00 0.00 C ATOM 94 O VAL A 228 -2.746 -4.584 -5.420 1.00 0.00 O ATOM 95 CB VAL A 228 -2.044 -3.390 -2.732 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.472 -2.918 -2.931 1.00 0.00 C ATOM 97 CG2 VAL A 228 -2.019 -4.799 -2.170 1.00 0.00 C ATOM 0 H VAL A 228 -2.217 -1.494 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.174 -3.414 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.571 -2.725 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -4.014 -2.992 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.469 -1.881 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -3.960 -3.541 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.597 -4.833 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.453 -5.488 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -0.989 -5.090 -1.964 1.00 0.00 H new ATOM 107 N HIS A 229 -0.592 -5.236 -5.389 1.00 0.00 N ATOM 108 CA HIS A 229 -0.805 -6.385 -6.278 1.00 0.00 C ATOM 109 C HIS A 229 -1.027 -7.670 -5.492 1.00 0.00 C ATOM 110 O HIS A 229 -1.656 -8.604 -5.977 1.00 0.00 O ATOM 111 CB HIS A 229 0.366 -6.556 -7.268 1.00 0.00 C ATOM 112 CG HIS A 229 1.718 -6.771 -6.634 1.00 0.00 C ATOM 113 ND1 HIS A 229 2.175 -8.001 -6.218 1.00 0.00 N ATOM 114 CD2 HIS A 229 2.715 -5.901 -6.367 1.00 0.00 C ATOM 115 CE1 HIS A 229 3.394 -7.874 -5.731 1.00 0.00 C ATOM 116 NE2 HIS A 229 3.745 -6.611 -5.809 1.00 0.00 N ATOM 0 H HIS A 229 0.376 -5.104 -5.097 1.00 0.00 H new ATOM 0 HA HIS A 229 -1.709 -6.180 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 229 0.149 -7.403 -7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 229 0.417 -5.671 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 229 2.703 -4.838 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 229 4.001 -8.674 -5.335 1.00 0.00 H new ATOM 0 HE2 HIS A 229 4.638 -6.223 -5.504 1.00 0.00 H new ATOM 121 N THR A 230 -0.511 -7.711 -4.290 1.00 0.00 N ATOM 122 CA THR A 230 -0.669 -8.864 -3.438 1.00 0.00 C ATOM 123 C THR A 230 -1.441 -8.461 -2.194 1.00 0.00 C ATOM 124 O THR A 230 -0.993 -7.609 -1.433 1.00 0.00 O ATOM 125 CB THR A 230 0.702 -9.459 -3.045 1.00 0.00 C ATOM 126 OG1 THR A 230 1.426 -9.830 -4.232 1.00 0.00 O ATOM 127 CG2 THR A 230 0.536 -10.683 -2.164 1.00 0.00 C ATOM 0 H THR A 230 0.028 -6.951 -3.875 1.00 0.00 H new ATOM 0 HA THR A 230 -1.220 -9.631 -3.983 1.00 0.00 H new ATOM 0 HB THR A 230 1.253 -8.701 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.293 -9.148 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.517 -11.080 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 230 0.003 -10.407 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 230 -0.032 -11.443 -2.700 1.00 0.00 H new ATOM 134 N ASP A 231 -2.608 -9.056 -2.005 1.00 0.00 N ATOM 135 CA ASP A 231 -3.460 -8.701 -0.881 1.00 0.00 C ATOM 136 C ASP A 231 -2.834 -9.093 0.439 1.00 0.00 C ATOM 137 O ASP A 231 -2.084 -10.069 0.532 1.00 0.00 O ATOM 138 CB ASP A 231 -4.868 -9.309 -1.007 1.00 0.00 C ATOM 139 CG ASP A 231 -4.898 -10.820 -0.864 1.00 0.00 C ATOM 140 OD1 ASP A 231 -5.060 -11.318 0.273 1.00 0.00 O ATOM 141 OD2 ASP A 231 -4.797 -11.519 -1.897 1.00 0.00 O ATOM 0 H ASP A 231 -2.986 -9.784 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 231 -3.562 -7.616 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -5.513 -8.869 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -5.286 -9.037 -1.976 1.00 0.00 H new ATOM 144 N PHE A 232 -3.152 -8.331 1.446 1.00 0.00 N ATOM 145 CA PHE A 232 -2.637 -8.551 2.768 1.00 0.00 C ATOM 146 C PHE A 232 -3.665 -8.143 3.785 1.00 0.00 C ATOM 147 O PHE A 232 -4.209 -7.038 3.733 1.00 0.00 O ATOM 148 CB PHE A 232 -1.319 -7.790 2.979 1.00 0.00 C ATOM 149 CG PHE A 232 -0.815 -7.805 4.400 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.395 -8.985 4.992 1.00 0.00 C ATOM 151 CD2 PHE A 232 -0.755 -6.631 5.140 1.00 0.00 C ATOM 152 CE1 PHE A 232 0.070 -8.999 6.293 1.00 0.00 C ATOM 153 CE2 PHE A 232 -0.290 -6.639 6.441 1.00 0.00 C ATOM 154 CZ PHE A 232 0.123 -7.824 7.019 1.00 0.00 C ATOM 0 H PHE A 232 -3.782 -7.532 1.372 1.00 0.00 H new ATOM 0 HA PHE A 232 -2.423 -9.613 2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -0.556 -8.221 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -1.456 -6.755 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -0.432 -9.906 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -1.075 -5.701 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 232 0.392 -9.927 6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 232 -0.249 -5.719 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.486 -7.832 8.036 1.00 0.00 H new ATOM 160 N THR A 233 -3.925 -9.019 4.708 1.00 0.00 N ATOM 161 CA THR A 233 -4.902 -8.767 5.705 1.00 0.00 C ATOM 162 C THR A 233 -4.393 -9.229 7.048 1.00 0.00 C ATOM 163 O THR A 233 -3.884 -10.341 7.184 1.00 0.00 O ATOM 164 CB THR A 233 -6.264 -9.445 5.377 1.00 0.00 C ATOM 165 OG1 THR A 233 -7.223 -9.153 6.405 1.00 0.00 O ATOM 166 CG2 THR A 233 -6.119 -10.956 5.229 1.00 0.00 C ATOM 0 H THR A 233 -3.463 -9.925 4.785 1.00 0.00 H new ATOM 0 HA THR A 233 -5.079 -7.692 5.732 1.00 0.00 H new ATOM 0 HB THR A 233 -6.611 -9.042 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 233 -8.076 -9.583 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 233 -7.091 -11.394 5.000 1.00 0.00 H new ATOM 0 HG22 THR A 233 -5.422 -11.177 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 233 -5.741 -11.378 6.160 1.00 0.00 H new ATOM 173 N PRO A 234 -4.465 -8.363 8.038 1.00 0.00 N ATOM 174 CA PRO A 234 -4.090 -8.694 9.387 1.00 0.00 C ATOM 175 C PRO A 234 -5.296 -9.202 10.143 1.00 0.00 C ATOM 176 O PRO A 234 -6.303 -9.590 9.530 1.00 0.00 O ATOM 177 CB PRO A 234 -3.660 -7.341 9.936 1.00 0.00 C ATOM 178 CG PRO A 234 -4.585 -6.372 9.275 1.00 0.00 C ATOM 179 CD PRO A 234 -4.914 -6.958 7.925 1.00 0.00 C ATOM 0 HA PRO A 234 -3.324 -9.466 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -3.752 -7.303 11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -2.619 -7.126 9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -5.488 -6.230 9.868 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -4.115 -5.394 9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -5.980 -6.894 7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -4.394 -6.434 7.123 1.00 0.00 H new ATOM 187 N SER A 235 -5.209 -9.216 11.445 1.00 0.00 N ATOM 188 CA SER A 235 -6.339 -9.566 12.250 1.00 0.00 C ATOM 189 C SER A 235 -7.358 -8.431 12.139 1.00 0.00 C ATOM 190 O SER A 235 -7.000 -7.273 12.315 1.00 0.00 O ATOM 191 CB SER A 235 -5.897 -9.758 13.699 1.00 0.00 C ATOM 192 OG SER A 235 -4.810 -10.678 13.777 1.00 0.00 O ATOM 0 H SER A 235 -4.364 -8.988 11.969 1.00 0.00 H new ATOM 0 HA SER A 235 -6.787 -10.500 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 235 -5.600 -8.799 14.124 1.00 0.00 H new ATOM 0 HB3 SER A 235 -6.733 -10.124 14.294 1.00 0.00 H new ATOM 0 HG SER A 235 -4.540 -10.787 14.713 1.00 0.00 H new ATOM 198 N PRO A 236 -8.627 -8.734 11.810 1.00 0.00 N ATOM 199 CA PRO A 236 -9.669 -7.700 11.647 1.00 0.00 C ATOM 200 C PRO A 236 -9.778 -6.802 12.878 1.00 0.00 C ATOM 201 O PRO A 236 -10.070 -5.608 12.782 1.00 0.00 O ATOM 202 CB PRO A 236 -10.951 -8.517 11.470 1.00 0.00 C ATOM 203 CG PRO A 236 -10.492 -9.830 10.934 1.00 0.00 C ATOM 204 CD PRO A 236 -9.151 -10.092 11.562 1.00 0.00 C ATOM 0 HA PRO A 236 -9.457 -7.028 10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -11.477 -8.638 12.417 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -11.641 -8.028 10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -11.200 -10.621 11.182 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -10.414 -9.801 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -9.243 -10.664 12.486 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -8.499 -10.661 10.899 1.00 0.00 H new ATOM 212 N TYR A 237 -9.517 -7.395 14.022 1.00 0.00 N ATOM 213 CA TYR A 237 -9.585 -6.705 15.297 1.00 0.00 C ATOM 214 C TYR A 237 -8.243 -6.056 15.676 1.00 0.00 C ATOM 215 O TYR A 237 -7.981 -5.786 16.847 1.00 0.00 O ATOM 216 CB TYR A 237 -10.072 -7.669 16.374 1.00 0.00 C ATOM 217 CG TYR A 237 -11.442 -8.222 16.061 1.00 0.00 C ATOM 218 CD1 TYR A 237 -12.575 -7.479 16.328 1.00 0.00 C ATOM 219 CD2 TYR A 237 -11.598 -9.469 15.472 1.00 0.00 C ATOM 220 CE1 TYR A 237 -13.831 -7.956 16.026 1.00 0.00 C ATOM 221 CE2 TYR A 237 -12.852 -9.956 15.160 1.00 0.00 C ATOM 222 CZ TYR A 237 -13.967 -9.193 15.441 1.00 0.00 C ATOM 223 OH TYR A 237 -15.224 -9.665 15.126 1.00 0.00 O ATOM 0 H TYR A 237 -9.249 -8.376 14.097 1.00 0.00 H new ATOM 0 HA TYR A 237 -10.301 -5.888 15.209 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -9.363 -8.491 16.472 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -10.099 -7.155 17.335 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -12.474 -6.505 16.783 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -10.726 -10.067 15.254 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -14.705 -7.361 16.248 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -12.959 -10.927 14.699 1.00 0.00 H new ATOM 0 HH TYR A 237 -15.147 -10.553 14.718 1.00 0.00 H new ATOM 229 N ASP A 238 -7.422 -5.782 14.671 1.00 0.00 N ATOM 230 CA ASP A 238 -6.137 -5.114 14.875 1.00 0.00 C ATOM 231 C ASP A 238 -6.217 -3.706 14.303 1.00 0.00 C ATOM 232 O ASP A 238 -6.396 -3.525 13.095 1.00 0.00 O ATOM 233 CB ASP A 238 -4.991 -5.897 14.219 1.00 0.00 C ATOM 234 CG ASP A 238 -3.621 -5.307 14.525 1.00 0.00 C ATOM 235 OD1 ASP A 238 -3.222 -5.308 15.710 1.00 0.00 O ATOM 236 OD2 ASP A 238 -2.921 -4.875 13.585 1.00 0.00 O ATOM 0 H ASP A 238 -7.623 -6.013 13.698 1.00 0.00 H new ATOM 0 HA ASP A 238 -5.928 -5.067 15.944 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -5.021 -6.931 14.562 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -5.141 -5.915 13.139 1.00 0.00 H new ATOM 239 N THR A 239 -6.125 -2.721 15.174 1.00 0.00 N ATOM 240 CA THR A 239 -6.261 -1.327 14.785 1.00 0.00 C ATOM 241 C THR A 239 -5.059 -0.827 13.968 1.00 0.00 C ATOM 242 O THR A 239 -5.230 -0.113 12.975 1.00 0.00 O ATOM 243 CB THR A 239 -6.436 -0.439 16.031 1.00 0.00 C ATOM 244 OG1 THR A 239 -7.445 -1.005 16.883 1.00 0.00 O ATOM 245 CG2 THR A 239 -6.851 0.972 15.638 1.00 0.00 C ATOM 0 H THR A 239 -5.954 -2.861 16.170 1.00 0.00 H new ATOM 0 HA THR A 239 -7.146 -1.261 14.152 1.00 0.00 H new ATOM 0 HB THR A 239 -5.482 -0.391 16.556 1.00 0.00 H new ATOM 0 HG1 THR A 239 -7.556 -0.442 17.677 1.00 0.00 H new ATOM 0 HG21 THR A 239 -6.968 1.580 16.535 1.00 0.00 H new ATOM 0 HG22 THR A 239 -6.085 1.412 14.999 1.00 0.00 H new ATOM 0 HG23 THR A 239 -7.797 0.936 15.098 1.00 0.00 H new ATOM 252 N ASP A 240 -3.856 -1.215 14.386 1.00 0.00 N ATOM 253 CA ASP A 240 -2.614 -0.762 13.737 1.00 0.00 C ATOM 254 C ASP A 240 -2.579 -1.069 12.247 1.00 0.00 C ATOM 255 O ASP A 240 -2.709 -0.171 11.409 1.00 0.00 O ATOM 256 CB ASP A 240 -1.387 -1.393 14.403 1.00 0.00 C ATOM 257 CG ASP A 240 -0.704 -0.471 15.381 1.00 0.00 C ATOM 258 OD1 ASP A 240 -0.014 0.471 14.932 1.00 0.00 O ATOM 259 OD2 ASP A 240 -0.826 -0.691 16.601 1.00 0.00 O ATOM 0 H ASP A 240 -3.708 -1.845 15.174 1.00 0.00 H new ATOM 0 HA ASP A 240 -2.591 0.321 13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -1.690 -2.303 14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -0.674 -1.688 13.633 1.00 0.00 H new ATOM 262 N SER A 241 -2.375 -2.335 11.936 1.00 0.00 N ATOM 263 CA SER A 241 -2.235 -2.807 10.569 1.00 0.00 C ATOM 264 C SER A 241 -3.340 -2.315 9.629 1.00 0.00 C ATOM 265 O SER A 241 -4.500 -2.139 10.020 1.00 0.00 O ATOM 266 CB SER A 241 -2.172 -4.316 10.570 1.00 0.00 C ATOM 267 OG SER A 241 -1.246 -4.768 11.540 1.00 0.00 O ATOM 0 H SER A 241 -2.301 -3.075 12.634 1.00 0.00 H new ATOM 0 HA SER A 241 -1.309 -2.386 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 241 -3.159 -4.728 10.780 1.00 0.00 H new ATOM 0 HB3 SER A 241 -1.880 -4.675 9.583 1.00 0.00 H new ATOM 0 HG SER A 241 -1.728 -5.052 12.345 1.00 0.00 H new ATOM 273 N LEU A 242 -2.952 -2.090 8.389 1.00 0.00 N ATOM 274 CA LEU A 242 -3.853 -1.633 7.363 1.00 0.00 C ATOM 275 C LEU A 242 -4.216 -2.799 6.459 1.00 0.00 C ATOM 276 O LEU A 242 -3.338 -3.523 5.988 1.00 0.00 O ATOM 277 CB LEU A 242 -3.171 -0.526 6.551 1.00 0.00 C ATOM 278 CG LEU A 242 -4.000 0.134 5.455 1.00 0.00 C ATOM 279 CD1 LEU A 242 -5.182 0.869 6.053 1.00 0.00 C ATOM 280 CD2 LEU A 242 -3.130 1.086 4.647 1.00 0.00 C ATOM 0 H LEU A 242 -1.993 -2.222 8.068 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.763 -1.236 7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.844 0.250 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.274 -0.944 6.093 1.00 0.00 H new ATOM 0 HG LEU A 242 -4.383 -0.640 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.762 1.334 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.811 0.164 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.824 1.638 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -3.730 1.553 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.726 1.856 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -2.310 0.531 4.191 1.00 0.00 H new ATOM 292 N LYS A 243 -5.499 -2.998 6.233 1.00 0.00 N ATOM 293 CA LYS A 243 -5.944 -4.076 5.374 1.00 0.00 C ATOM 294 C LYS A 243 -5.855 -3.629 3.924 1.00 0.00 C ATOM 295 O LYS A 243 -6.669 -2.826 3.459 1.00 0.00 O ATOM 296 CB LYS A 243 -7.388 -4.500 5.735 1.00 0.00 C ATOM 297 CG LYS A 243 -7.835 -5.849 5.142 1.00 0.00 C ATOM 298 CD LYS A 243 -8.067 -5.776 3.635 1.00 0.00 C ATOM 299 CE LYS A 243 -8.424 -7.134 3.052 1.00 0.00 C ATOM 300 NZ LYS A 243 -9.675 -7.683 3.633 1.00 0.00 N ATOM 0 H LYS A 243 -6.248 -2.431 6.630 1.00 0.00 H new ATOM 0 HA LYS A 243 -5.300 -4.944 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.476 -4.550 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.075 -3.725 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -7.078 -6.604 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -8.753 -6.172 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -8.869 -5.068 3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -7.170 -5.396 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -8.536 -7.045 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -7.606 -7.831 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -9.961 -8.531 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -9.514 -7.936 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -10.428 -6.968 3.575 1.00 0.00 H new ATOM 303 N ILE A 244 -4.865 -4.131 3.219 1.00 0.00 N ATOM 304 CA ILE A 244 -4.683 -3.778 1.835 1.00 0.00 C ATOM 305 C ILE A 244 -5.281 -4.847 0.927 1.00 0.00 C ATOM 306 O ILE A 244 -5.055 -6.048 1.106 1.00 0.00 O ATOM 307 CB ILE A 244 -3.202 -3.512 1.490 1.00 0.00 C ATOM 308 CG1 ILE A 244 -2.349 -4.754 1.715 1.00 0.00 C ATOM 309 CG2 ILE A 244 -2.680 -2.354 2.335 1.00 0.00 C ATOM 310 CD1 ILE A 244 -0.912 -4.583 1.276 1.00 0.00 C ATOM 0 H ILE A 244 -4.174 -4.786 3.586 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.216 -2.843 1.663 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.137 -3.251 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -2.369 -5.013 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -2.789 -5.591 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -1.634 -2.167 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -3.266 -1.459 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -2.766 -2.607 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -0.362 -5.505 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -0.882 -4.354 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -0.455 -3.767 1.836 1.00 0.00 H new ATOM 321 N LYS A 245 -6.043 -4.400 -0.034 1.00 0.00 N ATOM 322 CA LYS A 245 -6.777 -5.280 -0.915 1.00 0.00 C ATOM 323 C LYS A 245 -6.253 -5.138 -2.337 1.00 0.00 C ATOM 324 O LYS A 245 -6.425 -4.094 -2.954 1.00 0.00 O ATOM 325 CB LYS A 245 -8.278 -4.904 -0.824 1.00 0.00 C ATOM 326 CG LYS A 245 -9.262 -5.840 -1.524 1.00 0.00 C ATOM 327 CD LYS A 245 -9.268 -5.647 -3.029 1.00 0.00 C ATOM 328 CE LYS A 245 -10.578 -6.102 -3.640 1.00 0.00 C ATOM 329 NZ LYS A 245 -11.715 -5.249 -3.199 1.00 0.00 N ATOM 0 H LYS A 245 -6.176 -3.408 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.649 -6.322 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.552 -4.848 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.404 -3.904 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -9.004 -6.874 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -10.265 -5.667 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -9.101 -4.596 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -8.444 -6.207 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -10.502 -6.074 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -10.770 -7.138 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -12.474 -5.288 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -12.076 -5.596 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -11.391 -4.267 -3.092 1.00 0.00 H new ATOM 332 N LYS A 246 -5.534 -6.169 -2.815 1.00 0.00 N ATOM 333 CA LYS A 246 -4.998 -6.189 -4.188 1.00 0.00 C ATOM 334 C LYS A 246 -5.962 -5.583 -5.210 1.00 0.00 C ATOM 335 O LYS A 246 -7.095 -6.042 -5.383 1.00 0.00 O ATOM 336 CB LYS A 246 -4.566 -7.609 -4.603 1.00 0.00 C ATOM 337 CG LYS A 246 -5.678 -8.649 -4.639 1.00 0.00 C ATOM 338 CD LYS A 246 -5.119 -10.015 -5.017 1.00 0.00 C ATOM 339 CE LYS A 246 -6.207 -11.074 -5.113 1.00 0.00 C ATOM 340 NZ LYS A 246 -6.840 -11.353 -3.800 1.00 0.00 N ATOM 0 H LYS A 246 -5.310 -7.001 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.112 -5.554 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -4.109 -7.557 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -3.795 -7.951 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -6.163 -8.705 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -6.441 -8.350 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -4.600 -9.942 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -4.380 -10.321 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -6.970 -10.745 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -5.780 -11.995 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -7.368 -12.247 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -6.104 -11.428 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -7.492 -10.580 -3.558 1.00 0.00 H new ATOM 343 N GLY A 247 -5.494 -4.541 -5.871 1.00 0.00 N ATOM 344 CA GLY A 247 -6.307 -3.829 -6.821 1.00 0.00 C ATOM 345 C GLY A 247 -6.609 -2.420 -6.354 1.00 0.00 C ATOM 346 O GLY A 247 -7.200 -1.623 -7.089 1.00 0.00 O ATOM 0 H GLY A 247 -4.549 -4.172 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -5.795 -3.792 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -7.241 -4.369 -6.978 1.00 0.00 H new ATOM 350 N ASP A 248 -6.203 -2.112 -5.131 1.00 0.00 N ATOM 351 CA ASP A 248 -6.422 -0.791 -4.555 1.00 0.00 C ATOM 352 C ASP A 248 -5.180 0.076 -4.674 1.00 0.00 C ATOM 353 O ASP A 248 -4.072 -0.422 -4.949 1.00 0.00 O ATOM 354 CB ASP A 248 -6.837 -0.890 -3.079 1.00 0.00 C ATOM 355 CG ASP A 248 -8.333 -1.057 -2.890 1.00 0.00 C ATOM 356 OD1 ASP A 248 -9.039 -0.036 -2.816 1.00 0.00 O ATOM 357 OD2 ASP A 248 -8.806 -2.203 -2.812 1.00 0.00 O ATOM 0 H ASP A 248 -5.717 -2.763 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.231 -0.327 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -6.323 -1.734 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.509 0.008 -2.555 1.00 0.00 H new ATOM 360 N ILE A 249 -5.361 1.365 -4.448 1.00 0.00 N ATOM 361 CA ILE A 249 -4.280 2.327 -4.512 1.00 0.00 C ATOM 362 C ILE A 249 -4.045 2.921 -3.132 1.00 0.00 C ATOM 363 O ILE A 249 -4.925 3.569 -2.561 1.00 0.00 O ATOM 364 CB ILE A 249 -4.580 3.466 -5.519 1.00 0.00 C ATOM 365 CG1 ILE A 249 -4.815 2.899 -6.930 1.00 0.00 C ATOM 366 CG2 ILE A 249 -3.444 4.484 -5.534 1.00 0.00 C ATOM 367 CD1 ILE A 249 -3.616 2.186 -7.521 1.00 0.00 C ATOM 0 H ILE A 249 -6.266 1.773 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.388 1.803 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.491 3.972 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.655 2.205 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.102 3.714 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.674 5.275 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.328 4.914 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -2.517 3.991 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -3.866 1.817 -8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -2.778 2.880 -7.591 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.340 1.347 -6.882 1.00 0.00 H new ATOM 378 N ILE A 250 -2.873 2.691 -2.603 1.00 0.00 N ATOM 379 CA ILE A 250 -2.518 3.157 -1.282 1.00 0.00 C ATOM 380 C ILE A 250 -1.699 4.431 -1.374 1.00 0.00 C ATOM 381 O ILE A 250 -0.779 4.533 -2.204 1.00 0.00 O ATOM 382 CB ILE A 250 -1.682 2.091 -0.532 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.344 0.719 -0.639 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.495 2.479 0.937 1.00 0.00 C ATOM 385 CD1 ILE A 250 -1.458 -0.413 -0.181 1.00 0.00 C ATOM 0 H ILE A 250 -2.132 2.173 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.443 3.347 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.699 2.041 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -3.258 0.718 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.637 0.545 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.905 1.715 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.977 3.436 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.469 2.562 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -1.992 -1.358 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -0.555 -0.438 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.186 -0.262 0.864 1.00 0.00 H new ATOM 396 N ASP A 251 -2.033 5.401 -0.551 1.00 0.00 N ATOM 397 CA ASP A 251 -1.262 6.615 -0.480 1.00 0.00 C ATOM 398 C ASP A 251 -0.199 6.465 0.594 1.00 0.00 C ATOM 399 O ASP A 251 -0.417 5.794 1.607 1.00 0.00 O ATOM 400 CB ASP A 251 -2.150 7.856 -0.264 1.00 0.00 C ATOM 401 CG ASP A 251 -3.117 7.739 0.891 1.00 0.00 C ATOM 402 OD1 ASP A 251 -4.119 6.996 0.761 1.00 0.00 O ATOM 403 OD2 ASP A 251 -2.908 8.424 1.912 1.00 0.00 O ATOM 0 H ASP A 251 -2.835 5.369 0.078 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.768 6.779 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -1.509 8.722 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.715 8.047 -1.177 1.00 0.00 H new ATOM 406 N ILE A 252 0.948 7.072 0.370 1.00 0.00 N ATOM 407 CA ILE A 252 2.100 6.850 1.235 1.00 0.00 C ATOM 408 C ILE A 252 2.475 8.102 2.019 1.00 0.00 C ATOM 409 O ILE A 252 2.518 9.196 1.466 1.00 0.00 O ATOM 410 CB ILE A 252 3.327 6.394 0.409 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.913 5.363 -0.649 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.385 5.806 1.326 1.00 0.00 C ATOM 413 CD1 ILE A 252 4.026 4.997 -1.614 1.00 0.00 C ATOM 0 H ILE A 252 1.112 7.721 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 252 1.814 6.069 1.940 1.00 0.00 H new ATOM 0 HB ILE A 252 3.743 7.263 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.568 4.459 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 252 2.068 5.756 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.244 5.489 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.700 6.559 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 252 3.972 4.947 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.659 4.264 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.356 5.890 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.864 4.574 -1.060 1.00 0.00 H new ATOM 424 N ILE A 253 2.739 7.927 3.312 1.00 0.00 N ATOM 425 CA ILE A 253 3.162 9.033 4.175 1.00 0.00 C ATOM 426 C ILE A 253 4.625 8.833 4.601 1.00 0.00 C ATOM 427 O ILE A 253 5.350 9.789 4.877 1.00 0.00 O ATOM 428 CB ILE A 253 2.268 9.121 5.448 1.00 0.00 C ATOM 429 CG1 ILE A 253 0.783 9.251 5.065 1.00 0.00 C ATOM 430 CG2 ILE A 253 2.692 10.289 6.339 1.00 0.00 C ATOM 431 CD1 ILE A 253 0.454 10.509 4.281 1.00 0.00 C ATOM 0 H ILE A 253 2.668 7.028 3.788 1.00 0.00 H new ATOM 0 HA ILE A 253 3.062 9.960 3.610 1.00 0.00 H new ATOM 0 HB ILE A 253 2.401 8.197 6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 253 0.493 8.382 4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 253 0.181 9.234 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 253 2.051 10.326 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.728 10.152 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 253 2.600 11.222 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 253 -0.611 10.526 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 253 0.710 11.386 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 253 1.027 10.520 3.354 1.00 0.00 H new ATOM 442 N CYS A 254 5.046 7.581 4.604 1.00 0.00 N ATOM 443 CA CYS A 254 6.390 7.227 5.044 1.00 0.00 C ATOM 444 C CYS A 254 6.951 6.051 4.256 1.00 0.00 C ATOM 445 O CYS A 254 6.250 5.076 3.999 1.00 0.00 O ATOM 446 CB CYS A 254 6.387 6.906 6.542 1.00 0.00 C ATOM 447 SG CYS A 254 8.020 6.564 7.232 1.00 0.00 S ATOM 0 H CYS A 254 4.477 6.788 4.306 1.00 0.00 H new ATOM 0 HA CYS A 254 7.035 8.086 4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.946 7.745 7.081 1.00 0.00 H new ATOM 0 HB3 CYS A 254 5.744 6.043 6.715 1.00 0.00 H new ATOM 0 HG CYS A 254 7.910 6.307 8.502 1.00 0.00 H new ATOM 453 N LYS A 255 8.222 6.160 3.871 1.00 0.00 N ATOM 454 CA LYS A 255 8.906 5.105 3.136 1.00 0.00 C ATOM 455 C LYS A 255 10.225 4.778 3.808 1.00 0.00 C ATOM 456 O LYS A 255 10.988 5.677 4.161 1.00 0.00 O ATOM 457 CB LYS A 255 9.193 5.513 1.678 1.00 0.00 C ATOM 458 CG LYS A 255 7.979 5.950 0.873 1.00 0.00 C ATOM 459 CD LYS A 255 7.654 7.428 1.083 1.00 0.00 C ATOM 460 CE LYS A 255 8.767 8.334 0.558 1.00 0.00 C ATOM 461 NZ LYS A 255 9.073 8.069 -0.871 1.00 0.00 N ATOM 0 H LYS A 255 8.801 6.978 4.060 1.00 0.00 H new ATOM 0 HA LYS A 255 8.247 4.237 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.918 6.327 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.662 4.671 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.161 5.766 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.118 5.345 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 255 6.719 7.670 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 255 7.500 7.619 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 255 8.473 9.377 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 255 9.667 8.186 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 9.637 8.853 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 9.612 7.183 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 8.185 7.985 -1.406 1.00 0.00 H new ATOM 464 N THR A 256 10.494 3.511 3.983 1.00 0.00 N ATOM 465 CA THR A 256 11.737 3.080 4.573 1.00 0.00 C ATOM 466 C THR A 256 12.165 1.734 3.986 1.00 0.00 C ATOM 467 O THR A 256 11.369 0.803 3.898 1.00 0.00 O ATOM 468 CB THR A 256 11.644 2.992 6.127 1.00 0.00 C ATOM 469 OG1 THR A 256 12.903 2.574 6.678 1.00 0.00 O ATOM 470 CG2 THR A 256 10.548 2.027 6.570 1.00 0.00 C ATOM 0 H THR A 256 9.864 2.752 3.723 1.00 0.00 H new ATOM 0 HA THR A 256 12.492 3.829 4.334 1.00 0.00 H new ATOM 0 HB THR A 256 11.394 3.986 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 256 12.832 2.524 7.654 1.00 0.00 H new ATOM 0 HG21 THR A 256 10.513 1.992 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 256 9.586 2.368 6.187 1.00 0.00 H new ATOM 0 HG23 THR A 256 10.761 1.031 6.181 1.00 0.00 H new ATOM 477 N PRO A 257 13.424 1.621 3.547 1.00 0.00 N ATOM 478 CA PRO A 257 13.948 0.377 2.979 1.00 0.00 C ATOM 479 C PRO A 257 14.279 -0.652 4.065 1.00 0.00 C ATOM 480 O PRO A 257 14.834 -1.716 3.784 1.00 0.00 O ATOM 481 CB PRO A 257 15.224 0.833 2.272 1.00 0.00 C ATOM 482 CG PRO A 257 15.684 2.016 3.053 1.00 0.00 C ATOM 483 CD PRO A 257 14.439 2.700 3.555 1.00 0.00 C ATOM 0 HA PRO A 257 13.231 -0.116 2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.977 0.045 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 257 15.029 1.096 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 257 16.321 1.710 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 257 16.273 2.689 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 257 14.582 3.109 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 257 14.149 3.529 2.910 1.00 0.00 H new ATOM 491 N MET A 258 13.930 -0.329 5.302 1.00 0.00 N ATOM 492 CA MET A 258 14.210 -1.200 6.432 1.00 0.00 C ATOM 493 C MET A 258 13.055 -2.171 6.689 1.00 0.00 C ATOM 494 O MET A 258 13.268 -3.280 7.178 1.00 0.00 O ATOM 495 CB MET A 258 14.487 -0.364 7.685 1.00 0.00 C ATOM 496 CG MET A 258 14.965 -1.177 8.879 1.00 0.00 C ATOM 497 SD MET A 258 15.232 -0.162 10.347 1.00 0.00 S ATOM 498 CE MET A 258 15.893 -1.381 11.483 1.00 0.00 C ATOM 0 H MET A 258 13.449 0.536 5.548 1.00 0.00 H new ATOM 0 HA MET A 258 15.095 -1.789 6.191 1.00 0.00 H new ATOM 0 HB2 MET A 258 15.238 0.390 7.448 1.00 0.00 H new ATOM 0 HB3 MET A 258 13.577 0.169 7.962 1.00 0.00 H new ATOM 0 HG2 MET A 258 14.231 -1.950 9.105 1.00 0.00 H new ATOM 0 HG3 MET A 258 15.894 -1.685 8.619 1.00 0.00 H new ATOM 0 HE1 MET A 258 16.110 -0.907 12.440 1.00 0.00 H new ATOM 0 HE2 MET A 258 15.162 -2.176 11.629 1.00 0.00 H new ATOM 0 HE3 MET A 258 16.810 -1.802 11.071 1.00 0.00 H new ATOM 508 N GLY A 259 11.839 -1.763 6.351 1.00 0.00 N ATOM 509 CA GLY A 259 10.695 -2.621 6.592 1.00 0.00 C ATOM 510 C GLY A 259 9.413 -2.083 5.996 1.00 0.00 C ATOM 511 O GLY A 259 9.428 -1.466 4.937 1.00 0.00 O ATOM 0 H GLY A 259 11.625 -0.864 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.895 -3.609 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 259 10.564 -2.748 7.667 1.00 0.00 H new ATOM 515 N MET A 260 8.304 -2.323 6.687 1.00 0.00 N ATOM 516 CA MET A 260 6.979 -1.896 6.231 1.00 0.00 C ATOM 517 C MET A 260 6.842 -0.370 6.231 1.00 0.00 C ATOM 518 O MET A 260 7.576 0.330 6.932 1.00 0.00 O ATOM 519 CB MET A 260 5.884 -2.537 7.096 1.00 0.00 C ATOM 520 CG MET A 260 5.957 -2.167 8.568 1.00 0.00 C ATOM 521 SD MET A 260 4.730 -3.038 9.561 1.00 0.00 S ATOM 522 CE MET A 260 5.071 -2.351 11.183 1.00 0.00 C ATOM 0 H MET A 260 8.294 -2.818 7.579 1.00 0.00 H new ATOM 0 HA MET A 260 6.859 -2.234 5.202 1.00 0.00 H new ATOM 0 HB2 MET A 260 4.910 -2.242 6.707 1.00 0.00 H new ATOM 0 HB3 MET A 260 5.950 -3.621 7.002 1.00 0.00 H new ATOM 0 HG2 MET A 260 6.954 -2.393 8.947 1.00 0.00 H new ATOM 0 HG3 MET A 260 5.811 -1.092 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 260 4.392 -2.790 11.914 1.00 0.00 H new ATOM 0 HE2 MET A 260 6.100 -2.574 11.464 1.00 0.00 H new ATOM 0 HE3 MET A 260 4.928 -1.271 11.158 1.00 0.00 H new ATOM 532 N TRP A 261 5.889 0.132 5.453 1.00 0.00 N ATOM 533 CA TRP A 261 5.680 1.570 5.302 1.00 0.00 C ATOM 534 C TRP A 261 4.380 2.008 5.963 1.00 0.00 C ATOM 535 O TRP A 261 3.460 1.207 6.141 1.00 0.00 O ATOM 536 CB TRP A 261 5.615 1.950 3.817 1.00 0.00 C ATOM 537 CG TRP A 261 6.883 1.735 3.054 1.00 0.00 C ATOM 538 CD1 TRP A 261 8.090 1.357 3.552 1.00 0.00 C ATOM 539 CD2 TRP A 261 7.063 1.897 1.645 1.00 0.00 C ATOM 540 NE1 TRP A 261 9.010 1.271 2.542 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.406 1.598 1.360 1.00 0.00 C ATOM 542 CE3 TRP A 261 6.215 2.265 0.595 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.924 1.656 0.070 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.729 2.321 -0.684 1.00 0.00 C ATOM 545 CH2 TRP A 261 8.072 2.017 -0.938 1.00 0.00 C ATOM 0 H TRP A 261 5.242 -0.442 4.912 1.00 0.00 H new ATOM 0 HA TRP A 261 6.520 2.071 5.782 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.821 1.372 3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 261 5.335 3.000 3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.294 1.154 4.593 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.989 1.006 2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 261 5.178 2.501 0.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.960 1.425 -0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 6.085 2.604 -1.503 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.443 2.069 -1.951 1.00 0.00 H new ATOM 551 N THR A 262 4.324 3.271 6.348 1.00 0.00 N ATOM 552 CA THR A 262 3.111 3.852 6.887 1.00 0.00 C ATOM 553 C THR A 262 2.308 4.512 5.760 1.00 0.00 C ATOM 554 O THR A 262 2.791 5.448 5.094 1.00 0.00 O ATOM 555 CB THR A 262 3.434 4.902 7.962 1.00 0.00 C ATOM 556 OG1 THR A 262 4.429 4.378 8.850 1.00 0.00 O ATOM 557 CG2 THR A 262 2.187 5.260 8.759 1.00 0.00 C ATOM 0 H THR A 262 5.112 3.917 6.296 1.00 0.00 H new ATOM 0 HA THR A 262 2.525 3.054 7.343 1.00 0.00 H new ATOM 0 HB THR A 262 3.804 5.802 7.471 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.639 5.045 9.536 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.439 6.005 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.430 5.666 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.798 4.366 9.247 1.00 0.00 H new ATOM 564 N GLY A 263 1.102 4.027 5.545 1.00 0.00 N ATOM 565 CA GLY A 263 0.281 4.549 4.482 1.00 0.00 C ATOM 566 C GLY A 263 -1.162 4.673 4.878 1.00 0.00 C ATOM 567 O GLY A 263 -1.516 4.494 6.050 1.00 0.00 O ATOM 0 H GLY A 263 0.675 3.278 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.658 5.527 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 263 0.361 3.897 3.612 1.00 0.00 H new ATOM 571 N MET A 264 -1.996 4.966 3.908 1.00 0.00 N ATOM 572 CA MET A 264 -3.414 5.126 4.142 1.00 0.00 C ATOM 573 C MET A 264 -4.216 4.453 3.043 1.00 0.00 C ATOM 574 O MET A 264 -3.819 4.447 1.876 1.00 0.00 O ATOM 575 CB MET A 264 -3.802 6.611 4.252 1.00 0.00 C ATOM 576 CG MET A 264 -3.167 7.342 5.426 1.00 0.00 C ATOM 577 SD MET A 264 -3.719 9.056 5.571 1.00 0.00 S ATOM 578 CE MET A 264 -2.805 9.584 7.018 1.00 0.00 C ATOM 0 H MET A 264 -1.713 5.100 2.937 1.00 0.00 H new ATOM 0 HA MET A 264 -3.648 4.646 5.092 1.00 0.00 H new ATOM 0 HB2 MET A 264 -3.519 7.117 3.329 1.00 0.00 H new ATOM 0 HB3 MET A 264 -4.886 6.685 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 264 -3.403 6.811 6.348 1.00 0.00 H new ATOM 0 HG3 MET A 264 -2.083 7.323 5.315 1.00 0.00 H new ATOM 0 HE1 MET A 264 -2.595 10.651 6.946 1.00 0.00 H new ATOM 0 HE2 MET A 264 -3.397 9.390 7.913 1.00 0.00 H new ATOM 0 HE3 MET A 264 -1.867 9.033 7.077 1.00 0.00 H new ATOM 588 N LEU A 265 -5.320 3.860 3.428 1.00 0.00 N ATOM 589 CA LEU A 265 -6.213 3.207 2.499 1.00 0.00 C ATOM 590 C LEU A 265 -7.621 3.298 3.049 1.00 0.00 C ATOM 591 O LEU A 265 -7.856 2.950 4.209 1.00 0.00 O ATOM 592 CB LEU A 265 -5.798 1.744 2.295 1.00 0.00 C ATOM 593 CG LEU A 265 -6.545 0.974 1.206 1.00 0.00 C ATOM 594 CD1 LEU A 265 -6.358 1.637 -0.144 1.00 0.00 C ATOM 595 CD2 LEU A 265 -6.065 -0.464 1.155 1.00 0.00 C ATOM 0 H LEU A 265 -5.627 3.816 4.400 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.167 3.698 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.733 1.720 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -5.930 1.216 3.239 1.00 0.00 H new ATOM 0 HG LEU A 265 -7.608 0.982 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -6.898 1.073 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -6.744 2.656 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -5.297 1.660 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -6.605 -1.001 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -4.997 -0.484 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -6.247 -0.943 2.117 1.00 0.00 H new ATOM 607 N ASN A 266 -8.551 3.788 2.230 1.00 0.00 N ATOM 608 CA ASN A 266 -9.935 4.023 2.664 1.00 0.00 C ATOM 609 C ASN A 266 -9.950 5.042 3.794 1.00 0.00 C ATOM 610 O ASN A 266 -10.784 4.979 4.698 1.00 0.00 O ATOM 611 CB ASN A 266 -10.626 2.717 3.111 1.00 0.00 C ATOM 612 CG ASN A 266 -11.115 1.874 1.949 1.00 0.00 C ATOM 613 OD1 ASN A 266 -10.290 0.954 1.491 1.00 0.00 O flip ATOM 614 ND2 ASN A 266 -12.240 2.043 1.477 1.00 0.00 N flip ATOM 0 H ASN A 266 -8.373 4.032 1.256 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.494 4.411 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.929 2.131 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -11.471 2.962 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -12.850 2.766 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -12.562 1.460 0.704 1.00 0.00 H new ATOM 621 N ASN A 267 -9.007 5.991 3.718 1.00 0.00 N ATOM 622 CA ASN A 267 -8.839 7.062 4.714 1.00 0.00 C ATOM 623 C ASN A 267 -8.344 6.530 6.054 1.00 0.00 C ATOM 624 O ASN A 267 -8.209 7.287 7.014 1.00 0.00 O ATOM 625 CB ASN A 267 -10.123 7.886 4.902 1.00 0.00 C ATOM 626 CG ASN A 267 -10.469 8.723 3.688 1.00 0.00 C ATOM 627 OD1 ASN A 267 -9.596 9.094 2.902 1.00 0.00 O ATOM 628 ND2 ASN A 267 -11.736 9.036 3.533 1.00 0.00 N ATOM 0 H ASN A 267 -8.331 6.039 2.955 1.00 0.00 H new ATOM 0 HA ASN A 267 -8.072 7.726 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -10.952 7.213 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -10.006 8.540 5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -12.027 9.606 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -12.428 8.709 4.207 1.00 0.00 H new ATOM 635 N LYS A 268 -8.066 5.237 6.118 1.00 0.00 N ATOM 636 CA LYS A 268 -7.553 4.640 7.333 1.00 0.00 C ATOM 637 C LYS A 268 -6.043 4.621 7.294 1.00 0.00 C ATOM 638 O LYS A 268 -5.446 4.165 6.317 1.00 0.00 O ATOM 639 CB LYS A 268 -8.071 3.209 7.522 1.00 0.00 C ATOM 640 CG LYS A 268 -7.619 2.574 8.836 1.00 0.00 C ATOM 641 CD LYS A 268 -7.779 1.062 8.825 1.00 0.00 C ATOM 642 CE LYS A 268 -7.348 0.444 10.156 1.00 0.00 C ATOM 643 NZ LYS A 268 -5.974 0.865 10.559 1.00 0.00 N ATOM 0 H LYS A 268 -8.188 4.585 5.343 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.901 5.243 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -9.160 3.216 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.728 2.593 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -6.575 2.826 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.198 2.993 9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.819 0.806 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -7.184 0.638 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -8.056 0.731 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -7.384 -0.643 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -5.627 0.240 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -5.337 0.803 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -5.999 1.846 10.905 1.00 0.00 H new ATOM 646 N VAL A 269 -5.430 5.117 8.338 1.00 0.00 N ATOM 647 CA VAL A 269 -3.990 5.117 8.435 1.00 0.00 C ATOM 648 C VAL A 269 -3.515 3.826 9.104 1.00 0.00 C ATOM 649 O VAL A 269 -4.157 3.326 10.040 1.00 0.00 O ATOM 650 CB VAL A 269 -3.475 6.357 9.222 1.00 0.00 C ATOM 651 CG1 VAL A 269 -4.023 6.379 10.643 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.951 6.410 9.225 1.00 0.00 C ATOM 0 H VAL A 269 -5.908 5.529 9.139 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.580 5.171 7.427 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.843 7.247 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -3.644 7.257 11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.112 6.416 10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.706 5.479 11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.619 7.286 9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.557 5.510 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.587 6.472 8.199 1.00 0.00 H new ATOM 662 N GLY A 270 -2.440 3.260 8.595 1.00 0.00 N ATOM 663 CA GLY A 270 -1.907 2.059 9.171 1.00 0.00 C ATOM 664 C GLY A 270 -0.609 1.669 8.518 1.00 0.00 C ATOM 665 O GLY A 270 -0.001 2.470 7.802 1.00 0.00 O ATOM 0 H GLY A 270 -1.926 3.615 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.750 2.204 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.629 1.250 9.062 1.00 0.00 H new ATOM 669 N ASN A 271 -0.186 0.448 8.741 1.00 0.00 N ATOM 670 CA ASN A 271 1.056 -0.039 8.164 1.00 0.00 C ATOM 671 C ASN A 271 0.775 -1.029 7.045 1.00 0.00 C ATOM 672 O ASN A 271 -0.329 -1.560 6.938 1.00 0.00 O ATOM 673 CB ASN A 271 1.952 -0.693 9.231 1.00 0.00 C ATOM 674 CG ASN A 271 1.322 -1.922 9.874 1.00 0.00 C ATOM 675 OD1 ASN A 271 0.691 -1.734 11.017 1.00 0.00 O flip ATOM 676 ND2 ASN A 271 1.423 -3.034 9.356 1.00 0.00 N flip ATOM 0 H ASN A 271 -0.681 -0.232 9.318 1.00 0.00 H new ATOM 0 HA ASN A 271 1.586 0.820 7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 271 2.901 -0.976 8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 271 2.176 0.040 10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 271 1.919 -3.141 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 271 1.011 -3.848 9.812 1.00 0.00 H new ATOM 683 N PHE A 272 1.791 -1.297 6.247 1.00 0.00 N ATOM 684 CA PHE A 272 1.692 -2.210 5.118 1.00 0.00 C ATOM 685 C PHE A 272 3.088 -2.478 4.590 1.00 0.00 C ATOM 686 O PHE A 272 3.952 -1.605 4.650 1.00 0.00 O ATOM 687 CB PHE A 272 0.788 -1.636 3.998 1.00 0.00 C ATOM 688 CG PHE A 272 1.401 -0.506 3.202 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.411 0.788 3.692 1.00 0.00 C ATOM 690 CD2 PHE A 272 1.963 -0.749 1.956 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.972 1.818 2.957 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.523 0.277 1.220 1.00 0.00 C ATOM 693 CZ PHE A 272 2.527 1.560 1.721 1.00 0.00 C ATOM 0 H PHE A 272 2.717 -0.885 6.363 1.00 0.00 H new ATOM 0 HA PHE A 272 1.233 -3.140 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.526 -2.443 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.141 -1.283 4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.976 0.997 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 272 1.962 -1.753 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.975 2.823 3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 272 2.957 0.073 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 272 2.964 2.363 1.147 1.00 0.00 H new ATOM 699 N LYS A 273 3.329 -3.666 4.091 1.00 0.00 N ATOM 700 CA LYS A 273 4.649 -3.985 3.604 1.00 0.00 C ATOM 701 C LYS A 273 4.733 -3.779 2.096 1.00 0.00 C ATOM 702 O LYS A 273 3.992 -4.396 1.326 1.00 0.00 O ATOM 703 CB LYS A 273 5.052 -5.400 4.007 1.00 0.00 C ATOM 704 CG LYS A 273 6.557 -5.598 4.074 1.00 0.00 C ATOM 705 CD LYS A 273 6.916 -6.851 4.847 1.00 0.00 C ATOM 706 CE LYS A 273 8.422 -7.008 4.975 1.00 0.00 C ATOM 707 NZ LYS A 273 8.793 -8.126 5.873 1.00 0.00 N ATOM 0 H LYS A 273 2.642 -4.416 4.012 1.00 0.00 H new ATOM 0 HA LYS A 273 5.361 -3.302 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 273 4.618 -5.631 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 273 4.630 -6.108 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 273 6.962 -5.663 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 273 7.019 -4.732 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 273 6.467 -6.810 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 273 6.499 -7.723 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 273 8.853 -7.178 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 273 8.851 -6.081 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 9.829 -8.196 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 8.404 -7.953 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 8.406 -9.016 5.498 1.00 0.00 H new ATOM 710 N PHE A 274 5.652 -2.901 1.694 1.00 0.00 N ATOM 711 CA PHE A 274 5.840 -2.503 0.289 1.00 0.00 C ATOM 712 C PHE A 274 6.097 -3.682 -0.654 1.00 0.00 C ATOM 713 O PHE A 274 5.964 -3.544 -1.867 1.00 0.00 O ATOM 714 CB PHE A 274 6.989 -1.492 0.173 1.00 0.00 C ATOM 715 CG PHE A 274 8.355 -2.059 0.488 1.00 0.00 C ATOM 716 CD1 PHE A 274 8.794 -2.176 1.798 1.00 0.00 C ATOM 717 CD2 PHE A 274 9.200 -2.469 -0.532 1.00 0.00 C ATOM 718 CE1 PHE A 274 10.045 -2.691 2.082 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.450 -2.984 -0.255 1.00 0.00 C ATOM 720 CZ PHE A 274 10.874 -3.096 1.053 1.00 0.00 C ATOM 0 H PHE A 274 6.295 -2.439 2.336 1.00 0.00 H new ATOM 0 HA PHE A 274 4.900 -2.048 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 274 7.001 -1.089 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 274 6.792 -0.657 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 274 8.151 -1.861 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.875 -2.384 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.374 -2.777 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 274 11.096 -3.299 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.852 -3.499 1.272 1.00 0.00 H new ATOM 726 N ILE A 275 6.432 -4.836 -0.104 1.00 0.00 N ATOM 727 CA ILE A 275 6.742 -5.998 -0.927 1.00 0.00 C ATOM 728 C ILE A 275 5.496 -6.516 -1.647 1.00 0.00 C ATOM 729 O ILE A 275 5.597 -7.289 -2.600 1.00 0.00 O ATOM 730 CB ILE A 275 7.381 -7.148 -0.109 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.401 -7.681 0.944 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.676 -6.677 0.546 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.915 -8.889 1.702 1.00 0.00 C ATOM 0 H ILE A 275 6.497 -4.996 0.901 1.00 0.00 H new ATOM 0 HA ILE A 275 7.471 -5.662 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 275 7.616 -7.965 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 275 6.178 -6.885 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.463 -7.943 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 275 9.113 -7.496 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.378 -6.356 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.463 -5.842 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.167 -9.208 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 275 7.111 -9.701 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.837 -8.627 2.221 1.00 0.00 H new ATOM 744 N TYR A 276 4.321 -6.088 -1.191 1.00 0.00 N ATOM 745 CA TYR A 276 3.074 -6.517 -1.797 1.00 0.00 C ATOM 746 C TYR A 276 2.540 -5.466 -2.772 1.00 0.00 C ATOM 747 O TYR A 276 1.535 -5.697 -3.460 1.00 0.00 O ATOM 748 CB TYR A 276 2.019 -6.776 -0.716 1.00 0.00 C ATOM 749 CG TYR A 276 2.430 -7.777 0.341 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.901 -9.036 -0.006 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.341 -7.460 1.690 1.00 0.00 C ATOM 752 CE1 TYR A 276 3.270 -9.948 0.962 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.707 -8.367 2.661 1.00 0.00 C ATOM 754 CZ TYR A 276 3.170 -9.610 2.293 1.00 0.00 C ATOM 755 OH TYR A 276 3.534 -10.520 3.260 1.00 0.00 O ATOM 0 H TYR A 276 4.212 -5.446 -0.406 1.00 0.00 H new ATOM 0 HA TYR A 276 3.276 -7.437 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.778 -5.831 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 276 1.106 -7.129 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 276 2.980 -9.306 -1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 276 1.979 -6.486 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 276 3.636 -10.923 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 276 2.631 -8.104 3.706 1.00 0.00 H new ATOM 0 HH TYR A 276 3.404 -10.124 4.147 1.00 0.00 H new ATOM 761 N VAL A 277 3.203 -4.315 -2.846 1.00 0.00 N ATOM 762 CA VAL A 277 2.719 -3.238 -3.697 1.00 0.00 C ATOM 763 C VAL A 277 3.686 -2.927 -4.834 1.00 0.00 C ATOM 764 O VAL A 277 4.839 -3.362 -4.831 1.00 0.00 O ATOM 765 CB VAL A 277 2.445 -1.937 -2.888 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.563 -2.221 -1.683 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.748 -1.263 -2.462 1.00 0.00 C ATOM 0 H VAL A 277 4.062 -4.108 -2.336 1.00 0.00 H new ATOM 0 HA VAL A 277 1.781 -3.594 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 277 1.913 -1.247 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.387 -1.295 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.610 -2.631 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 277 2.059 -2.940 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.522 -0.357 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 277 4.323 -1.945 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.330 -1.005 -3.347 1.00 0.00 H new ATOM 777 N ASP A 278 3.191 -2.185 -5.800 1.00 0.00 N ATOM 778 CA ASP A 278 3.976 -1.739 -6.936 1.00 0.00 C ATOM 779 C ASP A 278 4.142 -0.243 -6.863 1.00 0.00 C ATOM 780 O ASP A 278 3.167 0.483 -6.638 1.00 0.00 O ATOM 781 CB ASP A 278 3.305 -2.109 -8.273 1.00 0.00 C ATOM 782 CG ASP A 278 3.424 -3.577 -8.620 1.00 0.00 C ATOM 783 OD1 ASP A 278 4.564 -4.083 -8.701 1.00 0.00 O ATOM 784 OD2 ASP A 278 2.382 -4.238 -8.812 1.00 0.00 O ATOM 0 H ASP A 278 2.221 -1.869 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 278 4.945 -2.237 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 278 2.250 -1.838 -8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 278 3.753 -1.517 -9.071 1.00 0.00 H new ATOM 787 N VAL A 279 5.358 0.224 -7.029 1.00 0.00 N ATOM 788 CA VAL A 279 5.622 1.646 -7.005 1.00 0.00 C ATOM 789 C VAL A 279 5.530 2.195 -8.418 1.00 0.00 C ATOM 790 O VAL A 279 6.430 1.996 -9.239 1.00 0.00 O ATOM 791 CB VAL A 279 7.018 1.960 -6.408 1.00 0.00 C ATOM 792 CG1 VAL A 279 7.225 3.461 -6.276 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.186 1.275 -5.057 1.00 0.00 C ATOM 0 H VAL A 279 6.181 -0.359 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 279 4.876 2.121 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 279 7.775 1.572 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 279 8.211 3.657 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 279 7.151 3.926 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 279 6.461 3.877 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.171 1.506 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 279 6.419 1.632 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.088 0.197 -5.181 1.00 0.00 H new ATOM 803 N ILE A 280 4.437 2.873 -8.706 1.00 0.00 N ATOM 804 CA ILE A 280 4.192 3.387 -10.045 1.00 0.00 C ATOM 805 C ILE A 280 3.910 4.881 -10.017 1.00 0.00 C ATOM 806 O ILE A 280 3.845 5.491 -8.948 1.00 0.00 O ATOM 807 CB ILE A 280 3.004 2.654 -10.758 1.00 0.00 C ATOM 808 CG1 ILE A 280 1.627 3.037 -10.148 1.00 0.00 C ATOM 809 CG2 ILE A 280 3.201 1.141 -10.732 1.00 0.00 C ATOM 810 CD1 ILE A 280 1.385 2.536 -8.736 1.00 0.00 C ATOM 0 H ILE A 280 3.701 3.083 -8.032 1.00 0.00 H new ATOM 0 HA ILE A 280 5.102 3.197 -10.613 1.00 0.00 H new ATOM 0 HB ILE A 280 3.003 2.987 -11.796 1.00 0.00 H new ATOM 0 HG12 ILE A 280 1.535 4.123 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 280 0.840 2.648 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 280 2.363 0.656 -11.233 1.00 0.00 H new ATOM 0 HG22 ILE A 280 4.128 0.886 -11.246 1.00 0.00 H new ATOM 0 HG23 ILE A 280 3.253 0.799 -9.698 1.00 0.00 H new ATOM 0 HD11 ILE A 280 0.398 2.855 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 280 1.439 1.447 -8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 280 2.144 2.945 -8.070 1.00 0.00 H new