USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 479 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 279 CYS SG : rot 67:sc= 2.06 USER MOD Set 1.2: A 280 ASN : amide:sc= -0.189 X(o=3.6,f=3.3) USER MOD Set 1.3: A 282 LYS NZ :NH3+ -157:sc= 1.73 (180deg=0.757) USER MOD Set 2.1: A 270 ASN :FLIP amide:sc= -1.94! C(o=-5.4!,f=-2.4!) USER MOD Set 2.2: A 272 SER OG : rot -150:sc= -0.122 USER MOD Set 2.3: A 274 GLN :FLIP amide:sc= -0.36 F(o=-3.2!,f=-2.4) USER MOD Set 3.1: A 239 TYR OH : rot 180:sc= 0.341 USER MOD Set 3.2: A 265 LYS NZ :NH3+ 138:sc= 0.361 (180deg=0) USER MOD Set 4.1: A 254 THR OG1 : rot -9:sc= 1.23 USER MOD Set 4.2: A 285 HIS : no HD1:sc= 0.185 K(o=1.4,f=-1.5!) USER MOD Single : A 244 GLN :FLIP amide:sc= -0.0216 F(o=-1.2,f=-0.022) USER MOD Single : A 245 LYS NZ :NH3+ -107:sc= -2.23 (180deg=-6.74!) USER MOD Single : A 249 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 253 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0605) USER MOD Single : A 267 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : A 268 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.01) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD Single : A 290 HIS : no HE2:sc= -3.65! C(o=-3.6!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 237 10.041 -5.731 0.572 1.00 0.00 N ATOM 9 CA PRO A 237 8.756 -5.173 0.968 1.00 0.00 C ATOM 10 C PRO A 237 8.900 -3.856 1.732 1.00 0.00 C ATOM 11 O PRO A 237 9.545 -3.800 2.781 1.00 0.00 O ATOM 12 CB PRO A 237 8.162 -6.262 1.874 1.00 0.00 C ATOM 13 CG PRO A 237 9.239 -7.293 2.066 1.00 0.00 C ATOM 14 CD PRO A 237 10.521 -6.688 1.562 1.00 0.00 C ATOM 0 HA PRO A 237 8.134 -4.929 0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 237 7.851 -5.843 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 237 7.277 -6.706 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 237 9.329 -7.566 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 237 9.002 -8.205 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 237 11.083 -6.202 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 237 11.178 -7.437 1.120 1.00 0.00 H new ATOM 22 N ILE A 238 8.283 -2.807 1.202 1.00 0.00 N ATOM 23 CA ILE A 238 8.334 -1.478 1.821 1.00 0.00 C ATOM 24 C ILE A 238 7.236 -1.338 2.864 1.00 0.00 C ATOM 25 O ILE A 238 6.199 -1.996 2.763 1.00 0.00 O ATOM 26 CB ILE A 238 8.240 -0.332 0.751 1.00 0.00 C ATOM 27 CG1 ILE A 238 7.219 0.774 1.112 1.00 0.00 C ATOM 28 CG2 ILE A 238 7.901 -0.889 -0.621 1.00 0.00 C ATOM 29 CD1 ILE A 238 5.789 0.465 0.720 1.00 0.00 C ATOM 0 H ILE A 238 7.738 -2.846 0.341 1.00 0.00 H new ATOM 0 HA ILE A 238 9.300 -1.378 2.315 1.00 0.00 H new ATOM 0 HB ILE A 238 9.229 0.127 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 238 7.257 0.949 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 238 7.522 1.702 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 238 7.843 -0.073 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 238 8.676 -1.591 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 238 6.941 -1.404 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 238 5.145 1.294 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 238 5.730 0.322 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 238 5.462 -0.444 1.225 1.00 0.00 H new ATOM 41 N TYR A 239 7.455 -0.498 3.868 1.00 0.00 N ATOM 42 CA TYR A 239 6.411 -0.235 4.837 1.00 0.00 C ATOM 43 C TYR A 239 5.760 1.087 4.503 1.00 0.00 C ATOM 44 O TYR A 239 6.409 2.118 4.522 1.00 0.00 O ATOM 45 CB TYR A 239 6.974 -0.185 6.259 1.00 0.00 C ATOM 46 CG TYR A 239 7.412 -1.525 6.799 1.00 0.00 C ATOM 47 CD1 TYR A 239 6.483 -2.526 7.054 1.00 0.00 C ATOM 48 CD2 TYR A 239 8.750 -1.782 7.071 1.00 0.00 C ATOM 49 CE1 TYR A 239 6.874 -3.743 7.567 1.00 0.00 C ATOM 50 CE2 TYR A 239 9.148 -3.002 7.582 1.00 0.00 C ATOM 51 CZ TYR A 239 8.206 -3.977 7.826 1.00 0.00 C ATOM 52 OH TYR A 239 8.596 -5.190 8.346 1.00 0.00 O ATOM 0 H TYR A 239 8.330 0.002 4.027 1.00 0.00 H new ATOM 0 HA TYR A 239 5.680 -1.042 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 239 7.824 0.497 6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 239 6.217 0.232 6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 239 5.438 -2.347 6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 239 9.489 -1.018 6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 239 6.140 -4.510 7.765 1.00 0.00 H new ATOM 0 HE2 TYR A 239 10.191 -3.190 7.789 1.00 0.00 H new ATOM 0 HH TYR A 239 9.568 -5.196 8.470 1.00 0.00 H new ATOM 62 N ALA A 240 4.482 1.073 4.197 1.00 0.00 N ATOM 63 CA ALA A 240 3.813 2.299 3.834 1.00 0.00 C ATOM 64 C ALA A 240 2.673 2.586 4.788 1.00 0.00 C ATOM 65 O ALA A 240 1.705 1.831 4.878 1.00 0.00 O ATOM 66 CB ALA A 240 3.337 2.227 2.397 1.00 0.00 C ATOM 0 H ALA A 240 3.894 0.240 4.192 1.00 0.00 H new ATOM 0 HA ALA A 240 4.519 3.126 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 240 2.834 3.157 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 240 4.192 2.078 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 240 2.643 1.394 2.285 1.00 0.00 H new ATOM 72 N ARG A 241 2.801 3.693 5.484 1.00 0.00 N ATOM 73 CA ARG A 241 1.865 4.081 6.515 1.00 0.00 C ATOM 74 C ARG A 241 0.698 4.831 5.892 1.00 0.00 C ATOM 75 O ARG A 241 0.819 5.997 5.535 1.00 0.00 O ATOM 76 CB ARG A 241 2.601 4.955 7.531 1.00 0.00 C ATOM 77 CG ARG A 241 2.025 4.903 8.938 1.00 0.00 C ATOM 78 CD ARG A 241 0.730 5.699 9.077 1.00 0.00 C ATOM 79 NE ARG A 241 0.982 7.048 9.584 1.00 0.00 N ATOM 80 CZ ARG A 241 0.024 7.899 9.950 1.00 0.00 C ATOM 81 NH1 ARG A 241 -1.253 7.565 9.812 1.00 0.00 N ATOM 82 NH2 ARG A 241 0.342 9.086 10.442 1.00 0.00 N ATOM 0 H ARG A 241 3.565 4.355 5.349 1.00 0.00 H new ATOM 0 HA ARG A 241 1.466 3.202 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 241 3.646 4.647 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.585 5.988 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 241 1.839 3.864 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 241 2.762 5.291 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 241 0.233 5.760 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 241 0.051 5.177 9.751 1.00 0.00 H new ATOM 0 HE ARG A 241 1.951 7.356 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -1.503 6.655 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -1.984 8.218 10.093 1.00 0.00 H new ATOM 0 HH21 ARG A 241 1.322 9.351 10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -0.393 9.736 10.721 1.00 0.00 H new ATOM 96 N VAL A 242 -0.429 4.157 5.763 1.00 0.00 N ATOM 97 CA VAL A 242 -1.581 4.734 5.093 1.00 0.00 C ATOM 98 C VAL A 242 -2.108 5.891 5.882 1.00 0.00 C ATOM 99 O VAL A 242 -2.284 5.782 7.087 1.00 0.00 O ATOM 100 CB VAL A 242 -2.730 3.735 4.914 1.00 0.00 C ATOM 101 CG1 VAL A 242 -3.629 4.173 3.781 1.00 0.00 C ATOM 102 CG2 VAL A 242 -2.174 2.372 4.655 1.00 0.00 C ATOM 0 H VAL A 242 -0.572 3.210 6.113 1.00 0.00 H new ATOM 0 HA VAL A 242 -1.233 5.045 4.108 1.00 0.00 H new ATOM 0 HB VAL A 242 -3.326 3.702 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 242 -4.441 3.456 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 242 -4.043 5.157 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 242 -3.052 4.223 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 242 -2.992 1.663 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 242 -1.568 2.392 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 242 -1.556 2.065 5.499 1.00 0.00 H new ATOM 112 N ILE A 243 -2.346 6.996 5.210 1.00 0.00 N ATOM 113 CA ILE A 243 -2.928 8.140 5.862 1.00 0.00 C ATOM 114 C ILE A 243 -4.240 8.521 5.194 1.00 0.00 C ATOM 115 O ILE A 243 -4.889 9.490 5.579 1.00 0.00 O ATOM 116 CB ILE A 243 -1.948 9.340 5.877 1.00 0.00 C ATOM 117 CG1 ILE A 243 -1.491 9.732 4.458 1.00 0.00 C ATOM 118 CG2 ILE A 243 -0.745 9.009 6.739 1.00 0.00 C ATOM 119 CD1 ILE A 243 -2.466 10.625 3.728 1.00 0.00 C ATOM 0 H ILE A 243 -2.146 7.123 4.218 1.00 0.00 H new ATOM 0 HA ILE A 243 -3.132 7.870 6.898 1.00 0.00 H new ATOM 0 HB ILE A 243 -2.478 10.195 6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 243 -0.528 10.238 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 243 -1.335 8.825 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 243 -0.059 9.856 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 243 -1.073 8.799 7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 243 -0.237 8.134 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 243 -2.075 10.858 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 243 -3.424 10.114 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 243 -2.604 11.549 4.290 1.00 0.00 H new ATOM 131 N GLN A 244 -4.625 7.731 4.198 1.00 0.00 N ATOM 132 CA GLN A 244 -5.766 8.054 3.358 1.00 0.00 C ATOM 133 C GLN A 244 -5.991 6.953 2.340 1.00 0.00 C ATOM 134 O GLN A 244 -5.330 6.914 1.299 1.00 0.00 O ATOM 135 CB GLN A 244 -5.533 9.376 2.629 1.00 0.00 C ATOM 136 CG GLN A 244 -6.699 9.795 1.746 1.00 0.00 C ATOM 137 CD GLN A 244 -6.510 11.163 1.119 1.00 0.00 C ATOM 138 OE1 GLN A 244 -5.821 12.052 1.816 1.00 0.00 O flip ATOM 139 NE2 GLN A 244 -6.995 11.424 0.019 1.00 0.00 N flip ATOM 0 H GLN A 244 -4.158 6.857 3.954 1.00 0.00 H new ATOM 0 HA GLN A 244 -6.646 8.146 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -5.344 10.159 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -4.636 9.291 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -6.833 9.056 0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -7.614 9.797 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -7.520 10.712 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -6.872 12.352 -0.385 1.00 0.00 H new ATOM 148 N LYS A 245 -6.876 6.030 2.649 1.00 0.00 N ATOM 149 CA LYS A 245 -7.220 4.993 1.701 1.00 0.00 C ATOM 150 C LYS A 245 -8.688 4.614 1.837 1.00 0.00 C ATOM 151 O LYS A 245 -9.355 4.967 2.814 1.00 0.00 O ATOM 152 CB LYS A 245 -6.319 3.765 1.859 1.00 0.00 C ATOM 153 CG LYS A 245 -5.822 3.189 0.532 1.00 0.00 C ATOM 154 CD LYS A 245 -4.444 3.739 0.154 1.00 0.00 C ATOM 155 CE LYS A 245 -3.408 2.633 -0.049 1.00 0.00 C ATOM 156 NZ LYS A 245 -2.948 2.050 1.238 1.00 0.00 N ATOM 0 H LYS A 245 -7.367 5.976 3.542 1.00 0.00 H new ATOM 0 HA LYS A 245 -7.057 5.388 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -5.459 4.033 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -6.866 2.991 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -5.773 2.102 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -6.536 3.425 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -4.529 4.325 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -4.100 4.416 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -3.836 1.846 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -2.552 3.035 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -1.980 2.372 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -3.581 2.357 2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -2.961 1.012 1.173 1.00 0.00 H new ATOM 170 N ARG A 246 -9.172 3.919 0.829 1.00 0.00 N ATOM 171 CA ARG A 246 -10.557 3.512 0.717 1.00 0.00 C ATOM 172 C ARG A 246 -10.709 2.114 1.316 1.00 0.00 C ATOM 173 O ARG A 246 -9.711 1.484 1.661 1.00 0.00 O ATOM 174 CB ARG A 246 -10.914 3.539 -0.785 1.00 0.00 C ATOM 175 CG ARG A 246 -11.983 2.550 -1.215 1.00 0.00 C ATOM 176 CD ARG A 246 -12.091 2.448 -2.727 1.00 0.00 C ATOM 177 NE ARG A 246 -12.379 3.734 -3.353 1.00 0.00 N ATOM 178 CZ ARG A 246 -12.643 3.886 -4.649 1.00 0.00 C ATOM 179 NH1 ARG A 246 -12.669 2.829 -5.456 1.00 0.00 N ATOM 180 NH2 ARG A 246 -12.891 5.096 -5.134 1.00 0.00 N ATOM 0 H ARG A 246 -8.597 3.613 0.044 1.00 0.00 H new ATOM 0 HA ARG A 246 -11.231 4.175 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -11.246 4.544 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -10.009 3.344 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -11.755 1.568 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -12.945 2.854 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -11.158 2.052 -3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -12.876 1.738 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 246 -12.378 4.566 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -12.486 1.898 -5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -12.872 2.950 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -12.879 5.906 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -13.094 5.216 -6.126 1.00 0.00 H new ATOM 194 N VAL A 247 -11.940 1.628 1.456 1.00 0.00 N ATOM 195 CA VAL A 247 -12.172 0.234 1.825 1.00 0.00 C ATOM 196 C VAL A 247 -12.560 -0.587 0.579 1.00 0.00 C ATOM 197 O VAL A 247 -13.731 -0.900 0.365 1.00 0.00 O ATOM 198 CB VAL A 247 -13.278 0.108 2.898 1.00 0.00 C ATOM 199 CG1 VAL A 247 -13.379 -1.321 3.410 1.00 0.00 C ATOM 200 CG2 VAL A 247 -13.028 1.071 4.049 1.00 0.00 C ATOM 0 H VAL A 247 -12.789 2.176 1.320 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.245 -0.156 2.246 1.00 0.00 H new ATOM 0 HB VAL A 247 -14.228 0.371 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -14.164 -1.383 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -13.618 -1.988 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -12.428 -1.617 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -13.819 0.964 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -12.066 0.846 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -13.020 2.094 3.672 1.00 0.00 H new ATOM 210 N PRO A 248 -11.571 -0.904 -0.279 1.00 0.00 N ATOM 211 CA PRO A 248 -11.736 -1.678 -1.504 1.00 0.00 C ATOM 212 C PRO A 248 -11.581 -3.173 -1.256 1.00 0.00 C ATOM 213 O PRO A 248 -11.364 -3.605 -0.132 1.00 0.00 O ATOM 214 CB PRO A 248 -10.583 -1.184 -2.393 1.00 0.00 C ATOM 215 CG PRO A 248 -9.789 -0.238 -1.548 1.00 0.00 C ATOM 216 CD PRO A 248 -10.183 -0.529 -0.140 1.00 0.00 C ATOM 0 HA PRO A 248 -12.726 -1.545 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -9.967 -2.017 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -10.963 -0.686 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -8.719 -0.386 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -10.006 0.798 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -9.586 -1.333 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -10.060 0.341 0.505 1.00 0.00 H new ATOM 224 N ASN A 249 -11.735 -3.962 -2.298 1.00 0.00 N ATOM 225 CA ASN A 249 -11.542 -5.398 -2.201 1.00 0.00 C ATOM 226 C ASN A 249 -10.569 -5.864 -3.271 1.00 0.00 C ATOM 227 O ASN A 249 -10.146 -5.084 -4.127 1.00 0.00 O ATOM 228 CB ASN A 249 -12.875 -6.130 -2.391 1.00 0.00 C ATOM 229 CG ASN A 249 -13.979 -5.605 -1.495 1.00 0.00 C ATOM 230 OD1 ASN A 249 -14.217 -6.129 -0.404 1.00 0.00 O ATOM 231 ND2 ASN A 249 -14.658 -4.560 -1.944 1.00 0.00 N ATOM 0 H ASN A 249 -11.995 -3.633 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 249 -11.142 -5.624 -1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 249 -13.187 -6.039 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 249 -12.730 -7.192 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 249 -15.409 -4.160 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 249 -14.430 -4.156 -2.852 1.00 0.00 H new ATOM 238 N ALA A 250 -10.228 -7.145 -3.236 1.00 0.00 N ATOM 239 CA ALA A 250 -9.392 -7.746 -4.265 1.00 0.00 C ATOM 240 C ALA A 250 -10.142 -7.828 -5.594 1.00 0.00 C ATOM 241 O ALA A 250 -9.609 -8.292 -6.594 1.00 0.00 O ATOM 242 CB ALA A 250 -8.943 -9.127 -3.834 1.00 0.00 C ATOM 0 H ALA A 250 -10.519 -7.790 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 250 -8.514 -7.115 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 250 -8.318 -9.566 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 250 -8.371 -9.052 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 250 -9.816 -9.759 -3.670 1.00 0.00 H new ATOM 248 N TYR A 251 -11.386 -7.382 -5.586 1.00 0.00 N ATOM 249 CA TYR A 251 -12.195 -7.336 -6.794 1.00 0.00 C ATOM 250 C TYR A 251 -12.336 -5.900 -7.275 1.00 0.00 C ATOM 251 O TYR A 251 -12.978 -5.630 -8.289 1.00 0.00 O ATOM 252 CB TYR A 251 -13.572 -7.958 -6.550 1.00 0.00 C ATOM 253 CG TYR A 251 -13.522 -9.450 -6.321 1.00 0.00 C ATOM 254 CD1 TYR A 251 -13.066 -9.971 -5.119 1.00 0.00 C ATOM 255 CD2 TYR A 251 -13.933 -10.339 -7.307 1.00 0.00 C ATOM 256 CE1 TYR A 251 -13.017 -11.332 -4.904 1.00 0.00 C ATOM 257 CE2 TYR A 251 -13.887 -11.703 -7.099 1.00 0.00 C ATOM 258 CZ TYR A 251 -13.428 -12.194 -5.897 1.00 0.00 C ATOM 259 OH TYR A 251 -13.383 -13.552 -5.682 1.00 0.00 O ATOM 0 H TYR A 251 -11.862 -7.044 -4.750 1.00 0.00 H new ATOM 0 HA TYR A 251 -11.694 -7.917 -7.568 1.00 0.00 H new ATOM 0 HB2 TYR A 251 -14.031 -7.480 -5.684 1.00 0.00 H new ATOM 0 HB3 TYR A 251 -14.214 -7.750 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 251 -12.744 -9.299 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 251 -14.294 -9.957 -8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 251 -12.658 -11.720 -3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 251 -14.209 -12.382 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 251 -13.708 -14.020 -6.479 1.00 0.00 H new ATOM 269 N ASP A 252 -11.703 -4.981 -6.555 1.00 0.00 N ATOM 270 CA ASP A 252 -11.737 -3.569 -6.911 1.00 0.00 C ATOM 271 C ASP A 252 -10.535 -3.248 -7.768 1.00 0.00 C ATOM 272 O ASP A 252 -9.742 -2.361 -7.445 1.00 0.00 O ATOM 273 CB ASP A 252 -11.736 -2.686 -5.662 1.00 0.00 C ATOM 274 CG ASP A 252 -13.108 -2.559 -5.039 1.00 0.00 C ATOM 275 OD1 ASP A 252 -13.480 -3.438 -4.235 1.00 0.00 O ATOM 276 OD2 ASP A 252 -13.808 -1.571 -5.337 1.00 0.00 O ATOM 0 H ASP A 252 -11.158 -5.190 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 252 -12.655 -3.368 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 252 -11.045 -3.101 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 252 -11.366 -1.694 -5.923 1.00 0.00 H new ATOM 281 N LYS A 253 -10.404 -4.007 -8.856 1.00 0.00 N ATOM 282 CA LYS A 253 -9.193 -4.009 -9.667 1.00 0.00 C ATOM 283 C LYS A 253 -8.027 -4.461 -8.793 1.00 0.00 C ATOM 284 O LYS A 253 -6.871 -4.152 -9.071 1.00 0.00 O ATOM 285 CB LYS A 253 -8.919 -2.623 -10.262 1.00 0.00 C ATOM 286 CG LYS A 253 -10.132 -1.998 -10.939 1.00 0.00 C ATOM 287 CD LYS A 253 -10.595 -2.809 -12.138 1.00 0.00 C ATOM 288 CE LYS A 253 -11.959 -2.352 -12.630 1.00 0.00 C ATOM 289 NZ LYS A 253 -11.986 -0.898 -12.940 1.00 0.00 N ATOM 0 H LYS A 253 -11.133 -4.634 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 253 -9.319 -4.696 -10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -8.573 -1.959 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -8.109 -2.702 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -10.947 -1.917 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -9.887 -0.985 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -9.867 -2.716 -12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -10.639 -3.864 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -12.230 -2.917 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -12.710 -2.574 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -12.866 -0.667 -13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -11.939 -0.353 -12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -11.171 -0.656 -13.539 1.00 0.00 H new ATOM 303 N THR A 254 -8.387 -5.180 -7.722 1.00 0.00 N ATOM 304 CA THR A 254 -7.470 -5.677 -6.706 1.00 0.00 C ATOM 305 C THR A 254 -6.824 -4.518 -5.955 1.00 0.00 C ATOM 306 O THR A 254 -5.728 -4.061 -6.278 1.00 0.00 O ATOM 307 CB THR A 254 -6.400 -6.657 -7.248 1.00 0.00 C ATOM 308 OG1 THR A 254 -5.423 -5.994 -8.061 1.00 0.00 O ATOM 309 CG2 THR A 254 -7.043 -7.767 -8.062 1.00 0.00 C ATOM 0 H THR A 254 -9.357 -5.436 -7.539 1.00 0.00 H new ATOM 0 HA THR A 254 -8.075 -6.262 -6.013 1.00 0.00 H new ATOM 0 HB THR A 254 -5.899 -7.079 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 254 -5.709 -5.072 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 254 -6.271 -8.442 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 254 -7.740 -8.322 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 254 -7.581 -7.335 -8.906 1.00 0.00 H new ATOM 317 N ALA A 255 -7.534 -4.018 -4.962 1.00 0.00 N ATOM 318 CA ALA A 255 -7.041 -2.902 -4.173 1.00 0.00 C ATOM 319 C ALA A 255 -7.104 -3.190 -2.667 1.00 0.00 C ATOM 320 O ALA A 255 -7.929 -3.978 -2.197 1.00 0.00 O ATOM 321 CB ALA A 255 -7.813 -1.647 -4.522 1.00 0.00 C ATOM 0 H ALA A 255 -8.452 -4.365 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 255 -5.990 -2.752 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 255 -7.440 -0.813 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 255 -7.685 -1.424 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 255 -8.871 -1.799 -4.309 1.00 0.00 H new ATOM 327 N LEU A 256 -6.217 -2.523 -1.934 1.00 0.00 N ATOM 328 CA LEU A 256 -6.043 -2.721 -0.482 1.00 0.00 C ATOM 329 C LEU A 256 -7.182 -2.137 0.333 1.00 0.00 C ATOM 330 O LEU A 256 -7.400 -0.929 0.305 1.00 0.00 O ATOM 331 CB LEU A 256 -4.754 -2.053 0.015 1.00 0.00 C ATOM 332 CG LEU A 256 -3.482 -2.839 -0.124 1.00 0.00 C ATOM 333 CD1 LEU A 256 -3.637 -4.145 0.594 1.00 0.00 C ATOM 334 CD2 LEU A 256 -3.226 -3.038 -1.568 1.00 0.00 C ATOM 0 H LEU A 256 -5.589 -1.822 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 256 -6.011 -3.802 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 256 -4.631 -1.112 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 256 -4.885 -1.805 1.068 1.00 0.00 H new ATOM 0 HG LEU A 256 -2.635 -2.313 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 256 -2.718 -4.724 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 256 -3.841 -3.959 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 256 -4.465 -4.704 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 256 -2.306 -3.607 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 256 -4.058 -3.584 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 256 -3.126 -2.069 -2.057 1.00 0.00 H new ATOM 346 N ALA A 257 -7.858 -2.984 1.095 1.00 0.00 N ATOM 347 CA ALA A 257 -8.893 -2.540 2.019 1.00 0.00 C ATOM 348 C ALA A 257 -8.284 -2.024 3.312 1.00 0.00 C ATOM 349 O ALA A 257 -8.136 -2.763 4.287 1.00 0.00 O ATOM 350 CB ALA A 257 -9.853 -3.670 2.302 1.00 0.00 C ATOM 0 H ALA A 257 -7.707 -3.993 1.091 1.00 0.00 H new ATOM 0 HA ALA A 257 -9.439 -1.719 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -10.623 -3.329 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -10.319 -3.993 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -9.311 -4.505 2.746 1.00 0.00 H new ATOM 356 N LEU A 258 -7.946 -0.751 3.311 1.00 0.00 N ATOM 357 CA LEU A 258 -7.272 -0.124 4.445 1.00 0.00 C ATOM 358 C LEU A 258 -7.494 1.383 4.421 1.00 0.00 C ATOM 359 O LEU A 258 -7.954 1.919 3.427 1.00 0.00 O ATOM 360 CB LEU A 258 -5.773 -0.465 4.437 1.00 0.00 C ATOM 361 CG LEU A 258 -5.157 -0.731 3.076 1.00 0.00 C ATOM 362 CD1 LEU A 258 -5.336 0.457 2.165 1.00 0.00 C ATOM 363 CD2 LEU A 258 -3.689 -1.057 3.226 1.00 0.00 C ATOM 0 H LEU A 258 -8.127 -0.119 2.531 1.00 0.00 H new ATOM 0 HA LEU A 258 -7.698 -0.516 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -5.231 0.358 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.618 -1.344 5.062 1.00 0.00 H new ATOM 0 HG LEU A 258 -5.667 -1.584 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.886 0.243 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -6.399 0.659 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -4.852 1.329 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.256 -1.246 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.176 -0.217 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -3.575 -1.944 3.850 1.00 0.00 H new ATOM 375 N GLU A 259 -7.151 2.067 5.495 1.00 0.00 N ATOM 376 CA GLU A 259 -7.561 3.449 5.656 1.00 0.00 C ATOM 377 C GLU A 259 -6.474 4.297 6.316 1.00 0.00 C ATOM 378 O GLU A 259 -5.318 3.888 6.396 1.00 0.00 O ATOM 379 CB GLU A 259 -8.831 3.480 6.497 1.00 0.00 C ATOM 380 CG GLU A 259 -8.608 3.139 7.962 1.00 0.00 C ATOM 381 CD GLU A 259 -9.906 3.026 8.727 1.00 0.00 C ATOM 382 OE1 GLU A 259 -10.483 4.070 9.084 1.00 0.00 O ATOM 383 OE2 GLU A 259 -10.363 1.887 8.964 1.00 0.00 O ATOM 0 H GLU A 259 -6.594 1.693 6.263 1.00 0.00 H new ATOM 0 HA GLU A 259 -7.742 3.876 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -9.276 4.473 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -9.551 2.778 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -8.062 2.198 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -7.984 3.906 8.421 1.00 0.00 H new ATOM 390 N VAL A 260 -6.862 5.478 6.783 1.00 0.00 N ATOM 391 CA VAL A 260 -5.957 6.368 7.502 1.00 0.00 C ATOM 392 C VAL A 260 -5.405 5.721 8.779 1.00 0.00 C ATOM 393 O VAL A 260 -6.151 5.277 9.651 1.00 0.00 O ATOM 394 CB VAL A 260 -6.646 7.711 7.853 1.00 0.00 C ATOM 395 CG1 VAL A 260 -7.956 7.481 8.596 1.00 0.00 C ATOM 396 CG2 VAL A 260 -5.713 8.594 8.669 1.00 0.00 C ATOM 0 H VAL A 260 -7.808 5.845 6.675 1.00 0.00 H new ATOM 0 HA VAL A 260 -5.121 6.564 6.831 1.00 0.00 H new ATOM 0 HB VAL A 260 -6.878 8.223 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -8.416 8.441 8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -8.631 6.897 7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -7.759 6.939 9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -6.215 9.532 8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -5.444 8.083 9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -4.811 8.800 8.093 1.00 0.00 H new ATOM 406 N GLY A 261 -4.087 5.646 8.850 1.00 0.00 N ATOM 407 CA GLY A 261 -3.412 5.206 10.057 1.00 0.00 C ATOM 408 C GLY A 261 -2.815 3.823 9.925 1.00 0.00 C ATOM 409 O GLY A 261 -2.180 3.325 10.852 1.00 0.00 O ATOM 0 H GLY A 261 -3.461 5.886 8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -2.622 5.915 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -4.119 5.214 10.886 1.00 0.00 H new ATOM 413 N GLU A 262 -3.007 3.204 8.773 1.00 0.00 N ATOM 414 CA GLU A 262 -2.655 1.798 8.609 1.00 0.00 C ATOM 415 C GLU A 262 -1.220 1.615 8.136 1.00 0.00 C ATOM 416 O GLU A 262 -0.472 2.580 7.992 1.00 0.00 O ATOM 417 CB GLU A 262 -3.614 1.121 7.638 1.00 0.00 C ATOM 418 CG GLU A 262 -5.054 1.152 8.131 1.00 0.00 C ATOM 419 CD GLU A 262 -5.844 -0.083 7.735 1.00 0.00 C ATOM 420 OE1 GLU A 262 -5.228 -1.101 7.346 1.00 0.00 O ATOM 421 OE2 GLU A 262 -7.088 -0.040 7.819 1.00 0.00 O ATOM 0 H GLU A 262 -3.401 3.645 7.942 1.00 0.00 H new ATOM 0 HA GLU A 262 -2.740 1.330 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 262 -3.554 1.615 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 262 -3.306 0.086 7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 262 -5.058 1.246 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 262 -5.550 2.037 7.732 1.00 0.00 H new ATOM 428 N LEU A 263 -0.842 0.367 7.917 1.00 0.00 N ATOM 429 CA LEU A 263 0.476 0.039 7.412 1.00 0.00 C ATOM 430 C LEU A 263 0.362 -1.068 6.374 1.00 0.00 C ATOM 431 O LEU A 263 -0.150 -2.151 6.654 1.00 0.00 O ATOM 432 CB LEU A 263 1.397 -0.374 8.574 1.00 0.00 C ATOM 433 CG LEU A 263 2.886 -0.567 8.237 1.00 0.00 C ATOM 434 CD1 LEU A 263 3.123 -1.855 7.463 1.00 0.00 C ATOM 435 CD2 LEU A 263 3.417 0.624 7.462 1.00 0.00 C ATOM 0 H LEU A 263 -1.439 -0.443 8.084 1.00 0.00 H new ATOM 0 HA LEU A 263 0.915 0.914 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 263 1.320 0.382 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 263 1.019 -1.306 8.994 1.00 0.00 H new ATOM 0 HG LEU A 263 3.429 -0.642 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 263 4.186 -1.957 7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 263 2.793 -2.705 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 263 2.560 -1.828 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 263 4.471 0.468 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 263 2.856 0.733 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 263 3.305 1.527 8.062 1.00 0.00 H new ATOM 447 N VAL A 264 0.839 -0.786 5.176 1.00 0.00 N ATOM 448 CA VAL A 264 0.830 -1.758 4.099 1.00 0.00 C ATOM 449 C VAL A 264 2.254 -2.119 3.711 1.00 0.00 C ATOM 450 O VAL A 264 3.088 -1.241 3.483 1.00 0.00 O ATOM 451 CB VAL A 264 0.046 -1.250 2.860 1.00 0.00 C ATOM 452 CG1 VAL A 264 0.425 0.182 2.512 1.00 0.00 C ATOM 453 CG2 VAL A 264 0.283 -2.156 1.659 1.00 0.00 C ATOM 0 H VAL A 264 1.241 0.117 4.923 1.00 0.00 H new ATOM 0 HA VAL A 264 0.317 -2.648 4.464 1.00 0.00 H new ATOM 0 HB VAL A 264 -1.014 -1.272 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 264 -0.142 0.507 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 264 0.198 0.834 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 264 1.491 0.233 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -0.277 -1.779 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 264 1.346 -2.171 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -0.050 -3.167 1.894 1.00 0.00 H new ATOM 463 N LYS A 265 2.529 -3.407 3.655 1.00 0.00 N ATOM 464 CA LYS A 265 3.846 -3.882 3.295 1.00 0.00 C ATOM 465 C LYS A 265 3.848 -4.269 1.822 1.00 0.00 C ATOM 466 O LYS A 265 3.457 -5.374 1.451 1.00 0.00 O ATOM 467 CB LYS A 265 4.231 -5.068 4.181 1.00 0.00 C ATOM 468 CG LYS A 265 5.716 -5.375 4.176 1.00 0.00 C ATOM 469 CD LYS A 265 6.061 -6.401 5.240 1.00 0.00 C ATOM 470 CE LYS A 265 7.563 -6.571 5.399 1.00 0.00 C ATOM 471 NZ LYS A 265 7.892 -7.502 6.509 1.00 0.00 N ATOM 0 H LYS A 265 1.853 -4.144 3.855 1.00 0.00 H new ATOM 0 HA LYS A 265 4.584 -3.096 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 265 3.914 -4.864 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 265 3.685 -5.951 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 265 6.011 -5.749 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 265 6.281 -4.460 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 265 5.628 -6.096 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 265 5.613 -7.360 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 265 7.988 -6.948 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 265 8.022 -5.601 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 8.666 -8.131 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 8.186 -6.956 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 7.054 -8.071 6.745 1.00 0.00 H new ATOM 485 N VAL A 266 4.271 -3.337 0.991 1.00 0.00 N ATOM 486 CA VAL A 266 4.238 -3.510 -0.444 1.00 0.00 C ATOM 487 C VAL A 266 5.184 -4.605 -0.914 1.00 0.00 C ATOM 488 O VAL A 266 6.386 -4.563 -0.650 1.00 0.00 O ATOM 489 CB VAL A 266 4.546 -2.173 -1.123 1.00 0.00 C ATOM 490 CG1 VAL A 266 4.936 -2.346 -2.576 1.00 0.00 C ATOM 491 CG2 VAL A 266 3.341 -1.268 -0.998 1.00 0.00 C ATOM 0 H VAL A 266 4.647 -2.439 1.294 1.00 0.00 H new ATOM 0 HA VAL A 266 3.237 -3.834 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 266 5.403 -1.723 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 266 5.145 -1.371 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 266 5.826 -2.972 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 266 4.118 -2.820 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 266 3.552 -0.313 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 266 2.483 -1.736 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 266 3.118 -1.102 0.056 1.00 0.00 H new ATOM 501 N THR A 267 4.609 -5.578 -1.611 1.00 0.00 N ATOM 502 CA THR A 267 5.323 -6.765 -2.042 1.00 0.00 C ATOM 503 C THR A 267 5.834 -6.631 -3.457 1.00 0.00 C ATOM 504 O THR A 267 6.807 -7.283 -3.835 1.00 0.00 O ATOM 505 CB THR A 267 4.409 -7.995 -1.940 1.00 0.00 C ATOM 506 OG1 THR A 267 3.177 -7.740 -2.632 1.00 0.00 O ATOM 507 CG2 THR A 267 4.111 -8.318 -0.487 1.00 0.00 C ATOM 0 H THR A 267 3.629 -5.562 -1.893 1.00 0.00 H new ATOM 0 HA THR A 267 6.183 -6.887 -1.384 1.00 0.00 H new ATOM 0 HB THR A 267 4.919 -8.845 -2.394 1.00 0.00 H new ATOM 0 HG1 THR A 267 2.596 -8.527 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 267 3.462 -9.192 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 267 5.043 -8.526 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 267 3.613 -7.468 -0.020 1.00 0.00 H new ATOM 515 N LYS A 268 5.200 -5.787 -4.245 1.00 0.00 N ATOM 516 CA LYS A 268 5.680 -5.569 -5.582 1.00 0.00 C ATOM 517 C LYS A 268 6.054 -4.126 -5.751 1.00 0.00 C ATOM 518 O LYS A 268 5.203 -3.252 -5.851 1.00 0.00 O ATOM 519 CB LYS A 268 4.675 -5.998 -6.633 1.00 0.00 C ATOM 520 CG LYS A 268 5.318 -6.880 -7.682 1.00 0.00 C ATOM 521 CD LYS A 268 6.519 -6.200 -8.307 1.00 0.00 C ATOM 522 CE LYS A 268 6.107 -5.015 -9.172 1.00 0.00 C ATOM 523 NZ LYS A 268 7.273 -4.379 -9.839 1.00 0.00 N ATOM 0 H LYS A 268 4.370 -5.254 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 268 6.563 -6.191 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 268 3.855 -6.535 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 268 4.245 -5.117 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 268 5.625 -7.823 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 268 4.589 -7.120 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 268 7.195 -5.860 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 268 7.070 -6.919 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 268 5.395 -5.348 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 268 5.595 -4.276 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 6.947 -3.836 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 7.750 -3.741 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 7.939 -5.115 -10.150 1.00 0.00 H new ATOM 537 N ILE A 269 7.342 -3.906 -5.806 1.00 0.00 N ATOM 538 CA ILE A 269 7.894 -2.571 -5.705 1.00 0.00 C ATOM 539 C ILE A 269 8.207 -1.922 -7.048 1.00 0.00 C ATOM 540 O ILE A 269 8.370 -2.590 -8.070 1.00 0.00 O ATOM 541 CB ILE A 269 9.140 -2.546 -4.789 1.00 0.00 C ATOM 542 CG1 ILE A 269 10.010 -3.793 -4.975 1.00 0.00 C ATOM 543 CG2 ILE A 269 8.686 -2.460 -3.352 1.00 0.00 C ATOM 544 CD1 ILE A 269 10.289 -4.119 -6.416 1.00 0.00 C ATOM 0 H ILE A 269 8.039 -4.641 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 269 7.104 -1.969 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 269 9.744 -1.679 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 269 10.956 -3.647 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 269 9.516 -4.644 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 269 9.556 -2.442 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 269 8.104 -1.550 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 269 8.069 -3.326 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 269 10.910 -5.013 -6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 269 9.348 -4.296 -6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 269 10.811 -3.284 -6.883 1.00 0.00 H new ATOM 556 N ASN A 270 8.206 -0.601 -7.027 1.00 0.00 N ATOM 557 CA ASN A 270 8.647 0.211 -8.154 1.00 0.00 C ATOM 558 C ASN A 270 9.305 1.486 -7.644 1.00 0.00 C ATOM 559 O ASN A 270 9.499 1.634 -6.442 1.00 0.00 O ATOM 560 CB ASN A 270 7.499 0.530 -9.128 1.00 0.00 C ATOM 561 CG ASN A 270 6.190 0.949 -8.471 1.00 0.00 C ATOM 562 OD1 ASN A 270 6.252 1.726 -7.402 1.00 0.00 O flip ATOM 563 ND2 ASN A 270 5.116 0.594 -8.951 1.00 0.00 N flip ATOM 0 H ASN A 270 7.897 -0.055 -6.223 1.00 0.00 H new ATOM 0 HA ASN A 270 9.379 -0.367 -8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 270 7.823 1.327 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 270 7.312 -0.349 -9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 270 5.099 -0.005 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 270 4.241 0.899 -8.524 1.00 0.00 H new ATOM 570 N VAL A 271 9.630 2.410 -8.530 1.00 0.00 N ATOM 571 CA VAL A 271 10.222 3.672 -8.106 1.00 0.00 C ATOM 572 C VAL A 271 9.150 4.738 -7.909 1.00 0.00 C ATOM 573 O VAL A 271 9.183 5.497 -6.940 1.00 0.00 O ATOM 574 CB VAL A 271 11.265 4.180 -9.114 1.00 0.00 C ATOM 575 CG1 VAL A 271 11.898 5.477 -8.630 1.00 0.00 C ATOM 576 CG2 VAL A 271 12.330 3.124 -9.363 1.00 0.00 C ATOM 0 H VAL A 271 9.497 2.316 -9.537 1.00 0.00 H new ATOM 0 HA VAL A 271 10.722 3.482 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 271 10.756 4.381 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 271 12.633 5.818 -9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 271 11.125 6.237 -8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 271 12.390 5.307 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 271 13.058 3.504 -10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 271 12.833 2.886 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 271 11.863 2.224 -9.763 1.00 0.00 H new ATOM 586 N SER A 272 8.189 4.766 -8.825 1.00 0.00 N ATOM 587 CA SER A 272 7.151 5.792 -8.837 1.00 0.00 C ATOM 588 C SER A 272 6.332 5.823 -7.549 1.00 0.00 C ATOM 589 O SER A 272 6.040 6.892 -7.022 1.00 0.00 O ATOM 590 CB SER A 272 6.227 5.549 -10.017 1.00 0.00 C ATOM 591 OG SER A 272 6.026 4.158 -10.201 1.00 0.00 O ATOM 0 H SER A 272 8.107 4.082 -9.577 1.00 0.00 H new ATOM 0 HA SER A 272 7.648 6.758 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 272 5.270 6.043 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 272 6.655 5.985 -10.920 1.00 0.00 H new ATOM 0 HG SER A 272 5.866 3.973 -11.150 1.00 0.00 H new ATOM 597 N GLY A 273 5.952 4.653 -7.055 1.00 0.00 N ATOM 598 CA GLY A 273 5.171 4.593 -5.843 1.00 0.00 C ATOM 599 C GLY A 273 3.786 4.027 -6.069 1.00 0.00 C ATOM 600 O GLY A 273 3.033 3.840 -5.122 1.00 0.00 O ATOM 0 H GLY A 273 6.171 3.749 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 273 5.694 3.981 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 273 5.086 5.594 -5.421 1.00 0.00 H new ATOM 604 N GLN A 274 3.436 3.750 -7.320 1.00 0.00 N ATOM 605 CA GLN A 274 2.142 3.133 -7.613 1.00 0.00 C ATOM 606 C GLN A 274 2.308 1.629 -7.738 1.00 0.00 C ATOM 607 O GLN A 274 2.210 1.056 -8.821 1.00 0.00 O ATOM 608 CB GLN A 274 1.467 3.723 -8.866 1.00 0.00 C ATOM 609 CG GLN A 274 2.347 4.614 -9.737 1.00 0.00 C ATOM 610 CD GLN A 274 3.132 3.865 -10.807 1.00 0.00 C ATOM 611 OE1 GLN A 274 3.509 2.627 -10.538 1.00 0.00 O flip ATOM 612 NE2 GLN A 274 3.407 4.410 -11.875 1.00 0.00 N flip ATOM 0 H GLN A 274 4.017 3.938 -8.137 1.00 0.00 H new ATOM 0 HA GLN A 274 1.476 3.356 -6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 274 1.097 2.900 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 274 0.598 4.300 -8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 274 1.720 5.363 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 274 3.048 5.150 -9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 274 3.102 5.367 -12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 274 3.940 3.905 -12.583 1.00 0.00 H new ATOM 621 N TRP A 275 2.533 1.003 -6.606 1.00 0.00 N ATOM 622 CA TRP A 275 2.954 -0.386 -6.563 1.00 0.00 C ATOM 623 C TRP A 275 1.875 -1.280 -5.979 1.00 0.00 C ATOM 624 O TRP A 275 0.799 -0.815 -5.598 1.00 0.00 O ATOM 625 CB TRP A 275 4.246 -0.525 -5.756 1.00 0.00 C ATOM 626 CG TRP A 275 4.393 0.446 -4.627 1.00 0.00 C ATOM 627 CD1 TRP A 275 3.423 0.953 -3.818 1.00 0.00 C ATOM 628 CD2 TRP A 275 5.620 1.006 -4.181 1.00 0.00 C ATOM 629 NE1 TRP A 275 3.978 1.828 -2.918 1.00 0.00 N ATOM 630 CE2 TRP A 275 5.331 1.866 -3.116 1.00 0.00 C ATOM 631 CE3 TRP A 275 6.938 0.863 -4.598 1.00 0.00 C ATOM 632 CZ2 TRP A 275 6.320 2.580 -2.454 1.00 0.00 C ATOM 633 CZ3 TRP A 275 7.920 1.565 -3.948 1.00 0.00 C ATOM 634 CH2 TRP A 275 7.610 2.418 -2.884 1.00 0.00 C ATOM 0 H TRP A 275 2.431 1.437 -5.689 1.00 0.00 H new ATOM 0 HA TRP A 275 3.135 -0.708 -7.589 1.00 0.00 H new ATOM 0 HB2 TRP A 275 4.299 -1.537 -5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 275 5.093 -0.405 -6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 275 2.374 0.704 -3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 275 3.466 2.362 -2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 275 7.185 0.209 -5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 275 6.081 3.238 -1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 275 8.948 1.458 -4.262 1.00 0.00 H new ATOM 0 HH2 TRP A 275 8.404 2.960 -2.392 1.00 0.00 H new ATOM 645 N GLU A 276 2.165 -2.569 -5.920 1.00 0.00 N ATOM 646 CA GLU A 276 1.232 -3.529 -5.371 1.00 0.00 C ATOM 647 C GLU A 276 1.492 -3.670 -3.880 1.00 0.00 C ATOM 648 O GLU A 276 2.606 -3.991 -3.464 1.00 0.00 O ATOM 649 CB GLU A 276 1.402 -4.883 -6.065 1.00 0.00 C ATOM 650 CG GLU A 276 0.118 -5.684 -6.177 1.00 0.00 C ATOM 651 CD GLU A 276 0.363 -7.159 -6.401 1.00 0.00 C ATOM 652 OE1 GLU A 276 1.376 -7.512 -7.040 1.00 0.00 O ATOM 653 OE2 GLU A 276 -0.457 -7.974 -5.937 1.00 0.00 O ATOM 0 H GLU A 276 3.043 -2.972 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 276 0.211 -3.184 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 276 1.805 -4.719 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 276 2.138 -5.471 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 276 -0.467 -5.552 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 276 -0.479 -5.291 -7.000 1.00 0.00 H new ATOM 660 N GLY A 277 0.460 -3.470 -3.088 1.00 0.00 N ATOM 661 CA GLY A 277 0.614 -3.449 -1.660 1.00 0.00 C ATOM 662 C GLY A 277 -0.023 -4.659 -1.016 1.00 0.00 C ATOM 663 O GLY A 277 -1.070 -5.127 -1.462 1.00 0.00 O ATOM 0 H GLY A 277 -0.494 -3.320 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 277 1.674 -3.417 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 277 0.163 -2.542 -1.258 1.00 0.00 H new ATOM 667 N GLU A 278 0.609 -5.193 0.008 1.00 0.00 N ATOM 668 CA GLU A 278 -0.020 -6.220 0.806 1.00 0.00 C ATOM 669 C GLU A 278 0.032 -5.817 2.265 1.00 0.00 C ATOM 670 O GLU A 278 1.100 -5.651 2.843 1.00 0.00 O ATOM 671 CB GLU A 278 0.652 -7.577 0.598 1.00 0.00 C ATOM 672 CG GLU A 278 0.131 -8.657 1.539 1.00 0.00 C ATOM 673 CD GLU A 278 0.967 -9.920 1.525 1.00 0.00 C ATOM 674 OE1 GLU A 278 0.710 -10.801 0.679 1.00 0.00 O ATOM 675 OE2 GLU A 278 1.865 -10.051 2.382 1.00 0.00 O ATOM 0 H GLU A 278 1.550 -4.935 0.304 1.00 0.00 H new ATOM 0 HA GLU A 278 -1.059 -6.322 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 278 0.498 -7.897 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 278 1.727 -7.468 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 278 0.101 -8.261 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 278 -0.894 -8.905 1.263 1.00 0.00 H new ATOM 682 N CYS A 279 -1.122 -5.656 2.867 1.00 0.00 N ATOM 683 CA CYS A 279 -1.172 -5.244 4.242 1.00 0.00 C ATOM 684 C CYS A 279 -1.566 -6.419 5.106 1.00 0.00 C ATOM 685 O CYS A 279 -2.750 -6.725 5.236 1.00 0.00 O ATOM 686 CB CYS A 279 -2.154 -4.078 4.392 1.00 0.00 C ATOM 687 SG CYS A 279 -2.552 -3.639 6.099 1.00 0.00 S ATOM 0 H CYS A 279 -2.030 -5.804 2.427 1.00 0.00 H new ATOM 0 HA CYS A 279 -0.190 -4.900 4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 279 -1.736 -3.203 3.894 1.00 0.00 H new ATOM 0 HB3 CYS A 279 -3.078 -4.330 3.871 1.00 0.00 H new ATOM 0 HG CYS A 279 -1.493 -3.161 6.682 1.00 0.00 H new ATOM 693 N ASN A 280 -0.538 -7.064 5.675 1.00 0.00 N ATOM 694 CA ASN A 280 -0.684 -8.236 6.547 1.00 0.00 C ATOM 695 C ASN A 280 -1.928 -9.069 6.226 1.00 0.00 C ATOM 696 O ASN A 280 -2.811 -9.243 7.063 1.00 0.00 O ATOM 697 CB ASN A 280 -0.646 -7.824 8.031 1.00 0.00 C ATOM 698 CG ASN A 280 -1.351 -6.508 8.316 1.00 0.00 C ATOM 699 OD1 ASN A 280 -2.556 -6.474 8.556 1.00 0.00 O ATOM 700 ND2 ASN A 280 -0.595 -5.410 8.320 1.00 0.00 N ATOM 0 H ASN A 280 0.433 -6.781 5.540 1.00 0.00 H new ATOM 0 HA ASN A 280 0.170 -8.883 6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -1.106 -8.610 8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 280 0.393 -7.747 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 280 -1.014 -4.503 8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 280 0.402 -5.477 8.116 1.00 0.00 H new ATOM 707 N GLY A 281 -1.987 -9.577 4.998 1.00 0.00 N ATOM 708 CA GLY A 281 -3.101 -10.417 4.591 1.00 0.00 C ATOM 709 C GLY A 281 -3.942 -9.806 3.483 1.00 0.00 C ATOM 710 O GLY A 281 -4.520 -10.528 2.669 1.00 0.00 O ATOM 0 H GLY A 281 -1.283 -9.422 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 281 -2.717 -11.381 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 281 -3.736 -10.610 5.455 1.00 0.00 H new ATOM 714 N LYS A 282 -4.019 -8.484 3.443 1.00 0.00 N ATOM 715 CA LYS A 282 -4.787 -7.798 2.407 1.00 0.00 C ATOM 716 C LYS A 282 -3.931 -7.595 1.156 1.00 0.00 C ATOM 717 O LYS A 282 -2.801 -7.135 1.252 1.00 0.00 O ATOM 718 CB LYS A 282 -5.297 -6.448 2.931 1.00 0.00 C ATOM 719 CG LYS A 282 -6.284 -6.580 4.086 1.00 0.00 C ATOM 720 CD LYS A 282 -5.773 -5.926 5.366 1.00 0.00 C ATOM 721 CE LYS A 282 -5.805 -4.405 5.293 1.00 0.00 C ATOM 722 NZ LYS A 282 -5.629 -3.779 6.634 1.00 0.00 N ATOM 0 H LYS A 282 -3.562 -7.864 4.112 1.00 0.00 H new ATOM 0 HA LYS A 282 -5.645 -8.416 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -4.447 -5.848 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -5.775 -5.907 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -7.233 -6.125 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -6.480 -7.636 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -6.379 -6.260 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -4.752 -6.257 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -5.018 -4.057 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -6.753 -4.082 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -6.031 -2.820 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -6.117 -4.352 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -4.616 -3.728 6.863 1.00 0.00 H new ATOM 736 N ARG A 283 -4.468 -7.940 -0.010 1.00 0.00 N ATOM 737 CA ARG A 283 -3.722 -7.822 -1.266 1.00 0.00 C ATOM 738 C ARG A 283 -4.340 -6.785 -2.192 1.00 0.00 C ATOM 739 O ARG A 283 -5.549 -6.555 -2.163 1.00 0.00 O ATOM 740 CB ARG A 283 -3.675 -9.164 -1.997 1.00 0.00 C ATOM 741 CG ARG A 283 -2.658 -10.141 -1.453 1.00 0.00 C ATOM 742 CD ARG A 283 -1.263 -9.607 -1.647 1.00 0.00 C ATOM 743 NE ARG A 283 -0.887 -9.530 -3.060 1.00 0.00 N ATOM 744 CZ ARG A 283 -0.227 -10.488 -3.716 1.00 0.00 C ATOM 745 NH1 ARG A 283 0.080 -11.628 -3.115 1.00 0.00 N ATOM 746 NH2 ARG A 283 0.113 -10.307 -4.981 1.00 0.00 N ATOM 0 H ARG A 283 -5.415 -8.303 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 283 -2.712 -7.506 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -4.662 -9.623 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -3.458 -8.982 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -2.843 -10.317 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -2.760 -11.102 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -1.191 -8.616 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -0.555 -10.247 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 283 -1.146 -8.690 -3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -0.188 -11.780 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 283 0.584 -12.354 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -0.129 -9.437 -5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 283 0.617 -11.038 -5.483 1.00 0.00 H new ATOM 760 N GLY A 284 -3.497 -6.159 -3.000 1.00 0.00 N ATOM 761 CA GLY A 284 -3.977 -5.254 -4.033 1.00 0.00 C ATOM 762 C GLY A 284 -2.887 -4.309 -4.481 1.00 0.00 C ATOM 763 O GLY A 284 -1.728 -4.560 -4.210 1.00 0.00 O ATOM 0 H GLY A 284 -2.483 -6.260 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 284 -4.336 -5.830 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 284 -4.824 -4.683 -3.654 1.00 0.00 H new ATOM 767 N HIS A 285 -3.242 -3.213 -5.139 1.00 0.00 N ATOM 768 CA HIS A 285 -2.242 -2.226 -5.557 1.00 0.00 C ATOM 769 C HIS A 285 -2.730 -0.806 -5.294 1.00 0.00 C ATOM 770 O HIS A 285 -3.929 -0.536 -5.369 1.00 0.00 O ATOM 771 CB HIS A 285 -1.876 -2.391 -7.037 1.00 0.00 C ATOM 772 CG HIS A 285 -3.028 -2.237 -7.984 1.00 0.00 C ATOM 773 ND1 HIS A 285 -3.449 -1.019 -8.463 1.00 0.00 N ATOM 774 CD2 HIS A 285 -3.849 -3.158 -8.535 1.00 0.00 C ATOM 775 CE1 HIS A 285 -4.481 -1.195 -9.263 1.00 0.00 C ATOM 776 NE2 HIS A 285 -4.746 -2.486 -9.328 1.00 0.00 N ATOM 0 H HIS A 285 -4.202 -2.982 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 285 -1.346 -2.403 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 285 -1.111 -1.658 -7.293 1.00 0.00 H new ATOM 0 HB3 HIS A 285 -1.433 -3.377 -7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 285 -3.807 -4.226 -8.380 1.00 0.00 H new ATOM 0 HE1 HIS A 285 -5.020 -0.414 -9.779 1.00 0.00 H new ATOM 0 HE2 HIS A 285 -5.493 -2.913 -9.876 1.00 0.00 H new ATOM 785 N PHE A 286 -1.798 0.100 -5.001 1.00 0.00 N ATOM 786 CA PHE A 286 -2.138 1.468 -4.621 1.00 0.00 C ATOM 787 C PHE A 286 -0.937 2.408 -4.787 1.00 0.00 C ATOM 788 O PHE A 286 0.213 1.962 -4.817 1.00 0.00 O ATOM 789 CB PHE A 286 -2.636 1.489 -3.172 1.00 0.00 C ATOM 790 CG PHE A 286 -4.135 1.510 -3.052 1.00 0.00 C ATOM 791 CD1 PHE A 286 -4.854 2.640 -3.401 1.00 0.00 C ATOM 792 CD2 PHE A 286 -4.819 0.404 -2.591 1.00 0.00 C ATOM 793 CE1 PHE A 286 -6.228 2.669 -3.291 1.00 0.00 C ATOM 794 CE2 PHE A 286 -6.197 0.427 -2.477 1.00 0.00 C ATOM 795 CZ PHE A 286 -6.901 1.560 -2.830 1.00 0.00 C ATOM 0 H PHE A 286 -0.796 -0.092 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 286 -2.929 1.824 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 286 -2.250 0.613 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 286 -2.227 2.365 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 286 -4.331 3.512 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 286 -4.274 -0.487 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 286 -6.775 3.559 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 286 -6.723 -0.443 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 286 -7.978 1.577 -2.745 1.00 0.00 H new ATOM 805 N PRO A 287 -1.195 3.729 -4.897 1.00 0.00 N ATOM 806 CA PRO A 287 -0.158 4.731 -5.085 1.00 0.00 C ATOM 807 C PRO A 287 0.331 5.336 -3.766 1.00 0.00 C ATOM 808 O PRO A 287 -0.431 5.467 -2.797 1.00 0.00 O ATOM 809 CB PRO A 287 -0.871 5.786 -5.926 1.00 0.00 C ATOM 810 CG PRO A 287 -2.318 5.688 -5.552 1.00 0.00 C ATOM 811 CD PRO A 287 -2.525 4.355 -4.867 1.00 0.00 C ATOM 0 HA PRO A 287 0.740 4.317 -5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 287 -0.479 6.782 -5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 287 -0.728 5.601 -6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 287 -2.598 6.507 -4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 287 -2.948 5.765 -6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 287 -2.883 4.483 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 287 -3.264 3.748 -5.390 1.00 0.00 H new ATOM 819 N PHE A 288 1.599 5.727 -3.755 1.00 0.00 N ATOM 820 CA PHE A 288 2.263 6.212 -2.545 1.00 0.00 C ATOM 821 C PHE A 288 1.831 7.632 -2.177 1.00 0.00 C ATOM 822 O PHE A 288 2.152 8.127 -1.098 1.00 0.00 O ATOM 823 CB PHE A 288 3.786 6.169 -2.727 1.00 0.00 C ATOM 824 CG PHE A 288 4.361 7.361 -3.448 1.00 0.00 C ATOM 825 CD1 PHE A 288 3.862 7.752 -4.677 1.00 0.00 C ATOM 826 CD2 PHE A 288 5.400 8.091 -2.889 1.00 0.00 C ATOM 827 CE1 PHE A 288 4.383 8.846 -5.341 1.00 0.00 C ATOM 828 CE2 PHE A 288 5.929 9.184 -3.548 1.00 0.00 C ATOM 829 CZ PHE A 288 5.417 9.564 -4.774 1.00 0.00 C ATOM 0 H PHE A 288 2.198 5.718 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 288 1.966 5.553 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 288 4.255 6.092 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 288 4.049 5.265 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 288 3.053 7.194 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 288 5.800 7.802 -1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 288 3.983 9.139 -6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 288 6.742 9.741 -3.105 1.00 0.00 H new ATOM 0 HZ PHE A 288 5.825 10.422 -5.288 1.00 0.00 H new ATOM 839 N THR A 289 1.094 8.271 -3.074 1.00 0.00 N ATOM 840 CA THR A 289 0.729 9.673 -2.917 1.00 0.00 C ATOM 841 C THR A 289 -0.145 9.905 -1.675 1.00 0.00 C ATOM 842 O THR A 289 -0.159 10.998 -1.115 1.00 0.00 O ATOM 843 CB THR A 289 0.018 10.197 -4.187 1.00 0.00 C ATOM 844 OG1 THR A 289 -0.279 11.591 -4.066 1.00 0.00 O ATOM 845 CG2 THR A 289 -1.262 9.421 -4.454 1.00 0.00 C ATOM 0 H THR A 289 0.734 7.838 -3.924 1.00 0.00 H new ATOM 0 HA THR A 289 1.653 10.234 -2.774 1.00 0.00 H new ATOM 0 HB THR A 289 0.697 10.053 -5.027 1.00 0.00 H new ATOM 0 HG1 THR A 289 -0.727 11.902 -4.880 1.00 0.00 H new ATOM 0 HG21 THR A 289 -1.742 9.809 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 289 -1.025 8.367 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 289 -1.937 9.530 -3.605 1.00 0.00 H new ATOM 853 N HIS A 290 -0.856 8.876 -1.232 1.00 0.00 N ATOM 854 CA HIS A 290 -1.688 9.000 -0.040 1.00 0.00 C ATOM 855 C HIS A 290 -1.284 7.987 1.027 1.00 0.00 C ATOM 856 O HIS A 290 -2.126 7.417 1.726 1.00 0.00 O ATOM 857 CB HIS A 290 -3.188 8.923 -0.385 1.00 0.00 C ATOM 858 CG HIS A 290 -3.608 7.789 -1.271 1.00 0.00 C ATOM 859 ND1 HIS A 290 -4.497 7.956 -2.310 1.00 0.00 N ATOM 860 CD2 HIS A 290 -3.311 6.472 -1.246 1.00 0.00 C ATOM 861 CE1 HIS A 290 -4.733 6.796 -2.880 1.00 0.00 C ATOM 862 NE2 HIS A 290 -4.026 5.873 -2.258 1.00 0.00 N ATOM 0 H HIS A 290 -0.875 7.956 -1.673 1.00 0.00 H new ATOM 0 HA HIS A 290 -1.517 9.990 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 290 -3.750 8.856 0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 290 -3.477 9.858 -0.865 1.00 0.00 H new ATOM 0 HD1 HIS A 290 -4.909 8.845 -2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 290 -2.638 5.980 -0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 290 -5.394 6.627 -3.717 1.00 0.00 H new ATOM 871 N VAL A 291 0.025 7.771 1.132 1.00 0.00 N ATOM 872 CA VAL A 291 0.616 6.998 2.218 1.00 0.00 C ATOM 873 C VAL A 291 1.964 7.606 2.599 1.00 0.00 C ATOM 874 O VAL A 291 2.543 8.372 1.831 1.00 0.00 O ATOM 875 CB VAL A 291 0.821 5.500 1.865 1.00 0.00 C ATOM 876 CG1 VAL A 291 -0.504 4.795 1.626 1.00 0.00 C ATOM 877 CG2 VAL A 291 1.725 5.341 0.659 1.00 0.00 C ATOM 0 H VAL A 291 0.707 8.129 0.463 1.00 0.00 H new ATOM 0 HA VAL A 291 -0.086 7.040 3.051 1.00 0.00 H new ATOM 0 HB VAL A 291 1.303 5.032 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -0.321 3.749 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -1.116 4.855 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.027 5.275 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 291 1.850 4.282 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.278 5.843 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.698 5.784 0.872 1.00 0.00 H new ATOM 887 N ARG A 292 2.450 7.275 3.783 1.00 0.00 N ATOM 888 CA ARG A 292 3.735 7.764 4.258 1.00 0.00 C ATOM 889 C ARG A 292 4.650 6.574 4.446 1.00 0.00 C ATOM 890 O ARG A 292 4.499 5.811 5.390 1.00 0.00 O ATOM 891 CB ARG A 292 3.563 8.515 5.579 1.00 0.00 C ATOM 892 CG ARG A 292 2.411 9.505 5.561 1.00 0.00 C ATOM 893 CD ARG A 292 2.604 10.584 4.500 1.00 0.00 C ATOM 894 NE ARG A 292 3.720 11.478 4.811 1.00 0.00 N ATOM 895 CZ ARG A 292 4.461 12.097 3.888 1.00 0.00 C ATOM 896 NH1 ARG A 292 4.222 11.900 2.596 1.00 0.00 N ATOM 897 NH2 ARG A 292 5.431 12.926 4.260 1.00 0.00 N ATOM 0 H ARG A 292 1.968 6.662 4.441 1.00 0.00 H new ATOM 0 HA ARG A 292 4.163 8.456 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 292 3.401 7.794 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 292 4.486 9.046 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 292 1.478 8.973 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 292 2.319 9.972 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 292 2.779 10.112 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 292 1.688 11.168 4.409 1.00 0.00 H new ATOM 0 HE ARG A 292 3.946 11.638 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 292 3.470 11.274 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 292 4.790 12.375 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 292 5.610 13.090 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 292 5.997 13.398 3.555 1.00 0.00 H new ATOM 911 N LEU A 293 5.608 6.419 3.564 1.00 0.00 N ATOM 912 CA LEU A 293 6.321 5.175 3.477 1.00 0.00 C ATOM 913 C LEU A 293 7.694 5.234 4.113 1.00 0.00 C ATOM 914 O LEU A 293 8.491 6.136 3.852 1.00 0.00 O ATOM 915 CB LEU A 293 6.423 4.725 2.021 1.00 0.00 C ATOM 916 CG LEU A 293 6.574 5.836 0.973 1.00 0.00 C ATOM 917 CD1 LEU A 293 7.235 5.299 -0.283 1.00 0.00 C ATOM 918 CD2 LEU A 293 5.224 6.435 0.629 1.00 0.00 C ATOM 0 H LEU A 293 5.908 7.135 2.902 1.00 0.00 H new ATOM 0 HA LEU A 293 5.748 4.442 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 293 7.275 4.052 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 293 5.532 4.146 1.779 1.00 0.00 H new ATOM 0 HG LEU A 293 7.206 6.616 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 293 7.333 6.102 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 293 8.223 4.910 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 293 6.624 4.499 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 293 5.354 7.221 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 293 4.573 5.658 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 293 4.774 6.857 1.527 1.00 0.00 H new ATOM 930 N LEU A 294 7.937 4.265 4.971 1.00 0.00 N ATOM 931 CA LEU A 294 9.251 4.011 5.495 1.00 0.00 C ATOM 932 C LEU A 294 9.925 2.962 4.635 1.00 0.00 C ATOM 933 O LEU A 294 9.291 2.320 3.779 1.00 0.00 O ATOM 934 CB LEU A 294 9.205 3.531 6.948 1.00 0.00 C ATOM 935 CG LEU A 294 8.413 4.418 7.895 1.00 0.00 C ATOM 936 CD1 LEU A 294 6.982 3.935 7.958 1.00 0.00 C ATOM 937 CD2 LEU A 294 9.052 4.442 9.276 1.00 0.00 C ATOM 0 H LEU A 294 7.220 3.631 5.323 1.00 0.00 H new ATOM 0 HA LEU A 294 9.813 4.945 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 294 8.777 2.529 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 294 10.226 3.449 7.320 1.00 0.00 H new ATOM 0 HG LEU A 294 8.420 5.441 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 294 6.413 4.570 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 294 6.539 3.979 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 294 6.961 2.907 8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 294 8.468 5.083 9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 294 9.079 3.431 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 294 10.068 4.829 9.200 1.00 0.00 H new