USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 110:sc= -1.37 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.866! C(o=-2.2!,f=0.017!) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -3.15 K(o=-4.1,f=0.063) USER MOD Set 2.2: A 256 GLN : amide:sc= -0.968 K(o=-4.1,f=-0.67) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.073) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 160:sc= -1.67! USER MOD Single : A 247 GLN : amide:sc= -0.138 K(o=-0.14,f=-7.1!) USER MOD Single : A 249 GLN : amide:sc= -2.25! C(o=-2.2!,f=-3.6!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.921 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 52:sc=0.000448 USER MOD Single : B 210 SER OG : rot 26:sc= 0.112 USER MOD Single : B 217 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -8.678 6.406 -5.092 1.00 15.00 N ATOM 2 CA GLU A 235 -9.811 6.301 -4.148 1.00 15.00 C ATOM 3 C GLU A 235 -9.811 4.934 -3.473 1.00 15.00 C ATOM 4 O GLU A 235 -10.078 3.919 -4.116 1.00 15.00 O ATOM 5 CB GLU A 235 -11.150 6.516 -4.870 1.00 15.00 C ATOM 6 CG GLU A 235 -11.341 7.913 -5.454 1.00 15.00 C ATOM 7 CD GLU A 235 -10.446 8.186 -6.645 1.00 15.00 C ATOM 8 OE1 GLU A 235 -9.284 8.581 -6.438 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -10.897 7.999 -7.792 1.00 15.00 O ATOM 0 HA GLU A 235 -9.692 7.078 -3.393 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.235 5.786 -5.675 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -11.961 6.315 -4.170 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -12.382 8.036 -5.753 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -11.142 8.654 -4.680 1.00 15.00 H new ATOM 18 N LEU A 236 -9.484 4.906 -2.188 1.00 15.00 N ATOM 19 CA LEU A 236 -9.486 3.660 -1.426 1.00 15.00 C ATOM 20 C LEU A 236 -10.448 3.799 -0.256 1.00 15.00 C ATOM 21 O LEU A 236 -10.948 4.893 0.013 1.00 15.00 O ATOM 22 CB LEU A 236 -8.090 3.336 -0.858 1.00 15.00 C ATOM 23 CG LEU A 236 -6.889 3.836 -1.667 1.00 15.00 C ATOM 24 CD1 LEU A 236 -5.600 3.564 -0.915 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.845 3.188 -3.041 1.00 15.00 C ATOM 0 H LEU A 236 -9.214 5.730 -1.650 1.00 15.00 H new ATOM 0 HA LEU A 236 -9.786 2.857 -2.099 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.024 3.757 0.145 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.006 2.254 -0.756 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.998 4.912 -1.805 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -4.754 3.924 -1.501 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -5.623 4.080 0.045 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -5.496 2.492 -0.748 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.982 3.562 -3.592 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -6.764 2.107 -2.931 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -7.757 3.430 -3.587 1.00 15.00 H new ATOM 37 N PRO A 237 -10.731 2.701 0.453 1.00 15.00 N ATOM 38 CA PRO A 237 -11.363 2.779 1.767 1.00 15.00 C ATOM 39 C PRO A 237 -10.392 3.359 2.779 1.00 15.00 C ATOM 40 O PRO A 237 -9.181 3.395 2.558 1.00 15.00 O ATOM 41 CB PRO A 237 -11.702 1.323 2.111 1.00 15.00 C ATOM 42 CG PRO A 237 -11.526 0.551 0.841 1.00 15.00 C ATOM 43 CD PRO A 237 -10.531 1.312 0.012 1.00 15.00 C ATOM 0 HA PRO A 237 -12.244 3.421 1.776 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.045 0.943 2.893 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.723 1.237 2.482 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.168 -0.458 1.047 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.475 0.451 0.313 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.511 0.973 0.193 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.721 1.195 -1.055 1.00 15.00 H new ATOM 51 N GLU A 238 -10.931 3.803 3.883 1.00 15.00 N ATOM 52 CA GLU A 238 -10.136 4.477 4.898 1.00 15.00 C ATOM 53 C GLU A 238 -9.189 3.504 5.595 1.00 15.00 C ATOM 54 O GLU A 238 -9.502 2.322 5.775 1.00 15.00 O ATOM 55 CB GLU A 238 -11.036 5.174 5.930 1.00 15.00 C ATOM 56 CG GLU A 238 -12.050 4.265 6.606 1.00 15.00 C ATOM 57 CD GLU A 238 -13.251 3.970 5.732 1.00 15.00 C ATOM 58 OE1 GLU A 238 -14.193 4.786 5.714 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -13.248 2.925 5.047 1.00 15.00 O ATOM 0 H GLU A 238 -11.921 3.714 4.111 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.537 5.235 4.394 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.405 5.625 6.696 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.569 5.987 5.437 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.565 3.327 6.878 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.387 4.730 7.533 1.00 15.00 H new ATOM 66 N GLY A 239 -8.043 4.024 6.009 1.00 15.00 N ATOM 67 CA GLY A 239 -7.043 3.215 6.678 1.00 15.00 C ATOM 68 C GLY A 239 -5.909 2.784 5.763 1.00 15.00 C ATOM 69 O GLY A 239 -4.923 2.207 6.227 1.00 15.00 O ATOM 0 H GLY A 239 -7.785 5.004 5.892 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.631 3.778 7.516 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.522 2.329 7.094 1.00 15.00 H new ATOM 73 N TYR A 240 -6.031 3.052 4.470 1.00 15.00 N ATOM 74 CA TYR A 240 -4.958 2.721 3.535 1.00 15.00 C ATOM 75 C TYR A 240 -4.126 3.948 3.228 1.00 15.00 C ATOM 76 O TYR A 240 -4.604 4.907 2.621 1.00 15.00 O ATOM 77 CB TYR A 240 -5.504 2.131 2.224 1.00 15.00 C ATOM 78 CG TYR A 240 -6.284 0.862 2.437 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.634 -0.329 2.696 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.666 0.866 2.424 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.343 -1.489 2.938 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.385 -0.279 2.673 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.719 -1.459 2.934 1.00 15.00 C ATOM 84 OH TYR A 240 -8.428 -2.610 3.194 1.00 15.00 O ATOM 0 H TYR A 240 -6.848 3.491 4.047 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.335 1.966 4.015 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.143 2.868 1.738 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.674 1.932 1.546 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.554 -0.353 2.709 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.191 1.786 2.214 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.821 -2.415 3.129 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.465 -0.255 2.664 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.388 -2.419 3.154 1.00 15.00 H new ATOM 94 N GLU A 241 -2.886 3.919 3.665 1.00 15.00 N ATOM 95 CA GLU A 241 -1.955 4.968 3.341 1.00 15.00 C ATOM 96 C GLU A 241 -1.235 4.601 2.053 1.00 15.00 C ATOM 97 O GLU A 241 -0.592 3.553 1.955 1.00 15.00 O ATOM 98 CB GLU A 241 -0.973 5.198 4.496 1.00 15.00 C ATOM 99 CG GLU A 241 -0.276 3.936 4.983 1.00 15.00 C ATOM 100 CD GLU A 241 0.533 4.164 6.240 1.00 15.00 C ATOM 101 OE1 GLU A 241 -0.056 4.122 7.346 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.755 4.391 6.138 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.502 3.175 4.248 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.489 5.906 3.191 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.218 5.917 4.178 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.510 5.648 5.331 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.022 3.164 5.171 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.380 3.562 4.197 1.00 15.00 H new ATOM 109 N GLN A 242 -1.374 5.447 1.050 1.00 15.00 N ATOM 110 CA GLN A 242 -0.736 5.198 -0.224 1.00 15.00 C ATOM 111 C GLN A 242 0.638 5.831 -0.194 1.00 15.00 C ATOM 112 O GLN A 242 0.789 7.046 -0.334 1.00 15.00 O ATOM 113 CB GLN A 242 -1.593 5.745 -1.379 1.00 15.00 C ATOM 114 CG GLN A 242 -1.098 5.385 -2.777 1.00 15.00 C ATOM 115 CD GLN A 242 -0.153 6.416 -3.363 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.590 7.392 -3.970 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.143 6.196 -3.222 1.00 15.00 N ATOM 0 H GLN A 242 -1.920 6.307 1.094 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.634 4.126 -0.394 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.611 5.373 -1.264 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.639 6.831 -1.295 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.593 4.420 -2.739 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.955 5.270 -3.440 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.468 5.375 -2.712 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.818 6.847 -3.624 1.00 15.00 H new ATOM 126 N ARG A 243 1.630 5.000 0.064 1.00 15.00 N ATOM 127 CA ARG A 243 2.987 5.466 0.229 1.00 15.00 C ATOM 128 C ARG A 243 3.755 5.429 -1.071 1.00 15.00 C ATOM 129 O ARG A 243 3.517 4.588 -1.942 1.00 15.00 O ATOM 130 CB ARG A 243 3.718 4.669 1.301 1.00 15.00 C ATOM 131 CG ARG A 243 3.569 5.273 2.681 1.00 15.00 C ATOM 132 CD ARG A 243 4.372 4.507 3.717 1.00 15.00 C ATOM 133 NE ARG A 243 5.756 4.312 3.288 1.00 15.00 N ATOM 134 CZ ARG A 243 6.820 4.629 4.022 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.671 5.195 5.214 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.035 4.384 3.556 1.00 15.00 N ATOM 0 H ARG A 243 1.516 3.991 0.164 1.00 15.00 H new ATOM 0 HA ARG A 243 2.929 6.505 0.552 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.336 3.648 1.313 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.776 4.611 1.047 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.897 6.312 2.661 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.517 5.277 2.965 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.356 5.048 4.663 1.00 15.00 H new ATOM 0 HD3 ARG A 243 3.906 3.538 3.896 1.00 15.00 H new ATOM 0 HE ARG A 243 5.917 3.907 2.366 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.736 5.390 5.573 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.491 5.435 5.771 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.152 3.954 2.638 1.00 15.00 H new ATOM 0 HH22 ARG A 243 8.854 4.625 4.115 1.00 15.00 H new ATOM 150 N THR A 244 4.688 6.346 -1.159 1.00 15.00 N ATOM 151 CA THR A 244 5.495 6.541 -2.344 1.00 15.00 C ATOM 152 C THR A 244 6.960 6.280 -2.027 1.00 15.00 C ATOM 153 O THR A 244 7.409 6.483 -0.897 1.00 15.00 O ATOM 154 CB THR A 244 5.324 7.968 -2.903 1.00 15.00 C ATOM 155 OG1 THR A 244 5.296 8.916 -1.825 1.00 15.00 O ATOM 156 CG2 THR A 244 4.047 8.083 -3.719 1.00 15.00 C ATOM 0 H THR A 244 4.913 6.988 -0.399 1.00 15.00 H new ATOM 0 HA THR A 244 5.159 5.834 -3.103 1.00 15.00 H new ATOM 0 HB THR A 244 6.171 8.182 -3.555 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.189 9.820 -2.187 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.950 9.099 -4.102 1.00 15.00 H new ATOM 0 HG22 THR A 244 4.084 7.383 -4.554 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.190 7.850 -3.088 1.00 15.00 H new ATOM 164 N THR A 245 7.694 5.821 -3.018 1.00 15.00 N ATOM 165 CA THR A 245 9.081 5.451 -2.827 1.00 15.00 C ATOM 166 C THR A 245 9.869 5.666 -4.109 1.00 15.00 C ATOM 167 O THR A 245 9.312 5.575 -5.206 1.00 15.00 O ATOM 168 CB THR A 245 9.215 3.983 -2.364 1.00 15.00 C ATOM 169 OG1 THR A 245 10.596 3.624 -2.261 1.00 15.00 O ATOM 170 CG2 THR A 245 8.510 3.039 -3.325 1.00 15.00 C ATOM 0 H THR A 245 7.351 5.694 -3.970 1.00 15.00 H new ATOM 0 HA THR A 245 9.489 6.091 -2.045 1.00 15.00 H new ATOM 0 HB THR A 245 8.743 3.894 -1.386 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.688 2.840 -1.681 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.621 2.013 -2.974 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.451 3.293 -3.374 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.952 3.133 -4.317 1.00 15.00 H new ATOM 178 N VAL A 246 11.157 5.966 -3.958 1.00 15.00 N ATOM 179 CA VAL A 246 12.063 6.185 -5.088 1.00 15.00 C ATOM 180 C VAL A 246 12.055 4.989 -6.051 1.00 15.00 C ATOM 181 O VAL A 246 12.476 5.102 -7.203 1.00 15.00 O ATOM 182 CB VAL A 246 13.506 6.433 -4.588 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.418 6.876 -5.723 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.515 7.460 -3.467 1.00 15.00 C ATOM 0 H VAL A 246 11.605 6.065 -3.047 1.00 15.00 H new ATOM 0 HA VAL A 246 11.709 7.066 -5.624 1.00 15.00 H new ATOM 0 HB VAL A 246 13.889 5.489 -4.200 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.424 7.042 -5.338 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.446 6.102 -6.490 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.038 7.802 -6.155 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.539 7.621 -3.129 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.102 8.400 -3.832 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.911 7.096 -2.636 1.00 15.00 H new ATOM 194 N GLN A 247 11.556 3.849 -5.574 1.00 15.00 N ATOM 195 CA GLN A 247 11.425 2.653 -6.403 1.00 15.00 C ATOM 196 C GLN A 247 10.447 2.903 -7.554 1.00 15.00 C ATOM 197 O GLN A 247 10.432 2.173 -8.541 1.00 15.00 O ATOM 198 CB GLN A 247 10.943 1.467 -5.556 1.00 15.00 C ATOM 199 CG GLN A 247 11.651 1.330 -4.213 1.00 15.00 C ATOM 200 CD GLN A 247 13.162 1.154 -4.328 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.796 1.607 -5.282 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.753 0.506 -3.340 1.00 15.00 N ATOM 0 H GLN A 247 11.235 3.729 -4.613 1.00 15.00 H new ATOM 0 HA GLN A 247 12.404 2.416 -6.820 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.872 1.572 -5.381 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.085 0.548 -6.124 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.443 2.215 -3.611 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.235 0.476 -3.679 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.199 0.143 -2.564 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.764 0.368 -3.353 1.00 15.00 H new ATOM 211 N GLY A 248 9.615 3.929 -7.400 1.00 15.00 N ATOM 212 CA GLY A 248 8.688 4.313 -8.450 1.00 15.00 C ATOM 213 C GLY A 248 7.390 3.537 -8.382 1.00 15.00 C ATOM 214 O GLY A 248 6.589 3.560 -9.316 1.00 15.00 O ATOM 0 H GLY A 248 9.567 4.505 -6.560 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.476 5.379 -8.372 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.155 4.151 -9.421 1.00 15.00 H new ATOM 218 N GLN A 249 7.174 2.865 -7.266 1.00 15.00 N ATOM 219 CA GLN A 249 6.025 1.989 -7.112 1.00 15.00 C ATOM 220 C GLN A 249 5.061 2.513 -6.055 1.00 15.00 C ATOM 221 O GLN A 249 5.474 2.918 -4.965 1.00 15.00 O ATOM 222 CB GLN A 249 6.497 0.581 -6.738 1.00 15.00 C ATOM 223 CG GLN A 249 7.439 0.550 -5.551 1.00 15.00 C ATOM 224 CD GLN A 249 8.200 -0.751 -5.434 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.467 -1.420 -6.428 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.578 -1.105 -4.218 1.00 15.00 N ATOM 0 H GLN A 249 7.782 2.909 -6.448 1.00 15.00 H new ATOM 0 HA GLN A 249 5.492 1.958 -8.062 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.627 -0.037 -6.517 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.995 0.134 -7.598 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.149 1.373 -5.636 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.868 0.714 -4.637 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.335 -0.520 -3.418 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.112 -1.963 -4.079 1.00 15.00 H new ATOM 235 N VAL A 250 3.776 2.486 -6.378 1.00 15.00 N ATOM 236 CA VAL A 250 2.746 2.782 -5.402 1.00 15.00 C ATOM 237 C VAL A 250 2.338 1.491 -4.715 1.00 15.00 C ATOM 238 O VAL A 250 1.915 0.531 -5.363 1.00 15.00 O ATOM 239 CB VAL A 250 1.500 3.456 -6.026 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.795 4.904 -6.371 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.021 2.709 -7.262 1.00 15.00 C ATOM 0 H VAL A 250 3.425 2.262 -7.309 1.00 15.00 H new ATOM 0 HA VAL A 250 3.162 3.492 -4.687 1.00 15.00 H new ATOM 0 HB VAL A 250 0.702 3.424 -5.284 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.908 5.362 -6.809 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.073 5.444 -5.466 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.616 4.948 -7.087 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.145 3.210 -7.673 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.815 2.694 -8.009 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.760 1.686 -6.990 1.00 15.00 H new ATOM 251 N TYR A 251 2.509 1.456 -3.409 1.00 15.00 N ATOM 252 CA TYR A 251 2.262 0.249 -2.655 1.00 15.00 C ATOM 253 C TYR A 251 1.277 0.537 -1.522 1.00 15.00 C ATOM 254 O TYR A 251 1.407 1.538 -0.810 1.00 15.00 O ATOM 255 CB TYR A 251 3.626 -0.336 -2.205 1.00 15.00 C ATOM 256 CG TYR A 251 4.472 0.502 -1.245 1.00 15.00 C ATOM 257 CD1 TYR A 251 4.058 0.771 0.055 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.725 0.985 -1.640 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.854 1.495 0.924 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.523 1.696 -0.774 1.00 15.00 C ATOM 261 CZ TYR A 251 6.087 1.951 0.507 1.00 15.00 C ATOM 262 OH TYR A 251 6.891 2.649 1.382 1.00 15.00 O ATOM 0 H TYR A 251 2.818 2.251 -2.850 1.00 15.00 H new ATOM 0 HA TYR A 251 1.780 -0.519 -3.260 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.439 -1.301 -1.734 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.221 -0.527 -3.098 1.00 15.00 H new ATOM 0 HD1 TYR A 251 3.098 0.408 0.392 1.00 15.00 H new ATOM 0 HD2 TYR A 251 6.072 0.796 -2.645 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.511 1.703 1.927 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.489 2.053 -1.098 1.00 15.00 H new ATOM 0 HH TYR A 251 7.725 2.898 0.932 1.00 15.00 H new ATOM 272 N PHE A 252 0.273 -0.324 -1.379 1.00 15.00 N ATOM 273 CA PHE A 252 -0.835 -0.051 -0.471 1.00 15.00 C ATOM 274 C PHE A 252 -0.561 -0.578 0.913 1.00 15.00 C ATOM 275 O PHE A 252 -0.345 -1.775 1.111 1.00 15.00 O ATOM 276 CB PHE A 252 -2.145 -0.628 -1.010 1.00 15.00 C ATOM 277 CG PHE A 252 -2.684 0.177 -2.159 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.852 1.547 -2.024 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.980 -0.412 -3.382 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.298 2.313 -3.083 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.437 0.351 -4.440 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.592 1.716 -4.290 1.00 15.00 C ATOM 0 H PHE A 252 0.204 -1.211 -1.877 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.936 1.032 -0.405 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -1.983 -1.656 -1.332 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.884 -0.658 -0.210 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.631 2.021 -1.079 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.852 -1.477 -3.507 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.416 3.380 -2.965 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.673 -0.119 -5.383 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.943 2.314 -5.118 1.00 15.00 H new ATOM 292 N LEU A 253 -0.585 0.332 1.867 1.00 15.00 N ATOM 293 CA LEU A 253 -0.261 0.011 3.233 1.00 15.00 C ATOM 294 C LEU A 253 -1.443 0.300 4.146 1.00 15.00 C ATOM 295 O LEU A 253 -1.941 1.420 4.215 1.00 15.00 O ATOM 296 CB LEU A 253 0.949 0.831 3.669 1.00 15.00 C ATOM 297 CG LEU A 253 1.973 0.107 4.545 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.086 1.059 4.915 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.332 -0.469 5.798 1.00 15.00 C ATOM 0 H LEU A 253 -0.829 1.310 1.712 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.028 -1.051 3.303 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.457 1.194 2.776 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.592 1.707 4.211 1.00 15.00 H new ATOM 0 HG LEU A 253 2.381 -0.727 3.974 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.815 0.542 5.539 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.574 1.418 4.009 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.673 1.905 5.464 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.091 -0.976 6.395 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.888 0.337 6.383 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.557 -1.182 5.516 1.00 15.00 H new ATOM 311 N HIS A 254 -1.895 -0.727 4.825 1.00 15.00 N ATOM 312 CA HIS A 254 -2.877 -0.580 5.880 1.00 15.00 C ATOM 313 C HIS A 254 -2.409 -1.353 7.074 1.00 15.00 C ATOM 314 O HIS A 254 -2.607 -2.571 7.140 1.00 15.00 O ATOM 315 CB HIS A 254 -4.253 -1.102 5.458 1.00 15.00 C ATOM 316 CG HIS A 254 -5.240 -1.244 6.585 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.939 -2.407 6.826 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.611 -0.378 7.559 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.685 -2.257 7.902 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.506 -1.033 8.363 1.00 15.00 N ATOM 0 H HIS A 254 -1.595 -1.688 4.664 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.978 0.481 6.108 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.670 -0.427 4.710 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.128 -2.072 4.977 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.266 0.638 7.679 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -7.332 -3.007 8.333 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -6.961 -0.638 9.186 1.00 15.00 H new ATOM 329 N THR A 255 -1.771 -0.704 8.019 1.00 15.00 N ATOM 330 CA THR A 255 -1.329 -1.477 9.140 1.00 15.00 C ATOM 331 C THR A 255 -2.378 -1.452 10.241 1.00 15.00 C ATOM 332 O THR A 255 -2.413 -0.590 11.119 1.00 15.00 O ATOM 333 CB THR A 255 0.052 -0.992 9.660 1.00 15.00 C ATOM 334 OG1 THR A 255 0.421 -1.717 10.837 1.00 15.00 O ATOM 335 CG2 THR A 255 0.059 0.504 9.953 1.00 15.00 C ATOM 0 H THR A 255 -1.559 0.294 8.035 1.00 15.00 H new ATOM 0 HA THR A 255 -1.199 -2.509 8.813 1.00 15.00 H new ATOM 0 HB THR A 255 0.779 -1.181 8.870 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.294 -1.403 11.154 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.044 0.799 10.314 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.173 1.054 9.041 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.689 0.729 10.713 1.00 15.00 H new ATOM 343 N GLN A 256 -3.275 -2.406 10.107 1.00 15.00 N ATOM 344 CA GLN A 256 -4.020 -2.998 11.187 1.00 15.00 C ATOM 345 C GLN A 256 -3.357 -4.320 11.483 1.00 15.00 C ATOM 346 O GLN A 256 -2.915 -4.620 12.585 1.00 15.00 O ATOM 347 CB GLN A 256 -5.478 -3.195 10.754 1.00 15.00 C ATOM 348 CG GLN A 256 -6.241 -4.247 11.538 1.00 15.00 C ATOM 349 CD GLN A 256 -7.656 -4.420 11.027 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.917 -4.265 9.835 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.581 -4.719 11.921 1.00 15.00 N ATOM 0 H GLN A 256 -3.512 -2.805 9.199 1.00 15.00 H new ATOM 0 HA GLN A 256 -4.027 -2.367 12.076 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -6.001 -2.243 10.847 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.495 -3.466 9.698 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.714 -5.199 11.475 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.268 -3.966 12.591 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.323 -4.839 12.901 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.553 -4.830 11.632 1.00 15.00 H new ATOM 360 N THR A 257 -3.323 -5.094 10.407 1.00 15.00 N ATOM 361 CA THR A 257 -2.790 -6.438 10.378 1.00 15.00 C ATOM 362 C THR A 257 -1.414 -6.482 9.814 1.00 15.00 C ATOM 363 O THR A 257 -0.637 -7.432 9.919 1.00 15.00 O ATOM 364 CB THR A 257 -3.766 -7.375 9.651 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.219 -8.686 9.486 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.167 -6.796 8.304 1.00 15.00 C ATOM 0 H THR A 257 -3.680 -4.787 9.502 1.00 15.00 H new ATOM 0 HA THR A 257 -2.693 -6.795 11.403 1.00 15.00 H new ATOM 0 HB THR A 257 -4.656 -7.463 10.274 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.868 -9.255 9.021 1.00 15.00 H new ATOM 0 HG21 THR A 257 -4.858 -7.476 7.807 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.651 -5.831 8.452 1.00 15.00 H new ATOM 0 HG23 THR A 257 -3.279 -6.665 7.685 1.00 15.00 H new ATOM 374 N GLY A 258 -1.188 -5.396 9.264 1.00 15.00 N ATOM 375 CA GLY A 258 -0.047 -5.146 8.413 1.00 15.00 C ATOM 376 C GLY A 258 -0.307 -5.516 6.963 1.00 15.00 C ATOM 377 O GLY A 258 0.209 -6.520 6.467 1.00 15.00 O ATOM 0 H GLY A 258 -1.798 -4.585 9.371 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.222 -4.091 8.472 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.808 -5.714 8.781 1.00 15.00 H new ATOM 381 N VAL A 259 -1.133 -4.722 6.288 1.00 15.00 N ATOM 382 CA VAL A 259 -1.295 -4.864 4.834 1.00 15.00 C ATOM 383 C VAL A 259 -0.301 -4.017 4.062 1.00 15.00 C ATOM 384 O VAL A 259 -0.218 -2.805 4.233 1.00 15.00 O ATOM 385 CB VAL A 259 -2.719 -4.501 4.329 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.764 -4.464 2.806 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.707 -5.520 4.833 1.00 15.00 C ATOM 0 H VAL A 259 -1.695 -3.983 6.711 1.00 15.00 H new ATOM 0 HA VAL A 259 -1.115 -5.923 4.649 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.977 -3.512 4.708 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.771 -4.208 2.478 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -2.062 -3.716 2.439 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.491 -5.442 2.410 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.706 -5.265 4.478 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.432 -6.508 4.463 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.699 -5.526 5.923 1.00 15.00 H new ATOM 397 N SER A 260 0.441 -4.703 3.217 1.00 15.00 N ATOM 398 CA SER A 260 1.321 -4.084 2.233 1.00 15.00 C ATOM 399 C SER A 260 1.239 -4.885 0.943 1.00 15.00 C ATOM 400 O SER A 260 1.825 -5.961 0.828 1.00 15.00 O ATOM 401 CB SER A 260 2.774 -4.010 2.724 1.00 15.00 C ATOM 402 OG SER A 260 3.127 -5.163 3.476 1.00 15.00 O ATOM 0 H SER A 260 0.453 -5.723 3.190 1.00 15.00 H new ATOM 0 HA SER A 260 0.993 -3.058 2.067 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.444 -3.912 1.870 1.00 15.00 H new ATOM 0 HB3 SER A 260 2.907 -3.119 3.337 1.00 15.00 H new ATOM 0 HG SER A 260 2.902 -5.968 2.965 1.00 15.00 H new ATOM 408 N THR A 261 0.472 -4.387 -0.010 1.00 15.00 N ATOM 409 CA THR A 261 0.125 -5.184 -1.171 1.00 15.00 C ATOM 410 C THR A 261 0.104 -4.361 -2.455 1.00 15.00 C ATOM 411 O THR A 261 -0.134 -3.149 -2.434 1.00 15.00 O ATOM 412 CB THR A 261 -1.239 -5.876 -0.973 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.536 -6.701 -2.101 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.353 -4.859 -0.777 1.00 15.00 C ATOM 0 H THR A 261 0.081 -3.445 -0.004 1.00 15.00 H new ATOM 0 HA THR A 261 0.903 -5.940 -1.274 1.00 15.00 H new ATOM 0 HB THR A 261 -1.175 -6.490 -0.075 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.481 -7.644 -1.840 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.301 -5.379 -0.640 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.141 -4.253 0.104 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.416 -4.215 -1.654 1.00 15.00 H new ATOM 422 N TRP A 262 0.404 -5.030 -3.566 1.00 15.00 N ATOM 423 CA TRP A 262 0.361 -4.407 -4.880 1.00 15.00 C ATOM 424 C TRP A 262 -1.071 -4.132 -5.322 1.00 15.00 C ATOM 425 O TRP A 262 -1.323 -3.188 -6.072 1.00 15.00 O ATOM 426 CB TRP A 262 1.023 -5.298 -5.928 1.00 15.00 C ATOM 427 CG TRP A 262 2.516 -5.345 -5.860 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.302 -6.449 -5.749 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.408 -4.254 -5.798 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.600 -6.136 -5.790 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.702 -4.809 -5.782 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.270 -2.869 -5.787 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.817 -4.062 -5.753 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.417 -2.122 -5.703 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.661 -2.747 -5.690 1.00 15.00 C ATOM 0 H TRP A 262 0.681 -6.012 -3.578 1.00 15.00 H new ATOM 0 HA TRP A 262 0.902 -3.464 -4.797 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.637 -6.311 -5.819 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.729 -4.950 -6.918 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.924 -7.455 -5.641 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.376 -6.797 -5.822 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.298 -2.401 -5.842 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.798 -4.513 -5.780 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.355 -1.045 -5.647 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.544 -2.129 -5.625 1.00 15.00 H new ATOM 446 N HIS A 263 -2.004 -4.975 -4.899 1.00 15.00 N ATOM 447 CA HIS A 263 -3.379 -4.835 -5.352 1.00 15.00 C ATOM 448 C HIS A 263 -4.111 -3.811 -4.497 1.00 15.00 C ATOM 449 O HIS A 263 -4.052 -3.854 -3.268 1.00 15.00 O ATOM 450 CB HIS A 263 -4.126 -6.189 -5.356 1.00 15.00 C ATOM 451 CG HIS A 263 -4.785 -6.576 -4.055 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.133 -6.392 -3.805 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.279 -7.149 -2.938 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.418 -6.831 -2.592 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.311 -7.295 -2.047 1.00 15.00 N ATOM 0 H HIS A 263 -1.838 -5.748 -4.255 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.357 -4.481 -6.383 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.889 -6.160 -6.134 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.420 -6.972 -5.631 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.803 -5.981 -4.456 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.251 -7.438 -2.778 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.392 -6.813 -2.126 1.00 15.00 H new ATOM 464 N ASP A 264 -4.781 -2.883 -5.163 1.00 15.00 N ATOM 465 CA ASP A 264 -5.646 -1.928 -4.490 1.00 15.00 C ATOM 466 C ASP A 264 -6.652 -2.681 -3.627 1.00 15.00 C ATOM 467 O ASP A 264 -7.314 -3.595 -4.090 1.00 15.00 O ATOM 468 CB ASP A 264 -6.345 -1.053 -5.541 1.00 15.00 C ATOM 469 CG ASP A 264 -7.424 -0.144 -4.985 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.416 0.151 -3.775 1.00 15.00 O ATOM 471 OD2 ASP A 264 -8.278 0.299 -5.780 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.741 -2.771 -6.176 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.063 -1.277 -3.839 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.595 -0.441 -6.043 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.787 -1.700 -6.298 1.00 15.00 H new ATOM 476 N PRO A 265 -6.751 -2.349 -2.347 1.00 15.00 N ATOM 477 CA PRO A 265 -7.672 -3.019 -1.440 1.00 15.00 C ATOM 478 C PRO A 265 -9.119 -2.680 -1.729 1.00 15.00 C ATOM 479 O PRO A 265 -10.038 -3.321 -1.213 1.00 15.00 O ATOM 480 CB PRO A 265 -7.259 -2.533 -0.056 1.00 15.00 C ATOM 481 CG PRO A 265 -5.962 -1.816 -0.250 1.00 15.00 C ATOM 482 CD PRO A 265 -5.962 -1.325 -1.662 1.00 15.00 C ATOM 0 HA PRO A 265 -7.616 -4.103 -1.542 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.013 -1.870 0.367 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.145 -3.369 0.635 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.868 -0.986 0.450 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.118 -2.482 -0.070 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.414 -0.337 -1.749 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.953 -1.251 -2.067 1.00 15.00 H new ATOM 490 N ARG A 266 -9.311 -1.637 -2.509 1.00 15.00 N ATOM 491 CA ARG A 266 -10.619 -1.304 -3.025 1.00 15.00 C ATOM 492 C ARG A 266 -10.995 -2.315 -4.094 1.00 15.00 C ATOM 493 O ARG A 266 -12.151 -2.437 -4.501 1.00 15.00 O ATOM 494 CB ARG A 266 -10.566 0.094 -3.604 1.00 15.00 C ATOM 495 CG ARG A 266 -11.918 0.672 -3.988 1.00 15.00 C ATOM 496 CD ARG A 266 -12.836 0.849 -2.792 1.00 15.00 C ATOM 497 NE ARG A 266 -14.173 1.267 -3.211 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.181 1.518 -2.380 1.00 15.00 C ATOM 499 NH1 ARG A 266 -15.008 1.437 -1.070 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.367 1.852 -2.866 1.00 15.00 N ATOM 0 H ARG A 266 -8.569 -1.001 -2.801 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.369 -1.333 -2.235 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.096 0.756 -2.877 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -9.926 0.083 -4.486 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.772 1.636 -4.476 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.397 0.016 -4.715 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.901 -0.088 -2.238 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.415 1.591 -2.114 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.345 1.374 -4.211 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.096 1.181 -0.691 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.786 1.631 -0.440 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.505 1.916 -3.875 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -17.142 2.045 -2.232 1.00 15.00 H new ATOM 514 N ILE A 267 -9.982 -3.041 -4.536 1.00 15.00 N ATOM 515 CA ILE A 267 -10.165 -4.106 -5.520 1.00 15.00 C ATOM 516 C ILE A 267 -9.647 -5.445 -4.981 1.00 15.00 C ATOM 517 O ILE A 267 -10.378 -6.070 -4.183 1.00 15.00 O ATOM 518 CB ILE A 267 -9.526 -3.786 -6.907 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.032 -3.433 -6.808 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.288 -2.657 -7.586 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.363 -3.245 -8.152 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.532 -5.877 -5.348 1.00 15.00 O ATOM 0 H ILE A 267 -9.017 -2.915 -4.230 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.239 -4.181 -5.687 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.598 -4.693 -7.507 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.921 -2.518 -6.225 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.516 -4.223 -6.262 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.834 -2.442 -8.553 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.326 -2.955 -7.731 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.250 -1.765 -6.961 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.312 -2.998 -8.004 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.442 -4.166 -8.730 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.853 -2.435 -8.692 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 10.271 3.673 13.143 1.00 15.00 N ATOM 536 CA SER B 210 9.251 2.778 12.570 1.00 15.00 C ATOM 537 C SER B 210 9.082 3.066 11.086 1.00 15.00 C ATOM 538 O SER B 210 8.614 4.138 10.699 1.00 15.00 O ATOM 539 CB SER B 210 7.920 2.964 13.296 1.00 15.00 C ATOM 540 OG SER B 210 8.076 2.788 14.696 1.00 15.00 O ATOM 0 HA SER B 210 9.577 1.745 12.695 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.527 3.960 13.093 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.191 2.249 12.915 1.00 15.00 H new ATOM 0 HG SER B 210 8.999 2.998 14.951 1.00 15.00 H new ATOM 548 N ASP B 211 9.485 2.115 10.264 1.00 15.00 N ATOM 549 CA ASP B 211 9.429 2.275 8.822 1.00 15.00 C ATOM 550 C ASP B 211 8.948 0.984 8.179 1.00 15.00 C ATOM 551 O ASP B 211 9.406 -0.106 8.527 1.00 15.00 O ATOM 552 CB ASP B 211 10.803 2.684 8.268 1.00 15.00 C ATOM 553 CG ASP B 211 11.895 1.676 8.569 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.458 1.718 9.684 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 12.200 0.841 7.693 1.00 15.00 O ATOM 0 H ASP B 211 9.857 1.217 10.573 1.00 15.00 H new ATOM 0 HA ASP B 211 8.723 3.070 8.582 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.727 2.816 7.189 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.084 3.650 8.688 1.00 15.00 H new ATOM 560 N PRO B 212 8.017 1.097 7.228 1.00 15.00 N ATOM 561 CA PRO B 212 7.409 -0.046 6.562 1.00 15.00 C ATOM 562 C PRO B 212 8.181 -0.466 5.320 1.00 15.00 C ATOM 563 O PRO B 212 8.848 0.350 4.679 1.00 15.00 O ATOM 564 CB PRO B 212 6.028 0.484 6.153 1.00 15.00 C ATOM 565 CG PRO B 212 6.022 1.955 6.461 1.00 15.00 C ATOM 566 CD PRO B 212 7.444 2.348 6.741 1.00 15.00 C ATOM 0 HA PRO B 212 7.383 -0.925 7.206 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.845 0.310 5.093 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.238 -0.030 6.701 1.00 15.00 H new ATOM 0 HG2 PRO B 212 5.622 2.524 5.621 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.386 2.167 7.321 1.00 15.00 H new ATOM 0 HD2 PRO B 212 7.951 2.707 5.846 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.508 3.142 7.484 1.00 15.00 H new ATOM 574 N GLY B 213 8.043 -1.734 4.961 1.00 15.00 N ATOM 575 CA GLY B 213 8.766 -2.268 3.834 1.00 15.00 C ATOM 576 C GLY B 213 8.006 -2.122 2.534 1.00 15.00 C ATOM 577 O GLY B 213 6.786 -1.960 2.520 1.00 15.00 O ATOM 0 H GLY B 213 7.438 -2.404 5.436 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.726 -1.759 3.749 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.979 -3.322 4.010 1.00 15.00 H new HETATM 581 N SEP B 214 8.746 -2.169 1.448 1.00 15.00 N HETATM 582 CA SEP B 214 8.203 -2.012 0.115 1.00 15.00 C HETATM 583 CB SEP B 214 9.191 -1.235 -0.761 1.00 15.00 C HETATM 584 OG SEP B 214 10.240 -0.693 0.024 1.00 15.00 O HETATM 585 C SEP B 214 7.884 -3.371 -0.508 1.00 15.00 C HETATM 586 O SEP B 214 8.390 -4.407 -0.073 1.00 15.00 O HETATM 587 P SEP B 214 11.805 -1.075 -0.171 1.00 15.00 P HETATM 588 O1P SEP B 214 12.302 -0.400 -1.368 1.00 15.00 O HETATM 589 O2P SEP B 214 12.545 -0.618 1.006 1.00 15.00 O HETATM 590 O3P SEP B 214 11.930 -2.527 -0.302 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.605 -1.895 -1.524 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.669 -0.433 -1.283 1.00 15.00 H new HETATM 0 HA SEP B 214 7.272 -1.449 0.182 1.00 15.00 H new HETATM 0 H SEP B 214 9.662 -1.783 1.674 1.00 15.00 H new ATOM 595 N PRO B 215 7.034 -3.370 -1.539 1.00 15.00 N ATOM 596 CA PRO B 215 6.690 -4.576 -2.294 1.00 15.00 C ATOM 597 C PRO B 215 7.673 -4.826 -3.431 1.00 15.00 C ATOM 598 O PRO B 215 8.230 -3.884 -3.997 1.00 15.00 O ATOM 599 CB PRO B 215 5.370 -4.188 -2.969 1.00 15.00 C ATOM 600 CG PRO B 215 4.901 -3.010 -2.232 1.00 15.00 C ATOM 601 CD PRO B 215 6.151 -2.274 -1.874 1.00 15.00 C ATOM 0 HA PRO B 215 6.672 -5.454 -1.649 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.518 -3.960 -4.025 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.646 -5.001 -2.917 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.240 -2.396 -2.843 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.339 -3.295 -1.343 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.530 -1.678 -2.704 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.003 -1.594 -1.035 1.00 15.00 H new ATOM 609 N PHE B 216 7.898 -6.088 -3.758 1.00 15.00 N ATOM 610 CA PHE B 216 8.795 -6.440 -4.847 1.00 15.00 C ATOM 611 C PHE B 216 8.015 -7.091 -5.974 1.00 15.00 C ATOM 612 O PHE B 216 7.857 -6.519 -7.051 1.00 15.00 O ATOM 613 CB PHE B 216 9.889 -7.387 -4.357 1.00 15.00 C ATOM 614 CG PHE B 216 10.780 -6.792 -3.302 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.928 -6.102 -3.657 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.471 -6.927 -1.958 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.748 -5.555 -2.691 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.290 -6.381 -0.988 1.00 15.00 C ATOM 619 CZ PHE B 216 12.430 -5.696 -1.354 1.00 15.00 C ATOM 0 H PHE B 216 7.472 -6.885 -3.285 1.00 15.00 H new ATOM 0 HA PHE B 216 9.264 -5.528 -5.217 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.424 -8.289 -3.960 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.501 -7.691 -5.207 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.184 -5.991 -4.700 1.00 15.00 H new ATOM 0 HD2 PHE B 216 9.581 -7.464 -1.666 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.638 -5.017 -2.980 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.038 -6.491 0.056 1.00 15.00 H new ATOM 0 HZ PHE B 216 13.072 -5.271 -0.597 1.00 15.00 H new ATOM 629 N GLN B 217 7.496 -8.277 -5.705 1.00 15.00 N ATOM 630 CA GLN B 217 6.736 -9.020 -6.693 1.00 15.00 C ATOM 631 C GLN B 217 5.699 -9.897 -6.006 1.00 15.00 C ATOM 632 O GLN B 217 6.078 -10.667 -5.098 1.00 15.00 O ATOM 633 CB GLN B 217 7.670 -9.855 -7.581 1.00 15.00 C ATOM 634 CG GLN B 217 8.530 -10.860 -6.827 1.00 15.00 C ATOM 635 CD GLN B 217 9.526 -11.565 -7.729 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.289 -11.730 -8.926 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.639 -12.003 -7.159 1.00 15.00 N ATOM 638 OXT GLN B 217 4.511 -9.806 -6.369 1.00 15.00 O ATOM 0 H GLN B 217 7.589 -8.747 -4.805 1.00 15.00 H new ATOM 0 HA GLN B 217 6.212 -8.313 -7.337 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.069 -10.390 -8.316 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.323 -9.180 -8.134 1.00 15.00 H new ATOM 0 HG2 GLN B 217 9.067 -10.347 -6.029 1.00 15.00 H new ATOM 0 HG3 GLN B 217 7.886 -11.601 -6.353 1.00 15.00 H new ATOM 0 HE21 GLN B 217 10.798 -11.846 -6.164 1.00 15.00 H new ATOM 0 HE22 GLN B 217 11.337 -12.497 -7.715 1.00 15.00 H new TER 647 GLN B 217