USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 269 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 242 GLN : amide:sc= -0.0286 K(o=-0.57,f=-1.7) USER MOD Set 1.2: A 244 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.098 USER MOD Single : A 247 GLN : amide:sc= 0 X(o=0,f=0.001) USER MOD Single : A 249 GLN : amide:sc= -1.77 K(o=-1.8,f=-1.1) USER MOD Single : A 251 TYR OH : rot 30:sc= 0 USER MOD Single : A 254 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-3.7!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 44:sc= 0.0223 USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 HIS : no HE2:sc= -0.249 K(o=-0.25,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.822 4.214 1.473 1.00 15.00 N ATOM 17 CA LEU A 236 10.450 2.908 1.994 1.00 15.00 C ATOM 18 C LEU A 236 11.503 1.891 1.575 1.00 15.00 C ATOM 19 O LEU A 236 12.479 2.254 0.919 1.00 15.00 O ATOM 20 CB LEU A 236 9.077 2.488 1.442 1.00 15.00 C ATOM 21 CG LEU A 236 8.017 3.588 1.397 1.00 15.00 C ATOM 22 CD1 LEU A 236 6.717 3.047 0.831 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.793 4.177 2.781 1.00 15.00 C ATOM 0 HA LEU A 236 10.390 2.955 3.081 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.215 2.100 0.433 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.697 1.667 2.050 1.00 15.00 H new ATOM 0 HG LEU A 236 8.375 4.383 0.743 1.00 15.00 H new ATOM 0 HD11 LEU A 236 5.972 3.843 0.806 1.00 15.00 H new ATOM 0 HD12 LEU A 236 6.887 2.676 -0.180 1.00 15.00 H new ATOM 0 HD13 LEU A 236 6.357 2.233 1.460 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.035 4.958 2.726 1.00 15.00 H new ATOM 0 HD22 LEU A 236 7.458 3.393 3.460 1.00 15.00 H new ATOM 0 HD23 LEU A 236 8.726 4.603 3.151 1.00 15.00 H new ATOM 35 N PRO A 237 11.344 0.612 1.954 1.00 15.00 N ATOM 36 CA PRO A 237 12.143 -0.460 1.372 1.00 15.00 C ATOM 37 C PRO A 237 11.749 -0.685 -0.073 1.00 15.00 C ATOM 38 O PRO A 237 10.658 -0.304 -0.508 1.00 15.00 O ATOM 39 CB PRO A 237 11.809 -1.693 2.221 1.00 15.00 C ATOM 40 CG PRO A 237 11.070 -1.186 3.415 1.00 15.00 C ATOM 41 CD PRO A 237 10.442 0.118 3.009 1.00 15.00 C ATOM 0 HA PRO A 237 13.209 -0.234 1.373 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.201 -2.401 1.658 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.716 -2.219 2.519 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.310 -1.900 3.732 1.00 15.00 H new ATOM 0 HG3 PRO A 237 11.746 -1.045 4.258 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.427 -0.022 2.638 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.382 0.814 3.846 1.00 15.00 H new ATOM 49 N GLU A 238 12.623 -1.344 -0.791 1.00 15.00 N ATOM 50 CA GLU A 238 12.478 -1.491 -2.232 1.00 15.00 C ATOM 51 C GLU A 238 11.306 -2.406 -2.580 1.00 15.00 C ATOM 52 O GLU A 238 11.232 -3.548 -2.120 1.00 15.00 O ATOM 53 CB GLU A 238 13.771 -2.057 -2.827 1.00 15.00 C ATOM 54 CG GLU A 238 13.739 -2.216 -4.339 1.00 15.00 C ATOM 55 CD GLU A 238 13.759 -0.888 -5.064 1.00 15.00 C ATOM 56 OE1 GLU A 238 12.739 -0.172 -5.040 1.00 15.00 O ATOM 57 OE2 GLU A 238 14.798 -0.556 -5.672 1.00 15.00 O1- ATOM 0 H GLU A 238 13.453 -1.794 -0.404 1.00 15.00 H new ATOM 0 HA GLU A 238 12.278 -0.507 -2.656 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.600 -1.402 -2.558 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.973 -3.028 -2.374 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.595 -2.812 -4.656 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.843 -2.768 -4.624 1.00 15.00 H new ATOM 64 N GLY A 239 10.386 -1.890 -3.388 1.00 15.00 N ATOM 65 CA GLY A 239 9.284 -2.694 -3.869 1.00 15.00 C ATOM 66 C GLY A 239 7.921 -2.106 -3.551 1.00 15.00 C ATOM 67 O GLY A 239 6.914 -2.552 -4.101 1.00 15.00 O ATOM 0 H GLY A 239 10.387 -0.925 -3.718 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.376 -2.814 -4.948 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.353 -3.690 -3.431 1.00 15.00 H new ATOM 71 N TYR A 240 7.873 -1.126 -2.659 1.00 15.00 N ATOM 72 CA TYR A 240 6.601 -0.516 -2.279 1.00 15.00 C ATOM 73 C TYR A 240 6.329 0.725 -3.109 1.00 15.00 C ATOM 74 O TYR A 240 7.191 1.594 -3.238 1.00 15.00 O ATOM 75 CB TYR A 240 6.595 -0.100 -0.800 1.00 15.00 C ATOM 76 CG TYR A 240 6.829 -1.221 0.178 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.067 -1.395 0.768 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.810 -2.095 0.524 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.290 -2.411 1.669 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.024 -3.119 1.426 1.00 15.00 C ATOM 81 CZ TYR A 240 7.267 -3.274 1.993 1.00 15.00 C ATOM 82 OH TYR A 240 7.489 -4.291 2.888 1.00 15.00 O ATOM 0 H TYR A 240 8.690 -0.738 -2.188 1.00 15.00 H new ATOM 0 HA TYR A 240 5.831 -1.268 -2.453 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.362 0.660 -0.649 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.636 0.366 -0.573 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.873 -0.722 0.517 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.833 -1.973 0.081 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.264 -2.531 2.120 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.221 -3.793 1.684 1.00 15.00 H new ATOM 0 HH TYR A 240 6.665 -4.808 3.007 1.00 15.00 H new ATOM 92 N GLU A 241 5.129 0.821 -3.646 1.00 15.00 N ATOM 93 CA GLU A 241 4.686 2.046 -4.278 1.00 15.00 C ATOM 94 C GLU A 241 3.678 2.739 -3.368 1.00 15.00 C ATOM 95 O GLU A 241 2.836 2.085 -2.744 1.00 15.00 O ATOM 96 CB GLU A 241 4.075 1.769 -5.656 1.00 15.00 C ATOM 97 CG GLU A 241 2.867 0.845 -5.640 1.00 15.00 C ATOM 98 CD GLU A 241 2.236 0.711 -7.009 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.288 1.465 -7.313 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.703 -0.122 -7.812 1.00 15.00 O1- ATOM 0 H GLU A 241 4.444 0.065 -3.657 1.00 15.00 H new ATOM 0 HA GLU A 241 5.546 2.699 -4.431 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.784 2.718 -6.107 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.841 1.333 -6.297 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.169 -0.139 -5.282 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.128 1.227 -4.936 1.00 15.00 H new ATOM 107 N GLN A 242 3.758 4.055 -3.291 1.00 15.00 N ATOM 108 CA GLN A 242 2.838 4.809 -2.462 1.00 15.00 C ATOM 109 C GLN A 242 1.631 5.174 -3.298 1.00 15.00 C ATOM 110 O GLN A 242 1.684 6.068 -4.141 1.00 15.00 O ATOM 111 CB GLN A 242 3.515 6.062 -1.896 1.00 15.00 C ATOM 112 CG GLN A 242 2.772 6.733 -0.737 1.00 15.00 C ATOM 113 CD GLN A 242 1.566 7.549 -1.165 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.686 8.733 -1.477 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.390 6.941 -1.138 1.00 15.00 N ATOM 0 H GLN A 242 4.446 4.620 -3.789 1.00 15.00 H new ATOM 0 HA GLN A 242 2.525 4.203 -1.612 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.516 5.794 -1.559 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.633 6.788 -2.701 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.447 5.965 -0.035 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.465 7.382 -0.202 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.330 5.958 -0.874 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.456 7.456 -1.381 1.00 15.00 H new ATOM 124 N ARG A 243 0.562 4.437 -3.091 1.00 15.00 N ATOM 125 CA ARG A 243 -0.636 4.616 -3.876 1.00 15.00 C ATOM 126 C ARG A 243 -1.752 5.246 -3.052 1.00 15.00 C ATOM 127 O ARG A 243 -1.901 4.972 -1.860 1.00 15.00 O ATOM 128 CB ARG A 243 -1.094 3.282 -4.461 1.00 15.00 C ATOM 129 CG ARG A 243 -2.399 3.408 -5.213 1.00 15.00 C ATOM 130 CD ARG A 243 -2.699 2.210 -6.082 1.00 15.00 C ATOM 131 NE ARG A 243 -3.967 2.395 -6.774 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.199 3.312 -7.711 1.00 15.00 C ATOM 133 NH1 ARG A 243 -3.216 4.068 -8.175 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.417 3.446 -8.217 1.00 15.00 N ATOM 0 H ARG A 243 0.500 3.706 -2.383 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.400 5.297 -4.694 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.325 2.898 -5.132 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.208 2.555 -3.657 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.211 3.544 -4.499 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.368 4.302 -5.835 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.898 2.068 -6.807 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -2.738 1.309 -5.470 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.736 1.775 -6.522 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.269 3.951 -7.815 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.406 4.767 -8.893 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -6.174 2.847 -7.888 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.597 4.148 -8.935 1.00 15.00 H new ATOM 148 N THR A 244 -2.550 6.058 -3.721 1.00 15.00 N ATOM 149 CA THR A 244 -3.627 6.791 -3.092 1.00 15.00 C ATOM 150 C THR A 244 -4.878 6.720 -3.968 1.00 15.00 C ATOM 151 O THR A 244 -4.839 7.069 -5.149 1.00 15.00 O ATOM 152 CB THR A 244 -3.225 8.265 -2.871 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.948 8.328 -2.217 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.263 8.996 -2.028 1.00 15.00 C ATOM 0 H THR A 244 -2.466 6.227 -4.723 1.00 15.00 H new ATOM 0 HA THR A 244 -3.836 6.340 -2.122 1.00 15.00 H new ATOM 0 HB THR A 244 -3.166 8.750 -3.845 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.696 9.265 -2.080 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.954 10.032 -1.888 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.227 8.970 -2.535 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.351 8.509 -1.057 1.00 15.00 H new ATOM 162 N THR A 245 -5.975 6.259 -3.391 1.00 15.00 N ATOM 163 CA THR A 245 -7.235 6.147 -4.114 1.00 15.00 C ATOM 164 C THR A 245 -8.029 7.436 -3.974 1.00 15.00 C ATOM 165 O THR A 245 -7.868 8.151 -2.986 1.00 15.00 O ATOM 166 CB THR A 245 -8.076 4.941 -3.616 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.430 5.037 -4.081 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.070 4.843 -2.097 1.00 15.00 C ATOM 0 H THR A 245 -6.020 5.954 -2.419 1.00 15.00 H new ATOM 0 HA THR A 245 -7.005 5.976 -5.166 1.00 15.00 H new ATOM 0 HB THR A 245 -7.616 4.041 -4.024 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.942 4.267 -3.758 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.669 3.987 -1.785 1.00 15.00 H new ATOM 0 HG22 THR A 245 -7.046 4.717 -1.745 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.491 5.754 -1.672 1.00 15.00 H new ATOM 176 N VAL A 246 -8.841 7.752 -4.986 1.00 15.00 N ATOM 177 CA VAL A 246 -9.704 8.938 -4.961 1.00 15.00 C ATOM 178 C VAL A 246 -10.534 8.984 -3.678 1.00 15.00 C ATOM 179 O VAL A 246 -10.976 10.047 -3.239 1.00 15.00 O ATOM 180 CB VAL A 246 -10.651 8.979 -6.178 1.00 15.00 C ATOM 181 CG1 VAL A 246 -9.867 9.202 -7.462 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.478 7.704 -6.273 1.00 15.00 C ATOM 0 H VAL A 246 -8.920 7.199 -5.839 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.047 9.807 -4.999 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.335 9.816 -6.041 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -10.554 9.228 -8.308 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -9.331 10.149 -7.401 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.154 8.389 -7.598 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -12.136 7.761 -7.140 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -10.814 6.846 -6.378 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -12.077 7.591 -5.369 1.00 15.00 H new ATOM 192 N GLN A 247 -10.733 7.811 -3.097 1.00 15.00 N ATOM 193 CA GLN A 247 -11.350 7.654 -1.785 1.00 15.00 C ATOM 194 C GLN A 247 -10.667 8.530 -0.729 1.00 15.00 C ATOM 195 O GLN A 247 -11.305 9.006 0.209 1.00 15.00 O ATOM 196 CB GLN A 247 -11.241 6.189 -1.380 1.00 15.00 C ATOM 197 CG GLN A 247 -11.572 5.904 0.065 1.00 15.00 C ATOM 198 CD GLN A 247 -13.058 5.813 0.335 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.711 6.810 0.644 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.600 4.616 0.227 1.00 15.00 N ATOM 0 H GLN A 247 -10.467 6.926 -3.529 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.392 7.967 -1.846 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.906 5.601 -2.013 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.226 5.846 -1.580 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -11.099 4.968 0.360 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -11.144 6.688 0.689 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -13.022 3.816 -0.032 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.597 4.490 0.402 1.00 15.00 H new ATOM 209 N GLY A 248 -9.364 8.719 -0.880 1.00 15.00 N ATOM 210 CA GLY A 248 -8.608 9.499 0.077 1.00 15.00 C ATOM 211 C GLY A 248 -7.761 8.635 0.990 1.00 15.00 C ATOM 212 O GLY A 248 -7.240 9.113 1.997 1.00 15.00 O ATOM 0 H GLY A 248 -8.815 8.343 -1.653 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -7.964 10.198 -0.457 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.295 10.094 0.679 1.00 15.00 H new ATOM 216 N GLN A 249 -7.625 7.357 0.646 1.00 15.00 N ATOM 217 CA GLN A 249 -6.820 6.443 1.446 1.00 15.00 C ATOM 218 C GLN A 249 -5.455 6.290 0.807 1.00 15.00 C ATOM 219 O GLN A 249 -5.347 6.210 -0.422 1.00 15.00 O ATOM 220 CB GLN A 249 -7.422 5.043 1.495 1.00 15.00 C ATOM 221 CG GLN A 249 -8.916 4.978 1.375 1.00 15.00 C ATOM 222 CD GLN A 249 -9.654 4.865 2.689 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.221 5.388 3.715 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.778 4.160 2.651 1.00 15.00 N ATOM 0 H GLN A 249 -8.059 6.935 -0.175 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.771 6.863 2.451 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -6.984 4.450 0.692 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.130 4.573 2.434 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.264 5.871 0.855 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.179 4.123 0.752 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -11.092 3.747 1.773 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -11.328 4.031 3.500 1.00 15.00 H new ATOM 233 N VAL A 250 -4.430 6.199 1.619 1.00 15.00 N ATOM 234 CA VAL A 250 -3.126 5.816 1.121 1.00 15.00 C ATOM 235 C VAL A 250 -2.844 4.355 1.471 1.00 15.00 C ATOM 236 O VAL A 250 -2.605 4.016 2.627 1.00 15.00 O ATOM 237 CB VAL A 250 -1.994 6.723 1.654 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.095 8.111 1.043 1.00 15.00 C ATOM 239 CG2 VAL A 250 -2.014 6.819 3.173 1.00 15.00 C ATOM 0 H VAL A 250 -4.470 6.383 2.621 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.145 5.939 0.038 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.047 6.269 1.361 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.291 8.738 1.429 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.010 8.038 -0.041 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -3.056 8.554 1.303 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -1.203 7.466 3.507 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.967 7.235 3.499 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.886 5.825 3.602 1.00 15.00 H new ATOM 249 N TYR A 251 -2.910 3.481 0.476 1.00 15.00 N ATOM 250 CA TYR A 251 -2.620 2.076 0.714 1.00 15.00 C ATOM 251 C TYR A 251 -1.299 1.684 0.061 1.00 15.00 C ATOM 252 O TYR A 251 -1.087 1.906 -1.132 1.00 15.00 O ATOM 253 CB TYR A 251 -3.804 1.138 0.331 1.00 15.00 C ATOM 254 CG TYR A 251 -4.434 1.249 -1.058 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.642 1.935 -1.229 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.902 0.586 -2.178 1.00 15.00 C ATOM 257 CE1 TYR A 251 -6.282 1.953 -2.450 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.537 0.620 -3.392 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.734 1.298 -3.527 1.00 15.00 C ATOM 260 OH TYR A 251 -6.385 1.324 -4.744 1.00 15.00 O ATOM 0 H TYR A 251 -3.157 3.714 -0.486 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.501 1.939 1.789 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.459 0.111 0.452 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.596 1.297 1.063 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -6.079 2.458 -0.392 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -2.976 0.040 -2.080 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -7.216 2.483 -2.561 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.102 0.117 -4.243 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.890 2.160 -4.827 1.00 15.00 H new ATOM 270 N PHE A 252 -0.417 1.093 0.865 1.00 15.00 N ATOM 271 CA PHE A 252 0.950 0.804 0.444 1.00 15.00 C ATOM 272 C PHE A 252 1.031 -0.555 -0.192 1.00 15.00 C ATOM 273 O PHE A 252 0.900 -1.578 0.484 1.00 15.00 O ATOM 274 CB PHE A 252 1.917 0.848 1.628 1.00 15.00 C ATOM 275 CG PHE A 252 2.359 2.238 1.990 1.00 15.00 C ATOM 276 CD1 PHE A 252 3.063 3.006 1.076 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.068 2.784 3.233 1.00 15.00 C ATOM 278 CE1 PHE A 252 3.465 4.289 1.392 1.00 15.00 C ATOM 279 CE2 PHE A 252 2.472 4.066 3.553 1.00 15.00 C ATOM 280 CZ PHE A 252 3.169 4.820 2.630 1.00 15.00 C ATOM 0 H PHE A 252 -0.629 0.803 1.820 1.00 15.00 H new ATOM 0 HA PHE A 252 1.233 1.570 -0.278 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.439 0.390 2.494 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.795 0.246 1.393 1.00 15.00 H new ATOM 0 HD1 PHE A 252 3.300 2.596 0.105 1.00 15.00 H new ATOM 0 HD2 PHE A 252 1.520 2.200 3.958 1.00 15.00 H new ATOM 0 HE1 PHE A 252 4.011 4.877 0.669 1.00 15.00 H new ATOM 0 HE2 PHE A 252 2.243 4.478 4.525 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.482 5.824 2.877 1.00 15.00 H new ATOM 290 N LEU A 253 1.217 -0.558 -1.502 1.00 15.00 N ATOM 291 CA LEU A 253 1.224 -1.788 -2.257 1.00 15.00 C ATOM 292 C LEU A 253 2.597 -2.184 -2.752 1.00 15.00 C ATOM 293 O LEU A 253 3.365 -1.392 -3.295 1.00 15.00 O ATOM 294 CB LEU A 253 0.176 -1.772 -3.379 1.00 15.00 C ATOM 295 CG LEU A 253 -1.185 -2.326 -2.950 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.224 -3.815 -3.244 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.404 -2.055 -1.476 1.00 15.00 C ATOM 0 H LEU A 253 1.365 0.283 -2.060 1.00 15.00 H new ATOM 0 HA LEU A 253 0.936 -2.573 -1.558 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.048 -0.749 -3.732 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.548 -2.355 -4.221 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.985 -1.836 -3.506 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.190 -4.220 -2.942 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -1.079 -3.979 -4.312 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.431 -4.316 -2.689 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.374 -2.450 -1.173 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.618 -2.539 -0.896 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.378 -0.980 -1.296 1.00 15.00 H new ATOM 309 N HIS A 254 2.863 -3.450 -2.531 1.00 15.00 N ATOM 310 CA HIS A 254 4.116 -4.091 -2.867 1.00 15.00 C ATOM 311 C HIS A 254 3.812 -5.489 -3.314 1.00 15.00 C ATOM 312 O HIS A 254 3.486 -6.338 -2.481 1.00 15.00 O ATOM 313 CB HIS A 254 5.029 -4.149 -1.631 1.00 15.00 C ATOM 314 CG HIS A 254 6.150 -5.161 -1.685 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.006 -6.465 -1.245 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.431 -5.056 -2.109 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.148 -7.113 -1.404 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.030 -6.280 -1.924 1.00 15.00 N ATOM 0 H HIS A 254 2.192 -4.084 -2.098 1.00 15.00 H new ATOM 0 HA HIS A 254 4.622 -3.529 -3.652 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.464 -3.161 -1.478 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.413 -4.364 -0.758 1.00 15.00 H new ATOM 0 HD1 HIS A 254 5.151 -6.865 -0.858 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.898 -4.172 -2.518 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.328 -8.147 -1.151 1.00 15.00 H new ATOM 327 N THR A 255 3.868 -5.777 -4.589 1.00 15.00 N ATOM 328 CA THR A 255 3.602 -7.141 -4.931 1.00 15.00 C ATOM 329 C THR A 255 4.888 -7.881 -5.278 1.00 15.00 C ATOM 330 O THR A 255 5.345 -7.937 -6.420 1.00 15.00 O ATOM 331 CB THR A 255 2.563 -7.249 -6.078 1.00 15.00 C ATOM 332 OG1 THR A 255 2.388 -8.616 -6.465 1.00 15.00 O ATOM 333 CG2 THR A 255 2.966 -6.415 -7.288 1.00 15.00 C ATOM 0 H THR A 255 4.079 -5.137 -5.354 1.00 15.00 H new ATOM 0 HA THR A 255 3.168 -7.620 -4.054 1.00 15.00 H new ATOM 0 HB THR A 255 1.619 -6.856 -5.700 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.729 -8.669 -7.188 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.212 -6.518 -8.068 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.046 -5.368 -6.997 1.00 15.00 H new ATOM 0 HG23 THR A 255 3.928 -6.762 -7.665 1.00 15.00 H new ATOM 341 N GLN A 256 5.482 -8.412 -4.224 1.00 15.00 N ATOM 342 CA GLN A 256 6.256 -9.629 -4.255 1.00 15.00 C ATOM 343 C GLN A 256 5.369 -10.726 -3.704 1.00 15.00 C ATOM 344 O GLN A 256 5.224 -11.804 -4.274 1.00 15.00 O ATOM 345 CB GLN A 256 7.527 -9.487 -3.420 1.00 15.00 C ATOM 346 CG GLN A 256 8.356 -10.752 -3.328 1.00 15.00 C ATOM 347 CD GLN A 256 9.551 -10.592 -2.410 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.460 -10.835 -1.210 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.677 -10.176 -2.966 1.00 15.00 N ATOM 0 H GLN A 256 5.434 -7.991 -3.296 1.00 15.00 H new ATOM 0 HA GLN A 256 6.572 -9.861 -5.272 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.141 -8.694 -3.846 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.253 -9.172 -2.413 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.730 -11.568 -2.967 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.701 -11.031 -4.324 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.711 -9.985 -3.967 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.511 -10.046 -2.393 1.00 15.00 H new ATOM 358 N THR A 257 4.784 -10.401 -2.549 1.00 15.00 N ATOM 359 CA THR A 257 3.924 -11.300 -1.813 1.00 15.00 C ATOM 360 C THR A 257 2.576 -10.683 -1.544 1.00 15.00 C ATOM 361 O THR A 257 1.857 -11.024 -0.605 1.00 15.00 O ATOM 362 CB THR A 257 4.548 -11.658 -0.488 1.00 15.00 C ATOM 363 OG1 THR A 257 4.937 -10.453 0.195 1.00 15.00 O ATOM 364 CG2 THR A 257 5.759 -12.560 -0.659 1.00 15.00 C ATOM 0 H THR A 257 4.902 -9.492 -2.102 1.00 15.00 H new ATOM 0 HA THR A 257 3.796 -12.191 -2.428 1.00 15.00 H new ATOM 0 HB THR A 257 3.808 -12.203 0.097 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.342 -10.682 1.058 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.179 -12.794 0.319 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.458 -13.483 -1.155 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.510 -12.051 -1.264 1.00 15.00 H new ATOM 372 N GLY A 258 2.272 -9.820 -2.433 1.00 15.00 N ATOM 373 CA GLY A 258 1.037 -9.047 -2.417 1.00 15.00 C ATOM 374 C GLY A 258 0.779 -8.302 -1.109 1.00 15.00 C ATOM 375 O GLY A 258 -0.082 -8.699 -0.327 1.00 15.00 O ATOM 0 H GLY A 258 2.875 -9.605 -3.227 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.063 -8.325 -3.234 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.200 -9.718 -2.611 1.00 15.00 H new ATOM 379 N VAL A 259 1.517 -7.220 -0.872 1.00 15.00 N ATOM 380 CA VAL A 259 1.252 -6.365 0.294 1.00 15.00 C ATOM 381 C VAL A 259 0.262 -5.269 -0.035 1.00 15.00 C ATOM 382 O VAL A 259 0.497 -4.457 -0.922 1.00 15.00 O ATOM 383 CB VAL A 259 2.530 -5.706 0.892 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.162 -4.580 1.853 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.331 -6.749 1.634 1.00 15.00 C ATOM 0 H VAL A 259 2.293 -6.913 -1.459 1.00 15.00 H new ATOM 0 HA VAL A 259 0.838 -7.041 1.042 1.00 15.00 H new ATOM 0 HB VAL A 259 3.119 -5.290 0.075 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.071 -4.135 2.258 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.592 -3.819 1.320 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.560 -4.980 2.669 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.226 -6.290 2.053 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.727 -7.167 2.439 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.619 -7.544 0.946 1.00 15.00 H new ATOM 395 N SER A 260 -0.843 -5.275 0.693 1.00 15.00 N ATOM 396 CA SER A 260 -1.798 -4.175 0.674 1.00 15.00 C ATOM 397 C SER A 260 -2.134 -3.785 2.095 1.00 15.00 C ATOM 398 O SER A 260 -2.756 -4.554 2.829 1.00 15.00 O ATOM 399 CB SER A 260 -3.074 -4.509 -0.116 1.00 15.00 C ATOM 400 OG SER A 260 -3.548 -5.814 0.182 1.00 15.00 O ATOM 0 H SER A 260 -1.104 -6.041 1.314 1.00 15.00 H new ATOM 0 HA SER A 260 -1.332 -3.336 0.158 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.848 -3.778 0.117 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.872 -4.430 -1.184 1.00 15.00 H new ATOM 0 HG SER A 260 -3.511 -5.962 1.150 1.00 15.00 H new ATOM 406 N THR A 261 -1.711 -2.598 2.486 1.00 15.00 N ATOM 407 CA THR A 261 -1.747 -2.232 3.898 1.00 15.00 C ATOM 408 C THR A 261 -2.076 -0.763 4.130 1.00 15.00 C ATOM 409 O THR A 261 -1.780 0.094 3.295 1.00 15.00 O ATOM 410 CB THR A 261 -0.406 -2.558 4.591 1.00 15.00 C ATOM 411 OG1 THR A 261 0.692 -2.181 3.749 1.00 15.00 O ATOM 412 CG2 THR A 261 -0.304 -4.038 4.936 1.00 15.00 C ATOM 0 H THR A 261 -1.344 -1.879 1.863 1.00 15.00 H new ATOM 0 HA THR A 261 -2.550 -2.828 4.333 1.00 15.00 H new ATOM 0 HB THR A 261 -0.365 -1.987 5.519 1.00 15.00 H new ATOM 0 HG1 THR A 261 1.537 -2.391 4.199 1.00 15.00 H new ATOM 0 HG21 THR A 261 0.652 -4.233 5.422 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.116 -4.311 5.609 1.00 15.00 H new ATOM 0 HG23 THR A 261 -0.374 -4.630 4.023 1.00 15.00 H new ATOM 420 N TRP A 262 -2.714 -0.503 5.269 1.00 15.00 N ATOM 421 CA TRP A 262 -2.953 0.854 5.740 1.00 15.00 C ATOM 422 C TRP A 262 -1.663 1.475 6.251 1.00 15.00 C ATOM 423 O TRP A 262 -1.445 2.681 6.132 1.00 15.00 O ATOM 424 CB TRP A 262 -3.954 0.865 6.897 1.00 15.00 C ATOM 425 CG TRP A 262 -5.400 0.879 6.516 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.426 0.337 7.235 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.997 1.456 5.351 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.614 0.571 6.619 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.382 1.244 5.460 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.510 2.140 4.230 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.274 1.684 4.511 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.413 2.567 3.277 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.782 2.334 3.432 1.00 15.00 C ATOM 0 H TRP A 262 -3.078 -1.227 5.888 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.346 1.421 4.896 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.771 -0.013 7.517 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.754 1.740 7.516 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.310 -0.202 8.163 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.530 0.288 6.968 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.453 2.329 4.114 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.335 1.516 4.624 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.057 3.088 2.400 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.465 2.682 2.671 1.00 15.00 H new ATOM 444 N HIS A 263 -0.840 0.646 6.880 1.00 15.00 N ATOM 445 CA HIS A 263 0.348 1.129 7.566 1.00 15.00 C ATOM 446 C HIS A 263 1.526 1.247 6.611 1.00 15.00 C ATOM 447 O HIS A 263 1.708 0.408 5.728 1.00 15.00 O ATOM 448 CB HIS A 263 0.708 0.204 8.747 1.00 15.00 C ATOM 449 CG HIS A 263 1.558 -0.991 8.393 1.00 15.00 C ATOM 450 ND1 HIS A 263 2.916 -1.033 8.625 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.240 -2.191 7.841 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.392 -2.200 8.237 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.399 -2.925 7.759 1.00 15.00 N ATOM 0 H HIS A 263 -0.975 -0.364 6.928 1.00 15.00 H new ATOM 0 HA HIS A 263 0.126 2.123 7.955 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.232 0.792 9.501 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.216 -0.150 9.204 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.467 -0.278 9.034 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.258 -2.509 7.525 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.424 -2.511 8.300 1.00 15.00 H new ATOM 462 N ASP A 264 2.325 2.286 6.805 1.00 15.00 N ATOM 463 CA ASP A 264 3.582 2.427 6.086 1.00 15.00 C ATOM 464 C ASP A 264 4.459 1.215 6.389 1.00 15.00 C ATOM 465 O ASP A 264 4.613 0.826 7.540 1.00 15.00 O ATOM 466 CB ASP A 264 4.277 3.728 6.500 1.00 15.00 C ATOM 467 CG ASP A 264 5.522 4.030 5.689 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.528 3.307 5.841 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.507 5.010 4.912 1.00 15.00 O1- ATOM 0 H ASP A 264 2.124 3.045 7.456 1.00 15.00 H new ATOM 0 HA ASP A 264 3.399 2.474 5.013 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.575 4.555 6.396 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.545 3.668 7.555 1.00 15.00 H new ATOM 474 N PRO A 265 5.030 0.585 5.369 1.00 15.00 N ATOM 475 CA PRO A 265 5.771 -0.663 5.541 1.00 15.00 C ATOM 476 C PRO A 265 7.156 -0.471 6.121 1.00 15.00 C ATOM 477 O PRO A 265 7.809 -1.430 6.537 1.00 15.00 O ATOM 478 CB PRO A 265 5.834 -1.224 4.133 1.00 15.00 C ATOM 479 CG PRO A 265 5.824 -0.017 3.255 1.00 15.00 C ATOM 480 CD PRO A 265 4.995 1.018 3.963 1.00 15.00 C ATOM 0 HA PRO A 265 5.285 -1.324 6.258 1.00 15.00 H new ATOM 0 HB2 PRO A 265 6.735 -1.819 3.982 1.00 15.00 H new ATOM 0 HB3 PRO A 265 4.984 -1.874 3.925 1.00 15.00 H new ATOM 0 HG2 PRO A 265 6.837 0.347 3.085 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.401 -0.251 2.278 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.411 2.018 3.841 1.00 15.00 H new ATOM 0 HD3 PRO A 265 3.976 1.048 3.578 1.00 15.00 H new ATOM 488 N ARG A 266 7.619 0.754 6.108 1.00 15.00 N ATOM 489 CA ARG A 266 8.887 1.086 6.709 1.00 15.00 C ATOM 490 C ARG A 266 8.691 1.231 8.199 1.00 15.00 C ATOM 491 O ARG A 266 9.641 1.374 8.969 1.00 15.00 O ATOM 492 CB ARG A 266 9.379 2.375 6.103 1.00 15.00 C ATOM 493 CG ARG A 266 10.839 2.679 6.372 1.00 15.00 C ATOM 494 CD ARG A 266 11.759 1.613 5.804 1.00 15.00 C ATOM 495 NE ARG A 266 13.156 2.037 5.822 1.00 15.00 N ATOM 496 CZ ARG A 266 14.188 1.232 5.568 1.00 15.00 C ATOM 497 NH1 ARG A 266 13.996 -0.065 5.345 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.421 1.719 5.561 1.00 15.00 N ATOM 0 H ARG A 266 7.132 1.544 5.684 1.00 15.00 H new ATOM 0 HA ARG A 266 9.626 0.305 6.527 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.221 2.338 5.025 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.773 3.196 6.486 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.093 3.646 5.937 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.000 2.760 7.447 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.650 0.694 6.381 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.462 1.384 4.781 1.00 15.00 H new ATOM 0 HE ARG A 266 13.355 3.013 6.043 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.053 -0.452 5.367 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.792 -0.673 5.152 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.579 2.709 5.750 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.211 1.104 5.367 1.00 15.00 H new ATOM 574 N ASP B 211 -3.309 -5.097 -7.121 1.00 15.00 N ATOM 575 CA ASP B 211 -4.331 -6.122 -7.325 1.00 15.00 C ATOM 576 C ASP B 211 -5.560 -5.981 -6.375 1.00 15.00 C ATOM 577 O ASP B 211 -6.592 -6.608 -6.621 1.00 15.00 O ATOM 578 CB ASP B 211 -3.698 -7.510 -7.151 1.00 15.00 C ATOM 579 CG ASP B 211 -4.583 -8.635 -7.656 1.00 15.00 C ATOM 580 OD1 ASP B 211 -4.745 -8.754 -8.891 1.00 15.00 O ATOM 581 OD2 ASP B 211 -5.093 -9.421 -6.831 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.711 -5.990 -8.338 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.746 -7.538 -7.682 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.479 -7.673 -6.096 1.00 15.00 H new ATOM 586 N PRO B 212 -5.498 -5.172 -5.280 1.00 15.00 N ATOM 587 CA PRO B 212 -6.417 -5.257 -4.164 1.00 15.00 C ATOM 588 C PRO B 212 -7.511 -4.189 -4.174 1.00 15.00 C ATOM 589 O PRO B 212 -7.381 -3.133 -4.799 1.00 15.00 O ATOM 590 CB PRO B 212 -5.463 -4.994 -3.005 1.00 15.00 C ATOM 591 CG PRO B 212 -4.484 -4.040 -3.526 1.00 15.00 C ATOM 592 CD PRO B 212 -4.596 -4.046 -5.023 1.00 15.00 C ATOM 0 HA PRO B 212 -6.968 -6.197 -4.147 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.992 -4.585 -2.144 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.980 -5.914 -2.675 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.675 -3.042 -3.132 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.476 -4.318 -3.216 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -5.003 -3.108 -5.401 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.626 -4.188 -5.500 1.00 15.00 H new ATOM 600 N GLY B 213 -8.571 -4.459 -3.443 1.00 15.00 N ATOM 601 CA GLY B 213 -9.564 -3.446 -3.192 1.00 15.00 C ATOM 602 C GLY B 213 -9.205 -2.681 -1.938 1.00 15.00 C ATOM 603 O GLY B 213 -8.425 -3.169 -1.115 1.00 15.00 O ATOM 0 H GLY B 213 -8.764 -5.365 -3.016 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.625 -2.765 -4.041 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.546 -3.905 -3.081 1.00 15.00 H new ATOM 621 N PRO B 215 -9.741 -0.814 1.746 1.00 15.00 N ATOM 622 CA PRO B 215 -10.432 -1.170 2.989 1.00 15.00 C ATOM 623 C PRO B 215 -11.261 -0.026 3.573 1.00 15.00 C ATOM 624 O PRO B 215 -10.853 1.127 3.578 1.00 15.00 O ATOM 625 CB PRO B 215 -9.251 -1.469 3.950 1.00 15.00 C ATOM 626 CG PRO B 215 -8.023 -1.424 3.099 1.00 15.00 C ATOM 627 CD PRO B 215 -8.353 -0.462 2.003 1.00 15.00 C ATOM 0 HA PRO B 215 -11.137 -1.986 2.832 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.201 -0.732 4.751 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.366 -2.445 4.422 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.157 -1.090 3.671 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.781 -2.409 2.701 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.240 0.576 2.315 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.721 -0.601 1.126 1.00 15.00 H new ATOM 635 N PHE B 216 -12.446 -0.374 4.064 1.00 15.00 N ATOM 636 CA PHE B 216 -13.309 0.579 4.757 1.00 15.00 C ATOM 637 C PHE B 216 -13.090 0.473 6.262 1.00 15.00 C ATOM 638 O PHE B 216 -13.827 1.056 7.058 1.00 15.00 O ATOM 639 CB PHE B 216 -14.782 0.307 4.433 1.00 15.00 C ATOM 640 CG PHE B 216 -15.146 0.534 2.993 1.00 15.00 C ATOM 641 CD1 PHE B 216 -15.228 -0.528 2.107 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.419 1.811 2.528 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.575 -0.321 0.785 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.763 2.024 1.208 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.842 0.958 0.335 1.00 15.00 C ATOM 0 H PHE B 216 -12.833 -1.315 3.995 1.00 15.00 H new ATOM 0 HA PHE B 216 -13.056 1.584 4.420 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -15.017 -0.724 4.698 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.405 0.946 5.059 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -15.018 -1.529 2.453 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.362 2.649 3.206 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.637 -1.158 0.105 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.970 3.025 0.859 1.00 15.00 H new ATOM 0 HZ PHE B 216 -16.112 1.123 -0.698 1.00 15.00 H new