USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 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 261 THR OG1 : rot 120:sc= -1.39! USER MOD Set 1.2: A 263 HIS : no HE2:sc= -3.17! K(o=-4.6!,f=0.51) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -3.64! K(o=-3.6!,f=-1.6) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-3.6,f=-2.4) USER MOD Set 3.1: A 242 GLN : amide:sc= 0.273 K(o=1.1,f=-1.8) USER MOD Set 3.2: A 244 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.357 USER MOD Single : A 247 GLN : amide:sc= 0.193 X(o=0.19,f=0.19) USER MOD Single : A 249 GLN : amide:sc= -4.93! K(o=-4.9!,f=-2.8) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.314 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 43:sc= 0.00577 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.656 3.943 1.696 1.00 15.00 N ATOM 17 CA LEU A 236 10.424 2.544 2.001 1.00 15.00 C ATOM 18 C LEU A 236 11.633 1.718 1.596 1.00 15.00 C ATOM 19 O LEU A 236 12.550 2.220 0.949 1.00 15.00 O ATOM 20 CB LEU A 236 9.199 1.996 1.236 1.00 15.00 C ATOM 21 CG LEU A 236 7.848 2.680 1.479 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.559 2.765 2.961 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.786 4.056 0.828 1.00 15.00 C ATOM 0 HA LEU A 236 10.244 2.471 3.074 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.417 2.051 0.169 1.00 15.00 H new ATOM 0 HB3 LEU A 236 9.091 0.940 1.486 1.00 15.00 H new ATOM 0 HG LEU A 236 7.076 2.070 1.010 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.597 3.253 3.117 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.529 1.761 3.384 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.342 3.343 3.452 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.813 4.507 1.023 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.570 4.690 1.242 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.930 3.956 -0.248 1.00 15.00 H new ATOM 35 N PRO A 237 11.640 0.434 1.969 1.00 15.00 N ATOM 36 CA PRO A 237 12.510 -0.544 1.324 1.00 15.00 C ATOM 37 C PRO A 237 12.024 -0.784 -0.099 1.00 15.00 C ATOM 38 O PRO A 237 10.824 -0.731 -0.372 1.00 15.00 O ATOM 39 CB PRO A 237 12.332 -1.815 2.169 1.00 15.00 C ATOM 40 CG PRO A 237 11.673 -1.378 3.434 1.00 15.00 C ATOM 41 CD PRO A 237 10.905 -0.129 3.112 1.00 15.00 C ATOM 0 HA PRO A 237 13.551 -0.226 1.266 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.721 -2.550 1.645 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.294 -2.286 2.372 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.008 -2.154 3.812 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.414 -1.187 4.210 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.869 -0.349 2.855 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.885 0.560 3.956 1.00 15.00 H new ATOM 49 N GLU A 238 12.950 -1.063 -0.992 1.00 15.00 N ATOM 50 CA GLU A 238 12.660 -1.055 -2.418 1.00 15.00 C ATOM 51 C GLU A 238 11.750 -2.208 -2.817 1.00 15.00 C ATOM 52 O GLU A 238 12.106 -3.381 -2.692 1.00 15.00 O ATOM 53 CB GLU A 238 13.959 -1.086 -3.217 1.00 15.00 C ATOM 54 CG GLU A 238 14.747 0.207 -3.104 1.00 15.00 C ATOM 55 CD GLU A 238 16.153 0.094 -3.648 1.00 15.00 C ATOM 56 OE1 GLU A 238 17.114 0.238 -2.859 1.00 15.00 O ATOM 57 OE2 GLU A 238 16.308 -0.139 -4.864 1.00 15.00 O1- ATOM 0 H GLU A 238 13.914 -1.299 -0.759 1.00 15.00 H new ATOM 0 HA GLU A 238 12.126 -0.132 -2.646 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.576 -1.914 -2.868 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.731 -1.278 -4.266 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.219 0.995 -3.640 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.792 0.508 -2.057 1.00 15.00 H new ATOM 64 N GLY A 239 10.567 -1.846 -3.285 1.00 15.00 N ATOM 65 CA GLY A 239 9.579 -2.827 -3.682 1.00 15.00 C ATOM 66 C GLY A 239 8.162 -2.342 -3.438 1.00 15.00 C ATOM 67 O GLY A 239 7.207 -2.901 -3.976 1.00 15.00 O ATOM 0 H GLY A 239 10.270 -0.877 -3.398 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.705 -3.060 -4.739 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.745 -3.752 -3.130 1.00 15.00 H new ATOM 71 N TYR A 240 8.019 -1.310 -2.615 1.00 15.00 N ATOM 72 CA TYR A 240 6.704 -0.752 -2.308 1.00 15.00 C ATOM 73 C TYR A 240 6.398 0.424 -3.218 1.00 15.00 C ATOM 74 O TYR A 240 7.225 1.326 -3.380 1.00 15.00 O ATOM 75 CB TYR A 240 6.639 -0.257 -0.857 1.00 15.00 C ATOM 76 CG TYR A 240 6.921 -1.315 0.178 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.177 -1.437 0.745 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.932 -2.190 0.583 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.447 -2.406 1.684 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.187 -3.166 1.523 1.00 15.00 C ATOM 81 CZ TYR A 240 7.449 -3.273 2.072 1.00 15.00 C ATOM 82 OH TYR A 240 7.707 -4.248 3.011 1.00 15.00 O ATOM 0 H TYR A 240 8.795 -0.842 -2.148 1.00 15.00 H new ATOM 0 HA TYR A 240 5.974 -1.548 -2.459 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.354 0.556 -0.731 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.648 0.159 -0.672 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.961 -0.758 0.445 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.943 -2.108 0.157 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.434 -2.486 2.114 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.403 -3.843 1.828 1.00 15.00 H new ATOM 0 HH TYR A 240 6.894 -4.772 3.171 1.00 15.00 H new ATOM 92 N GLU A 241 5.211 0.435 -3.790 1.00 15.00 N ATOM 93 CA GLU A 241 4.759 1.587 -4.538 1.00 15.00 C ATOM 94 C GLU A 241 3.698 2.329 -3.737 1.00 15.00 C ATOM 95 O GLU A 241 2.859 1.715 -3.073 1.00 15.00 O ATOM 96 CB GLU A 241 4.215 1.186 -5.912 1.00 15.00 C ATOM 97 CG GLU A 241 3.081 0.183 -5.873 1.00 15.00 C ATOM 98 CD GLU A 241 2.465 -0.016 -7.239 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.556 0.761 -7.597 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.898 -0.930 -7.969 1.00 15.00 O1- ATOM 0 H GLU A 241 4.546 -0.337 -3.751 1.00 15.00 H new ATOM 0 HA GLU A 241 5.611 2.245 -4.706 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.872 2.083 -6.428 1.00 15.00 H new ATOM 0 HB3 GLU A 241 5.030 0.770 -6.504 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.451 -0.771 -5.498 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.317 0.525 -5.175 1.00 15.00 H new ATOM 107 N GLN A 242 3.722 3.648 -3.820 1.00 15.00 N ATOM 108 CA GLN A 242 2.780 4.464 -3.079 1.00 15.00 C ATOM 109 C GLN A 242 1.546 4.687 -3.934 1.00 15.00 C ATOM 110 O GLN A 242 1.632 5.225 -5.041 1.00 15.00 O ATOM 111 CB GLN A 242 3.430 5.802 -2.693 1.00 15.00 C ATOM 112 CG GLN A 242 2.684 6.582 -1.611 1.00 15.00 C ATOM 113 CD GLN A 242 1.410 7.247 -2.104 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.310 7.650 -3.263 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.427 7.367 -1.226 1.00 15.00 N ATOM 0 H GLN A 242 4.382 4.174 -4.392 1.00 15.00 H new ATOM 0 HA GLN A 242 2.490 3.956 -2.159 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.447 5.611 -2.350 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.506 6.425 -3.584 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.437 5.905 -0.793 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.347 7.345 -1.204 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.548 7.020 -0.274 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.452 7.806 -1.501 1.00 15.00 H new ATOM 124 N ARG A 243 0.406 4.239 -3.437 1.00 15.00 N ATOM 125 CA ARG A 243 -0.840 4.399 -4.154 1.00 15.00 C ATOM 126 C ARG A 243 -1.879 5.110 -3.297 1.00 15.00 C ATOM 127 O ARG A 243 -2.056 4.806 -2.114 1.00 15.00 O ATOM 128 CB ARG A 243 -1.376 3.046 -4.628 1.00 15.00 C ATOM 129 CG ARG A 243 -2.734 3.164 -5.290 1.00 15.00 C ATOM 130 CD ARG A 243 -3.054 1.995 -6.198 1.00 15.00 C ATOM 131 NE ARG A 243 -4.286 2.247 -6.943 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.394 2.214 -8.266 1.00 15.00 C ATOM 133 NH1 ARG A 243 -3.379 1.789 -9.012 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.536 2.552 -8.844 1.00 15.00 N ATOM 0 H ARG A 243 0.321 3.762 -2.539 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.640 5.016 -5.030 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.669 2.604 -5.330 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.447 2.368 -3.778 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.502 3.240 -4.520 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.771 4.087 -5.869 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.230 1.830 -6.892 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.160 1.086 -5.606 1.00 15.00 H new ATOM 0 HE ARG A 243 -5.126 2.465 -6.406 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.512 1.486 -8.568 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.467 1.766 -10.028 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -6.332 2.837 -8.273 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.620 2.527 -9.860 1.00 15.00 H new ATOM 148 N THR A 244 -2.581 6.032 -3.928 1.00 15.00 N ATOM 149 CA THR A 244 -3.614 6.809 -3.283 1.00 15.00 C ATOM 150 C THR A 244 -4.883 6.755 -4.124 1.00 15.00 C ATOM 151 O THR A 244 -4.855 7.030 -5.323 1.00 15.00 O ATOM 152 CB THR A 244 -3.180 8.279 -3.115 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.836 8.338 -2.625 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.107 9.018 -2.159 1.00 15.00 C ATOM 0 H THR A 244 -2.446 6.262 -4.912 1.00 15.00 H new ATOM 0 HA THR A 244 -3.796 6.387 -2.295 1.00 15.00 H new ATOM 0 HB THR A 244 -3.235 8.763 -4.090 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.566 9.274 -2.522 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.777 10.052 -2.059 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.124 8.997 -2.550 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.084 8.534 -1.183 1.00 15.00 H new ATOM 162 N THR A 245 -5.978 6.366 -3.506 1.00 15.00 N ATOM 163 CA THR A 245 -7.258 6.318 -4.184 1.00 15.00 C ATOM 164 C THR A 245 -8.015 7.623 -3.974 1.00 15.00 C ATOM 165 O THR A 245 -7.839 8.282 -2.947 1.00 15.00 O ATOM 166 CB THR A 245 -8.113 5.125 -3.693 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.480 5.284 -4.093 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.033 4.976 -2.179 1.00 15.00 C ATOM 0 H THR A 245 -6.008 6.076 -2.528 1.00 15.00 H new ATOM 0 HA THR A 245 -7.066 6.181 -5.248 1.00 15.00 H new ATOM 0 HB THR A 245 -7.711 4.221 -4.151 1.00 15.00 H new ATOM 0 HG1 THR A 245 -10.005 4.520 -3.775 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.644 4.130 -1.864 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.997 4.806 -1.884 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.401 5.886 -1.704 1.00 15.00 H new ATOM 176 N VAL A 246 -8.846 7.993 -4.953 1.00 15.00 N ATOM 177 CA VAL A 246 -9.706 9.173 -4.847 1.00 15.00 C ATOM 178 C VAL A 246 -10.559 9.103 -3.587 1.00 15.00 C ATOM 179 O VAL A 246 -11.065 10.111 -3.095 1.00 15.00 O ATOM 180 CB VAL A 246 -10.627 9.317 -6.077 1.00 15.00 C ATOM 181 CG1 VAL A 246 -9.818 9.709 -7.304 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.396 8.025 -6.335 1.00 15.00 C ATOM 0 H VAL A 246 -8.941 7.487 -5.834 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.052 10.044 -4.799 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.349 10.107 -5.870 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -10.483 9.806 -8.162 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -9.319 10.661 -7.122 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.072 8.941 -7.508 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -12.038 8.152 -7.207 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -10.692 7.213 -6.518 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -12.008 7.786 -5.465 1.00 15.00 H new ATOM 192 N GLN A 247 -10.711 7.885 -3.092 1.00 15.00 N ATOM 193 CA GLN A 247 -11.318 7.604 -1.799 1.00 15.00 C ATOM 194 C GLN A 247 -10.741 8.506 -0.699 1.00 15.00 C ATOM 195 O GLN A 247 -11.434 8.868 0.252 1.00 15.00 O ATOM 196 CB GLN A 247 -11.055 6.135 -1.477 1.00 15.00 C ATOM 197 CG GLN A 247 -11.361 5.714 -0.059 1.00 15.00 C ATOM 198 CD GLN A 247 -12.849 5.615 0.208 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.491 6.591 0.599 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.401 4.435 0.012 1.00 15.00 N ATOM 0 H GLN A 247 -10.410 7.046 -3.588 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.388 7.805 -1.843 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.647 5.521 -2.155 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.007 5.918 -1.684 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.895 4.749 0.139 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.918 6.430 0.633 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.832 3.653 -0.313 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.398 4.303 0.185 1.00 15.00 H new ATOM 209 N GLY A 248 -9.467 8.856 -0.832 1.00 15.00 N ATOM 210 CA GLY A 248 -8.827 9.725 0.133 1.00 15.00 C ATOM 211 C GLY A 248 -7.997 8.962 1.144 1.00 15.00 C ATOM 212 O GLY A 248 -7.685 9.480 2.216 1.00 15.00 O ATOM 0 H GLY A 248 -8.864 8.551 -1.596 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.190 10.437 -0.391 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.588 10.304 0.656 1.00 15.00 H new ATOM 216 N GLN A 249 -7.641 7.728 0.810 1.00 15.00 N ATOM 217 CA GLN A 249 -6.827 6.907 1.700 1.00 15.00 C ATOM 218 C GLN A 249 -5.616 6.380 0.945 1.00 15.00 C ATOM 219 O GLN A 249 -5.692 6.115 -0.259 1.00 15.00 O ATOM 220 CB GLN A 249 -7.630 5.722 2.245 1.00 15.00 C ATOM 221 CG GLN A 249 -9.114 5.985 2.389 1.00 15.00 C ATOM 222 CD GLN A 249 -9.859 4.840 3.050 1.00 15.00 C ATOM 223 OE1 GLN A 249 -10.017 4.809 4.269 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.324 3.887 2.252 1.00 15.00 N ATOM 0 H GLN A 249 -7.901 7.275 -0.066 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.508 7.528 2.537 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.487 4.867 1.584 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.227 5.443 3.218 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.261 6.893 2.974 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.542 6.168 1.403 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.174 3.947 1.245 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.832 3.095 2.646 1.00 15.00 H new ATOM 233 N VAL A 250 -4.511 6.212 1.651 1.00 15.00 N ATOM 234 CA VAL A 250 -3.307 5.662 1.052 1.00 15.00 C ATOM 235 C VAL A 250 -3.125 4.205 1.469 1.00 15.00 C ATOM 236 O VAL A 250 -3.327 3.851 2.631 1.00 15.00 O ATOM 237 CB VAL A 250 -2.044 6.481 1.423 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.159 7.906 0.900 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.806 6.487 2.927 1.00 15.00 C ATOM 0 H VAL A 250 -4.423 6.448 2.639 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.430 5.718 -0.030 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.187 6.000 0.950 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.264 8.466 1.170 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.263 7.888 -0.185 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -3.033 8.386 1.340 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.913 7.070 3.152 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.665 6.931 3.430 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.669 5.464 3.278 1.00 15.00 H new ATOM 249 N TYR A 251 -2.775 3.360 0.514 1.00 15.00 N ATOM 250 CA TYR A 251 -2.522 1.959 0.796 1.00 15.00 C ATOM 251 C TYR A 251 -1.239 1.517 0.095 1.00 15.00 C ATOM 252 O TYR A 251 -1.082 1.692 -1.116 1.00 15.00 O ATOM 253 CB TYR A 251 -3.744 1.085 0.419 1.00 15.00 C ATOM 254 CG TYR A 251 -4.282 1.244 -0.993 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.862 0.407 -2.027 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.253 2.201 -1.287 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.371 0.515 -3.287 1.00 15.00 C ATOM 258 CE2 TYR A 251 -5.766 2.317 -2.559 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.328 1.476 -3.555 1.00 15.00 C ATOM 260 OH TYR A 251 -5.849 1.605 -4.818 1.00 15.00 O ATOM 0 H TYR A 251 -2.660 3.621 -0.465 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.375 1.826 1.868 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.473 0.039 0.565 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.550 1.306 1.118 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -3.115 -0.346 -1.824 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -5.607 2.859 -0.507 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -4.029 -0.145 -4.070 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -6.512 3.068 -2.775 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.510 2.329 -4.827 1.00 15.00 H new ATOM 270 N PHE A 252 -0.313 0.955 0.870 1.00 15.00 N ATOM 271 CA PHE A 252 1.022 0.643 0.372 1.00 15.00 C ATOM 272 C PHE A 252 1.084 -0.741 -0.216 1.00 15.00 C ATOM 273 O PHE A 252 0.957 -1.739 0.495 1.00 15.00 O ATOM 274 CB PHE A 252 2.066 0.764 1.479 1.00 15.00 C ATOM 275 CG PHE A 252 2.503 2.183 1.710 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.314 2.797 2.938 1.00 15.00 C ATOM 277 CD2 PHE A 252 3.077 2.914 0.683 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.689 4.109 3.133 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.461 4.226 0.878 1.00 15.00 C ATOM 280 CZ PHE A 252 3.265 4.824 2.105 1.00 15.00 C ATOM 0 H PHE A 252 -0.465 0.707 1.848 1.00 15.00 H new ATOM 0 HA PHE A 252 1.242 1.369 -0.411 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.657 0.359 2.405 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.935 0.158 1.222 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.868 2.242 3.750 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.226 2.452 -0.282 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.531 4.578 4.093 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.914 4.783 0.071 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.562 5.851 2.260 1.00 15.00 H new ATOM 290 N LEU A 253 1.279 -0.796 -1.523 1.00 15.00 N ATOM 291 CA LEU A 253 1.297 -2.057 -2.230 1.00 15.00 C ATOM 292 C LEU A 253 2.677 -2.474 -2.683 1.00 15.00 C ATOM 293 O LEU A 253 3.454 -1.705 -3.247 1.00 15.00 O ATOM 294 CB LEU A 253 0.270 -2.084 -3.371 1.00 15.00 C ATOM 295 CG LEU A 253 -1.097 -2.619 -2.951 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.149 -4.107 -3.246 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.329 -2.342 -1.477 1.00 15.00 C ATOM 0 H LEU A 253 1.427 0.022 -2.113 1.00 15.00 H new ATOM 0 HA LEU A 253 0.994 -2.813 -1.506 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.150 -1.075 -3.765 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.658 -2.699 -4.183 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.887 -2.120 -3.511 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.121 -4.503 -2.951 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.999 -4.272 -4.313 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.365 -4.616 -2.686 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.306 -2.726 -1.184 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.554 -2.833 -0.888 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.293 -1.267 -1.299 1.00 15.00 H new ATOM 309 N HIS A 254 2.940 -3.733 -2.408 1.00 15.00 N ATOM 310 CA HIS A 254 4.207 -4.382 -2.698 1.00 15.00 C ATOM 311 C HIS A 254 3.934 -5.813 -3.068 1.00 15.00 C ATOM 312 O HIS A 254 3.650 -6.628 -2.187 1.00 15.00 O ATOM 313 CB HIS A 254 5.125 -4.358 -1.466 1.00 15.00 C ATOM 314 CG HIS A 254 6.266 -5.346 -1.492 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.307 -6.470 -0.687 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.395 -5.384 -2.234 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.409 -7.154 -0.940 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.088 -6.514 -1.874 1.00 15.00 N ATOM 0 H HIS A 254 2.262 -4.353 -1.965 1.00 15.00 H new ATOM 0 HA HIS A 254 4.700 -3.853 -3.514 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.537 -3.355 -1.360 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.521 -4.549 -0.579 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.697 -4.658 -2.975 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.704 -8.078 -0.464 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.982 -6.811 -2.265 1.00 15.00 H new ATOM 327 N THR A 255 3.980 -6.164 -4.329 1.00 15.00 N ATOM 328 CA THR A 255 3.749 -7.552 -4.608 1.00 15.00 C ATOM 329 C THR A 255 5.063 -8.293 -4.816 1.00 15.00 C ATOM 330 O THR A 255 5.613 -8.386 -5.912 1.00 15.00 O ATOM 331 CB THR A 255 2.804 -7.748 -5.817 1.00 15.00 C ATOM 332 OG1 THR A 255 2.680 -9.139 -6.128 1.00 15.00 O ATOM 333 CG2 THR A 255 3.289 -6.984 -7.044 1.00 15.00 C ATOM 0 H THR A 255 4.162 -5.555 -5.127 1.00 15.00 H new ATOM 0 HA THR A 255 3.252 -7.979 -3.737 1.00 15.00 H new ATOM 0 HB THR A 255 1.829 -7.349 -5.538 1.00 15.00 H new ATOM 0 HG1 THR A 255 2.078 -9.251 -6.894 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.598 -7.148 -7.871 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.335 -5.919 -6.815 1.00 15.00 H new ATOM 0 HG23 THR A 255 4.281 -7.338 -7.324 1.00 15.00 H new ATOM 341 N GLN A 256 5.585 -8.753 -3.697 1.00 15.00 N ATOM 342 CA GLN A 256 6.390 -9.948 -3.612 1.00 15.00 C ATOM 343 C GLN A 256 5.487 -11.041 -3.078 1.00 15.00 C ATOM 344 O GLN A 256 5.361 -12.127 -3.637 1.00 15.00 O ATOM 345 CB GLN A 256 7.580 -9.731 -2.682 1.00 15.00 C ATOM 346 CG GLN A 256 8.503 -10.923 -2.564 1.00 15.00 C ATOM 347 CD GLN A 256 9.597 -10.704 -1.537 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.406 -9.990 -0.552 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.748 -11.312 -1.762 1.00 15.00 N ATOM 0 H GLN A 256 5.455 -8.290 -2.797 1.00 15.00 H new ATOM 0 HA GLN A 256 6.794 -10.217 -4.588 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.154 -8.876 -3.039 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.209 -9.474 -1.690 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.922 -11.804 -2.291 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.955 -11.128 -3.535 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.863 -11.895 -2.591 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.521 -11.199 -1.107 1.00 15.00 H new ATOM 358 N THR A 257 4.851 -10.686 -1.959 1.00 15.00 N ATOM 359 CA THR A 257 3.989 -11.573 -1.212 1.00 15.00 C ATOM 360 C THR A 257 2.602 -11.013 -1.087 1.00 15.00 C ATOM 361 O THR A 257 1.818 -11.351 -0.201 1.00 15.00 O ATOM 362 CB THR A 257 4.532 -11.762 0.179 1.00 15.00 C ATOM 363 OG1 THR A 257 4.706 -10.478 0.804 1.00 15.00 O ATOM 364 CG2 THR A 257 5.859 -12.498 0.174 1.00 15.00 C ATOM 0 H THR A 257 4.929 -9.755 -1.549 1.00 15.00 H new ATOM 0 HA THR A 257 3.952 -12.520 -1.751 1.00 15.00 H new ATOM 0 HB THR A 257 3.815 -12.365 0.736 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.058 -10.600 1.710 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.215 -12.613 1.198 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.728 -13.482 -0.277 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.589 -11.929 -0.402 1.00 15.00 H new ATOM 372 N GLY A 258 2.345 -10.204 -2.031 1.00 15.00 N ATOM 373 CA GLY A 258 1.112 -9.437 -2.111 1.00 15.00 C ATOM 374 C GLY A 258 0.832 -8.595 -0.870 1.00 15.00 C ATOM 375 O GLY A 258 -0.046 -8.929 -0.077 1.00 15.00 O ATOM 0 H GLY A 258 2.985 -10.031 -2.806 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.158 -8.782 -2.981 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.279 -10.121 -2.271 1.00 15.00 H new ATOM 379 N VAL A 259 1.565 -7.494 -0.701 1.00 15.00 N ATOM 380 CA VAL A 259 1.294 -6.580 0.410 1.00 15.00 C ATOM 381 C VAL A 259 0.297 -5.514 0.023 1.00 15.00 C ATOM 382 O VAL A 259 0.532 -4.734 -0.891 1.00 15.00 O ATOM 383 CB VAL A 259 2.561 -5.877 0.970 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.181 -4.766 1.942 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.409 -6.899 1.683 1.00 15.00 C ATOM 0 H VAL A 259 2.337 -7.216 -1.307 1.00 15.00 H new ATOM 0 HA VAL A 259 0.887 -7.219 1.193 1.00 15.00 H new ATOM 0 HB VAL A 259 3.115 -5.434 0.143 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.085 -4.289 2.321 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.568 -4.026 1.427 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.618 -5.188 2.774 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.302 -6.417 2.081 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.838 -7.338 2.501 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.701 -7.682 0.983 1.00 15.00 H new ATOM 395 N SER A 260 -0.807 -5.514 0.743 1.00 15.00 N ATOM 396 CA SER A 260 -1.791 -4.442 0.673 1.00 15.00 C ATOM 397 C SER A 260 -2.145 -4.015 2.084 1.00 15.00 C ATOM 398 O SER A 260 -2.779 -4.761 2.831 1.00 15.00 O ATOM 399 CB SER A 260 -3.046 -4.844 -0.124 1.00 15.00 C ATOM 400 OG SER A 260 -3.465 -6.162 0.192 1.00 15.00 O ATOM 0 H SER A 260 -1.052 -6.258 1.396 1.00 15.00 H new ATOM 0 HA SER A 260 -1.354 -3.603 0.132 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.853 -4.144 0.090 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.838 -4.774 -1.192 1.00 15.00 H new ATOM 0 HG SER A 260 -3.414 -6.298 1.161 1.00 15.00 H new ATOM 406 N THR A 261 -1.702 -2.830 2.464 1.00 15.00 N ATOM 407 CA THR A 261 -1.773 -2.443 3.864 1.00 15.00 C ATOM 408 C THR A 261 -1.931 -0.937 4.062 1.00 15.00 C ATOM 409 O THR A 261 -1.489 -0.132 3.237 1.00 15.00 O ATOM 410 CB THR A 261 -0.535 -2.940 4.638 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.719 -2.721 6.040 1.00 15.00 O ATOM 412 CG2 THR A 261 0.733 -2.239 4.165 1.00 15.00 C ATOM 0 H THR A 261 -1.298 -2.132 1.840 1.00 15.00 H new ATOM 0 HA THR A 261 -2.669 -2.920 4.261 1.00 15.00 H new ATOM 0 HB THR A 261 -0.422 -4.007 4.447 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.681 -3.579 6.513 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.587 -2.612 4.730 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.885 -2.438 3.104 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.635 -1.165 4.322 1.00 15.00 H new ATOM 420 N TRP A 262 -2.597 -0.580 5.159 1.00 15.00 N ATOM 421 CA TRP A 262 -2.774 0.812 5.550 1.00 15.00 C ATOM 422 C TRP A 262 -1.473 1.435 6.039 1.00 15.00 C ATOM 423 O TRP A 262 -1.287 2.649 5.947 1.00 15.00 O ATOM 424 CB TRP A 262 -3.788 0.934 6.689 1.00 15.00 C ATOM 425 CG TRP A 262 -5.218 0.743 6.304 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.096 -0.160 6.836 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.951 1.477 5.318 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.325 -0.010 6.273 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.263 0.977 5.338 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.639 2.512 4.425 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.249 1.467 4.514 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.640 2.989 3.597 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.927 2.459 3.661 1.00 15.00 C ATOM 0 H TRP A 262 -3.027 -1.248 5.799 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.124 1.334 4.659 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.536 0.201 7.456 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.681 1.919 7.142 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.849 -0.888 7.595 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.157 -0.549 6.512 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.643 2.927 4.384 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.252 1.068 4.550 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.422 3.780 2.894 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.690 2.855 3.007 1.00 15.00 H new ATOM 444 N HIS A 263 -0.598 0.618 6.613 1.00 15.00 N ATOM 445 CA HIS A 263 0.576 1.149 7.296 1.00 15.00 C ATOM 446 C HIS A 263 1.757 1.271 6.348 1.00 15.00 C ATOM 447 O HIS A 263 2.020 0.372 5.548 1.00 15.00 O ATOM 448 CB HIS A 263 0.959 0.282 8.521 1.00 15.00 C ATOM 449 CG HIS A 263 1.841 -0.907 8.230 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.212 -0.896 8.407 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.539 -2.148 7.782 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.705 -2.075 8.078 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.713 -2.851 7.697 1.00 15.00 N ATOM 0 H HIS A 263 -0.676 -0.399 6.620 1.00 15.00 H new ATOM 0 HA HIS A 263 0.317 2.146 7.652 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.465 0.917 9.249 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.043 -0.075 8.991 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.757 -0.101 8.740 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.554 -2.517 7.537 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.747 -2.356 8.115 1.00 15.00 H new ATOM 462 N ASP A 264 2.458 2.392 6.439 1.00 15.00 N ATOM 463 CA ASP A 264 3.748 2.533 5.782 1.00 15.00 C ATOM 464 C ASP A 264 4.653 1.413 6.276 1.00 15.00 C ATOM 465 O ASP A 264 4.865 1.270 7.472 1.00 15.00 O ATOM 466 CB ASP A 264 4.348 3.907 6.101 1.00 15.00 C ATOM 467 CG ASP A 264 5.658 4.180 5.393 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.697 3.674 5.849 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.659 4.939 4.400 1.00 15.00 O1- ATOM 0 H ASP A 264 2.156 3.215 6.960 1.00 15.00 H new ATOM 0 HA ASP A 264 3.639 2.463 4.700 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.630 4.680 5.827 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.504 3.984 7.177 1.00 15.00 H new ATOM 474 N PRO A 265 5.147 0.560 5.380 1.00 15.00 N ATOM 475 CA PRO A 265 5.897 -0.631 5.769 1.00 15.00 C ATOM 476 C PRO A 265 7.257 -0.329 6.352 1.00 15.00 C ATOM 477 O PRO A 265 7.902 -1.203 6.934 1.00 15.00 O ATOM 478 CB PRO A 265 6.021 -1.440 4.479 1.00 15.00 C ATOM 479 CG PRO A 265 5.105 -0.778 3.499 1.00 15.00 C ATOM 480 CD PRO A 265 4.994 0.654 3.926 1.00 15.00 C ATOM 0 HA PRO A 265 5.382 -1.166 6.567 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.048 -1.442 4.115 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.737 -2.480 4.640 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.501 -0.852 2.486 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.127 -1.259 3.495 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.769 1.274 3.475 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.035 1.089 3.645 1.00 15.00 H new ATOM 488 N ARG A 266 7.706 0.888 6.164 1.00 15.00 N ATOM 489 CA ARG A 266 8.929 1.335 6.783 1.00 15.00 C ATOM 490 C ARG A 266 8.640 1.672 8.231 1.00 15.00 C ATOM 491 O ARG A 266 9.542 1.897 9.039 1.00 15.00 O ATOM 492 CB ARG A 266 9.450 2.548 6.046 1.00 15.00 C ATOM 493 CG ARG A 266 10.901 2.867 6.341 1.00 15.00 C ATOM 494 CD ARG A 266 11.824 1.754 5.884 1.00 15.00 C ATOM 495 NE ARG A 266 13.225 2.053 6.163 1.00 15.00 N ATOM 496 CZ ARG A 266 14.133 1.131 6.468 1.00 15.00 C ATOM 497 NH1 ARG A 266 13.779 -0.143 6.589 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.396 1.490 6.667 1.00 15.00 N ATOM 0 H ARG A 266 7.241 1.588 5.586 1.00 15.00 H new ATOM 0 HA ARG A 266 9.688 0.554 6.740 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.334 2.388 4.974 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.838 3.411 6.308 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.178 3.797 5.843 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.028 3.028 7.411 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.546 0.825 6.382 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.694 1.593 4.814 1.00 15.00 H new ATOM 0 HE ARG A 266 13.525 3.027 6.122 1.00 15.00 H new ATOM 0 HH11 ARG A 266 12.807 -0.418 6.448 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.479 -0.847 6.823 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.666 2.470 6.586 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.096 0.786 6.901 1.00 15.00 H new ATOM 574 N ASP B 211 -3.549 -4.892 -7.514 1.00 15.00 N ATOM 575 CA ASP B 211 -4.560 -5.926 -7.720 1.00 15.00 C ATOM 576 C ASP B 211 -5.643 -5.966 -6.600 1.00 15.00 C ATOM 577 O ASP B 211 -6.671 -6.620 -6.786 1.00 15.00 O ATOM 578 CB ASP B 211 -3.901 -7.305 -7.811 1.00 15.00 C ATOM 579 CG ASP B 211 -3.385 -7.792 -6.470 1.00 15.00 C ATOM 580 OD1 ASP B 211 -2.361 -7.258 -5.995 1.00 15.00 O ATOM 581 OD2 ASP B 211 -3.992 -8.724 -5.891 1.00 15.00 O1- ATOM 0 HA ASP B 211 -5.059 -5.671 -8.655 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -4.622 -8.023 -8.202 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.075 -7.263 -8.521 1.00 15.00 H new ATOM 586 N PRO B 212 -5.449 -5.313 -5.415 1.00 15.00 N ATOM 587 CA PRO B 212 -6.323 -5.470 -4.266 1.00 15.00 C ATOM 588 C PRO B 212 -7.401 -4.396 -4.218 1.00 15.00 C ATOM 589 O PRO B 212 -7.271 -3.341 -4.832 1.00 15.00 O ATOM 590 CB PRO B 212 -5.352 -5.288 -3.106 1.00 15.00 C ATOM 591 CG PRO B 212 -4.366 -4.330 -3.579 1.00 15.00 C ATOM 592 CD PRO B 212 -4.424 -4.312 -5.078 1.00 15.00 C ATOM 0 HA PRO B 212 -6.862 -6.417 -4.268 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.865 -4.919 -2.218 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.883 -6.233 -2.833 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.574 -3.338 -3.177 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.369 -4.609 -3.239 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.693 -3.325 -5.454 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.459 -4.568 -5.516 1.00 15.00 H new ATOM 600 N GLY B 213 -8.460 -4.650 -3.479 1.00 15.00 N ATOM 601 CA GLY B 213 -9.453 -3.622 -3.293 1.00 15.00 C ATOM 602 C GLY B 213 -9.109 -2.781 -2.082 1.00 15.00 C ATOM 603 O GLY B 213 -8.342 -3.216 -1.222 1.00 15.00 O ATOM 0 H GLY B 213 -8.650 -5.535 -3.010 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.506 -2.991 -4.181 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.436 -4.074 -3.164 1.00 15.00 H new ATOM 621 N PRO B 215 -9.650 -0.793 1.439 1.00 15.00 N ATOM 622 CA PRO B 215 -10.341 -1.137 2.678 1.00 15.00 C ATOM 623 C PRO B 215 -11.078 0.051 3.295 1.00 15.00 C ATOM 624 O PRO B 215 -10.699 1.206 3.118 1.00 15.00 O ATOM 625 CB PRO B 215 -9.171 -1.570 3.600 1.00 15.00 C ATOM 626 CG PRO B 215 -7.936 -1.493 2.757 1.00 15.00 C ATOM 627 CD PRO B 215 -8.248 -0.489 1.693 1.00 15.00 C ATOM 0 HA PRO B 215 -11.110 -1.894 2.524 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.094 -0.914 4.467 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.324 -2.581 3.977 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.074 -1.184 3.349 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.694 -2.463 2.324 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.102 0.536 2.035 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.629 -0.620 0.806 1.00 15.00 H new ATOM 635 N PHE B 216 -12.158 -0.247 3.996 1.00 15.00 N ATOM 636 CA PHE B 216 -12.909 0.762 4.725 1.00 15.00 C ATOM 637 C PHE B 216 -12.694 0.570 6.220 1.00 15.00 C ATOM 638 O PHE B 216 -13.275 1.269 7.050 1.00 15.00 O ATOM 639 CB PHE B 216 -14.404 0.661 4.392 1.00 15.00 C ATOM 640 CG PHE B 216 -14.740 0.950 2.953 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.470 0.019 1.960 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.338 2.146 2.595 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.790 0.279 0.643 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.658 2.411 1.277 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.383 1.476 0.301 1.00 15.00 C ATOM 0 H PHE B 216 -12.538 -1.190 4.076 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.556 1.751 4.431 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.752 -0.342 4.640 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -14.953 1.355 5.028 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.004 -0.920 2.221 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.557 2.881 3.355 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.576 -0.455 -0.120 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -16.123 3.349 1.012 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.632 1.681 -0.730 1.00 15.00 H new