USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 615 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 Single : A 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 THR OG1 : rot -136:sc= 0.0295 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -20:sc= -2.04! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -5.04! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.239 K(o=0.24,f=-7.4!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -15:sc= -1.09 USER MOD Single : A 264 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 265 CYS SG : rot -125:sc= -1.42 USER MOD Single : A 266 GLN : amide:sc= -3.04! C(o=-3!,f=-3.2!) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc= -0.802 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.16! C(o=-4.9!,f=-4.2!) USER MOD Single : A 277 LYS NZ :NH3+ 151:sc= -0.0753 (180deg=-0.114) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 13.120 9.954 -0.866 1.00 0.00 N ATOM 2 CA ARG A 210 12.053 10.271 0.077 1.00 0.00 C ATOM 3 C ARG A 210 10.784 9.493 -0.256 1.00 0.00 C ATOM 4 O ARG A 210 10.646 8.952 -1.354 1.00 0.00 O ATOM 5 CB ARG A 210 11.763 11.773 0.064 1.00 0.00 C ATOM 6 CG ARG A 210 10.826 12.221 1.174 1.00 0.00 C ATOM 7 CD ARG A 210 10.867 13.730 1.363 1.00 0.00 C ATOM 8 NE ARG A 210 10.789 14.106 2.773 1.00 0.00 N ATOM 9 CZ ARG A 210 10.448 15.320 3.199 1.00 0.00 C ATOM 10 NH1 ARG A 210 10.153 16.278 2.328 1.00 0.00 N ATOM 11 NH2 ARG A 210 10.402 15.577 4.499 1.00 0.00 N ATOM 0 HA ARG A 210 12.384 9.980 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 210 12.703 12.317 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 210 11.328 12.042 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 210 9.808 11.910 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 210 11.103 11.729 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 210 11.787 14.125 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 210 10.040 14.186 0.819 1.00 0.00 H new ATOM 0 HE ARG A 210 11.009 13.396 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 210 10.187 16.085 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 210 9.892 17.207 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 210 10.628 14.845 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 210 10.141 16.507 4.826 1.00 0.00 H new ATOM 24 N GLU A 211 9.859 9.442 0.697 1.00 0.00 N ATOM 25 CA GLU A 211 8.600 8.732 0.505 1.00 0.00 C ATOM 26 C GLU A 211 8.845 7.243 0.279 1.00 0.00 C ATOM 27 O GLU A 211 9.976 6.767 0.384 1.00 0.00 O ATOM 28 CB GLU A 211 7.832 9.321 -0.680 1.00 0.00 C ATOM 29 CG GLU A 211 6.741 10.298 -0.270 1.00 0.00 C ATOM 30 CD GLU A 211 7.290 11.522 0.438 1.00 0.00 C ATOM 31 OE1 GLU A 211 7.569 11.429 1.652 1.00 0.00 O ATOM 32 OE2 GLU A 211 7.438 12.572 -0.221 1.00 0.00 O ATOM 0 H GLU A 211 9.958 9.884 1.611 1.00 0.00 H new ATOM 0 HA GLU A 211 8.003 8.851 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 211 8.534 9.829 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 211 7.385 8.509 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 211 6.188 10.612 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 211 6.032 9.791 0.385 1.00 0.00 H new ATOM 39 N LEU A 212 7.780 6.512 -0.030 1.00 0.00 N ATOM 40 CA LEU A 212 7.879 5.078 -0.270 1.00 0.00 C ATOM 41 C LEU A 212 7.408 4.726 -1.678 1.00 0.00 C ATOM 42 O LEU A 212 6.491 5.350 -2.211 1.00 0.00 O ATOM 43 CB LEU A 212 7.055 4.308 0.764 1.00 0.00 C ATOM 44 CG LEU A 212 7.726 4.130 2.125 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.723 3.638 3.157 1.00 0.00 C ATOM 46 CD2 LEU A 212 8.900 3.168 2.018 1.00 0.00 C ATOM 0 H LEU A 212 6.837 6.890 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 212 8.927 4.792 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.107 4.826 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 212 6.822 3.323 0.360 1.00 0.00 H new ATOM 0 HG LEU A 212 8.104 5.099 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.221 3.518 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 212 5.915 4.364 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.313 2.680 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.366 3.053 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.545 2.198 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.631 3.563 1.312 1.00 0.00 H new ATOM 58 N LYS A 213 8.040 3.720 -2.272 1.00 0.00 N ATOM 59 CA LYS A 213 7.687 3.282 -3.618 1.00 0.00 C ATOM 60 C LYS A 213 6.859 2.003 -3.571 1.00 0.00 C ATOM 61 O LYS A 213 7.121 1.112 -2.761 1.00 0.00 O ATOM 62 CB LYS A 213 8.948 3.058 -4.453 1.00 0.00 C ATOM 63 CG LYS A 213 9.929 4.218 -4.398 1.00 0.00 C ATOM 64 CD LYS A 213 11.022 3.975 -3.371 1.00 0.00 C ATOM 65 CE LYS A 213 12.296 3.464 -4.023 1.00 0.00 C ATOM 66 NZ LYS A 213 13.213 4.576 -4.397 1.00 0.00 N ATOM 0 H LYS A 213 8.800 3.192 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 213 7.089 4.065 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.448 2.154 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.661 2.885 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.378 4.363 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.395 5.136 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 213 11.232 4.901 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 213 10.675 3.252 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 213 12.807 2.786 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 213 12.043 2.888 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 14.070 4.186 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.735 5.209 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 13.476 5.111 -3.545 1.00 0.00 H new ATOM 80 N ILE A 214 5.859 1.916 -4.442 1.00 0.00 N ATOM 81 CA ILE A 214 4.995 0.744 -4.498 1.00 0.00 C ATOM 82 C ILE A 214 5.792 -0.506 -4.855 1.00 0.00 C ATOM 83 O ILE A 214 6.790 -0.436 -5.573 1.00 0.00 O ATOM 84 CB ILE A 214 3.858 0.933 -5.521 1.00 0.00 C ATOM 85 CG1 ILE A 214 3.092 2.225 -5.228 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.918 -0.265 -5.499 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.948 2.481 -6.185 1.00 0.00 C ATOM 0 H ILE A 214 5.627 2.643 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 214 4.559 0.620 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 214 4.293 1.007 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.702 2.184 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.785 3.066 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.121 -0.115 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.474 -1.168 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.486 -0.370 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.451 3.413 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.334 2.555 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.234 1.659 -6.127 1.00 0.00 H new ATOM 99 N GLY A 215 5.346 -1.649 -4.345 1.00 0.00 N ATOM 100 CA GLY A 215 6.030 -2.900 -4.617 1.00 0.00 C ATOM 101 C GLY A 215 7.263 -3.094 -3.752 1.00 0.00 C ATOM 102 O GLY A 215 7.973 -4.091 -3.889 1.00 0.00 O ATOM 0 H GLY A 215 4.523 -1.732 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.342 -3.729 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.320 -2.930 -5.667 1.00 0.00 H new ATOM 106 N ASP A 216 7.524 -2.140 -2.861 1.00 0.00 N ATOM 107 CA ASP A 216 8.680 -2.216 -1.978 1.00 0.00 C ATOM 108 C ASP A 216 8.308 -2.844 -0.640 1.00 0.00 C ATOM 109 O ASP A 216 7.208 -2.635 -0.128 1.00 0.00 O ATOM 110 CB ASP A 216 9.268 -0.821 -1.754 1.00 0.00 C ATOM 111 CG ASP A 216 9.967 -0.284 -2.987 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.464 -0.519 -4.106 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.019 0.373 -2.833 1.00 0.00 O ATOM 0 H ASP A 216 6.950 -1.307 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 216 9.428 -2.848 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.471 -0.136 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.975 -0.856 -0.925 1.00 0.00 H new ATOM 118 N ARG A 217 9.237 -3.612 -0.076 1.00 0.00 N ATOM 119 CA ARG A 217 9.010 -4.267 1.207 1.00 0.00 C ATOM 120 C ARG A 217 9.142 -3.265 2.348 1.00 0.00 C ATOM 121 O ARG A 217 10.086 -2.476 2.388 1.00 0.00 O ATOM 122 CB ARG A 217 10.001 -5.414 1.401 1.00 0.00 C ATOM 123 CG ARG A 217 9.399 -6.633 2.084 1.00 0.00 C ATOM 124 CD ARG A 217 9.066 -7.726 1.080 1.00 0.00 C ATOM 125 NE ARG A 217 10.266 -8.264 0.442 1.00 0.00 N ATOM 126 CZ ARG A 217 10.309 -9.435 -0.189 1.00 0.00 C ATOM 127 NH1 ARG A 217 9.221 -10.193 -0.271 1.00 0.00 N ATOM 128 NH2 ARG A 217 11.440 -9.850 -0.739 1.00 0.00 N ATOM 0 H ARG A 217 10.152 -3.795 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 217 7.998 -4.671 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.395 -5.711 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.845 -5.057 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.099 -7.019 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.496 -6.342 2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 217 8.531 -8.531 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 217 8.397 -7.327 0.317 1.00 0.00 H new ATOM 0 HE ARG A 217 11.121 -7.709 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 217 8.347 -9.878 0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 217 9.259 -11.090 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 217 12.278 -9.272 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 217 11.473 -10.748 -1.223 1.00 0.00 H new ATOM 142 N VAL A 218 8.184 -3.294 3.267 1.00 0.00 N ATOM 143 CA VAL A 218 8.194 -2.379 4.399 1.00 0.00 C ATOM 144 C VAL A 218 7.451 -2.962 5.595 1.00 0.00 C ATOM 145 O VAL A 218 6.963 -4.091 5.548 1.00 0.00 O ATOM 146 CB VAL A 218 7.544 -1.031 4.027 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.153 -0.477 2.747 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.034 -1.182 3.883 1.00 0.00 C ATOM 0 H VAL A 218 7.394 -3.939 3.250 1.00 0.00 H new ATOM 0 HA VAL A 218 9.239 -2.223 4.666 1.00 0.00 H new ATOM 0 HB VAL A 218 7.740 -0.324 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.681 0.474 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.223 -0.325 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.992 -1.183 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.595 -0.219 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.814 -1.907 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.611 -1.528 4.826 1.00 0.00 H new ATOM 158 N LEU A 219 7.354 -2.170 6.655 1.00 0.00 N ATOM 159 CA LEU A 219 6.651 -2.585 7.859 1.00 0.00 C ATOM 160 C LEU A 219 5.566 -1.579 8.206 1.00 0.00 C ATOM 161 O LEU A 219 5.847 -0.403 8.420 1.00 0.00 O ATOM 162 CB LEU A 219 7.614 -2.714 9.039 1.00 0.00 C ATOM 163 CG LEU A 219 8.747 -3.726 8.862 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.495 -3.908 10.174 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.205 -5.057 8.364 1.00 0.00 C ATOM 0 H LEU A 219 7.755 -1.234 6.704 1.00 0.00 H new ATOM 0 HA LEU A 219 6.201 -3.558 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.053 -1.736 9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 219 7.040 -2.989 9.924 1.00 0.00 H new ATOM 0 HG LEU A 219 9.442 -3.344 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.300 -4.631 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.915 -2.953 10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.807 -4.271 10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 219 9.027 -5.763 8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.490 -5.452 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.709 -4.912 7.404 1.00 0.00 H new ATOM 177 N VAL A 220 4.328 -2.046 8.271 1.00 0.00 N ATOM 178 CA VAL A 220 3.210 -1.173 8.607 1.00 0.00 C ATOM 179 C VAL A 220 3.020 -1.122 10.118 1.00 0.00 C ATOM 180 O VAL A 220 2.646 -2.115 10.744 1.00 0.00 O ATOM 181 CB VAL A 220 1.886 -1.614 7.929 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.292 -0.469 7.123 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.096 -2.838 7.047 1.00 0.00 C ATOM 0 H VAL A 220 4.072 -3.018 8.097 1.00 0.00 H new ATOM 0 HA VAL A 220 3.456 -0.181 8.229 1.00 0.00 H new ATOM 0 HB VAL A 220 1.183 -1.887 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.364 -0.797 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.087 0.373 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.999 -0.162 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.150 -3.121 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.823 -2.605 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.466 -3.664 7.654 1.00 0.00 H new ATOM 193 N GLY A 221 3.299 0.040 10.700 1.00 0.00 N ATOM 194 CA GLY A 221 3.169 0.203 12.135 1.00 0.00 C ATOM 195 C GLY A 221 4.426 -0.211 12.884 1.00 0.00 C ATOM 196 O GLY A 221 4.521 -0.022 14.096 1.00 0.00 O ATOM 0 H GLY A 221 3.613 0.873 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.942 1.245 12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.326 -0.390 12.490 1.00 0.00 H new ATOM 200 N GLY A 222 5.392 -0.778 12.161 1.00 0.00 N ATOM 201 CA GLY A 222 6.632 -1.210 12.782 1.00 0.00 C ATOM 202 C GLY A 222 6.579 -2.648 13.262 1.00 0.00 C ATOM 203 O GLY A 222 7.609 -3.316 13.352 1.00 0.00 O ATOM 0 H GLY A 222 5.336 -0.945 11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.448 -1.100 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.857 -0.558 13.626 1.00 0.00 H new ATOM 207 N THR A 223 5.378 -3.123 13.571 1.00 0.00 N ATOM 208 CA THR A 223 5.196 -4.488 14.045 1.00 0.00 C ATOM 209 C THR A 223 4.729 -5.397 12.915 1.00 0.00 C ATOM 210 O THR A 223 4.983 -6.602 12.929 1.00 0.00 O ATOM 211 CB THR A 223 4.181 -4.514 15.187 1.00 0.00 C ATOM 212 OG1 THR A 223 2.988 -3.851 14.814 1.00 0.00 O ATOM 213 CG2 THR A 223 4.693 -3.862 16.451 1.00 0.00 C ATOM 0 H THR A 223 4.516 -2.582 13.501 1.00 0.00 H new ATOM 0 HA THR A 223 6.156 -4.855 14.408 1.00 0.00 H new ATOM 0 HB THR A 223 3.997 -5.569 15.388 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.692 -3.273 15.548 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.926 -3.913 17.223 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.587 -4.383 16.793 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.936 -2.819 16.250 1.00 0.00 H new ATOM 221 N LYS A 224 4.043 -4.813 11.939 1.00 0.00 N ATOM 222 CA LYS A 224 3.540 -5.571 10.803 1.00 0.00 C ATOM 223 C LYS A 224 4.454 -5.402 9.594 1.00 0.00 C ATOM 224 O LYS A 224 5.048 -4.342 9.401 1.00 0.00 O ATOM 225 CB LYS A 224 2.118 -5.119 10.452 1.00 0.00 C ATOM 226 CG LYS A 224 1.247 -4.828 11.665 1.00 0.00 C ATOM 227 CD LYS A 224 0.637 -6.099 12.235 1.00 0.00 C ATOM 228 CE LYS A 224 1.636 -6.864 13.090 1.00 0.00 C ATOM 229 NZ LYS A 224 1.002 -7.426 14.314 1.00 0.00 N ATOM 0 H LYS A 224 3.823 -3.817 11.913 1.00 0.00 H new ATOM 0 HA LYS A 224 3.520 -6.626 11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.174 -4.223 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.640 -5.892 9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.844 -4.335 12.432 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.452 -4.136 11.385 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.238 -5.847 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.292 -6.735 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 224 2.072 -7.672 12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.452 -6.201 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.715 -7.940 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.608 -6.653 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.239 -8.079 14.042 1.00 0.00 H new ATOM 243 N ALA A 225 4.567 -6.450 8.786 1.00 0.00 N ATOM 244 CA ALA A 225 5.412 -6.410 7.598 1.00 0.00 C ATOM 245 C ALA A 225 4.593 -6.646 6.338 1.00 0.00 C ATOM 246 O ALA A 225 3.656 -7.442 6.337 1.00 0.00 O ATOM 247 CB ALA A 225 6.525 -7.439 7.697 1.00 0.00 C ATOM 0 H ALA A 225 4.085 -7.337 8.931 1.00 0.00 H new ATOM 0 HA ALA A 225 5.857 -5.417 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.144 -7.393 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.138 -7.228 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 225 6.092 -8.435 7.788 1.00 0.00 H new ATOM 253 N GLY A 226 4.955 -5.952 5.266 1.00 0.00 N ATOM 254 CA GLY A 226 4.241 -6.103 4.015 1.00 0.00 C ATOM 255 C GLY A 226 4.892 -5.350 2.874 1.00 0.00 C ATOM 256 O GLY A 226 6.035 -4.905 2.983 1.00 0.00 O ATOM 0 H GLY A 226 5.729 -5.288 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.183 -7.161 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.218 -5.749 4.141 1.00 0.00 H new ATOM 260 N VAL A 227 4.161 -5.211 1.773 1.00 0.00 N ATOM 261 CA VAL A 227 4.665 -4.510 0.600 1.00 0.00 C ATOM 262 C VAL A 227 3.758 -3.338 0.236 1.00 0.00 C ATOM 263 O VAL A 227 2.536 -3.473 0.206 1.00 0.00 O ATOM 264 CB VAL A 227 4.778 -5.460 -0.611 1.00 0.00 C ATOM 265 CG1 VAL A 227 5.104 -4.689 -1.882 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.824 -6.534 -0.347 1.00 0.00 C ATOM 0 H VAL A 227 3.214 -5.576 1.670 1.00 0.00 H new ATOM 0 HA VAL A 227 5.657 -4.134 0.849 1.00 0.00 H new ATOM 0 HB VAL A 227 3.813 -5.946 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.178 -5.383 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.315 -3.964 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 227 6.053 -4.168 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.892 -7.196 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.792 -6.064 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.538 -7.112 0.532 1.00 0.00 H new ATOM 276 N VAL A 228 4.363 -2.192 -0.051 1.00 0.00 N ATOM 277 CA VAL A 228 3.604 -1.005 -0.422 1.00 0.00 C ATOM 278 C VAL A 228 2.807 -1.258 -1.695 1.00 0.00 C ATOM 279 O VAL A 228 3.334 -1.785 -2.674 1.00 0.00 O ATOM 280 CB VAL A 228 4.527 0.209 -0.629 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.709 1.467 -0.880 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.444 0.389 0.572 1.00 0.00 C ATOM 0 H VAL A 228 5.374 -2.060 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 228 2.920 -0.785 0.398 1.00 0.00 H new ATOM 0 HB VAL A 228 5.146 0.028 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.379 2.314 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.098 1.332 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.062 1.657 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.090 1.252 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.844 0.549 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.056 -0.504 0.700 1.00 0.00 H new ATOM 292 N ARG A 229 1.529 -0.891 -1.676 1.00 0.00 N ATOM 293 CA ARG A 229 0.663 -1.096 -2.830 1.00 0.00 C ATOM 294 C ARG A 229 0.091 0.226 -3.337 1.00 0.00 C ATOM 295 O ARG A 229 0.078 0.485 -4.540 1.00 0.00 O ATOM 296 CB ARG A 229 -0.472 -2.057 -2.469 1.00 0.00 C ATOM 297 CG ARG A 229 -0.017 -3.250 -1.643 1.00 0.00 C ATOM 298 CD ARG A 229 1.052 -4.052 -2.364 1.00 0.00 C ATOM 299 NE ARG A 229 0.484 -5.164 -3.121 1.00 0.00 N ATOM 300 CZ ARG A 229 0.062 -5.070 -4.381 1.00 0.00 C ATOM 301 NH1 ARG A 229 0.135 -3.916 -5.032 1.00 0.00 N ATOM 302 NH2 ARG A 229 -0.438 -6.136 -4.992 1.00 0.00 N ATOM 0 H ARG A 229 1.072 -0.452 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 229 1.263 -1.531 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.236 -1.512 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -0.938 -2.417 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.371 -2.904 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.871 -3.892 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.603 -3.397 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.769 -4.436 -1.638 1.00 0.00 H new ATOM 0 HE ARG A 229 0.406 -6.069 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 229 0.517 -3.092 -4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 229 -0.190 -3.853 -5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -0.499 -7.026 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -0.762 -6.066 -5.957 1.00 0.00 H new ATOM 316 N PHE A 230 -0.379 1.057 -2.414 1.00 0.00 N ATOM 317 CA PHE A 230 -0.950 2.352 -2.772 1.00 0.00 C ATOM 318 C PHE A 230 -0.676 3.381 -1.683 1.00 0.00 C ATOM 319 O PHE A 230 -0.828 3.094 -0.499 1.00 0.00 O ATOM 320 CB PHE A 230 -2.456 2.222 -3.002 1.00 0.00 C ATOM 321 CG PHE A 230 -3.047 3.361 -3.785 1.00 0.00 C ATOM 322 CD1 PHE A 230 -3.077 3.324 -5.170 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.569 4.467 -3.136 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.618 4.371 -5.892 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.113 5.517 -3.853 1.00 0.00 C ATOM 326 CZ PHE A 230 -4.137 5.468 -5.233 1.00 0.00 C ATOM 0 H PHE A 230 -0.377 0.859 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.478 2.690 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.655 1.289 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.958 2.157 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.673 2.468 -5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.551 4.510 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.635 4.331 -6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.518 6.374 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.561 6.286 -5.796 1.00 0.00 H new ATOM 336 N LEU A 231 -0.273 4.581 -2.085 1.00 0.00 N ATOM 337 CA LEU A 231 0.018 5.644 -1.127 1.00 0.00 C ATOM 338 C LEU A 231 -0.851 6.870 -1.388 1.00 0.00 C ATOM 339 O LEU A 231 -0.991 7.316 -2.527 1.00 0.00 O ATOM 340 CB LEU A 231 1.498 6.027 -1.191 1.00 0.00 C ATOM 341 CG LEU A 231 2.467 4.848 -1.316 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.054 4.784 -2.718 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.577 4.952 -0.279 1.00 0.00 C ATOM 0 H LEU A 231 -0.141 4.843 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.210 5.269 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.649 6.693 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.751 6.592 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 231 1.911 3.929 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.740 3.940 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.250 4.659 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.593 5.708 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.254 4.105 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.130 5.879 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.143 4.946 0.721 1.00 0.00 H new ATOM 355 N GLY A 232 -1.432 7.409 -0.321 1.00 0.00 N ATOM 356 CA GLY A 232 -2.280 8.579 -0.447 1.00 0.00 C ATOM 357 C GLY A 232 -3.164 8.784 0.766 1.00 0.00 C ATOM 358 O GLY A 232 -3.044 8.065 1.759 1.00 0.00 O ATOM 0 H GLY A 232 -1.330 7.055 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.657 9.462 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.904 8.478 -1.335 1.00 0.00 H new ATOM 362 N GLU A 233 -4.056 9.768 0.689 1.00 0.00 N ATOM 363 CA GLU A 233 -4.962 10.063 1.793 1.00 0.00 C ATOM 364 C GLU A 233 -6.135 9.090 1.803 1.00 0.00 C ATOM 365 O GLU A 233 -6.454 8.473 0.787 1.00 0.00 O ATOM 366 CB GLU A 233 -5.478 11.499 1.686 1.00 0.00 C ATOM 367 CG GLU A 233 -4.379 12.524 1.459 1.00 0.00 C ATOM 368 CD GLU A 233 -4.913 13.850 0.953 1.00 0.00 C ATOM 369 OE1 GLU A 233 -5.041 14.007 -0.279 1.00 0.00 O ATOM 370 OE2 GLU A 233 -5.205 14.730 1.789 1.00 0.00 O ATOM 0 H GLU A 233 -4.170 10.373 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.410 9.951 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.194 11.559 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.017 11.752 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -3.840 12.686 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.661 12.128 0.741 1.00 0.00 H new ATOM 377 N THR A 234 -6.776 8.954 2.961 1.00 0.00 N ATOM 378 CA THR A 234 -7.913 8.055 3.103 1.00 0.00 C ATOM 379 C THR A 234 -9.221 8.836 3.184 1.00 0.00 C ATOM 380 O THR A 234 -9.218 10.049 3.392 1.00 0.00 O ATOM 381 CB THR A 234 -7.750 7.184 4.351 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.867 7.966 5.525 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.421 6.464 4.408 1.00 0.00 C ATOM 0 H THR A 234 -6.526 9.456 3.813 1.00 0.00 H new ATOM 0 HA THR A 234 -7.947 7.415 2.222 1.00 0.00 H new ATOM 0 HB THR A 234 -8.544 6.440 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.714 8.909 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.371 5.865 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.322 5.814 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.612 7.194 4.409 1.00 0.00 H new ATOM 391 N ASP A 235 -10.334 8.133 3.017 1.00 0.00 N ATOM 392 CA ASP A 235 -11.650 8.760 3.070 1.00 0.00 C ATOM 393 C ASP A 235 -12.215 8.751 4.491 1.00 0.00 C ATOM 394 O ASP A 235 -13.295 9.287 4.737 1.00 0.00 O ATOM 395 CB ASP A 235 -12.615 8.045 2.123 1.00 0.00 C ATOM 396 CG ASP A 235 -13.809 8.905 1.760 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.623 9.903 1.032 1.00 0.00 O ATOM 398 OD2 ASP A 235 -14.933 8.580 2.200 1.00 0.00 O ATOM 0 H ASP A 235 -10.352 7.128 2.844 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.537 9.798 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.085 7.761 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -12.963 7.123 2.590 1.00 0.00 H new ATOM 403 N PHE A 236 -11.484 8.143 5.424 1.00 0.00 N ATOM 404 CA PHE A 236 -11.929 8.075 6.812 1.00 0.00 C ATOM 405 C PHE A 236 -10.907 8.709 7.758 1.00 0.00 C ATOM 406 O PHE A 236 -11.226 9.030 8.902 1.00 0.00 O ATOM 407 CB PHE A 236 -12.192 6.619 7.220 1.00 0.00 C ATOM 408 CG PHE A 236 -10.952 5.850 7.593 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.936 5.650 6.674 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.808 5.328 8.869 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.798 4.945 7.020 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.672 4.621 9.220 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.665 4.431 8.293 1.00 0.00 C ATOM 0 H PHE A 236 -10.586 7.693 5.244 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.858 8.640 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.881 6.609 8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.690 6.107 6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.033 6.049 5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.592 5.475 9.597 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.013 4.797 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.572 4.218 10.217 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.776 3.881 8.565 1.00 0.00 H new ATOM 423 N ALA A 237 -9.677 8.885 7.278 1.00 0.00 N ATOM 424 CA ALA A 237 -8.621 9.478 8.089 1.00 0.00 C ATOM 425 C ALA A 237 -8.076 10.747 7.443 1.00 0.00 C ATOM 426 O ALA A 237 -7.935 10.824 6.222 1.00 0.00 O ATOM 427 CB ALA A 237 -7.499 8.474 8.309 1.00 0.00 C ATOM 0 H ALA A 237 -9.390 8.626 6.334 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.049 9.749 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.717 8.930 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.892 7.596 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.084 8.176 7.346 1.00 0.00 H new ATOM 433 N LYS A 238 -7.770 11.742 8.271 1.00 0.00 N ATOM 434 CA LYS A 238 -7.239 13.008 7.780 1.00 0.00 C ATOM 435 C LYS A 238 -5.716 12.961 7.697 1.00 0.00 C ATOM 436 O LYS A 238 -5.044 12.550 8.642 1.00 0.00 O ATOM 437 CB LYS A 238 -7.675 14.156 8.692 1.00 0.00 C ATOM 438 CG LYS A 238 -9.174 14.204 8.936 1.00 0.00 C ATOM 439 CD LYS A 238 -9.604 15.548 9.500 1.00 0.00 C ATOM 440 CE LYS A 238 -11.099 15.588 9.769 1.00 0.00 C ATOM 441 NZ LYS A 238 -11.589 16.979 9.977 1.00 0.00 N ATOM 0 H LYS A 238 -7.881 11.695 9.284 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.636 13.177 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.162 14.063 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -7.357 15.100 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -9.702 14.015 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -9.457 13.411 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -9.062 15.746 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -9.338 16.339 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -11.631 15.137 8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -11.325 14.988 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -12.613 16.963 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -11.100 17.401 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -11.396 17.546 9.127 1.00 0.00 H new ATOM 455 N GLY A 239 -5.178 13.388 6.558 1.00 0.00 N ATOM 456 CA GLY A 239 -3.738 13.387 6.372 1.00 0.00 C ATOM 457 C GLY A 239 -3.292 12.421 5.293 1.00 0.00 C ATOM 458 O GLY A 239 -4.104 11.947 4.497 1.00 0.00 O ATOM 0 H GLY A 239 -5.713 13.734 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.408 14.393 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.254 13.125 7.313 1.00 0.00 H new ATOM 462 N GLU A 240 -1.994 12.127 5.264 1.00 0.00 N ATOM 463 CA GLU A 240 -1.440 11.211 4.274 1.00 0.00 C ATOM 464 C GLU A 240 -1.305 9.805 4.850 1.00 0.00 C ATOM 465 O GLU A 240 -0.819 9.624 5.967 1.00 0.00 O ATOM 466 CB GLU A 240 -0.077 11.710 3.795 1.00 0.00 C ATOM 467 CG GLU A 240 0.875 12.064 4.925 1.00 0.00 C ATOM 468 CD GLU A 240 2.299 12.263 4.448 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.483 12.737 3.306 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.233 11.943 5.214 1.00 0.00 O ATOM 0 H GLU A 240 -1.308 12.510 5.915 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.125 11.173 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.382 10.943 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.222 12.588 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.529 12.975 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.854 11.272 5.674 1.00 0.00 H new ATOM 477 N TRP A 241 -1.738 8.811 4.080 1.00 0.00 N ATOM 478 CA TRP A 241 -1.667 7.421 4.514 1.00 0.00 C ATOM 479 C TRP A 241 -1.034 6.546 3.436 1.00 0.00 C ATOM 480 O TRP A 241 -0.870 6.975 2.294 1.00 0.00 O ATOM 481 CB TRP A 241 -3.062 6.901 4.860 1.00 0.00 C ATOM 482 CG TRP A 241 -3.649 7.554 6.074 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.133 8.828 6.164 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.812 6.968 7.370 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.585 9.069 7.438 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.400 7.943 8.198 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.518 5.713 7.912 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.699 7.701 9.536 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.816 5.476 9.240 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.402 6.464 10.040 1.00 0.00 C ATOM 0 H TRP A 241 -2.142 8.943 3.153 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.041 7.375 5.405 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.725 7.065 4.011 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.012 5.824 5.022 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.157 9.541 5.353 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.993 9.945 7.766 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.066 4.943 7.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.150 8.463 10.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.593 4.510 9.669 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.624 6.246 11.074 1.00 0.00 H new ATOM 501 N CYS A 242 -0.680 5.320 3.805 1.00 0.00 N ATOM 502 CA CYS A 242 -0.063 4.388 2.867 1.00 0.00 C ATOM 503 C CYS A 242 -0.682 2.998 2.988 1.00 0.00 C ATOM 504 O CYS A 242 -1.234 2.638 4.027 1.00 0.00 O ATOM 505 CB CYS A 242 1.447 4.314 3.107 1.00 0.00 C ATOM 506 SG CYS A 242 2.314 3.150 2.029 1.00 0.00 S ATOM 0 H CYS A 242 -0.809 4.948 4.746 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.245 4.756 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.874 5.307 2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.625 4.032 4.145 1.00 0.00 H new ATOM 0 HG CYS A 242 3.584 3.163 2.309 1.00 0.00 H new ATOM 512 N GLY A 243 -0.583 2.227 1.912 1.00 0.00 N ATOM 513 CA GLY A 243 -1.130 0.884 1.896 1.00 0.00 C ATOM 514 C GLY A 243 -0.055 -0.169 1.734 1.00 0.00 C ATOM 515 O GLY A 243 0.746 -0.110 0.801 1.00 0.00 O ATOM 0 H GLY A 243 -0.130 2.511 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.675 0.705 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.848 0.796 1.081 1.00 0.00 H new ATOM 519 N VAL A 244 -0.030 -1.133 2.647 1.00 0.00 N ATOM 520 CA VAL A 244 0.963 -2.200 2.601 1.00 0.00 C ATOM 521 C VAL A 244 0.305 -3.573 2.699 1.00 0.00 C ATOM 522 O VAL A 244 -0.532 -3.808 3.570 1.00 0.00 O ATOM 523 CB VAL A 244 1.992 -2.060 3.744 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.219 -2.912 3.472 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.383 -0.603 3.950 1.00 0.00 C ATOM 0 H VAL A 244 -0.684 -1.198 3.427 1.00 0.00 H new ATOM 0 HA VAL A 244 1.474 -2.111 1.642 1.00 0.00 H new ATOM 0 HB VAL A 244 1.525 -2.417 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.930 -2.798 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.925 -3.958 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.684 -2.593 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.108 -0.532 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.824 -0.211 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.497 -0.021 4.204 1.00 0.00 H new ATOM 535 N GLU A 245 0.703 -4.479 1.814 1.00 0.00 N ATOM 536 CA GLU A 245 0.166 -5.832 1.810 1.00 0.00 C ATOM 537 C GLU A 245 0.933 -6.695 2.803 1.00 0.00 C ATOM 538 O GLU A 245 2.113 -6.981 2.607 1.00 0.00 O ATOM 539 CB GLU A 245 0.252 -6.440 0.408 1.00 0.00 C ATOM 540 CG GLU A 245 -0.353 -7.830 0.310 1.00 0.00 C ATOM 541 CD GLU A 245 -0.457 -8.320 -1.122 1.00 0.00 C ATOM 542 OE1 GLU A 245 0.455 -8.019 -1.919 1.00 0.00 O ATOM 543 OE2 GLU A 245 -1.450 -9.006 -1.443 1.00 0.00 O ATOM 0 H GLU A 245 1.397 -4.299 1.089 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.883 -5.793 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.256 -5.781 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.298 -6.486 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.254 -8.528 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.345 -7.823 0.761 1.00 0.00 H new ATOM 550 N LEU A 246 0.263 -7.090 3.877 1.00 0.00 N ATOM 551 CA LEU A 246 0.892 -7.898 4.912 1.00 0.00 C ATOM 552 C LEU A 246 1.231 -9.294 4.402 1.00 0.00 C ATOM 553 O LEU A 246 0.553 -9.832 3.527 1.00 0.00 O ATOM 554 CB LEU A 246 -0.021 -7.993 6.135 1.00 0.00 C ATOM 555 CG LEU A 246 -0.428 -6.648 6.738 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.565 -6.826 7.731 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.768 -5.980 7.402 1.00 0.00 C ATOM 0 H LEU A 246 -0.716 -6.864 4.054 1.00 0.00 H new ATOM 0 HA LEU A 246 1.824 -7.409 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -0.923 -8.538 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.483 -8.582 6.902 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.780 -6.002 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.839 -5.857 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.427 -7.259 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.246 -7.490 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.462 -5.024 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.150 -6.623 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.550 -5.814 6.661 1.00 0.00 H new ATOM 569 N ASP A 247 2.291 -9.871 4.959 1.00 0.00 N ATOM 570 CA ASP A 247 2.739 -11.204 4.571 1.00 0.00 C ATOM 571 C ASP A 247 1.807 -12.281 5.119 1.00 0.00 C ATOM 572 O ASP A 247 1.697 -13.368 4.551 1.00 0.00 O ATOM 573 CB ASP A 247 4.166 -11.441 5.069 1.00 0.00 C ATOM 574 CG ASP A 247 5.206 -10.801 4.171 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.189 -11.073 2.952 1.00 0.00 O ATOM 576 OD2 ASP A 247 6.040 -10.027 4.687 1.00 0.00 O ATOM 0 H ASP A 247 2.859 -9.433 5.685 1.00 0.00 H new ATOM 0 HA ASP A 247 2.722 -11.265 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.267 -11.042 6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.353 -12.513 5.130 1.00 0.00 H new ATOM 581 N GLU A 248 1.137 -11.974 6.226 1.00 0.00 N ATOM 582 CA GLU A 248 0.215 -12.916 6.850 1.00 0.00 C ATOM 583 C GLU A 248 -1.069 -12.213 7.284 1.00 0.00 C ATOM 584 O GLU A 248 -1.153 -10.985 7.247 1.00 0.00 O ATOM 585 CB GLU A 248 0.877 -13.588 8.056 1.00 0.00 C ATOM 586 CG GLU A 248 1.533 -14.918 7.726 1.00 0.00 C ATOM 587 CD GLU A 248 1.268 -15.977 8.779 1.00 0.00 C ATOM 588 OE1 GLU A 248 1.216 -15.623 9.975 1.00 0.00 O ATOM 589 OE2 GLU A 248 1.112 -17.159 8.407 1.00 0.00 O ATOM 0 H GLU A 248 1.216 -11.079 6.709 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.040 -13.679 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.628 -12.915 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.127 -13.745 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 248 1.167 -15.270 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 248 2.609 -14.773 7.625 1.00 0.00 H new ATOM 596 N PRO A 249 -2.091 -12.983 7.700 1.00 0.00 N ATOM 597 CA PRO A 249 -3.374 -12.426 8.141 1.00 0.00 C ATOM 598 C PRO A 249 -3.230 -11.586 9.408 1.00 0.00 C ATOM 599 O PRO A 249 -3.705 -11.968 10.479 1.00 0.00 O ATOM 600 CB PRO A 249 -4.244 -13.664 8.413 1.00 0.00 C ATOM 601 CG PRO A 249 -3.537 -14.803 7.759 1.00 0.00 C ATOM 602 CD PRO A 249 -2.077 -14.451 7.772 1.00 0.00 C ATOM 0 HA PRO A 249 -3.800 -11.755 7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.357 -13.836 9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -5.246 -13.537 8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.718 -15.734 8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.893 -14.949 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.584 -14.806 8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -1.548 -14.892 6.927 1.00 0.00 H new ATOM 610 N LEU A 250 -2.571 -10.440 9.278 1.00 0.00 N ATOM 611 CA LEU A 250 -2.361 -9.544 10.411 1.00 0.00 C ATOM 612 C LEU A 250 -2.841 -8.132 10.094 1.00 0.00 C ATOM 613 O LEU A 250 -2.332 -7.156 10.644 1.00 0.00 O ATOM 614 CB LEU A 250 -0.880 -9.515 10.797 1.00 0.00 C ATOM 615 CG LEU A 250 0.101 -9.525 9.619 1.00 0.00 C ATOM 616 CD1 LEU A 250 1.055 -8.344 9.703 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.876 -10.834 9.581 1.00 0.00 C ATOM 0 H LEU A 250 -2.173 -10.109 8.399 1.00 0.00 H new ATOM 0 HA LEU A 250 -2.944 -9.924 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.694 -8.624 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.669 -10.376 11.432 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.473 -9.436 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.742 -8.371 8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.486 -7.414 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.621 -8.399 10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.567 -10.823 8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.436 -10.952 10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.180 -11.666 9.469 1.00 0.00 H new ATOM 629 N GLY A 251 -3.824 -8.028 9.204 1.00 0.00 N ATOM 630 CA GLY A 251 -4.352 -6.727 8.835 1.00 0.00 C ATOM 631 C GLY A 251 -5.744 -6.490 9.383 1.00 0.00 C ATOM 632 O GLY A 251 -6.188 -7.191 10.291 1.00 0.00 O ATOM 0 H GLY A 251 -4.263 -8.819 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.683 -5.949 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.373 -6.642 7.749 1.00 0.00 H new ATOM 636 N LYS A 252 -6.436 -5.495 8.833 1.00 0.00 N ATOM 637 CA LYS A 252 -7.786 -5.167 9.280 1.00 0.00 C ATOM 638 C LYS A 252 -8.777 -5.209 8.120 1.00 0.00 C ATOM 639 O LYS A 252 -9.905 -5.677 8.274 1.00 0.00 O ATOM 640 CB LYS A 252 -7.808 -3.782 9.932 1.00 0.00 C ATOM 641 CG LYS A 252 -6.620 -3.516 10.842 1.00 0.00 C ATOM 642 CD LYS A 252 -6.758 -4.248 12.168 1.00 0.00 C ATOM 643 CE LYS A 252 -5.403 -4.491 12.813 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.534 -5.096 14.168 1.00 0.00 N ATOM 0 H LYS A 252 -6.085 -4.904 8.079 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.086 -5.915 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.833 -3.023 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.727 -3.676 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.702 -3.831 10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.533 -2.445 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.384 -3.665 12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.262 -5.201 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -4.811 -5.149 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -4.862 -3.548 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.588 -5.246 14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.077 -4.457 14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.028 -6.008 14.095 1.00 0.00 H new ATOM 658 N ASN A 253 -8.353 -4.714 6.961 1.00 0.00 N ATOM 659 CA ASN A 253 -9.211 -4.694 5.781 1.00 0.00 C ATOM 660 C ASN A 253 -8.631 -5.557 4.664 1.00 0.00 C ATOM 661 O ASN A 253 -7.489 -6.008 4.742 1.00 0.00 O ATOM 662 CB ASN A 253 -9.400 -3.258 5.287 1.00 0.00 C ATOM 663 CG ASN A 253 -8.104 -2.632 4.811 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.868 -2.502 3.610 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.256 -2.240 5.754 1.00 0.00 N ATOM 0 H ASN A 253 -7.423 -4.322 6.814 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.180 -5.106 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.124 -3.250 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.818 -2.653 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.367 -1.811 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.493 -2.367 6.738 1.00 0.00 H new ATOM 672 N ASP A 254 -9.430 -5.780 3.625 1.00 0.00 N ATOM 673 CA ASP A 254 -9.001 -6.589 2.488 1.00 0.00 C ATOM 674 C ASP A 254 -8.501 -5.709 1.346 1.00 0.00 C ATOM 675 O ASP A 254 -8.537 -6.109 0.183 1.00 0.00 O ATOM 676 CB ASP A 254 -10.154 -7.469 2.002 1.00 0.00 C ATOM 677 CG ASP A 254 -11.362 -6.658 1.576 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.916 -5.926 2.423 1.00 0.00 O ATOM 679 OD2 ASP A 254 -11.753 -6.752 0.393 1.00 0.00 O ATOM 0 H ASP A 254 -10.378 -5.412 3.546 1.00 0.00 H new ATOM 0 HA ASP A 254 -8.178 -7.224 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.814 -8.077 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.443 -8.156 2.798 1.00 0.00 H new ATOM 684 N GLY A 255 -8.031 -4.511 1.684 1.00 0.00 N ATOM 685 CA GLY A 255 -7.529 -3.601 0.671 1.00 0.00 C ATOM 686 C GLY A 255 -8.502 -2.482 0.349 1.00 0.00 C ATOM 687 O GLY A 255 -8.378 -1.824 -0.686 1.00 0.00 O ATOM 0 H GLY A 255 -7.989 -4.156 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.587 -3.170 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.313 -4.161 -0.239 1.00 0.00 H new ATOM 691 N ALA A 256 -9.473 -2.263 1.230 1.00 0.00 N ATOM 692 CA ALA A 256 -10.464 -1.215 1.024 1.00 0.00 C ATOM 693 C ALA A 256 -10.747 -0.463 2.321 1.00 0.00 C ATOM 694 O ALA A 256 -10.489 -0.970 3.414 1.00 0.00 O ATOM 695 CB ALA A 256 -11.748 -1.806 0.462 1.00 0.00 C ATOM 0 H ALA A 256 -9.594 -2.796 2.091 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.060 -0.503 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.479 -1.012 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.539 -2.290 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.147 -2.540 1.162 1.00 0.00 H new ATOM 701 N VAL A 257 -11.277 0.748 2.192 1.00 0.00 N ATOM 702 CA VAL A 257 -11.595 1.573 3.353 1.00 0.00 C ATOM 703 C VAL A 257 -12.828 2.433 3.097 1.00 0.00 C ATOM 704 O VAL A 257 -12.893 3.165 2.109 1.00 0.00 O ATOM 705 CB VAL A 257 -10.413 2.488 3.728 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.708 3.250 5.013 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.132 1.677 3.862 1.00 0.00 C ATOM 0 H VAL A 257 -11.496 1.181 1.295 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.798 0.893 4.180 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.275 3.215 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.861 3.890 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.598 3.864 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.877 2.543 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.308 2.339 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.258 0.925 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.912 1.185 2.914 1.00 0.00 H new ATOM 717 N ALA A 258 -13.803 2.339 3.995 1.00 0.00 N ATOM 718 CA ALA A 258 -15.035 3.110 3.870 1.00 0.00 C ATOM 719 C ALA A 258 -15.733 2.827 2.543 1.00 0.00 C ATOM 720 O ALA A 258 -16.461 3.673 2.021 1.00 0.00 O ATOM 721 CB ALA A 258 -14.743 4.597 4.007 1.00 0.00 C ATOM 0 H ALA A 258 -13.764 1.737 4.817 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.705 2.805 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.671 5.160 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.299 4.792 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.050 4.905 3.225 1.00 0.00 H new ATOM 727 N GLY A 259 -15.504 1.637 1.999 1.00 0.00 N ATOM 728 CA GLY A 259 -16.117 1.268 0.737 1.00 0.00 C ATOM 729 C GLY A 259 -15.280 1.676 -0.463 1.00 0.00 C ATOM 730 O GLY A 259 -15.734 1.583 -1.602 1.00 0.00 O ATOM 0 H GLY A 259 -14.905 0.921 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.274 0.190 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.100 1.734 0.665 1.00 0.00 H new ATOM 734 N THR A 260 -14.054 2.127 -0.208 1.00 0.00 N ATOM 735 CA THR A 260 -13.158 2.548 -1.279 1.00 0.00 C ATOM 736 C THR A 260 -11.913 1.668 -1.322 1.00 0.00 C ATOM 737 O THR A 260 -11.135 1.629 -0.368 1.00 0.00 O ATOM 738 CB THR A 260 -12.756 4.011 -1.088 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.903 4.834 -0.970 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.916 4.555 -2.224 1.00 0.00 C ATOM 0 H THR A 260 -13.660 2.210 0.729 1.00 0.00 H new ATOM 0 HA THR A 260 -13.688 2.444 -2.226 1.00 0.00 H new ATOM 0 HB THR A 260 -12.160 4.030 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.626 5.766 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.666 5.597 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 260 -10.999 3.972 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.477 4.488 -3.156 1.00 0.00 H new ATOM 748 N ARG A 261 -11.728 0.966 -2.435 1.00 0.00 N ATOM 749 CA ARG A 261 -10.576 0.089 -2.601 1.00 0.00 C ATOM 750 C ARG A 261 -9.384 0.860 -3.157 1.00 0.00 C ATOM 751 O ARG A 261 -9.442 1.400 -4.262 1.00 0.00 O ATOM 752 CB ARG A 261 -10.922 -1.076 -3.531 1.00 0.00 C ATOM 753 CG ARG A 261 -9.832 -2.134 -3.611 1.00 0.00 C ATOM 754 CD ARG A 261 -10.048 -3.074 -4.787 1.00 0.00 C ATOM 755 NE ARG A 261 -9.533 -2.516 -6.037 1.00 0.00 N ATOM 756 CZ ARG A 261 -10.265 -1.805 -6.894 1.00 0.00 C ATOM 757 NH1 ARG A 261 -11.545 -1.553 -6.644 1.00 0.00 N ATOM 758 NH2 ARG A 261 -9.713 -1.342 -8.007 1.00 0.00 N ATOM 0 H ARG A 261 -12.361 0.988 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.308 -0.306 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.845 -1.542 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.114 -0.687 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.860 -1.649 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.813 -2.708 -2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.556 -4.026 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -11.113 -3.282 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 261 -8.553 -2.681 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -11.977 -1.905 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -12.096 -1.008 -7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -8.730 -1.530 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -10.271 -0.798 -8.665 1.00 0.00 H new ATOM 772 N TYR A 262 -8.304 0.909 -2.384 1.00 0.00 N ATOM 773 CA TYR A 262 -7.099 1.617 -2.801 1.00 0.00 C ATOM 774 C TYR A 262 -6.151 0.684 -3.548 1.00 0.00 C ATOM 775 O TYR A 262 -5.420 1.110 -4.441 1.00 0.00 O ATOM 776 CB TYR A 262 -6.396 2.224 -1.586 1.00 0.00 C ATOM 777 CG TYR A 262 -7.188 3.331 -0.924 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.298 3.044 -0.140 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.827 4.662 -1.090 1.00 0.00 C ATOM 780 CE1 TYR A 262 -9.026 4.052 0.462 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.551 5.676 -0.489 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.648 5.366 0.285 1.00 0.00 C ATOM 783 OH TYR A 262 -9.373 6.373 0.882 1.00 0.00 O ATOM 0 H TYR A 262 -8.238 0.468 -1.467 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.391 2.420 -3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.205 1.438 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.427 2.615 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.597 2.016 0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -5.969 4.909 -1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.887 3.812 1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.258 6.706 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.236 6.020 1.183 1.00 0.00 H new ATOM 793 N PHE A 263 -6.176 -0.594 -3.180 1.00 0.00 N ATOM 794 CA PHE A 263 -5.326 -1.592 -3.819 1.00 0.00 C ATOM 795 C PHE A 263 -5.904 -2.990 -3.631 1.00 0.00 C ATOM 796 O PHE A 263 -6.871 -3.178 -2.895 1.00 0.00 O ATOM 797 CB PHE A 263 -3.906 -1.531 -3.252 1.00 0.00 C ATOM 798 CG PHE A 263 -3.855 -1.442 -1.754 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.034 -0.227 -1.113 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.625 -2.574 -0.988 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.985 -0.141 0.265 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.574 -2.494 0.392 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.754 -1.276 1.018 1.00 0.00 C ATOM 0 H PHE A 263 -6.776 -0.962 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.287 -1.371 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.358 -2.417 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.392 -0.668 -3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.214 0.663 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.484 -3.528 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.127 0.812 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.394 -3.382 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.714 -1.211 2.095 1.00 0.00 H new ATOM 813 N GLN A 264 -5.306 -3.969 -4.302 1.00 0.00 N ATOM 814 CA GLN A 264 -5.765 -5.350 -4.206 1.00 0.00 C ATOM 815 C GLN A 264 -4.825 -6.177 -3.337 1.00 0.00 C ATOM 816 O GLN A 264 -3.614 -6.193 -3.557 1.00 0.00 O ATOM 817 CB GLN A 264 -5.873 -5.973 -5.599 1.00 0.00 C ATOM 818 CG GLN A 264 -6.427 -7.388 -5.591 1.00 0.00 C ATOM 819 CD GLN A 264 -7.942 -7.421 -5.615 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.558 -7.376 -6.680 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.551 -7.501 -4.438 1.00 0.00 N ATOM 0 H GLN A 264 -4.504 -3.832 -4.917 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.751 -5.347 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.512 -5.345 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.886 -5.981 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.042 -7.930 -6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.070 -7.909 -4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -8.000 -7.536 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.570 -7.528 -4.392 1.00 0.00 H new ATOM 830 N CYS A 265 -5.391 -6.863 -2.350 1.00 0.00 N ATOM 831 CA CYS A 265 -4.603 -7.693 -1.447 1.00 0.00 C ATOM 832 C CYS A 265 -5.448 -8.815 -0.856 1.00 0.00 C ATOM 833 O CYS A 265 -6.677 -8.744 -0.847 1.00 0.00 O ATOM 834 CB CYS A 265 -4.010 -6.840 -0.325 1.00 0.00 C ATOM 835 SG CYS A 265 -5.220 -5.808 0.535 1.00 0.00 S ATOM 0 H CYS A 265 -6.392 -6.861 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.793 -8.141 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.528 -7.496 0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.233 -6.199 -0.742 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.832 -4.568 0.505 1.00 0.00 H new ATOM 841 N GLN A 266 -4.778 -9.850 -0.360 1.00 0.00 N ATOM 842 CA GLN A 266 -5.460 -10.992 0.239 1.00 0.00 C ATOM 843 C GLN A 266 -6.288 -10.556 1.447 1.00 0.00 C ATOM 844 O GLN A 266 -6.117 -9.449 1.958 1.00 0.00 O ATOM 845 CB GLN A 266 -4.439 -12.052 0.659 1.00 0.00 C ATOM 846 CG GLN A 266 -4.142 -13.076 -0.424 1.00 0.00 C ATOM 847 CD GLN A 266 -5.394 -13.747 -0.954 1.00 0.00 C ATOM 848 OE1 GLN A 266 -5.863 -14.740 -0.399 1.00 0.00 O ATOM 849 NE2 GLN A 266 -5.943 -13.204 -2.035 1.00 0.00 N ATOM 0 H GLN A 266 -3.761 -9.922 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.133 -11.419 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.510 -11.557 0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.809 -12.569 1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.620 -12.587 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.469 -13.835 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -5.520 -12.380 -2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -6.787 -13.611 -2.437 1.00 0.00 H new ATOM 858 N PRO A 267 -7.200 -11.421 1.923 1.00 0.00 N ATOM 859 CA PRO A 267 -8.048 -11.110 3.078 1.00 0.00 C ATOM 860 C PRO A 267 -7.235 -10.941 4.357 1.00 0.00 C ATOM 861 O PRO A 267 -6.352 -11.745 4.654 1.00 0.00 O ATOM 862 CB PRO A 267 -8.975 -12.326 3.188 1.00 0.00 C ATOM 863 CG PRO A 267 -8.258 -13.424 2.479 1.00 0.00 C ATOM 864 CD PRO A 267 -7.479 -12.762 1.377 1.00 0.00 C ATOM 0 HA PRO A 267 -8.582 -10.168 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.163 -12.586 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.944 -12.127 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.595 -13.960 3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.961 -14.154 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.561 -13.304 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -8.054 -12.709 0.453 1.00 0.00 H new ATOM 872 N LYS A 268 -7.539 -9.889 5.110 1.00 0.00 N ATOM 873 CA LYS A 268 -6.837 -9.609 6.360 1.00 0.00 C ATOM 874 C LYS A 268 -5.361 -9.305 6.110 1.00 0.00 C ATOM 875 O LYS A 268 -4.541 -9.381 7.026 1.00 0.00 O ATOM 876 CB LYS A 268 -6.969 -10.790 7.324 1.00 0.00 C ATOM 877 CG LYS A 268 -8.409 -11.149 7.653 1.00 0.00 C ATOM 878 CD LYS A 268 -8.614 -11.320 9.150 1.00 0.00 C ATOM 879 CE LYS A 268 -9.853 -12.148 9.455 1.00 0.00 C ATOM 880 NZ LYS A 268 -9.524 -13.375 10.232 1.00 0.00 N ATOM 0 H LYS A 268 -8.268 -9.215 4.877 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.297 -8.728 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.477 -11.660 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.442 -10.554 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.073 -10.369 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.681 -12.071 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.738 -11.801 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.706 -10.341 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.565 -11.543 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.340 -12.429 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -10.395 -13.911 10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -8.865 -13.965 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -9.082 -13.106 11.134 1.00 0.00 H new ATOM 894 N TYR A 269 -5.026 -8.960 4.870 1.00 0.00 N ATOM 895 CA TYR A 269 -3.647 -8.644 4.508 1.00 0.00 C ATOM 896 C TYR A 269 -3.480 -7.150 4.234 1.00 0.00 C ATOM 897 O TYR A 269 -2.362 -6.638 4.211 1.00 0.00 O ATOM 898 CB TYR A 269 -3.219 -9.445 3.277 1.00 0.00 C ATOM 899 CG TYR A 269 -2.684 -10.823 3.596 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.249 -11.595 4.605 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.614 -11.353 2.887 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.761 -12.855 4.895 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.122 -12.613 3.172 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.699 -13.360 4.177 1.00 0.00 C ATOM 905 OH TYR A 269 -1.213 -14.614 4.464 1.00 0.00 O ATOM 0 H TYR A 269 -5.690 -8.892 4.099 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.011 -8.916 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.072 -9.544 2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.454 -8.885 2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.082 -11.204 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.159 -10.771 2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.211 -13.442 5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.290 -13.010 2.610 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.464 -14.819 3.866 1.00 0.00 H new ATOM 915 N GLY A 270 -4.595 -6.456 4.023 1.00 0.00 N ATOM 916 CA GLY A 270 -4.540 -5.032 3.750 1.00 0.00 C ATOM 917 C GLY A 270 -4.413 -4.199 5.009 1.00 0.00 C ATOM 918 O GLY A 270 -5.294 -4.222 5.868 1.00 0.00 O ATOM 0 H GLY A 270 -5.534 -6.854 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.694 -4.824 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.440 -4.735 3.212 1.00 0.00 H new ATOM 922 N LEU A 271 -3.317 -3.456 5.114 1.00 0.00 N ATOM 923 CA LEU A 271 -3.076 -2.604 6.275 1.00 0.00 C ATOM 924 C LEU A 271 -2.784 -1.173 5.834 1.00 0.00 C ATOM 925 O LEU A 271 -1.899 -0.934 5.013 1.00 0.00 O ATOM 926 CB LEU A 271 -1.912 -3.150 7.102 1.00 0.00 C ATOM 927 CG LEU A 271 -1.980 -2.840 8.599 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.227 -3.458 9.219 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.728 -3.339 9.304 1.00 0.00 C ATOM 0 H LEU A 271 -2.580 -3.426 4.409 1.00 0.00 H new ATOM 0 HA LEU A 271 -3.973 -2.601 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.870 -4.231 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -0.982 -2.744 6.704 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.037 -1.759 8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.257 -3.226 10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.114 -3.051 8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.203 -4.539 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.794 -3.110 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.640 -4.417 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.148 -2.848 8.881 1.00 0.00 H new ATOM 941 N PHE A 272 -3.542 -0.225 6.377 1.00 0.00 N ATOM 942 CA PHE A 272 -3.373 1.182 6.031 1.00 0.00 C ATOM 943 C PHE A 272 -2.674 1.951 7.149 1.00 0.00 C ATOM 944 O PHE A 272 -3.237 2.139 8.224 1.00 0.00 O ATOM 945 CB PHE A 272 -4.735 1.820 5.747 1.00 0.00 C ATOM 946 CG PHE A 272 -5.292 1.483 4.393 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.402 0.164 3.982 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.712 2.486 3.535 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.919 -0.148 2.739 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.228 2.182 2.290 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.332 0.863 1.892 1.00 0.00 C ATOM 0 H PHE A 272 -4.279 -0.406 7.058 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.749 1.232 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.443 1.498 6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.644 2.903 5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.080 -0.629 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.635 3.518 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.000 -1.180 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.549 2.974 1.629 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.736 0.622 0.920 1.00 0.00 H new ATOM 961 N ALA A 273 -1.454 2.409 6.882 1.00 0.00 N ATOM 962 CA ALA A 273 -0.694 3.174 7.865 1.00 0.00 C ATOM 963 C ALA A 273 0.082 4.307 7.198 1.00 0.00 C ATOM 964 O ALA A 273 0.505 4.191 6.047 1.00 0.00 O ATOM 965 CB ALA A 273 0.254 2.275 8.646 1.00 0.00 C ATOM 0 H ALA A 273 -0.972 2.264 5.995 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.408 3.610 8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.807 2.872 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.319 1.509 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.954 1.799 7.959 1.00 0.00 H new ATOM 971 N PRO A 274 0.277 5.423 7.919 1.00 0.00 N ATOM 972 CA PRO A 274 1.002 6.589 7.406 1.00 0.00 C ATOM 973 C PRO A 274 2.342 6.223 6.782 1.00 0.00 C ATOM 974 O PRO A 274 2.874 5.138 7.017 1.00 0.00 O ATOM 975 CB PRO A 274 1.224 7.440 8.652 1.00 0.00 C ATOM 976 CG PRO A 274 0.112 7.076 9.570 1.00 0.00 C ATOM 977 CD PRO A 274 -0.202 5.631 9.297 1.00 0.00 C ATOM 0 HA PRO A 274 0.446 7.089 6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.194 7.232 9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.206 8.503 8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.403 7.221 10.610 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.761 7.704 9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.305 4.971 10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.270 5.430 9.384 1.00 0.00 H new ATOM 985 N VAL A 275 2.887 7.142 5.992 1.00 0.00 N ATOM 986 CA VAL A 275 4.171 6.924 5.338 1.00 0.00 C ATOM 987 C VAL A 275 5.308 6.933 6.356 1.00 0.00 C ATOM 988 O VAL A 275 6.277 6.184 6.223 1.00 0.00 O ATOM 989 CB VAL A 275 4.440 7.995 4.262 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.502 9.381 4.887 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.724 7.683 3.505 1.00 0.00 C ATOM 0 H VAL A 275 2.459 8.045 5.789 1.00 0.00 H new ATOM 0 HA VAL A 275 4.127 5.947 4.858 1.00 0.00 H new ATOM 0 HB VAL A 275 3.614 7.982 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.693 10.122 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.553 9.603 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.305 9.412 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.897 8.450 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.562 7.665 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.634 6.711 3.020 1.00 0.00 H new ATOM 1001 N HIS A 276 5.182 7.779 7.375 1.00 0.00 N ATOM 1002 CA HIS A 276 6.202 7.877 8.415 1.00 0.00 C ATOM 1003 C HIS A 276 6.133 6.679 9.357 1.00 0.00 C ATOM 1004 O HIS A 276 7.133 6.300 9.968 1.00 0.00 O ATOM 1005 CB HIS A 276 6.054 9.180 9.206 1.00 0.00 C ATOM 1006 CG HIS A 276 4.641 9.512 9.581 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.668 8.752 10.136 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 4.089 10.763 9.397 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.560 9.547 10.277 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.839 10.755 9.825 1.00 0.00 N flip ATOM 0 H HIS A 276 4.387 8.405 7.503 1.00 0.00 H new ATOM 0 HA HIS A 276 7.176 7.879 7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.653 9.111 10.114 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.464 9.999 8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.598 11.614 8.970 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.612 9.235 10.691 1.00 0.00 H new ATOM 0 HE2 HIS A 276 2.198 11.548 9.809 1.00 0.00 H new ATOM 1019 N LYS A 277 4.950 6.079 9.465 1.00 0.00 N ATOM 1020 CA LYS A 277 4.762 4.918 10.325 1.00 0.00 C ATOM 1021 C LYS A 277 5.310 3.658 9.666 1.00 0.00 C ATOM 1022 O LYS A 277 5.587 2.666 10.340 1.00 0.00 O ATOM 1023 CB LYS A 277 3.280 4.724 10.653 1.00 0.00 C ATOM 1024 CG LYS A 277 2.787 5.598 11.794 1.00 0.00 C ATOM 1025 CD LYS A 277 2.537 4.776 13.048 1.00 0.00 C ATOM 1026 CE LYS A 277 2.907 5.545 14.306 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.382 5.694 14.452 1.00 0.00 N ATOM 0 H LYS A 277 4.111 6.378 8.968 1.00 0.00 H new ATOM 0 HA LYS A 277 5.311 5.097 11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.689 4.937 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.107 3.678 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.523 6.374 12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.868 6.103 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.486 4.490 13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 277 3.117 3.854 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 277 2.443 6.531 14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 277 2.506 5.029 15.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 4.593 6.569 14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.763 4.880 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 4.821 5.737 13.510 1.00 0.00 H new ATOM 1041 N VAL A 278 5.466 3.702 8.347 1.00 0.00 N ATOM 1042 CA VAL A 278 5.984 2.560 7.611 1.00 0.00 C ATOM 1043 C VAL A 278 7.496 2.650 7.455 1.00 0.00 C ATOM 1044 O VAL A 278 8.040 3.717 7.177 1.00 0.00 O ATOM 1045 CB VAL A 278 5.340 2.433 6.218 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.749 1.126 5.566 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.827 2.531 6.313 1.00 0.00 C ATOM 0 H VAL A 278 5.242 4.513 7.770 1.00 0.00 H new ATOM 0 HA VAL A 278 5.730 1.674 8.193 1.00 0.00 H new ATOM 0 HB VAL A 278 5.695 3.257 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.286 1.050 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.833 1.096 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.422 0.292 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.393 2.439 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.450 1.730 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.551 3.495 6.741 1.00 0.00 H new ATOM 1057 N THR A 279 8.168 1.520 7.639 1.00 0.00 N ATOM 1058 CA THR A 279 9.619 1.466 7.522 1.00 0.00 C ATOM 1059 C THR A 279 10.048 0.330 6.602 1.00 0.00 C ATOM 1060 O THR A 279 9.576 -0.800 6.733 1.00 0.00 O ATOM 1061 CB THR A 279 10.252 1.288 8.903 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.325 1.613 9.925 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.483 2.143 9.112 1.00 0.00 C ATOM 0 H THR A 279 7.730 0.628 7.870 1.00 0.00 H new ATOM 0 HA THR A 279 9.962 2.406 7.090 1.00 0.00 H new ATOM 0 HB THR A 279 10.545 0.239 8.953 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.748 1.491 10.801 1.00 0.00 H new ATOM 0 HG21 THR A 279 11.882 1.968 10.111 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.237 1.883 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.218 3.195 9.006 1.00 0.00 H new ATOM 1071 N LYS A 280 10.945 0.635 5.672 1.00 0.00 N ATOM 1072 CA LYS A 280 11.438 -0.364 4.731 1.00 0.00 C ATOM 1073 C LYS A 280 12.199 -1.464 5.462 1.00 0.00 C ATOM 1074 O LYS A 280 13.075 -1.189 6.281 1.00 0.00 O ATOM 1075 CB LYS A 280 12.338 0.293 3.681 1.00 0.00 C ATOM 1076 CG LYS A 280 12.039 -0.154 2.260 1.00 0.00 C ATOM 1077 CD LYS A 280 13.126 0.293 1.296 1.00 0.00 C ATOM 1078 CE LYS A 280 14.077 -0.845 0.963 1.00 0.00 C ATOM 1079 NZ LYS A 280 15.385 -0.347 0.455 1.00 0.00 N ATOM 0 H LYS A 280 11.346 1.565 5.549 1.00 0.00 H new ATOM 0 HA LYS A 280 10.581 -0.813 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.226 1.375 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.379 0.066 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.949 -1.240 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.079 0.254 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 280 12.670 0.667 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.685 1.120 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.241 -1.453 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.620 -1.492 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 16.004 -1.155 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 15.232 0.212 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 15.834 0.250 1.179 1.00 0.00 H new ATOM 1093 N ILE A 281 11.856 -2.713 5.161 1.00 0.00 N ATOM 1094 CA ILE A 281 12.506 -3.855 5.791 1.00 0.00 C ATOM 1095 C ILE A 281 13.743 -4.283 5.008 1.00 0.00 C ATOM 1096 O ILE A 281 14.699 -4.810 5.579 1.00 0.00 O ATOM 1097 CB ILE A 281 11.540 -5.052 5.911 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.204 -6.201 6.672 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.087 -5.514 4.534 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.238 -7.289 7.088 1.00 0.00 C ATOM 0 H ILE A 281 11.132 -2.959 4.485 1.00 0.00 H new ATOM 0 HA ILE A 281 12.807 -3.541 6.790 1.00 0.00 H new ATOM 0 HB ILE A 281 10.661 -4.731 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.983 -6.638 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.694 -5.802 7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.406 -6.359 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.575 -4.697 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 281 11.955 -5.818 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.778 -8.070 7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.473 -6.867 7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.766 -7.715 6.202 1.00 0.00 H new ATOM 1112 N GLY A 282 13.720 -4.052 3.700 1.00 0.00 N ATOM 1113 CA GLY A 282 14.846 -4.420 2.862 1.00 0.00 C ATOM 1114 C GLY A 282 16.077 -3.584 3.148 1.00 0.00 C ATOM 1115 O GLY A 282 16.060 -2.365 2.979 1.00 0.00 O ATOM 0 H GLY A 282 12.942 -3.616 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.081 -5.473 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 282 14.568 -4.306 1.814 1.00 0.00 H new ATOM 1119 N PHE A 283 17.148 -4.241 3.580 1.00 0.00 N ATOM 1120 CA PHE A 283 18.395 -3.551 3.889 1.00 0.00 C ATOM 1121 C PHE A 283 19.254 -3.388 2.637 1.00 0.00 C ATOM 1122 O PHE A 283 19.213 -4.225 1.735 1.00 0.00 O ATOM 1123 CB PHE A 283 19.174 -4.317 4.960 1.00 0.00 C ATOM 1124 CG PHE A 283 19.313 -5.784 4.666 1.00 0.00 C ATOM 1125 CD1 PHE A 283 20.088 -6.220 3.603 1.00 0.00 C ATOM 1126 CD2 PHE A 283 18.668 -6.725 5.452 1.00 0.00 C ATOM 1127 CE1 PHE A 283 20.217 -7.569 3.330 1.00 0.00 C ATOM 1128 CE2 PHE A 283 18.793 -8.076 5.183 1.00 0.00 C ATOM 1129 CZ PHE A 283 19.569 -8.498 4.121 1.00 0.00 C ATOM 0 H PHE A 283 17.178 -5.250 3.724 1.00 0.00 H new ATOM 0 HA PHE A 283 18.147 -2.560 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 283 20.167 -3.879 5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 283 18.674 -4.193 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 283 20.597 -5.498 2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 283 18.061 -6.400 6.284 1.00 0.00 H new ATOM 0 HE1 PHE A 283 20.824 -7.896 2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 283 18.285 -8.800 5.802 1.00 0.00 H new ATOM 0 HZ PHE A 283 19.669 -9.552 3.909 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 -0.090 7.000 23.303 1.00 0.00 N ATOM 1141 CA GLY B 444 0.177 6.180 22.138 1.00 0.00 C ATOM 1142 C GLY B 444 0.907 6.938 21.048 1.00 0.00 C ATOM 1143 O GLY B 444 0.304 7.721 20.314 1.00 0.00 O ATOM 0 HA2 GLY B 444 0.771 5.316 22.435 1.00 0.00 H new ATOM 0 HA3 GLY B 444 -0.765 5.799 21.743 1.00 0.00 H new ATOM 1146 N GLU B 445 2.212 6.705 20.940 1.00 0.00 N ATOM 1147 CA GLU B 445 3.028 7.373 19.932 1.00 0.00 C ATOM 1148 C GLU B 445 3.889 6.365 19.177 1.00 0.00 C ATOM 1149 O GLU B 445 5.112 6.499 19.115 1.00 0.00 O ATOM 1150 CB GLU B 445 3.913 8.437 20.584 1.00 0.00 C ATOM 1151 CG GLU B 445 4.819 7.889 21.675 1.00 0.00 C ATOM 1152 CD GLU B 445 4.936 8.825 22.861 1.00 0.00 C ATOM 1153 OE1 GLU B 445 5.149 10.037 22.642 1.00 0.00 O ATOM 1154 OE2 GLU B 445 4.816 8.348 24.009 1.00 0.00 O ATOM 0 H GLU B 445 2.727 6.059 21.538 1.00 0.00 H new ATOM 0 HA GLU B 445 2.360 7.857 19.220 1.00 0.00 H new ATOM 0 HB2 GLU B 445 4.527 8.908 19.816 1.00 0.00 H new ATOM 0 HB3 GLU B 445 3.279 9.216 21.007 1.00 0.00 H new ATOM 0 HG2 GLU B 445 4.434 6.927 22.013 1.00 0.00 H new ATOM 0 HG3 GLU B 445 5.811 7.707 21.261 1.00 0.00 H new ATOM 1161 N GLU B 446 3.243 5.354 18.604 1.00 0.00 N ATOM 1162 CA GLU B 446 3.947 4.323 17.853 1.00 0.00 C ATOM 1163 C GLU B 446 2.962 3.406 17.134 1.00 0.00 C ATOM 1164 O GLU B 446 3.173 3.033 15.980 1.00 0.00 O ATOM 1165 CB GLU B 446 4.838 3.500 18.786 1.00 0.00 C ATOM 1166 CG GLU B 446 6.121 3.014 18.133 1.00 0.00 C ATOM 1167 CD GLU B 446 6.695 1.789 18.818 1.00 0.00 C ATOM 1168 OE1 GLU B 446 6.127 0.691 18.643 1.00 0.00 O ATOM 1169 OE2 GLU B 446 7.713 1.928 19.528 1.00 0.00 O ATOM 0 H GLU B 446 2.232 5.228 18.646 1.00 0.00 H new ATOM 0 HA GLU B 446 4.571 4.815 17.107 1.00 0.00 H new ATOM 0 HB2 GLU B 446 5.090 4.103 19.658 1.00 0.00 H new ATOM 0 HB3 GLU B 446 4.275 2.639 19.146 1.00 0.00 H new ATOM 0 HG2 GLU B 446 5.926 2.783 17.086 1.00 0.00 H new ATOM 0 HG3 GLU B 446 6.860 3.815 18.151 1.00 0.00 H new ATOM 1176 N GLU B 447 1.885 3.048 17.824 1.00 0.00 N ATOM 1177 CA GLU B 447 0.865 2.176 17.256 1.00 0.00 C ATOM 1178 C GLU B 447 -0.513 2.822 17.347 1.00 0.00 C ATOM 1179 O GLU B 447 -0.718 3.764 18.112 1.00 0.00 O ATOM 1180 CB GLU B 447 0.856 0.826 17.976 1.00 0.00 C ATOM 1181 CG GLU B 447 2.237 0.209 18.129 1.00 0.00 C ATOM 1182 CD GLU B 447 2.492 -0.903 17.131 1.00 0.00 C ATOM 1183 OE1 GLU B 447 1.805 -1.943 17.212 1.00 0.00 O ATOM 1184 OE2 GLU B 447 3.379 -0.734 16.267 1.00 0.00 O ATOM 0 H GLU B 447 1.696 3.349 18.780 1.00 0.00 H new ATOM 0 HA GLU B 447 1.105 2.016 16.205 1.00 0.00 H new ATOM 0 HB2 GLU B 447 0.413 0.953 18.964 1.00 0.00 H new ATOM 0 HB3 GLU B 447 0.217 0.135 17.426 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.993 0.984 18.005 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.346 -0.183 19.140 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.455 2.312 16.560 1.00 0.00 N ATOM 1192 CA GLY B 448 -2.801 2.856 16.567 1.00 0.00 C ATOM 1193 C GLY B 448 -3.076 3.757 15.377 1.00 0.00 C ATOM 1194 O GLY B 448 -4.217 4.158 15.147 1.00 0.00 O ATOM 0 H GLY B 448 -1.311 1.533 15.918 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.519 2.036 16.570 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -2.956 3.419 17.487 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.032 4.080 14.619 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.172 4.941 13.449 1.00 0.00 C ATOM 1200 C GLU B 449 -2.327 4.117 12.180 1.00 0.00 C ATOM 1201 O GLU B 449 -1.904 4.542 11.108 1.00 0.00 O ATOM 1202 CB GLU B 449 -0.958 5.860 13.306 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.365 6.311 14.632 1.00 0.00 C ATOM 1204 CD GLU B 449 -1.327 7.154 15.444 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -2.553 6.953 15.311 1.00 0.00 O ATOM 1206 OE2 GLU B 449 -0.855 8.019 16.215 1.00 0.00 O ATOM 0 H GLU B 449 -1.080 3.758 14.794 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.068 5.545 13.592 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.189 5.343 12.733 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.247 6.740 12.731 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.076 5.435 15.213 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.544 6.883 14.444 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.926 2.940 12.296 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.114 2.083 11.135 1.00 0.00 C ATOM 1215 C GLU B 450 -4.480 1.406 11.162 1.00 0.00 C ATOM 1216 O GLU B 450 -5.060 1.192 12.227 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.996 1.041 11.056 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.114 -0.076 12.082 1.00 0.00 C ATOM 1219 CD GLU B 450 -1.739 0.376 13.480 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -2.532 1.116 14.098 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.650 -0.009 13.956 1.00 0.00 O ATOM 0 H GLU B 450 -3.286 2.560 13.172 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.072 2.709 10.243 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.992 0.604 10.058 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.037 1.542 11.189 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.137 -0.453 12.088 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -1.471 -0.905 11.787 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.988 1.075 9.979 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.288 0.426 9.858 1.00 0.00 C ATOM 1230 C TYR B 451 -6.231 -0.725 8.860 1.00 0.00 C ATOM 1231 O TYR B 451 -5.134 -1.293 8.673 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.345 1.441 9.423 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.844 2.315 10.552 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.143 3.452 10.938 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.013 2.004 11.233 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.593 4.252 11.969 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.471 2.800 12.267 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.758 3.922 12.631 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.209 4.716 13.660 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.284 -1.049 8.272 1.00 0.00 O ATOM 0 H TYR B 451 -4.518 1.246 9.090 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.559 0.022 10.834 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.928 2.075 8.641 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.190 0.909 8.986 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.231 3.714 10.422 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.574 1.126 10.951 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.036 5.132 12.256 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.383 2.544 12.787 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.042 4.345 14.019 1.00 0.00 H new TER 1250 TYR B 451