USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 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+ 154:sc= -0.0253 (180deg=-0.315) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -20:sc= -3.09! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -5.11! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -1.05 K(o=-1.1,f=-6.7!) USER MOD Single : A 260 THR OG1 : rot 77:sc= 0.0214 USER MOD Single : A 262 TYR OH : rot -30:sc= -0.965 USER MOD Single : A 264 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 265 CYS SG : rot -134:sc= -3.62 USER MOD Single : A 266 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot -151:sc= -0.823 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -3.98 F(o=-4.5!,f=-4) USER MOD Single : A 277 LYS NZ :NH3+ 143:sc= -0.772 (180deg=-1.5!) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ -178:sc= -1.5 (180deg=-1.66) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 12.349 10.162 3.844 1.00 0.00 N ATOM 2 CA ARG A 210 11.862 8.795 3.991 1.00 0.00 C ATOM 3 C ARG A 210 10.667 8.542 3.075 1.00 0.00 C ATOM 4 O ARG A 210 9.532 8.425 3.537 1.00 0.00 O ATOM 5 CB ARG A 210 11.478 8.524 5.446 1.00 0.00 C ATOM 6 CG ARG A 210 10.926 7.127 5.684 1.00 0.00 C ATOM 7 CD ARG A 210 11.346 6.583 7.041 1.00 0.00 C ATOM 8 NE ARG A 210 10.314 6.779 8.056 1.00 0.00 N ATOM 9 CZ ARG A 210 10.175 7.893 8.772 1.00 0.00 C ATOM 10 NH1 ARG A 210 10.996 8.920 8.588 1.00 0.00 N ATOM 11 NH2 ARG A 210 9.209 7.983 9.678 1.00 0.00 N ATOM 0 HA ARG A 210 12.664 8.114 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 210 12.355 8.671 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 210 10.734 9.257 5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 210 9.838 7.149 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 210 11.277 6.458 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 210 11.568 5.520 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 210 12.265 7.075 7.360 1.00 0.00 H new ATOM 0 HE ARG A 210 9.660 6.016 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 210 11.741 8.860 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 210 10.882 9.769 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 210 8.574 7.199 9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 210 9.102 8.836 10.227 1.00 0.00 H new ATOM 24 N GLU A 211 10.933 8.461 1.776 1.00 0.00 N ATOM 25 CA GLU A 211 9.881 8.223 0.793 1.00 0.00 C ATOM 26 C GLU A 211 9.737 6.730 0.504 1.00 0.00 C ATOM 27 O GLU A 211 10.720 5.991 0.508 1.00 0.00 O ATOM 28 CB GLU A 211 10.184 8.978 -0.503 1.00 0.00 C ATOM 29 CG GLU A 211 8.964 9.183 -1.386 1.00 0.00 C ATOM 30 CD GLU A 211 8.506 10.629 -1.423 1.00 0.00 C ATOM 31 OE1 GLU A 211 8.019 11.123 -0.384 1.00 0.00 O ATOM 32 OE2 GLU A 211 8.633 11.265 -2.490 1.00 0.00 O ATOM 0 H GLU A 211 11.868 8.557 1.379 1.00 0.00 H new ATOM 0 HA GLU A 211 8.941 8.589 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 211 10.611 9.950 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 211 10.941 8.430 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 211 9.194 8.853 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 211 8.149 8.557 -1.024 1.00 0.00 H new ATOM 39 N LEU A 212 8.505 6.296 0.258 1.00 0.00 N ATOM 40 CA LEU A 212 8.235 4.893 -0.030 1.00 0.00 C ATOM 41 C LEU A 212 7.719 4.716 -1.455 1.00 0.00 C ATOM 42 O LEU A 212 7.080 5.610 -2.010 1.00 0.00 O ATOM 43 CB LEU A 212 7.214 4.334 0.964 1.00 0.00 C ATOM 44 CG LEU A 212 7.733 4.160 2.393 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.603 3.740 3.322 1.00 0.00 C ATOM 46 CD2 LEU A 212 8.867 3.144 2.432 1.00 0.00 C ATOM 0 H LEU A 212 7.679 6.895 0.252 1.00 0.00 H new ATOM 0 HA LEU A 212 9.171 4.343 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.349 4.997 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 212 6.866 3.368 0.600 1.00 0.00 H new ATOM 0 HG LEU A 212 8.122 5.118 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 212 6.989 3.621 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 212 5.826 4.504 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.183 2.794 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.222 3.034 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.506 2.182 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.685 3.488 1.799 1.00 0.00 H new ATOM 58 N LYS A 213 8.002 3.557 -2.041 1.00 0.00 N ATOM 59 CA LYS A 213 7.566 3.259 -3.399 1.00 0.00 C ATOM 60 C LYS A 213 6.728 1.985 -3.432 1.00 0.00 C ATOM 61 O LYS A 213 6.972 1.052 -2.668 1.00 0.00 O ATOM 62 CB LYS A 213 8.776 3.112 -4.324 1.00 0.00 C ATOM 63 CG LYS A 213 9.817 4.203 -4.143 1.00 0.00 C ATOM 64 CD LYS A 213 10.684 3.952 -2.918 1.00 0.00 C ATOM 65 CE LYS A 213 12.136 3.710 -3.299 1.00 0.00 C ATOM 66 NZ LYS A 213 12.737 4.891 -3.977 1.00 0.00 N ATOM 0 H LYS A 213 8.532 2.808 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 213 6.950 4.088 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.243 2.143 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.434 3.116 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.447 4.256 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.320 5.168 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 213 10.622 4.808 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 213 10.302 3.089 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 213 12.711 3.474 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 213 12.199 2.843 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 13.767 4.888 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.532 4.848 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 12.333 5.763 -3.579 1.00 0.00 H new ATOM 80 N ILE A 214 5.742 1.952 -4.323 1.00 0.00 N ATOM 81 CA ILE A 214 4.870 0.790 -4.451 1.00 0.00 C ATOM 82 C ILE A 214 5.664 -0.446 -4.857 1.00 0.00 C ATOM 83 O ILE A 214 6.644 -0.353 -5.596 1.00 0.00 O ATOM 84 CB ILE A 214 3.752 1.039 -5.484 1.00 0.00 C ATOM 85 CG1 ILE A 214 2.981 2.313 -5.131 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.811 -0.156 -5.548 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.873 2.639 -6.107 1.00 0.00 C ATOM 0 H ILE A 214 5.527 2.715 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 214 4.416 0.621 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 214 4.206 1.169 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.555 2.206 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.678 3.150 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.028 0.036 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.371 -1.045 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.359 -0.316 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.370 3.554 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.294 2.779 -7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.155 1.819 -6.129 1.00 0.00 H new ATOM 99 N GLY A 215 5.235 -1.605 -4.367 1.00 0.00 N ATOM 100 CA GLY A 215 5.918 -2.845 -4.686 1.00 0.00 C ATOM 101 C GLY A 215 7.151 -3.073 -3.828 1.00 0.00 C ATOM 102 O GLY A 215 7.835 -4.085 -3.975 1.00 0.00 O ATOM 0 H GLY A 215 4.426 -1.707 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.229 -3.679 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.208 -2.835 -5.737 1.00 0.00 H new ATOM 106 N ASP A 216 7.439 -2.131 -2.935 1.00 0.00 N ATOM 107 CA ASP A 216 8.599 -2.239 -2.059 1.00 0.00 C ATOM 108 C ASP A 216 8.218 -2.862 -0.720 1.00 0.00 C ATOM 109 O ASP A 216 7.124 -2.632 -0.205 1.00 0.00 O ATOM 110 CB ASP A 216 9.225 -0.860 -1.832 1.00 0.00 C ATOM 111 CG ASP A 216 9.655 -0.200 -3.127 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.078 -0.530 -4.184 1.00 0.00 O ATOM 113 OD2 ASP A 216 10.571 0.649 -3.084 1.00 0.00 O ATOM 0 H ASP A 216 6.885 -1.285 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 216 9.328 -2.887 -2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.507 -0.218 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 216 10.088 -0.960 -1.174 1.00 0.00 H new ATOM 118 N ARG A 217 9.130 -3.650 -0.159 1.00 0.00 N ATOM 119 CA ARG A 217 8.893 -4.300 1.123 1.00 0.00 C ATOM 120 C ARG A 217 9.054 -3.303 2.263 1.00 0.00 C ATOM 121 O ARG A 217 10.018 -2.538 2.299 1.00 0.00 O ATOM 122 CB ARG A 217 9.853 -5.475 1.315 1.00 0.00 C ATOM 123 CG ARG A 217 9.243 -6.646 2.067 1.00 0.00 C ATOM 124 CD ARG A 217 8.285 -7.435 1.188 1.00 0.00 C ATOM 125 NE ARG A 217 8.908 -8.634 0.635 1.00 0.00 N ATOM 126 CZ ARG A 217 9.043 -9.776 1.304 1.00 0.00 C ATOM 127 NH1 ARG A 217 8.606 -9.878 2.554 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.619 -10.819 0.723 1.00 0.00 N ATOM 0 H ARG A 217 10.040 -3.853 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 217 7.871 -4.679 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.192 -5.819 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.735 -5.128 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.036 -7.303 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.713 -6.279 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.409 -7.718 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.935 -6.801 0.374 1.00 0.00 H new ATOM 0 HE ARG A 217 9.261 -8.594 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 217 8.164 -9.078 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 217 8.713 -10.756 3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 217 9.958 -10.746 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 217 9.723 -11.695 1.235 1.00 0.00 H new ATOM 142 N VAL A 218 8.102 -3.306 3.187 1.00 0.00 N ATOM 143 CA VAL A 218 8.138 -2.390 4.318 1.00 0.00 C ATOM 144 C VAL A 218 7.402 -2.960 5.524 1.00 0.00 C ATOM 145 O VAL A 218 6.913 -4.091 5.491 1.00 0.00 O ATOM 146 CB VAL A 218 7.508 -1.032 3.952 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.125 -0.483 2.673 1.00 0.00 C ATOM 148 CG2 VAL A 218 5.996 -1.164 3.810 1.00 0.00 C ATOM 0 H VAL A 218 7.297 -3.932 3.175 1.00 0.00 H new ATOM 0 HA VAL A 218 9.188 -2.250 4.573 1.00 0.00 H new ATOM 0 HB VAL A 218 7.714 -0.328 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.667 0.476 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.197 -0.348 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.953 -1.184 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.569 -0.195 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.766 -1.883 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.571 -1.508 4.753 1.00 0.00 H new ATOM 158 N LEU A 219 7.310 -2.159 6.577 1.00 0.00 N ATOM 159 CA LEU A 219 6.615 -2.565 7.789 1.00 0.00 C ATOM 160 C LEU A 219 5.531 -1.555 8.138 1.00 0.00 C ATOM 161 O LEU A 219 5.818 -0.380 8.350 1.00 0.00 O ATOM 162 CB LEU A 219 7.586 -2.689 8.963 1.00 0.00 C ATOM 163 CG LEU A 219 8.703 -3.719 8.793 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.459 -3.895 10.101 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.136 -5.049 8.319 1.00 0.00 C ATOM 0 H LEU A 219 7.710 -1.221 6.615 1.00 0.00 H new ATOM 0 HA LEU A 219 6.162 -3.539 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.040 -1.714 9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 219 7.016 -2.942 9.857 1.00 0.00 H new ATOM 0 HG LEU A 219 9.399 -3.356 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.252 -4.631 9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.895 -2.942 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.772 -4.238 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.946 -5.769 8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.421 -5.422 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.635 -4.910 7.361 1.00 0.00 H new ATOM 177 N VAL A 220 4.293 -2.018 8.212 1.00 0.00 N ATOM 178 CA VAL A 220 3.180 -1.139 8.551 1.00 0.00 C ATOM 179 C VAL A 220 2.998 -1.083 10.062 1.00 0.00 C ATOM 180 O VAL A 220 2.627 -2.075 10.693 1.00 0.00 O ATOM 181 CB VAL A 220 1.852 -1.577 7.884 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.263 -0.436 7.068 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.051 -2.811 7.015 1.00 0.00 C ATOM 0 H VAL A 220 4.032 -2.990 8.044 1.00 0.00 H new ATOM 0 HA VAL A 220 3.429 -0.150 8.167 1.00 0.00 H new ATOM 0 HB VAL A 220 1.149 -1.837 8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.331 -0.762 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.067 0.415 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.969 -0.142 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.101 -3.093 6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.776 -2.591 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.418 -3.633 7.629 1.00 0.00 H new ATOM 193 N GLY A 221 3.278 0.081 10.637 1.00 0.00 N ATOM 194 CA GLY A 221 3.155 0.249 12.071 1.00 0.00 C ATOM 195 C GLY A 221 4.414 -0.166 12.816 1.00 0.00 C ATOM 196 O GLY A 221 4.516 0.027 14.027 1.00 0.00 O ATOM 0 H GLY A 221 3.588 0.912 10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.932 1.293 12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.312 -0.341 12.432 1.00 0.00 H new ATOM 200 N GLY A 222 5.375 -0.736 12.089 1.00 0.00 N ATOM 201 CA GLY A 222 6.618 -1.168 12.706 1.00 0.00 C ATOM 202 C GLY A 222 6.561 -2.600 13.200 1.00 0.00 C ATOM 203 O GLY A 222 7.589 -3.267 13.308 1.00 0.00 O ATOM 0 H GLY A 222 5.314 -0.906 11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.430 -1.069 11.985 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.852 -0.509 13.542 1.00 0.00 H new ATOM 207 N THR A 223 5.357 -3.074 13.502 1.00 0.00 N ATOM 208 CA THR A 223 5.173 -4.434 13.987 1.00 0.00 C ATOM 209 C THR A 223 4.711 -5.353 12.862 1.00 0.00 C ATOM 210 O THR A 223 4.974 -6.555 12.880 1.00 0.00 O ATOM 211 CB THR A 223 4.156 -4.452 15.128 1.00 0.00 C ATOM 212 OG1 THR A 223 2.961 -3.794 14.745 1.00 0.00 O ATOM 213 CG2 THR A 223 4.664 -3.783 16.386 1.00 0.00 C ATOM 0 H THR A 223 4.495 -2.535 13.419 1.00 0.00 H new ATOM 0 HA THR A 223 6.132 -4.798 14.357 1.00 0.00 H new ATOM 0 HB THR A 223 3.975 -5.506 15.340 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.322 -3.818 15.488 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.896 -3.829 17.158 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.560 -4.296 16.735 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.902 -2.741 16.173 1.00 0.00 H new ATOM 221 N LYS A 224 4.015 -4.779 11.886 1.00 0.00 N ATOM 222 CA LYS A 224 3.513 -5.548 10.755 1.00 0.00 C ATOM 223 C LYS A 224 4.419 -5.377 9.540 1.00 0.00 C ATOM 224 O LYS A 224 5.007 -4.315 9.341 1.00 0.00 O ATOM 225 CB LYS A 224 2.086 -5.112 10.407 1.00 0.00 C ATOM 226 CG LYS A 224 1.227 -4.785 11.620 1.00 0.00 C ATOM 227 CD LYS A 224 0.610 -6.039 12.221 1.00 0.00 C ATOM 228 CE LYS A 224 1.624 -6.825 13.033 1.00 0.00 C ATOM 229 NZ LYS A 224 1.015 -7.424 14.253 1.00 0.00 N ATOM 0 H LYS A 224 3.786 -3.785 11.856 1.00 0.00 H new ATOM 0 HA LYS A 224 3.505 -6.601 11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.132 -4.236 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.604 -5.905 9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.834 -4.281 12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.437 -4.092 11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.231 -5.763 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.214 -6.669 11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 224 2.050 -7.615 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.445 -6.169 13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.740 -7.952 14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.631 -6.669 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.248 -8.070 13.977 1.00 0.00 H new ATOM 243 N ALA A 225 4.526 -6.427 8.731 1.00 0.00 N ATOM 244 CA ALA A 225 5.360 -6.385 7.534 1.00 0.00 C ATOM 245 C ALA A 225 4.529 -6.611 6.282 1.00 0.00 C ATOM 246 O ALA A 225 3.598 -7.415 6.282 1.00 0.00 O ATOM 247 CB ALA A 225 6.468 -7.422 7.620 1.00 0.00 C ATOM 0 H ALA A 225 4.047 -7.315 8.882 1.00 0.00 H new ATOM 0 HA ALA A 225 5.809 -5.394 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.080 -7.376 6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.090 -7.218 8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 225 6.030 -8.416 7.711 1.00 0.00 H new ATOM 253 N GLY A 226 4.871 -5.900 5.213 1.00 0.00 N ATOM 254 CA GLY A 226 4.140 -6.046 3.970 1.00 0.00 C ATOM 255 C GLY A 226 4.784 -5.304 2.816 1.00 0.00 C ATOM 256 O GLY A 226 5.926 -4.854 2.915 1.00 0.00 O ATOM 0 H GLY A 226 5.638 -5.228 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.067 -7.104 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.122 -5.680 4.108 1.00 0.00 H new ATOM 260 N VAL A 227 4.047 -5.180 1.718 1.00 0.00 N ATOM 261 CA VAL A 227 4.540 -4.493 0.531 1.00 0.00 C ATOM 262 C VAL A 227 3.659 -3.296 0.185 1.00 0.00 C ATOM 263 O VAL A 227 2.434 -3.410 0.136 1.00 0.00 O ATOM 264 CB VAL A 227 4.599 -5.449 -0.680 1.00 0.00 C ATOM 265 CG1 VAL A 227 4.912 -4.689 -1.962 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.623 -6.547 -0.441 1.00 0.00 C ATOM 0 H VAL A 227 3.101 -5.549 1.626 1.00 0.00 H new ATOM 0 HA VAL A 227 5.547 -4.142 0.757 1.00 0.00 H new ATOM 0 HB VAL A 227 3.619 -5.911 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 227 4.948 -5.386 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.136 -3.945 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.877 -4.191 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.652 -7.212 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.607 -6.101 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.346 -7.116 0.446 1.00 0.00 H new ATOM 276 N VAL A 228 4.286 -2.154 -0.068 1.00 0.00 N ATOM 277 CA VAL A 228 3.552 -0.946 -0.420 1.00 0.00 C ATOM 278 C VAL A 228 2.745 -1.163 -1.694 1.00 0.00 C ATOM 279 O VAL A 228 3.250 -1.711 -2.674 1.00 0.00 O ATOM 280 CB VAL A 228 4.499 0.252 -0.614 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.705 1.534 -0.820 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.441 0.382 0.575 1.00 0.00 C ATOM 0 H VAL A 228 5.299 -2.039 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 228 2.876 -0.724 0.406 1.00 0.00 H new ATOM 0 HB VAL A 228 5.099 0.079 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.392 2.370 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.076 1.434 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.078 1.718 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.104 1.234 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.860 0.533 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.034 -0.527 0.670 1.00 0.00 H new ATOM 292 N ARG A 229 1.485 -0.747 -1.672 1.00 0.00 N ATOM 293 CA ARG A 229 0.609 -0.915 -2.824 1.00 0.00 C ATOM 294 C ARG A 229 0.079 0.427 -3.320 1.00 0.00 C ATOM 295 O ARG A 229 0.069 0.695 -4.522 1.00 0.00 O ATOM 296 CB ARG A 229 -0.552 -1.841 -2.458 1.00 0.00 C ATOM 297 CG ARG A 229 -0.102 -3.185 -1.912 1.00 0.00 C ATOM 298 CD ARG A 229 0.880 -3.868 -2.853 1.00 0.00 C ATOM 299 NE ARG A 229 0.556 -5.278 -3.052 1.00 0.00 N ATOM 300 CZ ARG A 229 0.840 -5.960 -4.160 1.00 0.00 C ATOM 301 NH1 ARG A 229 1.471 -5.372 -5.170 1.00 0.00 N ATOM 302 NH2 ARG A 229 0.499 -7.238 -4.256 1.00 0.00 N ATOM 0 H ARG A 229 1.048 -0.292 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 229 1.188 -1.362 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.181 -1.348 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.169 -2.004 -3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.364 -3.045 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.970 -3.827 -1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 229 0.876 -3.356 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.889 -3.781 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 229 0.083 -5.771 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 229 1.742 -4.391 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 229 1.685 -5.901 -6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 229 0.020 -7.698 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 229 0.716 -7.761 -5.104 1.00 0.00 H new ATOM 316 N PHE A 230 -0.358 1.268 -2.391 1.00 0.00 N ATOM 317 CA PHE A 230 -0.886 2.583 -2.738 1.00 0.00 C ATOM 318 C PHE A 230 -0.538 3.604 -1.662 1.00 0.00 C ATOM 319 O PHE A 230 -0.503 3.278 -0.480 1.00 0.00 O ATOM 320 CB PHE A 230 -2.403 2.512 -2.925 1.00 0.00 C ATOM 321 CG PHE A 230 -2.988 3.739 -3.568 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.874 3.942 -4.935 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.653 4.685 -2.807 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.412 5.068 -5.528 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.194 5.814 -3.395 1.00 0.00 C ATOM 326 CZ PHE A 230 -4.072 6.005 -4.758 1.00 0.00 C ATOM 0 H PHE A 230 -0.358 1.064 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.429 2.900 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.645 1.642 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.874 2.361 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.359 3.212 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.751 4.540 -1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.316 5.215 -6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.711 6.545 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.492 6.886 -5.220 1.00 0.00 H new ATOM 336 N LEU A 231 -0.281 4.840 -2.071 1.00 0.00 N ATOM 337 CA LEU A 231 0.063 5.894 -1.124 1.00 0.00 C ATOM 338 C LEU A 231 -0.789 7.138 -1.355 1.00 0.00 C ATOM 339 O LEU A 231 -0.796 7.706 -2.448 1.00 0.00 O ATOM 340 CB LEU A 231 1.549 6.248 -1.232 1.00 0.00 C ATOM 341 CG LEU A 231 2.501 5.047 -1.241 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.200 4.926 -2.586 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.521 5.166 -0.120 1.00 0.00 C ATOM 0 H LEU A 231 -0.304 5.137 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.140 5.521 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.705 6.823 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.814 6.897 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 231 1.913 4.144 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.871 4.067 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.456 4.792 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.774 5.832 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.188 4.304 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.102 6.079 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.005 5.200 0.839 1.00 0.00 H new ATOM 355 N GLY A 232 -1.507 7.550 -0.317 1.00 0.00 N ATOM 356 CA GLY A 232 -2.357 8.722 -0.419 1.00 0.00 C ATOM 357 C GLY A 232 -3.244 8.899 0.797 1.00 0.00 C ATOM 358 O GLY A 232 -3.089 8.192 1.793 1.00 0.00 O ATOM 0 H GLY A 232 -1.516 7.093 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.735 9.609 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.979 8.640 -1.310 1.00 0.00 H new ATOM 362 N GLU A 233 -4.175 9.843 0.719 1.00 0.00 N ATOM 363 CA GLU A 233 -5.088 10.110 1.824 1.00 0.00 C ATOM 364 C GLU A 233 -6.226 9.095 1.847 1.00 0.00 C ATOM 365 O GLU A 233 -6.511 8.443 0.843 1.00 0.00 O ATOM 366 CB GLU A 233 -5.653 11.527 1.716 1.00 0.00 C ATOM 367 CG GLU A 233 -4.596 12.582 1.433 1.00 0.00 C ATOM 368 CD GLU A 233 -5.179 13.977 1.334 1.00 0.00 C ATOM 369 OE1 GLU A 233 -6.047 14.320 2.165 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.769 14.730 0.425 1.00 0.00 O ATOM 0 H GLU A 233 -4.317 10.436 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.528 10.021 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.401 11.552 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.165 11.777 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -3.846 12.561 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.085 12.339 0.502 1.00 0.00 H new ATOM 377 N THR A 234 -6.875 8.966 3.002 1.00 0.00 N ATOM 378 CA THR A 234 -7.982 8.030 3.157 1.00 0.00 C ATOM 379 C THR A 234 -9.311 8.772 3.252 1.00 0.00 C ATOM 380 O THR A 234 -9.348 9.963 3.555 1.00 0.00 O ATOM 381 CB THR A 234 -7.777 7.166 4.402 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.919 7.942 5.580 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.418 6.501 4.453 1.00 0.00 C ATOM 0 H THR A 234 -6.652 9.498 3.843 1.00 0.00 H new ATOM 0 HA THR A 234 -8.007 7.386 2.278 1.00 0.00 H new ATOM 0 HB THR A 234 -8.541 6.391 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.793 8.890 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.339 5.904 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.296 5.856 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.639 7.264 4.452 1.00 0.00 H new ATOM 391 N ASP A 235 -10.401 8.057 2.990 1.00 0.00 N ATOM 392 CA ASP A 235 -11.733 8.647 3.045 1.00 0.00 C ATOM 393 C ASP A 235 -12.292 8.632 4.469 1.00 0.00 C ATOM 394 O ASP A 235 -13.376 9.156 4.722 1.00 0.00 O ATOM 395 CB ASP A 235 -12.683 7.899 2.107 1.00 0.00 C ATOM 396 CG ASP A 235 -12.797 8.565 0.750 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.246 9.730 0.697 1.00 0.00 O ATOM 398 OD2 ASP A 235 -12.438 7.924 -0.259 1.00 0.00 O ATOM 0 H ASP A 235 -10.387 7.069 2.738 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.650 9.685 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.331 6.875 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.671 7.841 2.565 1.00 0.00 H new ATOM 403 N PHE A 236 -11.551 8.030 5.397 1.00 0.00 N ATOM 404 CA PHE A 236 -11.989 7.954 6.787 1.00 0.00 C ATOM 405 C PHE A 236 -10.970 8.597 7.731 1.00 0.00 C ATOM 406 O PHE A 236 -11.289 8.907 8.879 1.00 0.00 O ATOM 407 CB PHE A 236 -12.233 6.494 7.193 1.00 0.00 C ATOM 408 CG PHE A 236 -10.982 5.741 7.563 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.966 5.554 6.641 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.827 5.222 8.839 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.817 4.865 6.982 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.682 4.530 9.187 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.676 4.351 8.257 1.00 0.00 C ATOM 0 H PHE A 236 -10.649 7.590 5.212 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.924 8.509 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.920 6.473 8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.725 5.977 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.073 5.952 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.610 5.360 9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.031 4.729 6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.574 4.130 10.184 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.781 3.810 8.526 1.00 0.00 H new ATOM 423 N ALA A 237 -9.746 8.794 7.247 1.00 0.00 N ATOM 424 CA ALA A 237 -8.695 9.394 8.056 1.00 0.00 C ATOM 425 C ALA A 237 -8.170 10.677 7.421 1.00 0.00 C ATOM 426 O ALA A 237 -8.026 10.764 6.201 1.00 0.00 O ATOM 427 CB ALA A 237 -7.557 8.404 8.263 1.00 0.00 C ATOM 0 H ALA A 237 -9.460 8.546 6.300 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.123 9.650 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.778 8.866 8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.934 7.517 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.142 8.119 7.296 1.00 0.00 H new ATOM 433 N LYS A 238 -7.885 11.671 8.256 1.00 0.00 N ATOM 434 CA LYS A 238 -7.373 12.950 7.776 1.00 0.00 C ATOM 435 C LYS A 238 -5.849 12.936 7.711 1.00 0.00 C ATOM 436 O LYS A 238 -5.180 12.552 8.672 1.00 0.00 O ATOM 437 CB LYS A 238 -7.846 14.085 8.685 1.00 0.00 C ATOM 438 CG LYS A 238 -7.471 13.890 10.146 1.00 0.00 C ATOM 439 CD LYS A 238 -6.474 14.939 10.614 1.00 0.00 C ATOM 440 CE LYS A 238 -6.155 14.786 12.093 1.00 0.00 C ATOM 441 NZ LYS A 238 -4.708 14.997 12.376 1.00 0.00 N ATOM 0 H LYS A 238 -8.000 11.616 9.268 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.760 13.114 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.420 15.024 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.929 14.176 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -8.369 13.940 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -7.045 12.896 10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -5.556 14.855 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -6.878 15.934 10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -6.745 15.501 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -6.448 13.790 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -4.533 14.884 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -4.146 14.299 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -4.433 15.956 12.082 1.00 0.00 H new ATOM 455 N GLY A 239 -5.304 13.353 6.572 1.00 0.00 N ATOM 456 CA GLY A 239 -3.863 13.380 6.404 1.00 0.00 C ATOM 457 C GLY A 239 -3.386 12.426 5.327 1.00 0.00 C ATOM 458 O GLY A 239 -4.183 11.935 4.526 1.00 0.00 O ATOM 0 H GLY A 239 -5.835 13.673 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.549 14.393 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.385 13.123 7.350 1.00 0.00 H new ATOM 462 N GLU A 240 -2.084 12.161 5.307 1.00 0.00 N ATOM 463 CA GLU A 240 -1.504 11.258 4.320 1.00 0.00 C ATOM 464 C GLU A 240 -1.371 9.846 4.882 1.00 0.00 C ATOM 465 O GLU A 240 -0.918 9.658 6.011 1.00 0.00 O ATOM 466 CB GLU A 240 -0.133 11.772 3.873 1.00 0.00 C ATOM 467 CG GLU A 240 0.843 11.976 5.019 1.00 0.00 C ATOM 468 CD GLU A 240 2.286 12.032 4.554 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.511 12.297 3.355 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.188 11.812 5.388 1.00 0.00 O ATOM 0 H GLU A 240 -1.411 12.558 5.962 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.172 11.224 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.296 11.066 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.263 12.717 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.597 12.901 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.728 11.165 5.738 1.00 0.00 H new ATOM 477 N TRP A 241 -1.773 8.858 4.091 1.00 0.00 N ATOM 478 CA TRP A 241 -1.700 7.464 4.512 1.00 0.00 C ATOM 479 C TRP A 241 -1.082 6.596 3.421 1.00 0.00 C ATOM 480 O TRP A 241 -0.934 7.030 2.278 1.00 0.00 O ATOM 481 CB TRP A 241 -3.094 6.945 4.866 1.00 0.00 C ATOM 482 CG TRP A 241 -3.675 7.597 6.084 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.133 8.879 6.189 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.855 6.998 7.373 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.589 9.113 7.463 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.429 7.975 8.210 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.588 5.732 7.900 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.738 7.723 9.544 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.896 5.484 9.224 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.466 6.475 10.033 1.00 0.00 C ATOM 0 H TRP A 241 -2.153 8.996 3.155 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.064 7.410 5.395 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.762 7.110 4.020 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.044 5.868 5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.136 9.603 5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.983 9.992 7.799 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.149 4.961 7.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.177 8.486 10.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.694 4.509 9.642 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.695 6.249 11.064 1.00 0.00 H new ATOM 501 N CYS A 242 -0.724 5.367 3.779 1.00 0.00 N ATOM 502 CA CYS A 242 -0.121 4.439 2.829 1.00 0.00 C ATOM 503 C CYS A 242 -0.737 3.048 2.954 1.00 0.00 C ATOM 504 O CYS A 242 -1.267 2.681 4.002 1.00 0.00 O ATOM 505 CB CYS A 242 1.394 4.368 3.041 1.00 0.00 C ATOM 506 SG CYS A 242 2.238 3.163 1.990 1.00 0.00 S ATOM 0 H CYS A 242 -0.841 4.991 4.720 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.320 4.810 1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.821 5.354 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.592 4.124 4.085 1.00 0.00 H new ATOM 0 HG CYS A 242 3.513 3.183 2.245 1.00 0.00 H new ATOM 512 N GLY A 243 -0.656 2.283 1.872 1.00 0.00 N ATOM 513 CA GLY A 243 -1.201 0.940 1.858 1.00 0.00 C ATOM 514 C GLY A 243 -0.122 -0.113 1.708 1.00 0.00 C ATOM 515 O GLY A 243 0.686 -0.051 0.783 1.00 0.00 O ATOM 0 H GLY A 243 -0.219 2.573 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.753 0.764 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.914 0.847 1.038 1.00 0.00 H new ATOM 519 N VAL A 244 -0.103 -1.076 2.621 1.00 0.00 N ATOM 520 CA VAL A 244 0.892 -2.140 2.580 1.00 0.00 C ATOM 521 C VAL A 244 0.237 -3.513 2.680 1.00 0.00 C ATOM 522 O VAL A 244 -0.593 -3.753 3.556 1.00 0.00 O ATOM 523 CB VAL A 244 1.920 -1.996 3.723 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.142 -2.858 3.459 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.322 -0.540 3.914 1.00 0.00 C ATOM 0 H VAL A 244 -0.763 -1.142 3.396 1.00 0.00 H new ATOM 0 HA VAL A 244 1.405 -2.051 1.622 1.00 0.00 H new ATOM 0 HB VAL A 244 1.450 -2.341 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.853 -2.741 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.841 -3.903 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.610 -2.549 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.047 -0.466 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.767 -0.162 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.440 0.052 4.160 1.00 0.00 H new ATOM 535 N GLU A 245 0.623 -4.414 1.784 1.00 0.00 N ATOM 536 CA GLU A 245 0.085 -5.767 1.779 1.00 0.00 C ATOM 537 C GLU A 245 0.861 -6.637 2.759 1.00 0.00 C ATOM 538 O GLU A 245 2.039 -6.921 2.552 1.00 0.00 O ATOM 539 CB GLU A 245 0.159 -6.368 0.373 1.00 0.00 C ATOM 540 CG GLU A 245 -0.391 -7.781 0.285 1.00 0.00 C ATOM 541 CD GLU A 245 -1.068 -8.062 -1.042 1.00 0.00 C ATOM 542 OE1 GLU A 245 -0.806 -7.320 -2.011 1.00 0.00 O ATOM 543 OE2 GLU A 245 -1.861 -9.025 -1.112 1.00 0.00 O ATOM 0 H GLU A 245 1.308 -4.230 1.051 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.960 -5.728 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.393 -5.729 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.198 -6.370 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.421 -8.493 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.105 -7.940 1.093 1.00 0.00 H new ATOM 550 N LEU A 246 0.200 -7.040 3.837 1.00 0.00 N ATOM 551 CA LEU A 246 0.839 -7.855 4.861 1.00 0.00 C ATOM 552 C LEU A 246 1.181 -9.245 4.337 1.00 0.00 C ATOM 553 O LEU A 246 0.564 -9.737 3.391 1.00 0.00 O ATOM 554 CB LEU A 246 -0.064 -7.970 6.089 1.00 0.00 C ATOM 555 CG LEU A 246 -0.450 -6.637 6.736 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.609 -6.829 7.702 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.747 -6.027 7.447 1.00 0.00 C ATOM 0 H LEU A 246 -0.777 -6.816 4.024 1.00 0.00 H new ATOM 0 HA LEU A 246 1.769 -7.361 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -0.975 -8.495 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.439 -8.586 6.834 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.770 -5.951 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.870 -5.871 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.471 -7.223 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.318 -7.531 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.456 -5.080 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.097 -6.709 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.548 -5.854 6.728 1.00 0.00 H new ATOM 569 N ASP A 247 2.175 -9.868 4.961 1.00 0.00 N ATOM 570 CA ASP A 247 2.616 -11.201 4.569 1.00 0.00 C ATOM 571 C ASP A 247 1.674 -12.273 5.110 1.00 0.00 C ATOM 572 O ASP A 247 1.541 -13.348 4.526 1.00 0.00 O ATOM 573 CB ASP A 247 4.041 -11.447 5.070 1.00 0.00 C ATOM 574 CG ASP A 247 5.087 -10.814 4.174 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.398 -11.403 3.117 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.594 -9.729 4.527 1.00 0.00 O ATOM 0 H ASP A 247 2.692 -9.468 5.744 1.00 0.00 H new ATOM 0 HA ASP A 247 2.603 -11.260 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.142 -11.048 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.221 -12.520 5.132 1.00 0.00 H new ATOM 581 N GLU A 248 1.020 -11.972 6.229 1.00 0.00 N ATOM 582 CA GLU A 248 0.088 -12.909 6.846 1.00 0.00 C ATOM 583 C GLU A 248 -1.197 -12.198 7.264 1.00 0.00 C ATOM 584 O GLU A 248 -1.274 -10.971 7.225 1.00 0.00 O ATOM 585 CB GLU A 248 0.735 -13.580 8.062 1.00 0.00 C ATOM 586 CG GLU A 248 1.415 -14.898 7.738 1.00 0.00 C ATOM 587 CD GLU A 248 1.187 -15.951 8.805 1.00 0.00 C ATOM 588 OE1 GLU A 248 1.132 -15.583 9.998 1.00 0.00 O ATOM 589 OE2 GLU A 248 1.061 -17.141 8.447 1.00 0.00 O ATOM 0 H GLU A 248 1.119 -11.087 6.726 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.163 -13.674 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.468 -12.899 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 248 -0.028 -13.751 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 248 1.044 -15.268 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 248 2.486 -14.731 7.621 1.00 0.00 H new ATOM 596 N PRO A 249 -2.226 -12.963 7.671 1.00 0.00 N ATOM 597 CA PRO A 249 -3.511 -12.397 8.096 1.00 0.00 C ATOM 598 C PRO A 249 -3.378 -11.560 9.366 1.00 0.00 C ATOM 599 O PRO A 249 -3.855 -11.945 10.433 1.00 0.00 O ATOM 600 CB PRO A 249 -4.394 -13.629 8.357 1.00 0.00 C ATOM 601 CG PRO A 249 -3.683 -14.775 7.717 1.00 0.00 C ATOM 602 CD PRO A 249 -2.222 -14.431 7.747 1.00 0.00 C ATOM 0 HA PRO A 249 -3.922 -11.723 7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.526 -13.797 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -5.388 -13.496 7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.876 -15.703 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -4.027 -14.924 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.742 -14.787 8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -1.685 -14.877 6.910 1.00 0.00 H new ATOM 610 N LEU A 250 -2.721 -10.410 9.243 1.00 0.00 N ATOM 611 CA LEU A 250 -2.520 -9.517 10.378 1.00 0.00 C ATOM 612 C LEU A 250 -3.007 -8.106 10.065 1.00 0.00 C ATOM 613 O LEU A 250 -2.536 -7.132 10.652 1.00 0.00 O ATOM 614 CB LEU A 250 -1.041 -9.483 10.773 1.00 0.00 C ATOM 615 CG LEU A 250 -0.054 -9.486 9.601 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.890 -8.297 9.690 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.733 -10.788 9.566 1.00 0.00 C ATOM 0 H LEU A 250 -2.319 -10.075 8.367 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.105 -9.902 11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.862 -8.592 11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.831 -10.344 11.407 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.625 -9.403 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.582 -8.318 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.314 -7.372 9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.451 -8.347 10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.428 -10.770 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.290 -10.902 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.045 -11.626 9.450 1.00 0.00 H new ATOM 629 N GLY A 251 -3.953 -8.000 9.136 1.00 0.00 N ATOM 630 CA GLY A 251 -4.485 -6.701 8.766 1.00 0.00 C ATOM 631 C GLY A 251 -5.909 -6.504 9.247 1.00 0.00 C ATOM 632 O GLY A 251 -6.440 -7.334 9.986 1.00 0.00 O ATOM 0 H GLY A 251 -4.360 -8.789 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.851 -5.919 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.452 -6.593 7.682 1.00 0.00 H new ATOM 636 N LYS A 252 -6.529 -5.404 8.835 1.00 0.00 N ATOM 637 CA LYS A 252 -7.900 -5.104 9.236 1.00 0.00 C ATOM 638 C LYS A 252 -8.842 -5.110 8.036 1.00 0.00 C ATOM 639 O LYS A 252 -10.019 -5.446 8.163 1.00 0.00 O ATOM 640 CB LYS A 252 -7.962 -3.747 9.939 1.00 0.00 C ATOM 641 CG LYS A 252 -6.842 -3.527 10.941 1.00 0.00 C ATOM 642 CD LYS A 252 -7.086 -4.300 12.227 1.00 0.00 C ATOM 643 CE LYS A 252 -5.786 -4.581 12.964 1.00 0.00 C ATOM 644 NZ LYS A 252 -6.011 -5.372 14.206 1.00 0.00 N ATOM 0 H LYS A 252 -6.105 -4.705 8.224 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.223 -5.882 9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.927 -2.957 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.919 -3.657 10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.894 -3.838 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.756 -2.464 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.756 -3.732 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.586 -5.241 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -5.106 -5.123 12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.301 -3.638 13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -5.101 -5.542 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.639 -4.844 14.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.450 -6.283 13.963 1.00 0.00 H new ATOM 658 N ASN A 253 -8.320 -4.736 6.870 1.00 0.00 N ATOM 659 CA ASN A 253 -9.124 -4.699 5.652 1.00 0.00 C ATOM 660 C ASN A 253 -8.507 -5.570 4.563 1.00 0.00 C ATOM 661 O ASN A 253 -7.350 -5.980 4.659 1.00 0.00 O ATOM 662 CB ASN A 253 -9.266 -3.259 5.154 1.00 0.00 C ATOM 663 CG ASN A 253 -7.944 -2.664 4.709 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.695 -2.499 3.516 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.089 -2.340 5.671 1.00 0.00 N ATOM 0 H ASN A 253 -7.348 -4.455 6.744 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.112 -5.094 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -9.970 -3.234 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.688 -2.644 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.183 -1.936 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.338 -2.495 6.648 1.00 0.00 H new ATOM 672 N ASP A 254 -9.290 -5.849 3.526 1.00 0.00 N ATOM 673 CA ASP A 254 -8.828 -6.671 2.414 1.00 0.00 C ATOM 674 C ASP A 254 -8.354 -5.803 1.251 1.00 0.00 C ATOM 675 O ASP A 254 -8.369 -6.234 0.097 1.00 0.00 O ATOM 676 CB ASP A 254 -9.941 -7.609 1.948 1.00 0.00 C ATOM 677 CG ASP A 254 -11.138 -6.861 1.396 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.946 -6.354 2.201 1.00 0.00 O ATOM 679 OD2 ASP A 254 -11.268 -6.781 0.156 1.00 0.00 O ATOM 0 H ASP A 254 -10.250 -5.517 3.433 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.984 -7.267 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.550 -8.279 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.260 -8.232 2.783 1.00 0.00 H new ATOM 684 N GLY A 255 -7.929 -4.580 1.559 1.00 0.00 N ATOM 685 CA GLY A 255 -7.453 -3.677 0.526 1.00 0.00 C ATOM 686 C GLY A 255 -8.435 -2.560 0.222 1.00 0.00 C ATOM 687 O GLY A 255 -8.303 -1.872 -0.791 1.00 0.00 O ATOM 0 H GLY A 255 -7.906 -4.199 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.503 -3.244 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.261 -4.244 -0.385 1.00 0.00 H new ATOM 691 N ALA A 256 -9.418 -2.374 1.097 1.00 0.00 N ATOM 692 CA ALA A 256 -10.419 -1.329 0.908 1.00 0.00 C ATOM 693 C ALA A 256 -10.727 -0.619 2.222 1.00 0.00 C ATOM 694 O ALA A 256 -10.479 -1.155 3.302 1.00 0.00 O ATOM 695 CB ALA A 256 -11.687 -1.917 0.307 1.00 0.00 C ATOM 0 H ALA A 256 -9.543 -2.931 1.942 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.014 -0.590 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.426 -1.127 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.457 -2.368 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.088 -2.678 0.977 1.00 0.00 H new ATOM 701 N VAL A 257 -11.267 0.592 2.121 1.00 0.00 N ATOM 702 CA VAL A 257 -11.608 1.379 3.301 1.00 0.00 C ATOM 703 C VAL A 257 -12.903 2.155 3.090 1.00 0.00 C ATOM 704 O VAL A 257 -13.020 2.949 2.158 1.00 0.00 O ATOM 705 CB VAL A 257 -10.480 2.368 3.659 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.808 3.119 4.941 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.150 1.637 3.785 1.00 0.00 C ATOM 0 H VAL A 257 -11.478 1.049 1.234 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.741 0.676 4.124 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.394 3.097 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.999 3.811 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.735 3.676 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.925 2.408 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.365 2.350 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.222 0.883 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.909 1.154 2.838 1.00 0.00 H new ATOM 717 N ALA A 258 -13.877 1.920 3.967 1.00 0.00 N ATOM 718 CA ALA A 258 -15.166 2.599 3.880 1.00 0.00 C ATOM 719 C ALA A 258 -15.823 2.371 2.523 1.00 0.00 C ATOM 720 O ALA A 258 -16.616 3.193 2.061 1.00 0.00 O ATOM 721 CB ALA A 258 -14.996 4.088 4.141 1.00 0.00 C ATOM 0 H ALA A 258 -13.797 1.265 4.745 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.820 2.177 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.965 4.582 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.581 4.238 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.319 4.512 3.399 1.00 0.00 H new ATOM 727 N GLY A 259 -15.488 1.253 1.886 1.00 0.00 N ATOM 728 CA GLY A 259 -16.055 0.942 0.587 1.00 0.00 C ATOM 729 C GLY A 259 -15.200 1.448 -0.560 1.00 0.00 C ATOM 730 O GLY A 259 -15.636 1.451 -1.712 1.00 0.00 O ATOM 0 H GLY A 259 -14.834 0.558 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.176 -0.138 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.050 1.381 0.515 1.00 0.00 H new ATOM 734 N THR A 260 -13.978 1.875 -0.250 1.00 0.00 N ATOM 735 CA THR A 260 -13.065 2.383 -1.266 1.00 0.00 C ATOM 736 C THR A 260 -11.820 1.506 -1.358 1.00 0.00 C ATOM 737 O THR A 260 -11.024 1.440 -0.423 1.00 0.00 O ATOM 738 CB THR A 260 -12.666 3.824 -0.948 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.770 4.548 -0.435 1.00 0.00 O ATOM 740 CG2 THR A 260 -12.139 4.579 -2.150 1.00 0.00 C ATOM 0 H THR A 260 -13.599 1.879 0.697 1.00 0.00 H new ATOM 0 HA THR A 260 -13.578 2.361 -2.228 1.00 0.00 H new ATOM 0 HB THR A 260 -11.867 3.747 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.920 4.296 0.500 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.874 5.594 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.256 4.073 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.907 4.614 -2.923 1.00 0.00 H new ATOM 748 N ARG A 261 -11.657 0.835 -2.494 1.00 0.00 N ATOM 749 CA ARG A 261 -10.509 -0.038 -2.705 1.00 0.00 C ATOM 750 C ARG A 261 -9.329 0.745 -3.270 1.00 0.00 C ATOM 751 O ARG A 261 -9.375 1.230 -4.400 1.00 0.00 O ATOM 752 CB ARG A 261 -10.878 -1.182 -3.651 1.00 0.00 C ATOM 753 CG ARG A 261 -9.821 -2.270 -3.729 1.00 0.00 C ATOM 754 CD ARG A 261 -9.712 -2.838 -5.135 1.00 0.00 C ATOM 755 NE ARG A 261 -11.012 -3.237 -5.667 1.00 0.00 N ATOM 756 CZ ARG A 261 -11.168 -4.008 -6.741 1.00 0.00 C ATOM 757 NH1 ARG A 261 -10.109 -4.464 -7.399 1.00 0.00 N ATOM 758 NH2 ARG A 261 -12.386 -4.324 -7.158 1.00 0.00 N ATOM 0 H ARG A 261 -12.304 0.879 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.218 -0.454 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.819 -1.624 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.046 -0.777 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.856 -1.865 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -10.067 -3.069 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.264 -2.093 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -9.044 -3.699 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 261 -11.849 -2.906 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -9.170 -4.224 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -10.235 -5.054 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -13.203 -3.976 -6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -12.506 -4.915 -7.981 1.00 0.00 H new ATOM 772 N TYR A 262 -8.270 0.864 -2.475 1.00 0.00 N ATOM 773 CA TYR A 262 -7.076 1.589 -2.895 1.00 0.00 C ATOM 774 C TYR A 262 -6.118 0.667 -3.645 1.00 0.00 C ATOM 775 O TYR A 262 -5.392 1.106 -4.537 1.00 0.00 O ATOM 776 CB TYR A 262 -6.374 2.200 -1.682 1.00 0.00 C ATOM 777 CG TYR A 262 -7.155 3.322 -1.034 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.238 3.053 -0.207 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.808 4.649 -1.251 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.956 4.076 0.385 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.519 5.679 -0.662 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.591 5.386 0.155 1.00 0.00 C ATOM 783 OH TYR A 262 -9.303 6.407 0.742 1.00 0.00 O ATOM 0 H TYR A 262 -8.215 0.468 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.382 2.390 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.196 1.418 -0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.398 2.577 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.524 2.028 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -5.969 4.881 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.797 3.850 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.237 6.706 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.235 6.128 0.864 1.00 0.00 H new ATOM 793 N PHE A 263 -6.125 -0.609 -3.278 1.00 0.00 N ATOM 794 CA PHE A 263 -5.260 -1.593 -3.916 1.00 0.00 C ATOM 795 C PHE A 263 -5.822 -3.002 -3.748 1.00 0.00 C ATOM 796 O PHE A 263 -6.818 -3.201 -3.052 1.00 0.00 O ATOM 797 CB PHE A 263 -3.847 -1.522 -3.333 1.00 0.00 C ATOM 798 CG PHE A 263 -3.820 -1.429 -1.833 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.010 -0.213 -1.199 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.601 -2.559 -1.060 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.986 -0.124 0.178 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.574 -2.475 0.319 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.766 -1.256 0.940 1.00 0.00 C ATOM 0 H PHE A 263 -6.721 -0.986 -2.541 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.216 -1.362 -4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.290 -2.405 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.333 -0.657 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.179 0.676 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.450 -3.514 -1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.139 0.830 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.403 -3.362 0.911 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.744 -1.188 2.018 1.00 0.00 H new ATOM 813 N GLN A 264 -5.180 -3.973 -4.389 1.00 0.00 N ATOM 814 CA GLN A 264 -5.620 -5.360 -4.309 1.00 0.00 C ATOM 815 C GLN A 264 -4.702 -6.169 -3.397 1.00 0.00 C ATOM 816 O GLN A 264 -3.487 -6.188 -3.583 1.00 0.00 O ATOM 817 CB GLN A 264 -5.656 -5.989 -5.702 1.00 0.00 C ATOM 818 CG GLN A 264 -6.345 -7.343 -5.740 1.00 0.00 C ATOM 819 CD GLN A 264 -7.857 -7.228 -5.789 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.436 -6.953 -6.840 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.503 -7.437 -4.648 1.00 0.00 N ATOM 0 H GLN A 264 -4.354 -3.825 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.625 -5.372 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.168 -5.311 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.635 -6.100 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -5.998 -7.898 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.057 -7.918 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -7.982 -7.663 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.521 -7.372 -4.619 1.00 0.00 H new ATOM 830 N CYS A 265 -5.294 -6.836 -2.412 1.00 0.00 N ATOM 831 CA CYS A 265 -4.530 -7.647 -1.472 1.00 0.00 C ATOM 832 C CYS A 265 -5.392 -8.760 -0.885 1.00 0.00 C ATOM 833 O CYS A 265 -6.620 -8.672 -0.878 1.00 0.00 O ATOM 834 CB CYS A 265 -3.970 -6.772 -0.349 1.00 0.00 C ATOM 835 SG CYS A 265 -5.235 -5.953 0.649 1.00 0.00 S ATOM 0 H CYS A 265 -6.300 -6.831 -2.244 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.702 -8.103 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.351 -7.388 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.319 -6.014 -0.784 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.915 -4.704 0.816 1.00 0.00 H new ATOM 841 N GLN A 266 -4.738 -9.805 -0.392 1.00 0.00 N ATOM 842 CA GLN A 266 -5.438 -10.939 0.200 1.00 0.00 C ATOM 843 C GLN A 266 -6.264 -10.503 1.407 1.00 0.00 C ATOM 844 O GLN A 266 -6.090 -9.399 1.924 1.00 0.00 O ATOM 845 CB GLN A 266 -4.438 -12.020 0.616 1.00 0.00 C ATOM 846 CG GLN A 266 -3.989 -12.907 -0.533 1.00 0.00 C ATOM 847 CD GLN A 266 -3.145 -14.080 -0.070 1.00 0.00 C ATOM 848 OE1 GLN A 266 -2.023 -14.273 -0.535 1.00 0.00 O ATOM 849 NE2 GLN A 266 -3.685 -14.869 0.852 1.00 0.00 N ATOM 0 H GLN A 266 -3.722 -9.891 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.115 -11.347 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.564 -11.543 1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.889 -12.642 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -4.865 -13.281 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.417 -12.311 -1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -4.619 -14.670 1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -3.165 -15.673 1.203 1.00 0.00 H new ATOM 858 N PRO A 267 -7.182 -11.366 1.871 1.00 0.00 N ATOM 859 CA PRO A 267 -8.039 -11.064 3.023 1.00 0.00 C ATOM 860 C PRO A 267 -7.232 -10.884 4.306 1.00 0.00 C ATOM 861 O PRO A 267 -6.319 -11.658 4.590 1.00 0.00 O ATOM 862 CB PRO A 267 -8.952 -12.294 3.136 1.00 0.00 C ATOM 863 CG PRO A 267 -8.846 -12.984 1.818 1.00 0.00 C ATOM 864 CD PRO A 267 -7.463 -12.697 1.315 1.00 0.00 C ATOM 0 HA PRO A 267 -8.584 -10.130 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -8.634 -12.947 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.981 -12.002 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -9.008 -14.057 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -9.599 -12.615 1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.745 -13.440 1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.421 -12.697 0.226 1.00 0.00 H new ATOM 872 N LYS A 268 -7.576 -9.857 5.076 1.00 0.00 N ATOM 873 CA LYS A 268 -6.885 -9.573 6.331 1.00 0.00 C ATOM 874 C LYS A 268 -5.408 -9.267 6.095 1.00 0.00 C ATOM 875 O LYS A 268 -4.597 -9.343 7.019 1.00 0.00 O ATOM 876 CB LYS A 268 -7.024 -10.756 7.291 1.00 0.00 C ATOM 877 CG LYS A 268 -8.452 -11.005 7.750 1.00 0.00 C ATOM 878 CD LYS A 268 -8.917 -9.940 8.732 1.00 0.00 C ATOM 879 CE LYS A 268 -9.676 -10.550 9.898 1.00 0.00 C ATOM 880 NZ LYS A 268 -9.786 -9.606 11.044 1.00 0.00 N ATOM 0 H LYS A 268 -8.330 -9.206 4.854 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.348 -8.692 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.646 -11.655 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.396 -10.580 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.116 -11.019 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.518 -11.987 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.055 -9.388 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -9.555 -9.222 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.674 -10.840 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -9.171 -11.459 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -10.310 -10.060 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -8.834 -9.349 11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -10.290 -8.749 10.740 1.00 0.00 H new ATOM 894 N TYR A 269 -5.060 -8.917 4.859 1.00 0.00 N ATOM 895 CA TYR A 269 -3.677 -8.597 4.518 1.00 0.00 C ATOM 896 C TYR A 269 -3.511 -7.102 4.252 1.00 0.00 C ATOM 897 O TYR A 269 -2.399 -6.576 4.292 1.00 0.00 O ATOM 898 CB TYR A 269 -3.229 -9.390 3.287 1.00 0.00 C ATOM 899 CG TYR A 269 -2.722 -10.780 3.602 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.338 -11.565 4.567 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.625 -11.305 2.931 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.876 -12.835 4.855 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.157 -12.575 3.213 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.787 -13.335 4.175 1.00 0.00 C ATOM 905 OH TYR A 269 -1.326 -14.600 4.459 1.00 0.00 O ATOM 0 H TYR A 269 -5.714 -8.848 4.080 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.053 -8.873 5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.066 -9.468 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.443 -8.835 2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.192 -11.177 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.130 -10.712 2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.366 -13.433 5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.303 -12.969 2.683 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.363 -14.644 4.284 1.00 0.00 H new ATOM 915 N GLY A 270 -4.621 -6.422 3.978 1.00 0.00 N ATOM 916 CA GLY A 270 -4.569 -4.998 3.709 1.00 0.00 C ATOM 917 C GLY A 270 -4.442 -4.168 4.971 1.00 0.00 C ATOM 918 O GLY A 270 -5.312 -4.210 5.840 1.00 0.00 O ATOM 0 H GLY A 270 -5.554 -6.832 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.724 -4.787 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.470 -4.701 3.173 1.00 0.00 H new ATOM 922 N LEU A 271 -3.355 -3.409 5.067 1.00 0.00 N ATOM 923 CA LEU A 271 -3.115 -2.560 6.227 1.00 0.00 C ATOM 924 C LEU A 271 -2.808 -1.132 5.787 1.00 0.00 C ATOM 925 O LEU A 271 -1.925 -0.902 4.959 1.00 0.00 O ATOM 926 CB LEU A 271 -1.959 -3.114 7.063 1.00 0.00 C ATOM 927 CG LEU A 271 -2.030 -2.797 8.558 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.268 -3.426 9.182 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.772 -3.278 9.265 1.00 0.00 C ATOM 0 H LEU A 271 -2.626 -3.365 4.355 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.017 -2.550 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.927 -4.196 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.023 -2.719 6.668 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.100 -1.716 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.300 -3.189 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.161 -3.033 8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.231 -4.508 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.840 -3.044 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.672 -4.356 9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.098 -2.779 8.839 1.00 0.00 H new ATOM 941 N PHE A 272 -3.551 -0.176 6.334 1.00 0.00 N ATOM 942 CA PHE A 272 -3.369 1.229 5.985 1.00 0.00 C ATOM 943 C PHE A 272 -2.675 1.997 7.105 1.00 0.00 C ATOM 944 O PHE A 272 -3.246 2.195 8.175 1.00 0.00 O ATOM 945 CB PHE A 272 -4.727 1.873 5.692 1.00 0.00 C ATOM 946 CG PHE A 272 -5.277 1.533 4.336 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.392 0.214 3.931 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.684 2.536 3.472 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.903 -0.100 2.686 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.195 2.229 2.225 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.305 0.910 1.832 1.00 0.00 C ATOM 0 H PHE A 272 -4.285 -0.348 7.021 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.738 1.273 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.441 1.557 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.631 2.956 5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.079 -0.578 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.601 3.569 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -5.988 -1.132 2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.508 3.020 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.705 0.668 0.858 1.00 0.00 H new ATOM 961 N ALA A 273 -1.449 2.446 6.848 1.00 0.00 N ATOM 962 CA ALA A 273 -0.695 3.211 7.837 1.00 0.00 C ATOM 963 C ALA A 273 0.085 4.347 7.175 1.00 0.00 C ATOM 964 O ALA A 273 0.515 4.233 6.029 1.00 0.00 O ATOM 965 CB ALA A 273 0.250 2.311 8.620 1.00 0.00 C ATOM 0 H ALA A 273 -0.958 2.294 5.967 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.413 3.646 8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.799 2.907 9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.325 1.543 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.953 1.838 7.935 1.00 0.00 H new ATOM 971 N PRO A 274 0.270 5.462 7.899 1.00 0.00 N ATOM 972 CA PRO A 274 0.996 6.631 7.393 1.00 0.00 C ATOM 973 C PRO A 274 2.328 6.266 6.748 1.00 0.00 C ATOM 974 O PRO A 274 2.857 5.176 6.966 1.00 0.00 O ATOM 975 CB PRO A 274 1.232 7.466 8.649 1.00 0.00 C ATOM 976 CG PRO A 274 0.115 7.107 9.562 1.00 0.00 C ATOM 977 CD PRO A 274 -0.220 5.669 9.275 1.00 0.00 C ATOM 0 HA PRO A 274 0.436 7.145 6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.199 7.239 9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.229 8.532 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.407 7.238 10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.749 7.749 9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.269 4.996 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.292 5.485 9.350 1.00 0.00 H new ATOM 985 N VAL A 275 2.867 7.191 5.958 1.00 0.00 N ATOM 986 CA VAL A 275 4.140 6.973 5.286 1.00 0.00 C ATOM 987 C VAL A 275 5.292 6.967 6.287 1.00 0.00 C ATOM 988 O VAL A 275 6.251 6.210 6.140 1.00 0.00 O ATOM 989 CB VAL A 275 4.401 8.054 4.217 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.469 9.435 4.851 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.679 7.749 3.447 1.00 0.00 C ATOM 0 H VAL A 275 2.440 8.098 5.769 1.00 0.00 H new ATOM 0 HA VAL A 275 4.083 6.000 4.798 1.00 0.00 H new ATOM 0 HB VAL A 275 3.569 8.046 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.654 10.181 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.524 9.654 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.278 9.461 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.846 8.523 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.522 7.724 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.585 6.781 2.954 1.00 0.00 H new ATOM 1001 N HIS A 276 5.191 7.816 7.307 1.00 0.00 N ATOM 1002 CA HIS A 276 6.227 7.903 8.332 1.00 0.00 C ATOM 1003 C HIS A 276 6.152 6.712 9.284 1.00 0.00 C ATOM 1004 O HIS A 276 7.150 6.338 9.901 1.00 0.00 O ATOM 1005 CB HIS A 276 6.111 9.213 9.117 1.00 0.00 C ATOM 1006 CG HIS A 276 4.706 9.594 9.471 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.688 8.860 9.977 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 4.214 10.873 9.314 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.611 9.702 10.116 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.954 10.909 9.710 1.00 0.00 N flip ATOM 0 H HIS A 276 4.405 8.451 7.445 1.00 0.00 H new ATOM 0 HA HIS A 276 7.194 7.885 7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.694 9.127 10.034 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.556 10.016 8.530 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.771 11.714 8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.640 9.421 10.496 1.00 0.00 H new ATOM 0 HE2 HIS A 276 2.349 11.730 9.703 1.00 0.00 H new ATOM 1019 N LYS A 277 4.970 6.113 9.394 1.00 0.00 N ATOM 1020 CA LYS A 277 4.779 4.958 10.264 1.00 0.00 C ATOM 1021 C LYS A 277 5.320 3.694 9.609 1.00 0.00 C ATOM 1022 O LYS A 277 5.597 2.704 10.285 1.00 0.00 O ATOM 1023 CB LYS A 277 3.299 4.773 10.596 1.00 0.00 C ATOM 1024 CG LYS A 277 2.806 5.674 11.715 1.00 0.00 C ATOM 1025 CD LYS A 277 2.386 4.866 12.934 1.00 0.00 C ATOM 1026 CE LYS A 277 3.514 4.746 13.946 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.124 6.069 14.259 1.00 0.00 N ATOM 0 H LYS A 277 4.132 6.408 8.893 1.00 0.00 H new ATOM 0 HA LYS A 277 5.329 5.140 11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.708 4.965 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.126 3.734 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.593 6.374 11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.963 6.267 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.524 5.339 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.072 3.871 12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 277 3.133 4.296 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 277 4.281 4.076 13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 4.377 6.105 15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.979 6.202 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 3.442 6.825 14.046 1.00 0.00 H new ATOM 1041 N VAL A 278 5.469 3.733 8.289 1.00 0.00 N ATOM 1042 CA VAL A 278 5.977 2.588 7.551 1.00 0.00 C ATOM 1043 C VAL A 278 7.484 2.692 7.343 1.00 0.00 C ATOM 1044 O VAL A 278 8.013 3.770 7.075 1.00 0.00 O ATOM 1045 CB VAL A 278 5.287 2.442 6.182 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.719 1.154 5.504 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.774 2.481 6.334 1.00 0.00 C ATOM 0 H VAL A 278 5.245 4.544 7.712 1.00 0.00 H new ATOM 0 HA VAL A 278 5.756 1.706 8.151 1.00 0.00 H new ATOM 0 HB VAL A 278 5.589 3.282 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.222 1.067 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.799 1.165 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.447 0.304 6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.307 2.376 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.452 1.663 6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.477 3.431 6.778 1.00 0.00 H new ATOM 1057 N THR A 279 8.167 1.561 7.473 1.00 0.00 N ATOM 1058 CA THR A 279 9.613 1.518 7.304 1.00 0.00 C ATOM 1059 C THR A 279 10.024 0.343 6.425 1.00 0.00 C ATOM 1060 O THR A 279 9.499 -0.763 6.565 1.00 0.00 O ATOM 1061 CB THR A 279 10.303 1.419 8.665 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.413 1.774 9.709 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.523 2.305 8.785 1.00 0.00 C ATOM 0 H THR A 279 7.742 0.661 7.695 1.00 0.00 H new ATOM 0 HA THR A 279 9.924 2.440 6.813 1.00 0.00 H new ATOM 0 HB THR A 279 10.618 0.379 8.750 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.874 1.702 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 279 11.963 2.186 9.775 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.253 2.023 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.233 3.346 8.640 1.00 0.00 H new ATOM 1071 N LYS A 280 10.965 0.586 5.519 1.00 0.00 N ATOM 1072 CA LYS A 280 11.446 -0.453 4.617 1.00 0.00 C ATOM 1073 C LYS A 280 12.174 -1.548 5.392 1.00 0.00 C ATOM 1074 O LYS A 280 13.016 -1.265 6.243 1.00 0.00 O ATOM 1075 CB LYS A 280 12.373 0.151 3.559 1.00 0.00 C ATOM 1076 CG LYS A 280 11.809 0.086 2.149 1.00 0.00 C ATOM 1077 CD LYS A 280 12.715 0.790 1.150 1.00 0.00 C ATOM 1078 CE LYS A 280 12.055 2.037 0.582 1.00 0.00 C ATOM 1079 NZ LYS A 280 11.966 3.127 1.592 1.00 0.00 N ATOM 0 H LYS A 280 11.410 1.495 5.390 1.00 0.00 H new ATOM 0 HA LYS A 280 10.585 -0.899 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.573 1.192 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.329 -0.372 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.683 -0.956 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 280 10.820 0.545 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 280 13.652 1.062 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 280 12.964 0.107 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.622 2.387 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 280 11.055 1.789 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 11.480 3.947 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 11.432 2.791 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 12.923 3.406 1.887 1.00 0.00 H new ATOM 1093 N ILE A 281 11.842 -2.799 5.090 1.00 0.00 N ATOM 1094 CA ILE A 281 12.464 -3.937 5.758 1.00 0.00 C ATOM 1095 C ILE A 281 13.806 -4.281 5.120 1.00 0.00 C ATOM 1096 O ILE A 281 14.704 -4.802 5.782 1.00 0.00 O ATOM 1097 CB ILE A 281 11.549 -5.177 5.720 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.178 -6.332 6.503 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.273 -5.594 4.282 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.170 -7.340 7.008 1.00 0.00 C ATOM 0 H ILE A 281 11.146 -3.050 4.388 1.00 0.00 H new ATOM 0 HA ILE A 281 12.626 -3.649 6.797 1.00 0.00 H new ATOM 0 HB ILE A 281 10.600 -4.919 6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.901 -6.841 5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.731 -5.927 7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.626 -6.471 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.782 -4.776 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.213 -5.834 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.687 -8.130 7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.461 -6.845 7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.634 -7.773 6.163 1.00 0.00 H new ATOM 1112 N GLY A 282 13.937 -3.988 3.829 1.00 0.00 N ATOM 1113 CA GLY A 282 15.171 -4.272 3.124 1.00 0.00 C ATOM 1114 C GLY A 282 15.056 -4.025 1.634 1.00 0.00 C ATOM 1115 O GLY A 282 14.700 -2.927 1.206 1.00 0.00 O ATOM 0 H GLY A 282 13.208 -3.558 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.970 -3.652 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 282 15.454 -5.310 3.296 1.00 0.00 H new ATOM 1119 N PHE A 283 15.358 -5.047 0.841 1.00 0.00 N ATOM 1120 CA PHE A 283 15.285 -4.935 -0.611 1.00 0.00 C ATOM 1121 C PHE A 283 13.889 -5.300 -1.114 1.00 0.00 C ATOM 1122 O PHE A 283 13.250 -6.209 -0.585 1.00 0.00 O ATOM 1123 CB PHE A 283 16.329 -5.840 -1.266 1.00 0.00 C ATOM 1124 CG PHE A 283 17.688 -5.742 -0.636 1.00 0.00 C ATOM 1125 CD1 PHE A 283 18.022 -6.534 0.450 1.00 0.00 C ATOM 1126 CD2 PHE A 283 18.633 -4.856 -1.129 1.00 0.00 C ATOM 1127 CE1 PHE A 283 19.272 -6.446 1.033 1.00 0.00 C ATOM 1128 CE2 PHE A 283 19.884 -4.762 -0.551 1.00 0.00 C ATOM 1129 CZ PHE A 283 20.204 -5.559 0.533 1.00 0.00 C ATOM 0 H PHE A 283 15.656 -5.962 1.179 1.00 0.00 H new ATOM 0 HA PHE A 283 15.491 -3.900 -0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 283 15.987 -6.873 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 283 16.408 -5.584 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 283 17.297 -7.229 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 283 18.388 -4.231 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 283 19.519 -7.070 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 283 20.611 -4.067 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 283 21.181 -5.488 0.987 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 -2.195 10.965 20.774 1.00 0.00 N ATOM 1141 CA GLY B 444 -1.208 10.717 19.738 1.00 0.00 C ATOM 1142 C GLY B 444 -0.651 9.307 19.795 1.00 0.00 C ATOM 1143 O GLY B 444 -1.126 8.416 19.092 1.00 0.00 O ATOM 0 HA2 GLY B 444 -1.660 10.887 18.761 1.00 0.00 H new ATOM 0 HA3 GLY B 444 -0.391 11.432 19.840 1.00 0.00 H new ATOM 1146 N GLU B 445 0.359 9.107 20.637 1.00 0.00 N ATOM 1147 CA GLU B 445 0.981 7.796 20.782 1.00 0.00 C ATOM 1148 C GLU B 445 1.591 7.334 19.462 1.00 0.00 C ATOM 1149 O GLU B 445 1.242 7.841 18.396 1.00 0.00 O ATOM 1150 CB GLU B 445 -0.049 6.773 21.272 1.00 0.00 C ATOM 1151 CG GLU B 445 0.250 6.226 22.658 1.00 0.00 C ATOM 1152 CD GLU B 445 -0.618 5.035 23.015 1.00 0.00 C ATOM 1153 OE1 GLU B 445 -1.817 5.049 22.666 1.00 0.00 O ATOM 1154 OE2 GLU B 445 -0.099 4.087 23.643 1.00 0.00 O ATOM 0 H GLU B 445 0.763 9.834 21.227 1.00 0.00 H new ATOM 0 HA GLU B 445 1.780 7.878 21.519 1.00 0.00 H new ATOM 0 HB2 GLU B 445 -1.035 7.237 21.278 1.00 0.00 H new ATOM 0 HB3 GLU B 445 -0.091 5.945 20.565 1.00 0.00 H new ATOM 0 HG2 GLU B 445 1.299 5.935 22.711 1.00 0.00 H new ATOM 0 HG3 GLU B 445 0.100 7.014 23.396 1.00 0.00 H new ATOM 1161 N GLU B 446 2.502 6.370 19.543 1.00 0.00 N ATOM 1162 CA GLU B 446 3.159 5.839 18.352 1.00 0.00 C ATOM 1163 C GLU B 446 2.471 4.564 17.868 1.00 0.00 C ATOM 1164 O GLU B 446 3.064 3.765 17.145 1.00 0.00 O ATOM 1165 CB GLU B 446 4.636 5.560 18.645 1.00 0.00 C ATOM 1166 CG GLU B 446 5.584 6.542 17.976 1.00 0.00 C ATOM 1167 CD GLU B 446 7.037 6.127 18.105 1.00 0.00 C ATOM 1168 OE1 GLU B 446 7.472 5.836 19.240 1.00 0.00 O ATOM 1169 OE2 GLU B 446 7.739 6.094 17.074 1.00 0.00 O ATOM 0 H GLU B 446 2.802 5.941 20.418 1.00 0.00 H new ATOM 0 HA GLU B 446 3.086 6.587 17.562 1.00 0.00 H new ATOM 0 HB2 GLU B 446 4.796 5.590 19.723 1.00 0.00 H new ATOM 0 HB3 GLU B 446 4.879 4.550 18.314 1.00 0.00 H new ATOM 0 HG2 GLU B 446 5.327 6.628 16.920 1.00 0.00 H new ATOM 0 HG3 GLU B 446 5.451 7.529 18.418 1.00 0.00 H new ATOM 1176 N GLU B 447 1.217 4.380 18.272 1.00 0.00 N ATOM 1177 CA GLU B 447 0.454 3.203 17.877 1.00 0.00 C ATOM 1178 C GLU B 447 -1.000 3.571 17.591 1.00 0.00 C ATOM 1179 O GLU B 447 -1.471 4.633 17.994 1.00 0.00 O ATOM 1180 CB GLU B 447 0.516 2.135 18.970 1.00 0.00 C ATOM 1181 CG GLU B 447 1.901 1.956 19.570 1.00 0.00 C ATOM 1182 CD GLU B 447 2.848 1.221 18.642 1.00 0.00 C ATOM 1183 OE1 GLU B 447 2.622 1.253 17.415 1.00 0.00 O ATOM 1184 OE2 GLU B 447 3.817 0.612 19.143 1.00 0.00 O ATOM 0 H GLU B 447 0.710 5.031 18.872 1.00 0.00 H new ATOM 0 HA GLU B 447 0.897 2.803 16.965 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.183 2.399 19.764 1.00 0.00 H new ATOM 0 HB3 GLU B 447 0.183 1.183 18.555 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.319 2.934 19.809 1.00 0.00 H new ATOM 0 HG3 GLU B 447 1.818 1.407 20.508 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.702 2.685 16.893 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.094 2.937 16.567 1.00 0.00 C ATOM 1193 C GLY B 448 -3.256 3.896 15.404 1.00 0.00 C ATOM 1194 O GLY B 448 -4.309 4.514 15.244 1.00 0.00 O ATOM 0 H GLY B 448 -1.333 1.799 16.548 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.583 1.993 16.326 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.600 3.344 17.442 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.213 4.023 14.591 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.246 4.916 13.438 1.00 0.00 C ATOM 1200 C GLU B 449 -2.388 4.127 12.145 1.00 0.00 C ATOM 1201 O GLU B 449 -1.991 4.596 11.081 1.00 0.00 O ATOM 1202 CB GLU B 449 -0.972 5.759 13.370 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.414 6.144 14.731 1.00 0.00 C ATOM 1204 CD GLU B 449 -1.305 7.124 15.470 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -2.503 7.210 15.129 1.00 0.00 O ATOM 1206 OE2 GLU B 449 -0.805 7.804 16.390 1.00 0.00 O ATOM 0 H GLU B 449 -1.334 3.519 14.709 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.109 5.572 13.556 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.211 5.206 12.820 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.179 6.667 12.803 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.288 5.246 15.335 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.575 6.583 14.603 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.947 2.927 12.234 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.119 2.095 11.054 1.00 0.00 C ATOM 1215 C GLU B 450 -4.469 1.384 11.072 1.00 0.00 C ATOM 1216 O GLU B 450 -5.046 1.148 12.133 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.977 1.082 10.949 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.050 -0.040 11.975 1.00 0.00 C ATOM 1219 CD GLU B 450 -0.913 0.012 12.979 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -0.744 1.063 13.631 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.191 -1.000 13.110 1.00 0.00 O ATOM 0 H GLU B 450 -3.285 2.513 13.102 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.096 2.741 10.177 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.981 0.647 9.949 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.028 1.606 11.065 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.001 0.019 12.505 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.031 -1.000 11.460 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.965 1.047 9.885 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.247 0.366 9.757 1.00 0.00 C ATOM 1230 C TYR B 451 -6.158 -0.776 8.750 1.00 0.00 C ATOM 1231 O TYR B 451 -5.046 -1.310 8.557 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.330 1.357 9.327 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.875 2.189 10.468 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.205 3.326 10.905 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.057 1.837 11.107 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.700 4.087 11.947 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.556 2.593 12.149 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.875 3.717 12.565 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.370 4.472 13.602 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.204 -1.126 8.163 1.00 0.00 O ATOM 0 H TYR B 451 -4.497 1.235 8.998 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.509 -0.051 10.729 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.921 2.022 8.566 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.150 0.808 8.864 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.284 3.619 10.423 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.594 0.958 10.784 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.168 4.968 12.276 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.476 2.305 12.636 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.206 4.075 13.926 1.00 0.00 H new TER 1250 TYR B 451