USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 290 THR OG1 : rot 180:sc= -2.21! USER MOD Set 1.2: A 291 HIS : no HE2:sc= -0.854! C(o=-3.1!,f=-5!) USER MOD Set 2.1: A 255 THR OG1 : rot 180:sc= 0.259 USER MOD Set 2.2: A 286 HIS : no HE2:sc= 0.332 K(o=0.59,f=-8!) USER MOD Set 3.1: A 228 ASN : amide:sc= -0.381 K(o=-0.39,f=-6.2!) USER MOD Set 3.2: A 229 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 233 ASN : amide:sc= -0.909 K(o=-0.91,f=0) USER MOD Single : A 235 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.47) USER MOD Single : A 236 ASN : amide:sc= 0.602 K(o=0.6,f=-1.2) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -111:sc= -2.11 (180deg=-6.26!) USER MOD Single : A 250 ASN : amide:sc= -1.25! K(o=-1.3!,f=-0.19) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0.858) USER MOD Single : A 268 THR OG1 : rot -26:sc= 0.449 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -5.38! C(o=-5.4!,f=-8.9!) USER MOD Single : A 272 MET CE :methyl 175:sc= 0 (180deg=-0.0527) USER MOD Single : A 273 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 275 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 280 CYS SG : rot 93:sc= 0.17 USER MOD Single : A 281 ASN : amide:sc= -0.571 K(o=-0.57,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 297 GLN : amide:sc= -1.04 K(o=-1,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -11.283 1.406 2.601 1.00 1.37 N ATOM 98 CA ILE A 227 -10.781 0.089 2.952 1.00 1.12 C ATOM 99 C ILE A 227 -10.381 0.008 4.434 1.00 1.27 C ATOM 100 O ILE A 227 -9.374 0.571 4.874 1.00 1.47 O ATOM 101 CB ILE A 227 -9.604 -0.314 2.021 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.149 -0.921 0.718 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.646 -1.280 2.699 1.00 1.14 C ATOM 104 CD1 ILE A 227 -9.066 -1.395 -0.220 1.00 1.47 C ATOM 0 HA ILE A 227 -11.590 -0.627 2.804 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.040 0.589 1.790 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -10.801 -1.760 0.961 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.762 -0.178 0.208 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.839 -1.535 2.012 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.229 -0.813 3.591 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.182 -2.186 2.981 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -9.520 -1.812 -1.119 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -8.427 -0.555 -0.492 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -8.467 -2.161 0.273 1.00 1.47 H new ATOM 116 N ASN A 228 -11.245 -0.648 5.197 1.00 1.52 N ATOM 117 CA ASN A 228 -11.015 -0.925 6.609 1.00 1.82 C ATOM 118 C ASN A 228 -11.616 -2.291 6.944 1.00 1.80 C ATOM 119 O ASN A 228 -12.706 -2.622 6.469 1.00 2.07 O ATOM 120 CB ASN A 228 -11.654 0.168 7.476 1.00 2.42 C ATOM 121 CG ASN A 228 -11.187 0.144 8.926 1.00 3.09 C ATOM 122 OD1 ASN A 228 -10.805 -0.894 9.465 1.00 3.44 O ATOM 123 ND2 ASN A 228 -11.221 1.300 9.569 1.00 3.83 N ATOM 0 H ASN A 228 -12.134 -1.007 4.850 1.00 1.52 H new ATOM 0 HA ASN A 228 -9.944 -0.935 6.814 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -11.425 1.143 7.045 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -12.738 0.054 7.450 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -10.924 1.350 10.544 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -11.544 2.141 9.090 1.00 3.83 H new ATOM 130 N THR A 229 -10.894 -3.078 7.745 1.00 1.66 N ATOM 131 CA THR A 229 -11.306 -4.446 8.095 1.00 1.67 C ATOM 132 C THR A 229 -11.439 -5.350 6.851 1.00 1.68 C ATOM 133 O THR A 229 -12.342 -6.185 6.785 1.00 2.22 O ATOM 134 CB THR A 229 -12.667 -4.428 8.820 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.796 -3.227 9.597 1.00 1.91 O ATOM 136 CG2 THR A 229 -12.816 -5.633 9.737 1.00 1.88 C ATOM 0 H THR A 229 -10.012 -2.790 8.169 1.00 1.66 H new ATOM 0 HA THR A 229 -10.528 -4.848 8.743 1.00 1.67 H new ATOM 0 HB THR A 229 -13.449 -4.465 8.062 1.00 1.80 H new ATOM 0 HG1 THR A 229 -13.664 -3.224 10.052 1.00 1.91 H new ATOM 0 HG21 THR A 229 -13.785 -5.594 10.235 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.747 -6.548 9.149 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.023 -5.621 10.485 1.00 1.88 H new ATOM 144 N PRO A 230 -10.542 -5.227 5.854 1.00 1.34 N ATOM 145 CA PRO A 230 -10.717 -5.860 4.567 1.00 1.46 C ATOM 146 C PRO A 230 -9.816 -7.071 4.326 1.00 1.44 C ATOM 147 O PRO A 230 -8.749 -7.215 4.930 1.00 1.32 O ATOM 148 CB PRO A 230 -10.315 -4.713 3.652 1.00 1.46 C ATOM 149 CG PRO A 230 -9.250 -3.966 4.414 1.00 1.48 C ATOM 150 CD PRO A 230 -9.303 -4.450 5.846 1.00 1.35 C ATOM 0 HA PRO A 230 -11.718 -6.270 4.432 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -9.934 -5.082 2.700 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -11.166 -4.069 3.428 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -8.267 -4.150 3.982 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -9.424 -2.891 4.364 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -8.437 -5.059 6.104 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -9.334 -3.624 6.556 1.00 1.35 H new ATOM 158 N LEU A 231 -10.273 -7.940 3.444 1.00 1.78 N ATOM 159 CA LEU A 231 -9.471 -9.045 2.950 1.00 1.82 C ATOM 160 C LEU A 231 -9.078 -8.744 1.503 1.00 1.52 C ATOM 161 O LEU A 231 -9.635 -7.822 0.901 1.00 1.52 O ATOM 162 CB LEU A 231 -10.249 -10.370 3.046 1.00 2.34 C ATOM 163 CG LEU A 231 -10.401 -10.958 4.457 1.00 2.79 C ATOM 164 CD1 LEU A 231 -9.053 -11.039 5.153 1.00 3.30 C ATOM 165 CD2 LEU A 231 -11.385 -10.152 5.291 1.00 3.42 C ATOM 0 H LEU A 231 -11.212 -7.900 3.049 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.574 -9.154 3.559 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -11.244 -10.216 2.629 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -9.751 -11.108 2.418 1.00 2.34 H new ATOM 0 HG LEU A 231 -10.799 -11.967 4.354 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -9.183 -11.458 6.151 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -8.383 -11.677 4.576 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -8.624 -10.040 5.232 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -11.469 -10.595 6.283 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -11.030 -9.125 5.381 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -12.362 -10.157 4.807 1.00 3.42 H new ATOM 177 N PRO A 232 -8.117 -9.487 0.918 1.00 1.40 N ATOM 178 CA PRO A 232 -7.631 -9.209 -0.439 1.00 1.28 C ATOM 179 C PRO A 232 -8.763 -9.131 -1.468 1.00 1.55 C ATOM 180 O PRO A 232 -9.551 -10.067 -1.602 1.00 1.84 O ATOM 181 CB PRO A 232 -6.724 -10.399 -0.737 1.00 1.40 C ATOM 182 CG PRO A 232 -6.258 -10.862 0.598 1.00 1.45 C ATOM 183 CD PRO A 232 -7.408 -10.628 1.535 1.00 1.54 C ATOM 0 HA PRO A 232 -7.131 -8.243 -0.499 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -7.264 -11.186 -1.263 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.886 -10.109 -1.371 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -5.983 -11.916 0.572 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.374 -10.309 0.917 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -8.049 -11.506 1.613 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -7.065 -10.392 2.543 1.00 1.54 H new ATOM 191 N ASN A 233 -8.809 -8.007 -2.197 1.00 1.58 N ATOM 192 CA ASN A 233 -9.861 -7.722 -3.187 1.00 2.01 C ATOM 193 C ASN A 233 -11.239 -7.625 -2.532 1.00 1.76 C ATOM 194 O ASN A 233 -11.802 -8.627 -2.094 1.00 2.31 O ATOM 195 CB ASN A 233 -9.894 -8.774 -4.305 1.00 2.67 C ATOM 196 CG ASN A 233 -8.847 -8.547 -5.381 1.00 3.38 C ATOM 197 OD1 ASN A 233 -9.077 -8.848 -6.552 1.00 3.96 O ATOM 198 ND2 ASN A 233 -7.690 -8.028 -5.003 1.00 3.82 N ATOM 0 H ASN A 233 -8.114 -7.265 -2.117 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.614 -6.756 -3.628 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -9.746 -9.762 -3.868 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.882 -8.773 -4.765 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -6.955 -7.866 -5.691 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -7.533 -7.790 -4.024 1.00 3.82 H new ATOM 205 N LEU A 234 -11.795 -6.419 -2.469 1.00 1.61 N ATOM 206 CA LEU A 234 -13.112 -6.237 -1.921 1.00 1.90 C ATOM 207 C LEU A 234 -14.021 -5.784 -3.045 1.00 1.69 C ATOM 208 O LEU A 234 -14.724 -6.579 -3.669 1.00 1.91 O ATOM 209 CB LEU A 234 -13.076 -5.177 -0.809 1.00 2.77 C ATOM 210 CG LEU A 234 -14.133 -5.307 0.295 1.00 3.77 C ATOM 211 CD1 LEU A 234 -13.958 -4.192 1.312 1.00 4.30 C ATOM 212 CD2 LEU A 234 -15.543 -5.278 -0.280 1.00 4.49 C ATOM 0 H LEU A 234 -11.346 -5.562 -2.793 1.00 1.61 H new ATOM 0 HA LEU A 234 -13.478 -7.168 -1.490 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -12.091 -5.205 -0.343 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -13.183 -4.195 -1.270 1.00 2.77 H new ATOM 0 HG LEU A 234 -13.993 -6.270 0.787 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -14.712 -4.290 2.093 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.965 -4.257 1.756 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -14.072 -3.227 0.817 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -16.268 -5.372 0.529 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -15.703 -4.335 -0.803 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -15.668 -6.106 -0.978 1.00 4.49 H new ATOM 224 N GLN A 235 -13.973 -4.495 -3.295 1.00 1.58 N ATOM 225 CA GLN A 235 -14.788 -3.870 -4.303 1.00 1.78 C ATOM 226 C GLN A 235 -13.971 -3.535 -5.540 1.00 1.59 C ATOM 227 O GLN A 235 -14.150 -4.106 -6.616 1.00 1.97 O ATOM 228 CB GLN A 235 -15.357 -2.604 -3.703 1.00 2.17 C ATOM 229 CG GLN A 235 -16.491 -1.992 -4.511 1.00 2.56 C ATOM 230 CD GLN A 235 -17.702 -2.901 -4.589 1.00 3.18 C ATOM 231 OE1 GLN A 235 -17.793 -3.756 -5.471 1.00 3.71 O ATOM 232 NE2 GLN A 235 -18.646 -2.719 -3.681 1.00 3.72 N ATOM 0 H GLN A 235 -13.361 -3.848 -2.798 1.00 1.58 H new ATOM 0 HA GLN A 235 -15.582 -4.550 -4.612 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -15.717 -2.821 -2.697 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -14.558 -1.870 -3.604 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.782 -1.042 -4.062 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.138 -1.774 -5.519 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -18.534 -2.000 -2.966 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -19.486 -3.297 -3.696 1.00 3.72 H new ATOM 241 N ASN A 236 -13.065 -2.601 -5.342 1.00 1.40 N ATOM 242 CA ASN A 236 -12.260 -2.025 -6.407 1.00 1.65 C ATOM 243 C ASN A 236 -10.799 -2.271 -6.080 1.00 1.69 C ATOM 244 O ASN A 236 -9.971 -1.396 -6.277 1.00 2.36 O ATOM 245 CB ASN A 236 -12.539 -0.519 -6.537 1.00 2.09 C ATOM 246 CG ASN A 236 -11.962 0.085 -7.807 1.00 2.95 C ATOM 247 OD1 ASN A 236 -11.894 -0.574 -8.846 1.00 3.67 O ATOM 248 ND2 ASN A 236 -11.540 1.340 -7.734 1.00 3.34 N ATOM 0 H ASN A 236 -12.861 -2.212 -4.422 1.00 1.40 H new ATOM 0 HA ASN A 236 -12.511 -2.490 -7.360 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.616 -0.352 -6.519 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -12.121 -0.002 -5.673 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -11.142 1.793 -8.557 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -11.613 1.852 -6.855 1.00 3.34 H new ATOM 255 N GLY A 237 -10.519 -3.513 -5.645 1.00 1.32 N ATOM 256 CA GLY A 237 -9.396 -3.862 -4.795 1.00 1.67 C ATOM 257 C GLY A 237 -8.257 -2.891 -4.786 1.00 1.38 C ATOM 258 O GLY A 237 -7.947 -2.342 -3.739 1.00 1.70 O ATOM 0 H GLY A 237 -11.095 -4.318 -5.891 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -9.760 -3.975 -3.774 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.017 -4.835 -5.108 1.00 1.67 H new ATOM 262 N PRO A 238 -7.601 -2.667 -5.927 1.00 0.90 N ATOM 263 CA PRO A 238 -6.400 -1.864 -5.977 1.00 0.65 C ATOM 264 C PRO A 238 -6.608 -0.439 -5.541 1.00 0.50 C ATOM 265 O PRO A 238 -7.355 0.341 -6.138 1.00 0.76 O ATOM 266 CB PRO A 238 -5.976 -1.919 -7.431 1.00 0.65 C ATOM 267 CG PRO A 238 -6.626 -3.160 -7.921 1.00 0.96 C ATOM 268 CD PRO A 238 -7.954 -3.172 -7.256 1.00 0.88 C ATOM 0 HA PRO A 238 -5.650 -2.250 -5.286 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -6.313 -1.042 -7.983 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -4.892 -1.963 -7.534 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.726 -3.154 -9.006 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.043 -4.043 -7.659 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.676 -2.532 -7.763 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.387 -4.171 -7.217 1.00 0.88 H new ATOM 276 N PHE A 239 -5.894 -0.126 -4.508 1.00 0.37 N ATOM 277 CA PHE A 239 -5.867 1.203 -3.947 1.00 0.28 C ATOM 278 C PHE A 239 -4.493 1.766 -4.153 1.00 0.27 C ATOM 279 O PHE A 239 -3.588 1.058 -4.586 1.00 0.51 O ATOM 280 CB PHE A 239 -6.234 1.207 -2.443 1.00 0.34 C ATOM 281 CG PHE A 239 -5.674 0.047 -1.674 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.142 -1.207 -1.911 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.702 0.214 -0.723 1.00 0.35 C ATOM 284 CE1 PHE A 239 -5.661 -2.292 -1.223 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.210 -0.860 -0.014 1.00 0.35 C ATOM 286 CZ PHE A 239 -4.691 -2.121 -0.266 1.00 0.73 C ATOM 0 H PHE A 239 -5.300 -0.793 -4.016 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.614 1.817 -4.450 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.875 2.134 -1.995 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.320 1.205 -2.345 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -6.909 -1.352 -2.657 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.315 1.203 -0.526 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.045 -3.279 -1.434 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.449 -0.710 0.737 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.310 -2.970 0.283 1.00 0.73 H new ATOM 296 N TYR A 240 -4.326 3.026 -3.872 1.00 0.16 N ATOM 297 CA TYR A 240 -3.012 3.612 -3.970 1.00 0.21 C ATOM 298 C TYR A 240 -2.581 4.003 -2.580 1.00 0.21 C ATOM 299 O TYR A 240 -3.410 4.058 -1.691 1.00 0.36 O ATOM 300 CB TYR A 240 -3.016 4.810 -4.919 1.00 0.25 C ATOM 301 CG TYR A 240 -3.631 4.510 -6.272 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.334 3.332 -6.956 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.510 5.407 -6.865 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.898 3.063 -8.187 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.078 5.143 -8.097 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.771 3.970 -8.751 1.00 0.45 C ATOM 307 OH TYR A 240 -5.334 3.704 -9.979 1.00 0.59 O ATOM 0 H TYR A 240 -5.067 3.662 -3.577 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.305 2.894 -4.386 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.564 5.630 -4.454 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.991 5.153 -5.063 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.652 2.619 -6.516 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.754 6.327 -6.354 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.657 2.147 -8.706 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.759 5.852 -8.544 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.926 4.442 -10.234 1.00 0.59 H new ATOM 317 N ALA A 241 -1.302 4.182 -2.356 1.00 0.17 N ATOM 318 CA ALA A 241 -0.853 4.717 -1.086 1.00 0.19 C ATOM 319 C ALA A 241 0.374 5.578 -1.268 1.00 0.15 C ATOM 320 O ALA A 241 1.379 5.146 -1.833 1.00 0.19 O ATOM 321 CB ALA A 241 -0.591 3.616 -0.067 1.00 0.35 C ATOM 0 H ALA A 241 -0.560 3.970 -3.023 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.658 5.339 -0.695 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.256 4.060 0.871 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.509 3.054 0.105 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.180 2.945 -0.446 1.00 0.35 H new ATOM 327 N ARG A 242 0.271 6.802 -0.796 1.00 0.16 N ATOM 328 CA ARG A 242 1.371 7.730 -0.821 1.00 0.16 C ATOM 329 C ARG A 242 2.336 7.386 0.286 1.00 0.14 C ATOM 330 O ARG A 242 2.022 7.516 1.470 1.00 0.23 O ATOM 331 CB ARG A 242 0.875 9.162 -0.620 1.00 0.29 C ATOM 332 CG ARG A 242 1.994 10.194 -0.555 1.00 0.33 C ATOM 333 CD ARG A 242 2.449 10.612 -1.945 1.00 0.79 C ATOM 334 NE ARG A 242 1.336 11.082 -2.767 1.00 1.19 N ATOM 335 CZ ARG A 242 1.353 11.111 -4.100 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.457 10.789 -4.766 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.268 11.477 -4.766 1.00 2.05 N ATOM 0 H ARG A 242 -0.583 7.179 -0.384 1.00 0.16 H new ATOM 0 HA ARG A 242 1.864 7.660 -1.791 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.200 9.421 -1.436 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.294 9.210 0.301 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.651 11.070 -0.005 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.839 9.782 -0.003 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.196 11.402 -1.860 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.932 9.768 -2.437 1.00 0.79 H new ATOM 0 HE ARG A 242 0.494 11.408 -2.292 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.298 10.517 -4.257 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.463 10.813 -5.786 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.578 11.736 -4.259 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.279 11.500 -5.786 1.00 2.05 H new ATOM 351 N VAL A 243 3.494 6.917 -0.095 1.00 0.10 N ATOM 352 CA VAL A 243 4.531 6.669 0.860 1.00 0.14 C ATOM 353 C VAL A 243 5.150 7.994 1.268 1.00 0.11 C ATOM 354 O VAL A 243 5.852 8.634 0.488 1.00 0.15 O ATOM 355 CB VAL A 243 5.601 5.711 0.290 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.967 6.066 -1.140 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.832 5.723 1.169 1.00 0.32 C ATOM 0 H VAL A 243 3.739 6.700 -1.061 1.00 0.10 H new ATOM 0 HA VAL A 243 4.102 6.183 1.736 1.00 0.14 H new ATOM 0 HB VAL A 243 5.178 4.706 0.281 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.722 5.370 -1.506 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.079 6.002 -1.769 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.363 7.081 -1.173 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.579 5.044 0.758 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.241 6.733 1.208 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.564 5.401 2.175 1.00 0.32 H new ATOM 367 N ILE A 244 4.857 8.429 2.481 1.00 0.13 N ATOM 368 CA ILE A 244 5.408 9.674 2.955 1.00 0.15 C ATOM 369 C ILE A 244 6.743 9.462 3.643 1.00 0.14 C ATOM 370 O ILE A 244 7.474 10.419 3.850 1.00 0.20 O ATOM 371 CB ILE A 244 4.444 10.408 3.897 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.984 9.480 5.022 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.256 10.949 3.112 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.970 10.110 5.940 1.00 0.76 C ATOM 0 H ILE A 244 4.250 7.944 3.142 1.00 0.13 H new ATOM 0 HA ILE A 244 5.563 10.299 2.076 1.00 0.15 H new ATOM 0 HB ILE A 244 4.966 11.250 4.351 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.557 8.577 4.586 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.851 9.173 5.607 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.578 11.468 3.790 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.609 11.644 2.350 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.729 10.123 2.634 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.688 9.397 6.714 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.401 10.997 6.404 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.087 10.392 5.367 1.00 0.76 H new ATOM 386 N GLN A 245 7.045 8.214 4.019 1.00 0.12 N ATOM 387 CA GLN A 245 8.366 7.862 4.556 1.00 0.14 C ATOM 388 C GLN A 245 8.689 6.397 4.326 1.00 0.14 C ATOM 389 O GLN A 245 8.102 5.519 4.951 1.00 0.17 O ATOM 390 CB GLN A 245 8.476 8.178 6.051 1.00 0.21 C ATOM 391 CG GLN A 245 8.476 9.664 6.345 1.00 0.33 C ATOM 392 CD GLN A 245 8.587 9.980 7.826 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.683 10.157 8.361 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.448 10.053 8.497 1.00 1.06 N ATOM 0 H GLN A 245 6.394 7.431 3.962 1.00 0.12 H new ATOM 0 HA GLN A 245 9.089 8.473 4.016 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.645 7.709 6.578 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.392 7.736 6.443 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.306 10.132 5.817 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.560 10.105 5.953 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.562 9.900 8.016 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.457 10.263 9.495 1.00 1.06 H new ATOM 403 N LYS A 246 9.577 6.141 3.384 1.00 0.15 N ATOM 404 CA LYS A 246 10.128 4.812 3.179 1.00 0.16 C ATOM 405 C LYS A 246 11.628 4.899 2.950 1.00 0.22 C ATOM 406 O LYS A 246 12.172 5.983 2.718 1.00 0.29 O ATOM 407 CB LYS A 246 9.476 4.109 1.990 1.00 0.18 C ATOM 408 CG LYS A 246 8.823 2.774 2.332 1.00 0.20 C ATOM 409 CD LYS A 246 7.538 2.955 3.131 1.00 0.29 C ATOM 410 CE LYS A 246 6.414 2.083 2.595 1.00 0.28 C ATOM 411 NZ LYS A 246 5.934 2.541 1.264 1.00 0.36 N ATOM 0 H LYS A 246 9.937 6.845 2.740 1.00 0.15 H new ATOM 0 HA LYS A 246 9.922 4.229 4.077 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.723 4.769 1.561 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.231 3.945 1.221 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.605 2.231 1.412 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.523 2.164 2.904 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.722 2.709 4.177 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.234 4.001 3.099 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.760 1.052 2.520 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.583 2.089 3.301 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.973 2.928 1.356 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.571 3.278 0.900 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.922 1.737 0.604 1.00 0.36 H new ATOM 425 N ARG A 247 12.283 3.760 3.026 1.00 0.27 N ATOM 426 CA ARG A 247 13.655 3.630 2.573 1.00 0.37 C ATOM 427 C ARG A 247 13.576 3.056 1.175 1.00 0.27 C ATOM 428 O ARG A 247 12.499 2.620 0.776 1.00 0.21 O ATOM 429 CB ARG A 247 14.461 2.697 3.484 1.00 0.55 C ATOM 430 CG ARG A 247 14.100 1.232 3.313 1.00 0.69 C ATOM 431 CD ARG A 247 14.802 0.342 4.320 1.00 0.72 C ATOM 432 NE ARG A 247 13.995 -0.834 4.625 1.00 1.24 N ATOM 433 CZ ARG A 247 14.313 -2.080 4.283 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.487 -2.355 3.723 1.00 1.33 N ATOM 435 NH2 ARG A 247 13.454 -3.055 4.516 1.00 2.10 N ATOM 0 H ARG A 247 11.883 2.900 3.402 1.00 0.27 H new ATOM 0 HA ARG A 247 14.162 4.595 2.592 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.523 2.829 3.279 1.00 0.55 H new ATOM 0 HB3 ARG A 247 14.299 2.985 4.523 1.00 0.55 H new ATOM 0 HG2 ARG A 247 13.022 1.112 3.416 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.362 0.912 2.305 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.770 0.032 3.925 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.996 0.903 5.235 1.00 0.72 H new ATOM 0 HE ARG A 247 13.125 -0.691 5.137 1.00 1.24 H new ATOM 0 HH11 ARG A 247 16.158 -1.606 3.550 1.00 1.33 H new ATOM 0 HH12 ARG A 247 15.717 -3.315 3.466 1.00 1.33 H new ATOM 0 HH21 ARG A 247 12.556 -2.850 4.954 1.00 2.10 H new ATOM 0 HH22 ARG A 247 13.688 -4.014 4.258 1.00 2.10 H new ATOM 449 N VAL A 248 14.653 3.076 0.416 1.00 0.32 N ATOM 450 CA VAL A 248 14.623 2.437 -0.881 1.00 0.31 C ATOM 451 C VAL A 248 15.311 1.059 -0.799 1.00 0.26 C ATOM 452 O VAL A 248 16.523 0.912 -0.976 1.00 0.30 O ATOM 453 CB VAL A 248 15.228 3.363 -1.971 1.00 0.45 C ATOM 454 CG1 VAL A 248 16.713 3.624 -1.761 1.00 1.12 C ATOM 455 CG2 VAL A 248 14.950 2.822 -3.362 1.00 1.18 C ATOM 0 H VAL A 248 15.538 3.516 0.667 1.00 0.32 H new ATOM 0 HA VAL A 248 13.590 2.262 -1.180 1.00 0.31 H new ATOM 0 HB VAL A 248 14.730 4.328 -1.877 1.00 0.45 H new ATOM 0 HG11 VAL A 248 17.083 4.277 -2.552 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.865 4.103 -0.794 1.00 1.12 H new ATOM 0 HG13 VAL A 248 17.256 2.679 -1.787 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.385 3.490 -4.106 1.00 1.18 H new ATOM 0 HG22 VAL A 248 15.392 1.831 -3.462 1.00 1.18 H new ATOM 0 HG23 VAL A 248 13.873 2.757 -3.518 1.00 1.18 H new ATOM 465 N PRO A 249 14.516 0.027 -0.479 1.00 0.20 N ATOM 466 CA PRO A 249 14.973 -1.328 -0.257 1.00 0.20 C ATOM 467 C PRO A 249 14.735 -2.246 -1.442 1.00 0.27 C ATOM 468 O PRO A 249 14.036 -1.896 -2.389 1.00 0.34 O ATOM 469 CB PRO A 249 14.099 -1.774 0.915 1.00 0.21 C ATOM 470 CG PRO A 249 12.916 -0.846 0.922 1.00 0.23 C ATOM 471 CD PRO A 249 13.089 0.094 -0.240 1.00 0.22 C ATOM 0 HA PRO A 249 16.049 -1.369 -0.085 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.782 -2.810 0.794 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.647 -1.716 1.855 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.986 -1.406 0.830 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.864 -0.294 1.860 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.515 -0.225 -1.110 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.764 1.106 0.003 1.00 0.22 H new ATOM 479 N ASN A 250 15.324 -3.422 -1.389 1.00 0.31 N ATOM 480 CA ASN A 250 15.057 -4.425 -2.382 1.00 0.39 C ATOM 481 C ASN A 250 14.072 -5.466 -1.891 1.00 0.36 C ATOM 482 O ASN A 250 13.940 -5.703 -0.694 1.00 0.35 O ATOM 483 CB ASN A 250 16.345 -5.089 -2.860 1.00 0.51 C ATOM 484 CG ASN A 250 17.279 -5.569 -1.750 1.00 1.13 C ATOM 485 OD1 ASN A 250 18.493 -5.638 -1.945 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.740 -5.895 -0.583 1.00 1.56 N ATOM 0 H ASN A 250 15.989 -3.701 -0.668 1.00 0.31 H new ATOM 0 HA ASN A 250 14.599 -3.914 -3.229 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.085 -5.941 -3.488 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.887 -4.383 -3.489 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.335 -6.213 0.182 1.00 1.56 H new ATOM 0 HD22 ASN A 250 15.731 -5.828 -0.451 1.00 1.56 H new ATOM 493 N ALA A 251 13.398 -6.082 -2.844 1.00 0.43 N ATOM 494 CA ALA A 251 12.435 -7.145 -2.576 1.00 0.48 C ATOM 495 C ALA A 251 13.129 -8.394 -2.039 1.00 0.53 C ATOM 496 O ALA A 251 12.479 -9.327 -1.577 1.00 0.60 O ATOM 497 CB ALA A 251 11.646 -7.476 -3.834 1.00 0.59 C ATOM 0 H ALA A 251 13.501 -5.861 -3.834 1.00 0.43 H new ATOM 0 HA ALA A 251 11.744 -6.789 -1.812 1.00 0.48 H new ATOM 0 HB1 ALA A 251 10.932 -8.271 -3.617 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.110 -6.589 -4.171 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.330 -7.806 -4.616 1.00 0.59 H new ATOM 503 N TYR A 252 14.455 -8.408 -2.120 1.00 0.54 N ATOM 504 CA TYR A 252 15.249 -9.473 -1.532 1.00 0.65 C ATOM 505 C TYR A 252 15.202 -9.351 -0.013 1.00 0.60 C ATOM 506 O TYR A 252 15.476 -10.303 0.719 1.00 0.69 O ATOM 507 CB TYR A 252 16.693 -9.395 -2.035 1.00 0.77 C ATOM 508 CG TYR A 252 17.554 -10.557 -1.598 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.389 -11.814 -2.164 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.527 -10.400 -0.618 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.168 -12.881 -1.766 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.310 -11.464 -0.215 1.00 3.46 C ATOM 513 CZ TYR A 252 19.127 -12.702 -0.794 1.00 3.61 C ATOM 514 OH TYR A 252 19.901 -13.769 -0.396 1.00 4.61 O ATOM 0 H TYR A 252 15.002 -7.688 -2.591 1.00 0.54 H new ATOM 0 HA TYR A 252 14.840 -10.440 -1.826 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.687 -9.349 -3.124 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.142 -8.468 -1.679 1.00 0.77 H new ATOM 0 HD1 TYR A 252 16.639 -11.959 -2.928 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.673 -9.431 -0.164 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.026 -13.853 -2.215 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.061 -11.327 0.549 1.00 3.46 H new ATOM 0 HH TYR A 252 20.530 -13.477 0.296 1.00 4.61 H new ATOM 524 N ASP A 253 14.838 -8.161 0.441 1.00 0.50 N ATOM 525 CA ASP A 253 14.651 -7.886 1.848 1.00 0.51 C ATOM 526 C ASP A 253 13.246 -8.260 2.238 1.00 0.48 C ATOM 527 O ASP A 253 12.359 -7.403 2.239 1.00 0.43 O ATOM 528 CB ASP A 253 14.849 -6.402 2.111 1.00 0.49 C ATOM 529 CG ASP A 253 14.691 -6.027 3.574 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.655 -6.191 4.348 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.608 -5.553 3.960 1.00 1.32 O ATOM 0 H ASP A 253 14.664 -7.358 -0.164 1.00 0.50 H new ATOM 0 HA ASP A 253 15.373 -8.462 2.428 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.843 -6.109 1.773 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.131 -5.836 1.518 1.00 0.49 H new ATOM 536 N LYS A 254 13.038 -9.530 2.559 1.00 0.55 N ATOM 537 CA LYS A 254 11.701 -10.053 2.715 1.00 0.55 C ATOM 538 C LYS A 254 10.958 -9.828 1.417 1.00 0.49 C ATOM 539 O LYS A 254 10.981 -10.683 0.535 1.00 0.54 O ATOM 540 CB LYS A 254 10.994 -9.403 3.907 1.00 0.57 C ATOM 541 CG LYS A 254 11.556 -9.858 5.245 1.00 0.73 C ATOM 542 CD LYS A 254 11.519 -8.752 6.288 1.00 1.32 C ATOM 543 CE LYS A 254 12.493 -7.633 5.947 1.00 1.62 C ATOM 544 NZ LYS A 254 12.630 -6.654 7.056 1.00 2.40 N ATOM 0 H LYS A 254 13.781 -10.211 2.715 1.00 0.55 H new ATOM 0 HA LYS A 254 11.732 -11.121 2.929 1.00 0.55 H new ATOM 0 HB2 LYS A 254 11.084 -8.319 3.830 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.931 -9.639 3.866 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.985 -10.714 5.605 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.584 -10.194 5.110 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.509 -8.348 6.357 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.765 -9.164 7.267 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.469 -8.060 5.718 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.152 -7.118 5.049 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.302 -5.910 6.781 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 11.704 -6.226 7.258 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 12.980 -7.140 7.906 1.00 2.40 H new ATOM 558 N THR A 255 10.307 -8.686 1.295 1.00 0.42 N ATOM 559 CA THR A 255 9.721 -8.300 0.027 1.00 0.39 C ATOM 560 C THR A 255 9.888 -6.812 -0.294 1.00 0.31 C ATOM 561 O THR A 255 9.576 -6.400 -1.392 1.00 0.32 O ATOM 562 CB THR A 255 8.233 -8.695 -0.027 1.00 0.47 C ATOM 563 OG1 THR A 255 7.569 -8.252 1.169 1.00 0.49 O ATOM 564 CG2 THR A 255 8.077 -10.200 -0.173 1.00 0.60 C ATOM 0 H THR A 255 10.172 -8.015 2.052 1.00 0.42 H new ATOM 0 HA THR A 255 10.271 -8.846 -0.739 1.00 0.39 H new ATOM 0 HB THR A 255 7.781 -8.216 -0.895 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.623 -8.504 1.130 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.018 -10.454 -0.209 1.00 0.60 H new ATOM 0 HG22 THR A 255 8.560 -10.528 -1.093 1.00 0.60 H new ATOM 0 HG23 THR A 255 8.541 -10.698 0.678 1.00 0.60 H new ATOM 572 N ALA A 256 10.452 -6.057 0.642 1.00 0.26 N ATOM 573 CA ALA A 256 10.335 -4.579 0.719 1.00 0.21 C ATOM 574 C ALA A 256 10.153 -3.801 -0.609 1.00 0.17 C ATOM 575 O ALA A 256 10.940 -3.931 -1.548 1.00 0.21 O ATOM 576 CB ALA A 256 11.531 -4.032 1.467 1.00 0.23 C ATOM 0 H ALA A 256 11.020 -6.451 1.393 1.00 0.26 H new ATOM 0 HA ALA A 256 9.391 -4.413 1.239 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.456 -2.946 1.530 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.555 -4.453 2.472 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.445 -4.302 0.939 1.00 0.23 H new ATOM 582 N LEU A 257 9.099 -2.951 -0.625 1.00 0.14 N ATOM 583 CA LEU A 257 8.851 -1.965 -1.699 1.00 0.14 C ATOM 584 C LEU A 257 9.986 -0.965 -1.805 1.00 0.13 C ATOM 585 O LEU A 257 10.329 -0.329 -0.815 1.00 0.15 O ATOM 586 CB LEU A 257 7.582 -1.126 -1.418 1.00 0.15 C ATOM 587 CG LEU A 257 6.247 -1.686 -1.888 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.354 -2.296 -3.275 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.727 -2.683 -0.892 1.00 0.21 C ATOM 0 H LEU A 257 8.394 -2.932 0.112 1.00 0.14 H new ATOM 0 HA LEU A 257 8.746 -2.549 -2.613 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.518 -0.964 -0.342 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.717 -0.148 -1.880 1.00 0.15 H new ATOM 0 HG LEU A 257 5.537 -0.862 -1.957 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.382 -2.685 -3.577 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.676 -1.533 -3.984 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.081 -3.108 -3.260 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.772 -3.078 -1.237 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.441 -3.500 -0.788 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.591 -2.196 0.073 1.00 0.21 H new ATOM 601 N ALA A 258 10.517 -0.776 -3.003 1.00 0.14 N ATOM 602 CA ALA A 258 11.532 0.244 -3.227 1.00 0.16 C ATOM 603 C ALA A 258 10.892 1.575 -3.609 1.00 0.17 C ATOM 604 O ALA A 258 10.502 1.775 -4.758 1.00 0.24 O ATOM 605 CB ALA A 258 12.490 -0.204 -4.316 1.00 0.22 C ATOM 0 H ALA A 258 10.264 -1.313 -3.833 1.00 0.14 H new ATOM 0 HA ALA A 258 12.086 0.384 -2.299 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.245 0.566 -4.476 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.976 -1.132 -4.014 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.938 -0.368 -5.241 1.00 0.22 H new ATOM 611 N LEU A 259 10.756 2.474 -2.640 1.00 0.13 N ATOM 612 CA LEU A 259 10.181 3.790 -2.899 1.00 0.15 C ATOM 613 C LEU A 259 10.626 4.788 -1.836 1.00 0.15 C ATOM 614 O LEU A 259 11.138 4.398 -0.792 1.00 0.18 O ATOM 615 CB LEU A 259 8.645 3.719 -3.004 1.00 0.20 C ATOM 616 CG LEU A 259 7.989 2.470 -2.413 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.218 2.392 -0.918 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.507 2.473 -2.722 1.00 0.55 C ATOM 0 H LEU A 259 11.035 2.317 -1.671 1.00 0.13 H new ATOM 0 HA LEU A 259 10.552 4.140 -3.862 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.226 4.594 -2.508 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.369 3.787 -4.056 1.00 0.20 H new ATOM 0 HG LEU A 259 8.446 1.591 -2.868 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.741 1.495 -0.523 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.288 2.353 -0.715 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.789 3.272 -0.438 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.045 1.581 -2.299 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.047 3.361 -2.288 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.361 2.479 -3.802 1.00 0.55 H new ATOM 630 N GLU A 260 10.419 6.065 -2.101 1.00 0.18 N ATOM 631 CA GLU A 260 10.914 7.115 -1.248 1.00 0.24 C ATOM 632 C GLU A 260 9.749 7.993 -0.810 1.00 0.20 C ATOM 633 O GLU A 260 8.590 7.686 -1.077 1.00 0.21 O ATOM 634 CB GLU A 260 11.995 7.923 -1.991 1.00 0.39 C ATOM 635 CG GLU A 260 11.516 9.250 -2.579 1.00 0.52 C ATOM 636 CD GLU A 260 12.507 9.870 -3.538 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.605 9.392 -4.692 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.207 10.824 -3.142 1.00 1.74 O ATOM 0 H GLU A 260 9.902 6.397 -2.915 1.00 0.18 H new ATOM 0 HA GLU A 260 11.376 6.693 -0.355 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.816 8.123 -1.303 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.397 7.309 -2.797 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.571 9.090 -3.097 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.320 9.950 -1.767 1.00 0.52 H new ATOM 645 N VAL A 261 10.060 9.049 -0.105 1.00 0.33 N ATOM 646 CA VAL A 261 9.071 9.981 0.379 1.00 0.32 C ATOM 647 C VAL A 261 8.417 10.786 -0.740 1.00 0.22 C ATOM 648 O VAL A 261 9.090 11.485 -1.499 1.00 0.28 O ATOM 649 CB VAL A 261 9.744 10.906 1.373 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.809 12.007 1.820 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.223 10.046 2.506 1.00 0.93 C ATOM 0 H VAL A 261 11.017 9.290 0.153 1.00 0.33 H new ATOM 0 HA VAL A 261 8.267 9.417 0.852 1.00 0.32 H new ATOM 0 HB VAL A 261 10.591 11.425 0.923 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.322 12.653 2.532 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.499 12.594 0.956 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.931 11.569 2.295 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.717 10.669 3.252 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.373 9.539 2.962 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.927 9.305 2.128 1.00 0.93 H new ATOM 661 N GLY A 262 7.099 10.676 -0.832 1.00 0.17 N ATOM 662 CA GLY A 262 6.349 11.466 -1.774 1.00 0.20 C ATOM 663 C GLY A 262 5.875 10.642 -2.940 1.00 0.22 C ATOM 664 O GLY A 262 5.214 11.147 -3.850 1.00 0.31 O ATOM 0 H GLY A 262 6.535 10.045 -0.262 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.491 11.913 -1.272 1.00 0.20 H new ATOM 0 HA3 GLY A 262 6.969 12.286 -2.136 1.00 0.20 H new ATOM 668 N GLU A 263 6.208 9.367 -2.908 1.00 0.16 N ATOM 669 CA GLU A 263 5.914 8.479 -4.006 1.00 0.18 C ATOM 670 C GLU A 263 4.576 7.792 -3.789 1.00 0.15 C ATOM 671 O GLU A 263 3.923 8.003 -2.766 1.00 0.19 O ATOM 672 CB GLU A 263 7.036 7.462 -4.111 1.00 0.23 C ATOM 673 CG GLU A 263 8.403 8.113 -4.038 1.00 0.26 C ATOM 674 CD GLU A 263 8.736 8.903 -5.288 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.308 10.072 -5.395 1.00 1.04 O ATOM 676 OE2 GLU A 263 9.423 8.357 -6.173 1.00 1.02 O ATOM 0 H GLU A 263 6.687 8.923 -2.124 1.00 0.16 H new ATOM 0 HA GLU A 263 5.844 9.043 -4.936 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.939 6.732 -3.308 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.944 6.917 -5.050 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.441 8.775 -3.173 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.160 7.344 -3.885 1.00 0.26 H new ATOM 683 N LEU A 264 4.173 6.965 -4.732 1.00 0.14 N ATOM 684 CA LEU A 264 2.893 6.283 -4.644 1.00 0.13 C ATOM 685 C LEU A 264 3.084 4.798 -4.908 1.00 0.15 C ATOM 686 O LEU A 264 4.055 4.400 -5.551 1.00 0.24 O ATOM 687 CB LEU A 264 1.918 6.881 -5.663 1.00 0.15 C ATOM 688 CG LEU A 264 0.446 6.515 -5.467 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.110 7.218 -4.245 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.360 6.870 -6.707 1.00 0.18 C ATOM 0 H LEU A 264 4.712 6.747 -5.570 1.00 0.14 H new ATOM 0 HA LEU A 264 2.481 6.413 -3.643 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.010 7.967 -5.633 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.223 6.563 -6.660 1.00 0.15 H new ATOM 0 HG LEU A 264 0.371 5.439 -5.310 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.159 6.949 -4.116 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.453 6.914 -3.363 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.025 8.297 -4.376 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.405 6.603 -6.550 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.284 7.941 -6.896 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.030 6.321 -7.564 1.00 0.18 H new ATOM 702 N VAL A 265 2.168 3.978 -4.418 1.00 0.14 N ATOM 703 CA VAL A 265 2.253 2.550 -4.644 1.00 0.15 C ATOM 704 C VAL A 265 0.851 1.998 -4.833 1.00 0.15 C ATOM 705 O VAL A 265 -0.111 2.543 -4.292 1.00 0.27 O ATOM 706 CB VAL A 265 2.982 1.813 -3.485 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.020 1.130 -2.532 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.946 0.791 -4.034 1.00 0.41 C ATOM 0 H VAL A 265 1.364 4.277 -3.866 1.00 0.14 H new ATOM 0 HA VAL A 265 2.846 2.378 -5.542 1.00 0.15 H new ATOM 0 HB VAL A 265 3.523 2.575 -2.924 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.582 0.631 -1.743 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.356 1.873 -2.090 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.429 0.394 -3.077 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.448 0.284 -3.210 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.400 0.060 -4.631 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.687 1.289 -4.659 1.00 0.41 H new ATOM 718 N LYS A 266 0.733 0.950 -5.615 1.00 0.13 N ATOM 719 CA LYS A 266 -0.543 0.304 -5.821 1.00 0.15 C ATOM 720 C LYS A 266 -0.560 -0.953 -4.971 1.00 0.13 C ATOM 721 O LYS A 266 0.044 -1.957 -5.323 1.00 0.14 O ATOM 722 CB LYS A 266 -0.731 -0.008 -7.322 1.00 0.24 C ATOM 723 CG LYS A 266 -2.098 -0.546 -7.722 1.00 0.85 C ATOM 724 CD LYS A 266 -2.259 -2.022 -7.402 1.00 0.49 C ATOM 725 CE LYS A 266 -1.109 -2.862 -7.954 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.002 -2.804 -9.436 1.00 1.32 N ATOM 0 H LYS A 266 1.510 0.525 -6.121 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.371 0.948 -5.524 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.540 0.903 -7.890 1.00 0.24 H new ATOM 0 HB3 LYS A 266 0.025 -0.734 -7.620 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.873 0.021 -7.206 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.247 -0.391 -8.791 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -2.316 -2.153 -6.321 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.201 -2.381 -7.817 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -0.173 -2.518 -7.515 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -1.244 -3.899 -7.646 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.112 -3.250 -9.738 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -1.805 -3.310 -9.862 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -1.014 -1.811 -9.746 1.00 1.32 H new ATOM 740 N VAL A 267 -1.228 -0.889 -3.837 1.00 0.16 N ATOM 741 CA VAL A 267 -1.257 -2.008 -2.923 1.00 0.16 C ATOM 742 C VAL A 267 -2.236 -3.065 -3.433 1.00 0.17 C ATOM 743 O VAL A 267 -3.450 -2.885 -3.383 1.00 0.25 O ATOM 744 CB VAL A 267 -1.646 -1.579 -1.493 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.321 -2.670 -0.503 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.957 -0.288 -1.084 1.00 0.63 C ATOM 0 H VAL A 267 -1.757 -0.073 -3.528 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.251 -2.424 -2.878 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.722 -1.402 -1.491 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.603 -2.348 0.499 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.873 -3.573 -0.762 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.251 -2.879 -0.530 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.257 -0.020 -0.071 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.124 -0.426 -1.117 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.242 0.510 -1.770 1.00 0.63 H new ATOM 756 N THR A 268 -1.691 -4.150 -3.954 1.00 0.15 N ATOM 757 CA THR A 268 -2.478 -5.238 -4.492 1.00 0.19 C ATOM 758 C THR A 268 -2.916 -6.194 -3.382 1.00 0.22 C ATOM 759 O THR A 268 -3.674 -7.135 -3.619 1.00 0.34 O ATOM 760 CB THR A 268 -1.668 -6.010 -5.563 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.397 -7.152 -6.032 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.313 -6.450 -5.013 1.00 0.29 C ATOM 0 H THR A 268 -0.684 -4.299 -4.015 1.00 0.15 H new ATOM 0 HA THR A 268 -3.369 -4.814 -4.956 1.00 0.19 H new ATOM 0 HB THR A 268 -1.501 -5.332 -6.400 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.022 -7.449 -5.338 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.235 -6.990 -5.785 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.258 -5.573 -4.708 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.464 -7.102 -4.152 1.00 0.29 H new ATOM 770 N LYS A 269 -2.450 -5.941 -2.168 1.00 0.18 N ATOM 771 CA LYS A 269 -2.684 -6.838 -1.065 1.00 0.20 C ATOM 772 C LYS A 269 -3.355 -6.098 0.075 1.00 0.22 C ATOM 773 O LYS A 269 -2.731 -5.295 0.738 1.00 0.35 O ATOM 774 CB LYS A 269 -1.339 -7.416 -0.638 1.00 0.23 C ATOM 775 CG LYS A 269 -1.391 -8.592 0.324 1.00 0.40 C ATOM 776 CD LYS A 269 -1.539 -9.933 -0.390 1.00 1.55 C ATOM 777 CE LYS A 269 -2.808 -10.024 -1.218 1.00 2.25 C ATOM 778 NZ LYS A 269 -3.067 -11.416 -1.667 1.00 2.84 N ATOM 0 H LYS A 269 -1.904 -5.113 -1.929 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.350 -7.648 -1.360 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.800 -7.728 -1.533 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.755 -6.620 -0.176 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.482 -8.604 0.926 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.226 -8.457 1.011 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.677 -10.091 -1.037 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.535 -10.735 0.349 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.654 -9.667 -0.630 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.725 -9.370 -2.086 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -3.941 -11.442 -2.230 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -2.271 -11.747 -2.248 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -3.171 -12.035 -0.838 1.00 2.84 H new ATOM 792 N ILE A 270 -4.637 -6.345 0.273 1.00 0.33 N ATOM 793 CA ILE A 270 -5.358 -5.719 1.372 1.00 0.39 C ATOM 794 C ILE A 270 -5.305 -6.624 2.585 1.00 0.55 C ATOM 795 O ILE A 270 -5.244 -7.847 2.443 1.00 0.73 O ATOM 796 CB ILE A 270 -6.846 -5.421 1.073 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.315 -5.993 -0.275 1.00 0.93 C ATOM 798 CG2 ILE A 270 -7.096 -3.931 1.144 1.00 1.09 C ATOM 799 CD1 ILE A 270 -6.789 -5.277 -1.502 1.00 1.90 C ATOM 0 H ILE A 270 -5.199 -6.969 -0.306 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.863 -4.762 1.541 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.437 -5.926 1.837 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.016 -7.040 -0.330 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -8.404 -5.970 -0.301 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -8.146 -3.728 0.932 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.850 -3.568 2.142 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.473 -3.422 0.409 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -7.179 -5.758 -2.399 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -7.109 -4.235 -1.481 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -5.700 -5.321 -1.510 1.00 1.90 H new ATOM 811 N ASN A 271 -5.343 -6.032 3.766 1.00 0.60 N ATOM 812 CA ASN A 271 -5.251 -6.802 4.994 1.00 0.82 C ATOM 813 C ASN A 271 -5.628 -5.971 6.210 1.00 0.70 C ATOM 814 O ASN A 271 -5.648 -4.739 6.157 1.00 0.87 O ATOM 815 CB ASN A 271 -3.847 -7.385 5.162 1.00 1.17 C ATOM 816 CG ASN A 271 -2.733 -6.398 4.876 1.00 1.58 C ATOM 817 OD1 ASN A 271 -1.687 -6.786 4.374 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.938 -5.125 5.189 1.00 1.88 N ATOM 0 H ASN A 271 -5.436 -5.025 3.901 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.966 -7.622 4.918 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.738 -7.755 6.181 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.739 -8.242 4.498 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.210 -4.433 5.012 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -3.824 -4.839 5.606 1.00 1.88 H new ATOM 825 N MET A 272 -5.881 -6.665 7.309 1.00 0.81 N ATOM 826 CA MET A 272 -6.380 -6.059 8.541 1.00 0.97 C ATOM 827 C MET A 272 -5.348 -5.165 9.219 1.00 1.02 C ATOM 828 O MET A 272 -5.678 -4.105 9.746 1.00 1.22 O ATOM 829 CB MET A 272 -6.769 -7.163 9.522 1.00 1.24 C ATOM 830 CG MET A 272 -5.599 -8.085 9.849 1.00 1.30 C ATOM 831 SD MET A 272 -5.881 -9.110 11.306 1.00 2.03 S ATOM 832 CE MET A 272 -7.277 -10.096 10.765 1.00 2.52 C ATOM 0 H MET A 272 -5.746 -7.674 7.375 1.00 0.81 H new ATOM 0 HA MET A 272 -7.236 -5.441 8.268 1.00 0.97 H new ATOM 0 HB2 MET A 272 -7.143 -6.713 10.442 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.585 -7.750 9.100 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.404 -8.730 8.992 1.00 1.30 H new ATOM 0 HG3 MET A 272 -4.704 -7.483 10.005 1.00 1.30 H new ATOM 0 HE1 MET A 272 -7.512 -10.841 11.525 1.00 2.52 H new ATOM 0 HE2 MET A 272 -8.141 -9.450 10.611 1.00 2.52 H new ATOM 0 HE3 MET A 272 -7.028 -10.598 9.830 1.00 2.52 H new ATOM 842 N SER A 273 -4.101 -5.605 9.188 1.00 0.93 N ATOM 843 CA SER A 273 -3.059 -5.061 10.051 1.00 1.02 C ATOM 844 C SER A 273 -2.692 -3.631 9.704 1.00 0.91 C ATOM 845 O SER A 273 -2.053 -2.941 10.497 1.00 1.14 O ATOM 846 CB SER A 273 -1.819 -5.948 9.958 1.00 1.14 C ATOM 847 OG SER A 273 -2.178 -7.319 9.979 1.00 1.50 O ATOM 0 H SER A 273 -3.780 -6.347 8.566 1.00 0.93 H new ATOM 0 HA SER A 273 -3.450 -5.048 11.068 1.00 1.02 H new ATOM 0 HB2 SER A 273 -1.274 -5.724 9.041 1.00 1.14 H new ATOM 0 HB3 SER A 273 -1.148 -5.730 10.789 1.00 1.14 H new ATOM 0 HG SER A 273 -1.370 -7.870 9.917 1.00 1.50 H new ATOM 853 N GLY A 274 -3.098 -3.183 8.531 1.00 0.64 N ATOM 854 CA GLY A 274 -2.624 -1.917 8.042 1.00 0.61 C ATOM 855 C GLY A 274 -1.284 -2.096 7.385 1.00 0.49 C ATOM 856 O GLY A 274 -0.711 -1.164 6.839 1.00 0.57 O ATOM 0 H GLY A 274 -3.745 -3.673 7.913 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.337 -1.502 7.329 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.544 -1.206 8.864 1.00 0.61 H new ATOM 860 N GLN A 275 -0.803 -3.330 7.415 1.00 0.41 N ATOM 861 CA GLN A 275 0.515 -3.643 6.908 1.00 0.40 C ATOM 862 C GLN A 275 0.362 -4.501 5.679 1.00 0.32 C ATOM 863 O GLN A 275 0.417 -5.726 5.753 1.00 0.41 O ATOM 864 CB GLN A 275 1.343 -4.365 7.971 1.00 0.56 C ATOM 865 CG GLN A 275 2.809 -4.523 7.597 1.00 0.69 C ATOM 866 CD GLN A 275 3.607 -5.284 8.639 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.721 -6.510 8.583 1.00 1.36 O ATOM 868 NE2 GLN A 275 4.163 -4.562 9.600 1.00 0.81 N ATOM 0 H GLN A 275 -1.312 -4.131 7.788 1.00 0.41 H new ATOM 0 HA GLN A 275 1.040 -2.723 6.651 1.00 0.40 H new ATOM 0 HB2 GLN A 275 1.273 -3.815 8.909 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.913 -5.351 8.147 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.881 -5.043 6.641 1.00 0.69 H new ATOM 0 HG3 GLN A 275 3.251 -3.537 7.457 1.00 0.69 H new ATOM 0 HE21 GLN A 275 4.045 -3.549 9.610 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.710 -5.019 10.330 1.00 0.81 H new ATOM 877 N TRP A 276 0.123 -3.844 4.562 1.00 0.22 N ATOM 878 CA TRP A 276 -0.212 -4.526 3.332 1.00 0.17 C ATOM 879 C TRP A 276 0.992 -4.669 2.434 1.00 0.15 C ATOM 880 O TRP A 276 2.073 -4.145 2.725 1.00 0.19 O ATOM 881 CB TRP A 276 -1.316 -3.780 2.588 1.00 0.18 C ATOM 882 CG TRP A 276 -1.539 -2.375 3.061 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.643 -1.344 3.012 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.738 -1.841 3.635 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.203 -0.208 3.541 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.491 -0.486 3.926 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.995 -2.379 3.939 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.454 0.340 4.502 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.950 -1.556 4.509 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.675 -0.213 4.787 1.00 0.47 C ATOM 0 H TRP A 276 0.156 -2.828 4.483 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.564 -5.522 3.599 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.072 -3.759 1.526 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.247 -4.337 2.690 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.359 -1.413 2.615 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.738 0.695 3.633 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.214 -3.416 3.732 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.246 1.378 4.716 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.925 -1.958 4.743 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.441 0.401 5.236 1.00 0.47 H new ATOM 901 N GLU A 277 0.791 -5.353 1.323 1.00 0.12 N ATOM 902 CA GLU A 277 1.845 -5.560 0.382 1.00 0.12 C ATOM 903 C GLU A 277 1.642 -4.640 -0.782 1.00 0.11 C ATOM 904 O GLU A 277 0.603 -4.667 -1.416 1.00 0.12 O ATOM 905 CB GLU A 277 1.860 -6.993 -0.121 1.00 0.14 C ATOM 906 CG GLU A 277 2.474 -8.005 0.832 1.00 0.19 C ATOM 907 CD GLU A 277 1.647 -8.311 2.061 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.731 -7.535 3.035 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.874 -9.280 2.037 1.00 1.55 O ATOM 0 H GLU A 277 -0.102 -5.771 1.061 1.00 0.12 H new ATOM 0 HA GLU A 277 2.795 -5.357 0.876 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.836 -7.296 -0.338 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.408 -7.025 -1.063 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.647 -8.934 0.289 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.449 -7.636 1.151 1.00 0.19 H new ATOM 916 N GLY A 278 2.647 -3.871 -1.090 1.00 0.13 N ATOM 917 CA GLY A 278 2.525 -2.907 -2.145 1.00 0.12 C ATOM 918 C GLY A 278 3.108 -3.416 -3.419 1.00 0.12 C ATOM 919 O GLY A 278 3.851 -4.398 -3.426 1.00 0.15 O ATOM 0 H GLY A 278 3.556 -3.892 -0.628 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.474 -2.663 -2.297 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.028 -1.984 -1.856 1.00 0.12 H new ATOM 923 N GLU A 279 2.774 -2.749 -4.488 1.00 0.11 N ATOM 924 CA GLU A 279 3.375 -3.021 -5.759 1.00 0.14 C ATOM 925 C GLU A 279 3.591 -1.692 -6.474 1.00 0.17 C ATOM 926 O GLU A 279 2.641 -0.960 -6.747 1.00 0.20 O ATOM 927 CB GLU A 279 2.464 -3.972 -6.550 1.00 0.20 C ATOM 928 CG GLU A 279 3.054 -4.486 -7.850 1.00 0.31 C ATOM 929 CD GLU A 279 2.797 -3.556 -9.018 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.631 -3.456 -9.459 1.00 1.27 O ATOM 931 OE2 GLU A 279 3.756 -2.927 -9.496 1.00 2.07 O ATOM 0 H GLU A 279 2.078 -2.003 -4.501 1.00 0.11 H new ATOM 0 HA GLU A 279 4.342 -3.512 -5.652 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.217 -4.825 -5.918 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.529 -3.457 -6.771 1.00 0.20 H new ATOM 0 HG2 GLU A 279 4.129 -4.621 -7.728 1.00 0.31 H new ATOM 0 HG3 GLU A 279 2.633 -5.467 -8.072 1.00 0.31 H new ATOM 938 N CYS A 280 4.844 -1.371 -6.743 1.00 0.20 N ATOM 939 CA CYS A 280 5.180 -0.116 -7.397 1.00 0.27 C ATOM 940 C CYS A 280 5.841 -0.362 -8.730 1.00 0.29 C ATOM 941 O CYS A 280 7.056 -0.544 -8.797 1.00 0.33 O ATOM 942 CB CYS A 280 6.134 0.704 -6.523 1.00 0.39 C ATOM 943 SG CYS A 280 6.420 2.391 -7.110 1.00 0.51 S ATOM 0 H CYS A 280 5.646 -1.960 -6.520 1.00 0.20 H new ATOM 0 HA CYS A 280 4.251 0.433 -7.550 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.733 0.748 -5.510 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.091 0.185 -6.465 1.00 0.39 H new ATOM 0 HG CYS A 280 5.572 3.197 -6.543 1.00 0.51 H new ATOM 949 N ASN A 281 5.040 -0.352 -9.785 1.00 0.37 N ATOM 950 CA ASN A 281 5.546 -0.494 -11.145 1.00 0.49 C ATOM 951 C ASN A 281 6.491 -1.689 -11.239 1.00 0.45 C ATOM 952 O ASN A 281 7.498 -1.655 -11.948 1.00 0.53 O ATOM 953 CB ASN A 281 6.257 0.789 -11.583 1.00 0.63 C ATOM 954 CG ASN A 281 5.398 2.035 -11.416 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.920 3.123 -11.171 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.079 1.891 -11.535 1.00 0.97 N ATOM 0 H ASN A 281 4.027 -0.246 -9.725 1.00 0.37 H new ATOM 0 HA ASN A 281 4.704 -0.669 -11.814 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.173 0.906 -11.003 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.551 0.695 -12.628 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.466 2.698 -11.423 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.682 0.974 -11.739 1.00 0.97 H new ATOM 963 N GLY A 282 6.141 -2.749 -10.529 1.00 0.37 N ATOM 964 CA GLY A 282 6.918 -3.959 -10.552 1.00 0.39 C ATOM 965 C GLY A 282 7.719 -4.218 -9.293 1.00 0.34 C ATOM 966 O GLY A 282 8.292 -5.301 -9.145 1.00 0.46 O ATOM 0 H GLY A 282 5.317 -2.787 -9.929 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.248 -4.802 -10.721 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.601 -3.920 -11.400 1.00 0.39 H new ATOM 970 N LYS A 283 7.769 -3.264 -8.374 1.00 0.25 N ATOM 971 CA LYS A 283 8.294 -3.556 -7.057 1.00 0.23 C ATOM 972 C LYS A 283 7.175 -4.099 -6.209 1.00 0.14 C ATOM 973 O LYS A 283 6.051 -3.629 -6.295 1.00 0.17 O ATOM 974 CB LYS A 283 8.867 -2.320 -6.374 1.00 0.33 C ATOM 975 CG LYS A 283 9.811 -1.531 -7.245 1.00 0.74 C ATOM 976 CD LYS A 283 9.526 -0.059 -7.079 1.00 0.61 C ATOM 977 CE LYS A 283 10.547 0.816 -7.770 1.00 1.28 C ATOM 978 NZ LYS A 283 10.374 0.829 -9.246 1.00 1.93 N ATOM 0 H LYS A 283 7.459 -2.303 -8.515 1.00 0.25 H new ATOM 0 HA LYS A 283 9.103 -4.278 -7.170 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.046 -1.673 -6.064 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.391 -2.626 -5.469 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.844 -1.747 -6.971 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.691 -1.822 -8.289 1.00 0.74 H new ATOM 0 HD2 LYS A 283 8.536 0.162 -7.477 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.504 0.185 -6.017 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.467 1.834 -7.388 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.549 0.462 -7.527 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.096 1.442 -9.675 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 10.476 -0.138 -9.616 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.428 1.192 -9.481 1.00 1.93 H new ATOM 992 N ARG A 284 7.483 -5.076 -5.403 1.00 0.16 N ATOM 993 CA ARG A 284 6.526 -5.630 -4.477 1.00 0.12 C ATOM 994 C ARG A 284 7.093 -5.448 -3.079 1.00 0.13 C ATOM 995 O ARG A 284 8.208 -4.960 -2.949 1.00 0.20 O ATOM 996 CB ARG A 284 6.286 -7.109 -4.793 1.00 0.18 C ATOM 997 CG ARG A 284 5.339 -7.819 -3.837 1.00 0.21 C ATOM 998 CD ARG A 284 3.881 -7.483 -4.094 1.00 0.26 C ATOM 999 NE ARG A 284 2.997 -8.281 -3.244 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.019 -9.060 -3.709 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.815 -9.163 -5.016 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.265 -9.762 -2.873 1.00 0.67 N ATOM 0 H ARG A 284 8.404 -5.513 -5.367 1.00 0.16 H new ATOM 0 HA ARG A 284 5.563 -5.125 -4.555 1.00 0.12 H new ATOM 0 HB2 ARG A 284 5.888 -7.190 -5.804 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.244 -7.628 -4.785 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.480 -8.896 -3.927 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.594 -7.548 -2.812 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.711 -6.423 -3.906 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.643 -7.664 -5.142 1.00 0.26 H new ATOM 0 HE ARG A 284 3.137 -8.239 -2.235 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.406 -8.646 -5.667 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.067 -9.759 -5.370 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.431 -9.708 -1.868 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.519 -10.356 -3.235 1.00 0.67 H new ATOM 1016 N GLY A 285 6.320 -5.754 -2.053 1.00 0.14 N ATOM 1017 CA GLY A 285 6.852 -5.751 -0.709 1.00 0.18 C ATOM 1018 C GLY A 285 5.748 -5.639 0.288 1.00 0.14 C ATOM 1019 O GLY A 285 4.604 -5.852 -0.065 1.00 0.15 O ATOM 0 H GLY A 285 5.334 -6.004 -2.126 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.418 -6.666 -0.533 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.546 -4.919 -0.588 1.00 0.18 H new ATOM 1023 N HIS A 286 6.067 -5.293 1.516 1.00 0.15 N ATOM 1024 CA HIS A 286 5.047 -5.093 2.522 1.00 0.13 C ATOM 1025 C HIS A 286 5.500 -4.037 3.517 1.00 0.15 C ATOM 1026 O HIS A 286 6.616 -4.098 4.035 1.00 0.20 O ATOM 1027 CB HIS A 286 4.720 -6.416 3.217 1.00 0.18 C ATOM 1028 CG HIS A 286 5.826 -6.988 4.045 1.00 0.26 C ATOM 1029 ND1 HIS A 286 7.079 -7.293 3.562 1.00 0.75 N ATOM 1030 CD2 HIS A 286 5.843 -7.314 5.339 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.815 -7.782 4.541 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.086 -7.811 5.638 1.00 0.52 N ATOM 0 H HIS A 286 7.022 -5.145 1.841 1.00 0.15 H new ATOM 0 HA HIS A 286 4.135 -4.737 2.044 1.00 0.13 H new ATOM 0 HB2 HIS A 286 3.849 -6.268 3.855 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.439 -7.147 2.459 1.00 0.18 H new ATOM 0 HD1 HIS A 286 7.389 -7.161 2.599 1.00 0.75 H new ATOM 0 HD2 HIS A 286 5.021 -7.205 6.031 1.00 0.67 H new ATOM 0 HE1 HIS A 286 8.842 -8.104 4.458 1.00 0.65 H new ATOM 1041 N PHE A 287 4.640 -3.064 3.754 1.00 0.14 N ATOM 1042 CA PHE A 287 4.962 -1.944 4.629 1.00 0.17 C ATOM 1043 C PHE A 287 3.712 -1.463 5.362 1.00 0.20 C ATOM 1044 O PHE A 287 2.616 -1.487 4.805 1.00 0.29 O ATOM 1045 CB PHE A 287 5.611 -0.796 3.835 1.00 0.20 C ATOM 1046 CG PHE A 287 7.069 -1.011 3.545 1.00 0.17 C ATOM 1047 CD1 PHE A 287 7.990 -1.063 4.581 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.521 -1.145 2.245 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.332 -1.249 4.322 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.862 -1.328 1.981 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.770 -1.381 3.021 1.00 0.30 C ATOM 0 H PHE A 287 3.704 -3.024 3.350 1.00 0.14 H new ATOM 0 HA PHE A 287 5.683 -2.285 5.372 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.077 -0.670 2.893 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.494 0.132 4.394 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.653 -0.957 5.601 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.816 -1.106 1.428 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.039 -1.291 5.137 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.203 -1.430 0.961 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.820 -1.525 2.816 1.00 0.30 H new ATOM 1061 N PRO A 288 3.872 -1.025 6.623 1.00 0.22 N ATOM 1062 CA PRO A 288 2.750 -0.682 7.503 1.00 0.26 C ATOM 1063 C PRO A 288 2.095 0.665 7.186 1.00 0.24 C ATOM 1064 O PRO A 288 2.664 1.514 6.491 1.00 0.28 O ATOM 1065 CB PRO A 288 3.382 -0.639 8.905 1.00 0.33 C ATOM 1066 CG PRO A 288 4.795 -1.100 8.735 1.00 0.54 C ATOM 1067 CD PRO A 288 5.154 -0.840 7.305 1.00 0.32 C ATOM 0 HA PRO A 288 1.944 -1.408 7.391 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.348 0.369 9.318 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.841 -1.285 9.597 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.463 -0.562 9.407 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.889 -2.160 8.973 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.550 0.165 7.161 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.911 -1.535 6.943 1.00 0.32 H new ATOM 1075 N PHE A 289 0.903 0.843 7.750 1.00 0.31 N ATOM 1076 CA PHE A 289 0.078 2.030 7.552 1.00 0.37 C ATOM 1077 C PHE A 289 0.640 3.209 8.354 1.00 0.33 C ATOM 1078 O PHE A 289 0.155 4.337 8.266 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.348 1.712 8.017 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.434 2.533 7.377 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.108 3.494 6.434 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -3.767 2.363 7.718 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.086 4.266 5.843 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -4.751 3.133 7.132 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.471 4.011 6.197 1.00 0.50 C ATOM 0 H PHE A 289 0.476 0.153 8.369 1.00 0.31 H new ATOM 0 HA PHE A 289 0.076 2.306 6.497 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.549 0.659 7.821 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.399 1.851 9.097 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.074 3.641 6.158 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -4.039 1.618 8.452 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -2.829 5.040 5.135 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -5.776 3.010 7.450 1.00 1.12 H new ATOM 0 HZ PHE A 289 -5.266 4.541 5.694 1.00 0.50 H new ATOM 1095 N THR A 290 1.671 2.927 9.137 1.00 0.33 N ATOM 1096 CA THR A 290 2.209 3.866 10.105 1.00 0.41 C ATOM 1097 C THR A 290 2.967 5.038 9.467 1.00 0.38 C ATOM 1098 O THR A 290 3.210 6.050 10.127 1.00 0.57 O ATOM 1099 CB THR A 290 3.141 3.120 11.068 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.021 2.274 10.322 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.349 2.276 12.053 1.00 0.61 C ATOM 0 H THR A 290 2.160 2.032 9.117 1.00 0.33 H new ATOM 0 HA THR A 290 1.358 4.296 10.634 1.00 0.41 H new ATOM 0 HB THR A 290 3.715 3.858 11.628 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.618 1.799 10.937 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.036 1.759 12.723 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.689 2.919 12.635 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.753 1.544 11.508 1.00 0.61 H new ATOM 1109 N HIS A 291 3.328 4.919 8.193 1.00 0.25 N ATOM 1110 CA HIS A 291 4.100 5.964 7.522 1.00 0.26 C ATOM 1111 C HIS A 291 3.745 6.008 6.048 1.00 0.23 C ATOM 1112 O HIS A 291 4.580 6.287 5.184 1.00 0.26 O ATOM 1113 CB HIS A 291 5.620 5.796 7.738 1.00 0.35 C ATOM 1114 CG HIS A 291 6.144 4.387 7.660 1.00 0.40 C ATOM 1115 ND1 HIS A 291 6.960 3.936 6.649 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.009 3.349 8.513 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.297 2.681 6.883 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.737 2.299 8.012 1.00 0.88 N ATOM 0 H HIS A 291 3.101 4.116 7.606 1.00 0.25 H new ATOM 0 HA HIS A 291 3.832 6.920 7.971 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.142 6.399 6.994 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.876 6.204 8.716 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.259 4.486 5.843 1.00 1.01 H new ATOM 0 HD2 HIS A 291 5.432 3.346 9.426 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.927 2.070 6.254 1.00 0.72 H new ATOM 1127 N VAL A 292 2.479 5.725 5.780 1.00 0.21 N ATOM 1128 CA VAL A 292 1.912 5.849 4.451 1.00 0.21 C ATOM 1129 C VAL A 292 0.568 6.568 4.529 1.00 0.24 C ATOM 1130 O VAL A 292 0.022 6.752 5.619 1.00 0.32 O ATOM 1131 CB VAL A 292 1.713 4.472 3.792 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.045 3.766 3.623 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.760 3.620 4.604 1.00 0.51 C ATOM 0 H VAL A 292 1.815 5.402 6.484 1.00 0.21 H new ATOM 0 HA VAL A 292 2.610 6.423 3.842 1.00 0.21 H new ATOM 0 HB VAL A 292 1.276 4.626 2.806 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.885 2.794 3.156 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.699 4.369 2.993 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.510 3.627 4.599 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.635 2.652 4.119 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.165 3.475 5.605 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.206 4.119 4.672 1.00 0.51 H new ATOM 1143 N ARG A 293 0.058 6.994 3.385 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.232 7.669 3.316 1.00 0.24 C ATOM 1145 C ARG A 293 -2.063 7.088 2.195 1.00 0.24 C ATOM 1146 O ARG A 293 -1.795 7.333 1.032 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.021 9.158 3.082 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.309 9.845 4.232 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.217 9.933 5.449 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.628 10.714 6.533 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.012 10.183 7.589 1.00 0.61 C ATOM 1152 NH1 ARG A 293 0.187 8.871 7.654 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.419 10.965 8.574 1.00 0.74 N ATOM 0 H ARG A 293 0.521 6.884 2.483 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.759 7.523 4.259 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.443 9.298 2.169 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -1.988 9.636 2.924 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.597 9.295 4.487 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.000 10.845 3.929 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -2.167 10.381 5.158 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.436 8.927 5.808 1.00 0.45 H new ATOM 0 HE ARG A 293 -0.692 11.731 6.479 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.132 8.269 6.895 1.00 0.69 H new ATOM 0 HH12 ARG A 293 0.659 8.466 8.463 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.279 11.974 8.523 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.890 10.556 9.381 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.082 6.341 2.539 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.762 5.523 1.556 1.00 0.26 C ATOM 1169 C LEU A 294 -4.772 6.305 0.748 1.00 0.27 C ATOM 1170 O LEU A 294 -5.494 7.171 1.247 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.416 4.336 2.237 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.729 3.146 1.359 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.444 2.426 1.046 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.727 2.225 2.046 1.00 1.31 C ATOM 0 H LEU A 294 -3.460 6.280 3.484 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.012 5.166 0.850 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.763 4.003 3.044 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.344 4.675 2.697 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.186 3.480 0.428 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -3.655 1.564 0.413 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -2.766 3.102 0.525 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -2.980 2.090 1.973 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -5.941 1.374 1.400 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.306 1.870 2.987 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.649 2.771 2.244 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.789 5.950 -0.512 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.572 6.589 -1.527 1.00 0.31 C ATOM 1188 C LEU A 295 -6.708 5.696 -1.987 1.00 0.36 C ATOM 1189 O LEU A 295 -7.301 5.952 -3.021 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.687 6.906 -2.714 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.025 8.276 -2.724 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.009 8.403 -1.600 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.375 8.491 -4.071 1.00 0.39 C ATOM 0 H LEU A 295 -4.232 5.174 -0.869 1.00 0.27 H new ATOM 0 HA LEU A 295 -5.995 7.502 -1.108 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.904 6.149 -2.767 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.285 6.810 -3.620 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.780 9.044 -2.558 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.552 9.392 -1.632 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.508 8.265 -0.641 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.237 7.643 -1.720 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.896 9.470 -4.092 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.626 7.717 -4.241 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.133 8.441 -4.853 1.00 0.39 H new ATOM 1205 N ASP A 296 -6.896 4.594 -1.275 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.122 3.777 -1.328 1.00 0.66 C ATOM 1207 C ASP A 296 -8.502 3.330 -2.757 1.00 0.86 C ATOM 1208 O ASP A 296 -7.818 3.631 -3.737 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.271 4.556 -0.674 1.00 1.02 C ATOM 1210 CG ASP A 296 -10.442 3.681 -0.258 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -10.271 2.448 -0.216 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -11.538 4.220 0.011 1.00 1.97 O ATOM 0 H ASP A 296 -6.195 4.228 -0.630 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.928 2.857 -0.777 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -8.890 5.080 0.203 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -9.626 5.316 -1.370 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.556 2.545 -2.851 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.055 2.068 -4.138 1.00 0.87 C ATOM 1219 C GLN A 297 -11.368 2.745 -4.536 1.00 1.60 C ATOM 1220 O GLN A 297 -11.440 3.261 -5.672 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.208 0.540 -4.147 1.00 1.01 C ATOM 1222 CG GLN A 297 -10.544 -0.102 -2.805 1.00 2.20 C ATOM 1223 CD GLN A 297 -12.011 -0.025 -2.420 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -12.810 -0.887 -2.804 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -12.364 0.961 -1.609 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.311 2.767 -3.723 1.00 2.17 O ATOM 0 H GLN A 297 -10.092 2.218 -2.047 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.308 2.342 -4.883 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -10.989 0.276 -4.860 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.280 0.103 -4.515 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -10.243 -1.149 -2.832 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -9.951 0.380 -2.027 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -11.674 1.652 -1.316 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -13.326 1.029 -1.278 1.00 3.77 H new