USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 692 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 218 LYS NZ :NH3+ 167:sc= 1.17 (180deg=-0.162) USER MOD Set 1.2: A 295 THR OG1 : rot -146:sc= -1.03! USER MOD Set 2.1: A 286 CYS SG : rot 52:sc= -2.67! USER MOD Set 2.2: A 293 CYS SG : rot 64:sc= -3.37! USER MOD Set 3.1: A 276 CYS SG : rot 18:sc= -2.37! USER MOD Set 3.2: A 284 TYR OH : rot 125:sc= 1.41 USER MOD Set 4.1: A 258 SER OG : rot 180:sc= 0.268 USER MOD Set 4.2: A 259 LYS NZ :NH3+ -156:sc= -0.386 (180deg=-1.17) USER MOD Set 5.1: A 248 LYS NZ :NH3+ 178:sc= 1.07 (180deg=0) USER MOD Set 5.2: A 260 TYR OH : rot 130:sc= 1.06 USER MOD Set 6.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 270 THR OG1 : rot 180:sc= -0.0229 USER MOD Set 7.1: A 230 LYS NZ :NH3+ -163:sc= -0.0224 (180deg=-0.261) USER MOD Set 7.2: A 274 SER OG : rot 114:sc= 0.451 USER MOD Single : A 216 GLN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 217 LYS NZ :NH3+ -167:sc=-0.00612 (180deg=-0.118) USER MOD Single : A 223 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ -135:sc= 0.629 (180deg=-0.266) USER MOD Single : A 229 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.063) USER MOD Single : A 240 HIS :FLIP no HE2:sc= -0.182 F(o=-2.1,f=-0.18) USER MOD Single : A 245 LYS NZ :NH3+ -107:sc= 1.27 (180deg=0.102) USER MOD Single : A 249 ASN :FLIP amide:sc= -2.12! C(o=-4.1!,f=-2.1!) USER MOD Single : A 251 GLN :FLIP amide:sc= -1.04 F(o=-3.7!,f=-1) USER MOD Single : A 254 GLN : amide:sc=-0.000501 X(o=-0.0005,f=0) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot -10:sc= 0.762 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ -144:sc= 1.28 (180deg=-0.625) USER MOD Single : A 272 THR OG1 : rot 169:sc= -0.319 USER MOD Single : A 275 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 277 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 285 GLN :FLIP amide:sc= -9.76! C(o=-15!,f=-9.8!) USER MOD Single : A 292 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0168) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.365 -3.637 0.511 1.00 0.50 N ATOM 98 CA ALA A 214 12.913 -2.364 0.980 1.00 0.39 C ATOM 99 C ALA A 214 11.908 -1.536 1.781 1.00 0.25 C ATOM 100 O ALA A 214 12.212 -0.413 2.183 1.00 0.27 O ATOM 101 CB ALA A 214 13.435 -1.546 -0.178 1.00 0.48 C ATOM 0 HA ALA A 214 13.732 -2.618 1.652 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.838 -0.604 0.194 1.00 0.48 H new ATOM 0 HB2 ALA A 214 14.222 -2.100 -0.689 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.622 -1.343 -0.876 1.00 0.48 H new ATOM 107 N PHE A 215 10.812 -2.148 2.191 1.00 0.25 N ATOM 108 CA PHE A 215 9.966 -1.528 3.181 1.00 0.18 C ATOM 109 C PHE A 215 10.438 -2.037 4.521 1.00 0.21 C ATOM 110 O PHE A 215 10.228 -3.208 4.839 1.00 0.28 O ATOM 111 CB PHE A 215 8.474 -1.866 2.983 1.00 0.20 C ATOM 112 CG PHE A 215 7.884 -1.425 1.665 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.361 -1.928 0.464 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.866 -0.496 1.624 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.826 -1.516 -0.739 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.328 -0.081 0.425 1.00 0.31 C ATOM 117 CZ PHE A 215 6.788 -0.633 -0.763 1.00 0.35 C ATOM 0 H PHE A 215 10.495 -3.058 1.858 1.00 0.25 H new ATOM 0 HA PHE A 215 10.041 -0.444 3.101 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.347 -2.944 3.077 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.904 -1.406 3.790 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.162 -2.652 0.470 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.484 -0.087 2.547 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.231 -1.895 -1.666 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.552 0.670 0.410 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.326 -0.364 -1.701 1.00 0.35 H new ATOM 127 N GLN A 216 11.175 -1.188 5.233 1.00 0.18 N ATOM 128 CA GLN A 216 11.753 -1.523 6.530 1.00 0.21 C ATOM 129 C GLN A 216 10.766 -2.341 7.334 1.00 0.24 C ATOM 130 O GLN A 216 10.993 -3.517 7.627 1.00 0.31 O ATOM 131 CB GLN A 216 12.055 -0.235 7.283 1.00 0.20 C ATOM 132 CG GLN A 216 13.413 -0.217 7.957 1.00 0.25 C ATOM 133 CD GLN A 216 13.504 0.851 9.023 1.00 0.30 C ATOM 134 OE1 GLN A 216 12.873 0.745 10.071 1.00 0.92 O ATOM 135 NE2 GLN A 216 14.276 1.890 8.760 1.00 0.79 N ATOM 0 H GLN A 216 11.389 -0.240 4.922 1.00 0.18 H new ATOM 0 HA GLN A 216 12.667 -2.098 6.383 1.00 0.21 H new ATOM 0 HB2 GLN A 216 11.995 0.602 6.588 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.284 -0.079 8.038 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.609 -1.192 8.403 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.187 -0.048 7.208 1.00 0.25 H new ATOM 0 HE21 GLN A 216 14.783 1.938 7.876 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.365 2.644 9.441 1.00 0.79 H new ATOM 144 N LYS A 217 9.584 -1.776 7.461 1.00 0.20 N ATOM 145 CA LYS A 217 8.444 -2.502 7.952 1.00 0.22 C ATOM 146 C LYS A 217 7.238 -2.191 7.072 1.00 0.17 C ATOM 147 O LYS A 217 6.770 -1.053 7.048 1.00 0.17 O ATOM 148 CB LYS A 217 8.167 -2.100 9.402 1.00 0.28 C ATOM 149 CG LYS A 217 6.851 -2.622 9.943 1.00 0.36 C ATOM 150 CD LYS A 217 6.523 -2.009 11.293 1.00 0.59 C ATOM 151 CE LYS A 217 7.405 -2.561 12.400 1.00 1.26 C ATOM 152 NZ LYS A 217 7.109 -3.989 12.704 1.00 1.85 N ATOM 0 H LYS A 217 9.392 -0.802 7.226 1.00 0.20 H new ATOM 0 HA LYS A 217 8.642 -3.573 7.920 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.978 -2.466 10.032 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.173 -1.012 9.475 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.052 -2.398 9.237 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.899 -3.707 10.037 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.644 -0.927 11.239 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.477 -2.201 11.533 1.00 0.59 H new ATOM 0 HE2 LYS A 217 8.451 -2.464 12.110 1.00 1.26 H new ATOM 0 HE3 LYS A 217 7.267 -1.964 13.302 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 7.569 -4.256 13.597 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 6.081 -4.119 12.792 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 7.470 -4.590 11.935 1.00 1.85 H new ATOM 166 N LYS A 218 6.617 -3.223 6.527 1.00 0.19 N ATOM 167 CA LYS A 218 5.328 -3.047 5.885 1.00 0.20 C ATOM 168 C LYS A 218 4.259 -3.314 6.935 1.00 0.18 C ATOM 169 O LYS A 218 4.482 -4.112 7.847 1.00 0.20 O ATOM 170 CB LYS A 218 5.159 -3.961 4.643 1.00 0.31 C ATOM 171 CG LYS A 218 3.810 -3.801 3.945 1.00 0.39 C ATOM 172 CD LYS A 218 2.800 -4.819 4.436 1.00 0.96 C ATOM 173 CE LYS A 218 3.122 -6.217 3.955 1.00 1.56 C ATOM 174 NZ LYS A 218 2.403 -7.250 4.743 1.00 2.42 N ATOM 0 H LYS A 218 6.978 -4.177 6.516 1.00 0.19 H new ATOM 0 HA LYS A 218 5.239 -2.030 5.504 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.955 -3.743 3.931 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.280 -5.000 4.948 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.427 -2.795 4.119 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.942 -3.910 2.869 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.775 -4.808 5.526 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.805 -4.537 4.091 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.854 -6.310 2.903 1.00 1.56 H new ATOM 0 HE3 LYS A 218 4.196 -6.388 4.026 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.470 -8.167 4.256 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.832 -7.327 5.687 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.403 -6.980 4.838 1.00 2.42 H new ATOM 188 N LEU A 219 3.166 -2.567 6.881 1.00 0.16 N ATOM 189 CA LEU A 219 2.110 -2.663 7.882 1.00 0.16 C ATOM 190 C LEU A 219 1.570 -4.096 7.969 1.00 0.16 C ATOM 191 O LEU A 219 1.902 -4.939 7.139 1.00 0.17 O ATOM 192 CB LEU A 219 0.979 -1.696 7.541 1.00 0.20 C ATOM 193 CG LEU A 219 0.181 -1.167 8.734 1.00 0.66 C ATOM 194 CD1 LEU A 219 1.054 -0.288 9.619 1.00 1.20 C ATOM 195 CD2 LEU A 219 -1.040 -0.398 8.254 1.00 1.62 C ATOM 0 H LEU A 219 2.985 -1.881 6.148 1.00 0.16 H new ATOM 0 HA LEU A 219 2.529 -2.396 8.852 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.401 -0.847 7.003 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.291 -2.195 6.859 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.156 -2.017 9.327 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.467 0.078 10.461 1.00 1.20 H new ATOM 0 HD12 LEU A 219 1.898 -0.870 9.990 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.423 0.558 9.040 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -1.598 -0.028 9.114 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.721 0.443 7.639 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.677 -1.058 7.665 1.00 1.62 H new ATOM 207 N GLU A 220 0.814 -4.393 9.019 1.00 0.17 N ATOM 208 CA GLU A 220 0.278 -5.739 9.226 1.00 0.20 C ATOM 209 C GLU A 220 -0.359 -6.289 7.944 1.00 0.19 C ATOM 210 O GLU A 220 -0.915 -5.531 7.153 1.00 0.19 O ATOM 211 CB GLU A 220 -0.765 -5.710 10.338 1.00 0.23 C ATOM 212 CG GLU A 220 -1.928 -4.775 10.049 1.00 0.24 C ATOM 213 CD GLU A 220 -2.996 -4.847 11.116 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.552 -5.943 11.337 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.296 -3.802 11.730 1.00 1.12 O ATOM 0 H GLU A 220 0.556 -3.722 9.742 1.00 0.17 H new ATOM 0 HA GLU A 220 1.104 -6.393 9.506 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.149 -6.718 10.493 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.286 -5.405 11.268 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.560 -3.752 9.974 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.364 -5.028 9.083 1.00 0.24 H new ATOM 222 N PRO A 221 -0.196 -7.601 7.674 1.00 0.22 N ATOM 223 CA PRO A 221 -0.677 -8.243 6.433 1.00 0.23 C ATOM 224 C PRO A 221 -2.196 -8.246 6.273 1.00 0.20 C ATOM 225 O PRO A 221 -2.719 -9.011 5.477 1.00 0.19 O ATOM 226 CB PRO A 221 -0.162 -9.682 6.545 1.00 0.29 C ATOM 227 CG PRO A 221 0.950 -9.617 7.532 1.00 0.57 C ATOM 228 CD PRO A 221 0.553 -8.551 8.512 1.00 0.26 C ATOM 0 HA PRO A 221 -0.318 -7.696 5.561 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -0.949 -10.358 6.881 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.187 -10.053 5.581 1.00 0.29 H new ATOM 0 HG2 PRO A 221 1.089 -10.576 8.030 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.894 -9.371 7.045 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.062 -8.951 9.318 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.422 -8.084 8.976 1.00 0.26 H new ATOM 236 N ALA A 222 -2.863 -7.268 6.858 1.00 0.20 N ATOM 237 CA ALA A 222 -4.283 -7.071 6.639 1.00 0.19 C ATOM 238 C ALA A 222 -4.640 -5.608 6.823 1.00 0.15 C ATOM 239 O ALA A 222 -4.979 -5.163 7.921 1.00 0.17 O ATOM 240 CB ALA A 222 -5.107 -7.941 7.567 1.00 0.24 C ATOM 0 H ALA A 222 -2.439 -6.593 7.494 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.515 -7.365 5.615 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.167 -7.771 7.379 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.870 -8.990 7.388 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.877 -7.689 8.602 1.00 0.24 H new ATOM 246 N TYR A 223 -4.587 -4.870 5.731 1.00 0.12 N ATOM 247 CA TYR A 223 -4.966 -3.470 5.742 1.00 0.11 C ATOM 248 C TYR A 223 -6.486 -3.370 5.694 1.00 0.13 C ATOM 249 O TYR A 223 -7.130 -4.064 4.903 1.00 0.17 O ATOM 250 CB TYR A 223 -4.366 -2.731 4.539 1.00 0.12 C ATOM 251 CG TYR A 223 -2.854 -2.562 4.552 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.062 -3.460 5.252 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.221 -1.503 3.910 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.688 -3.315 5.309 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.843 -1.352 3.967 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.088 -2.243 4.477 1.00 0.16 C ATOM 257 OH TYR A 223 1.277 -2.123 4.740 1.00 0.21 O ATOM 0 H TYR A 223 -4.284 -5.218 4.821 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.585 -3.008 6.652 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.645 -3.267 3.632 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.823 -1.743 4.479 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.528 -4.290 5.763 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.812 -0.787 3.358 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.079 -3.954 5.931 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.397 -0.453 3.567 1.00 0.20 H new ATOM 0 HH TYR A 223 1.656 -1.412 4.182 1.00 0.21 H new ATOM 267 N GLN A 224 -7.062 -2.551 6.556 1.00 0.15 N ATOM 268 CA GLN A 224 -8.505 -2.403 6.594 1.00 0.18 C ATOM 269 C GLN A 224 -8.930 -1.010 6.154 1.00 0.17 C ATOM 270 O GLN A 224 -8.716 -0.030 6.868 1.00 0.22 O ATOM 271 CB GLN A 224 -9.054 -2.710 7.987 1.00 0.26 C ATOM 272 CG GLN A 224 -9.119 -4.196 8.302 1.00 0.34 C ATOM 273 CD GLN A 224 -9.767 -4.478 9.642 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.231 -4.129 10.694 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.944 -5.082 9.614 1.00 0.99 N ATOM 0 H GLN A 224 -6.556 -1.982 7.235 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.924 -3.124 5.892 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.429 -2.216 8.731 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.053 -2.284 8.076 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.678 -4.706 7.517 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -8.111 -4.610 8.296 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -11.356 -5.356 8.722 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -11.440 -5.274 10.485 1.00 0.99 H new ATOM 284 N VAL A 225 -9.538 -0.939 4.972 1.00 0.16 N ATOM 285 CA VAL A 225 -10.027 0.318 4.427 1.00 0.18 C ATOM 286 C VAL A 225 -11.136 0.868 5.285 1.00 0.24 C ATOM 287 O VAL A 225 -12.177 0.248 5.372 1.00 0.30 O ATOM 288 CB VAL A 225 -10.636 0.149 3.014 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.868 1.508 2.358 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.785 -0.749 2.138 1.00 0.77 C ATOM 0 H VAL A 225 -9.703 -1.747 4.371 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.162 0.981 4.393 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.603 -0.341 3.128 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.296 1.365 1.366 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.555 2.094 2.969 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.919 2.037 2.270 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.247 -0.842 1.155 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.790 -0.317 2.032 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.705 -1.735 2.596 1.00 0.77 H new ATOM 300 N SER A 226 -11.061 2.129 5.621 1.00 0.26 N ATOM 301 CA SER A 226 -12.262 2.788 6.072 1.00 0.33 C ATOM 302 C SER A 226 -13.052 3.166 4.827 1.00 0.32 C ATOM 303 O SER A 226 -12.554 3.925 3.997 1.00 0.32 O ATOM 304 CB SER A 226 -11.926 4.013 6.913 1.00 0.42 C ATOM 305 OG SER A 226 -11.211 3.644 8.079 1.00 1.20 O ATOM 0 H SER A 226 -10.218 2.703 5.594 1.00 0.26 H new ATOM 0 HA SER A 226 -12.852 2.131 6.711 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.333 4.712 6.324 1.00 0.42 H new ATOM 0 HB3 SER A 226 -12.844 4.530 7.193 1.00 0.42 H new ATOM 0 HG SER A 226 -11.004 4.446 8.603 1.00 1.20 H new ATOM 311 N LYS A 227 -14.097 2.391 4.554 1.00 0.34 N ATOM 312 CA LYS A 227 -14.792 2.449 3.272 1.00 0.37 C ATOM 313 C LYS A 227 -15.075 3.871 2.827 1.00 0.42 C ATOM 314 O LYS A 227 -15.750 4.644 3.513 1.00 0.48 O ATOM 315 CB LYS A 227 -16.095 1.635 3.312 1.00 0.44 C ATOM 316 CG LYS A 227 -17.256 2.267 2.541 1.00 0.95 C ATOM 317 CD LYS A 227 -18.577 1.547 2.771 1.00 0.93 C ATOM 318 CE LYS A 227 -19.160 1.857 4.139 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.543 1.329 4.291 1.00 1.54 N ATOM 0 H LYS A 227 -14.483 1.711 5.208 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.120 2.006 2.537 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.902 0.642 2.906 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.394 1.501 4.351 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.359 3.310 2.839 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.025 2.261 1.476 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.289 1.838 1.999 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.426 0.472 2.676 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.521 1.427 4.911 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.165 2.936 4.294 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.146 2.055 4.728 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.924 1.079 3.356 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.527 0.483 4.896 1.00 1.54 H new ATOM 333 N GLY A 228 -14.547 4.193 1.660 1.00 0.46 N ATOM 334 CA GLY A 228 -14.761 5.502 1.068 1.00 0.57 C ATOM 335 C GLY A 228 -14.004 6.600 1.783 1.00 0.57 C ATOM 336 O GLY A 228 -14.027 7.757 1.361 1.00 0.70 O ATOM 0 H GLY A 228 -13.967 3.566 1.103 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.454 5.477 0.022 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.826 5.733 1.083 1.00 0.57 H new ATOM 340 N HIS A 229 -13.249 6.220 2.800 1.00 0.47 N ATOM 341 CA HIS A 229 -12.412 7.163 3.527 1.00 0.53 C ATOM 342 C HIS A 229 -11.004 7.113 2.961 1.00 0.54 C ATOM 343 O HIS A 229 -10.099 7.787 3.449 1.00 1.02 O ATOM 344 CB HIS A 229 -12.397 6.829 5.026 1.00 0.55 C ATOM 345 CG HIS A 229 -11.824 7.912 5.901 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.524 7.726 7.235 1.00 1.94 N ATOM 347 CD2 HIS A 229 -11.498 9.200 5.627 1.00 2.31 C ATOM 348 CE1 HIS A 229 -11.039 8.847 7.736 1.00 2.66 C ATOM 349 NE2 HIS A 229 -11.010 9.754 6.783 1.00 2.89 N ATOM 0 H HIS A 229 -13.198 5.261 3.143 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.817 8.168 3.411 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.417 6.620 5.349 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.822 5.916 5.176 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -11.603 9.698 4.674 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -10.720 8.995 8.757 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -10.679 10.713 6.887 1.00 2.89 H new ATOM 358 N LYS A 230 -10.839 6.275 1.937 1.00 0.30 N ATOM 359 CA LYS A 230 -9.549 6.057 1.284 1.00 0.28 C ATOM 360 C LYS A 230 -8.585 5.349 2.230 1.00 0.24 C ATOM 361 O LYS A 230 -8.178 5.913 3.249 1.00 0.28 O ATOM 362 CB LYS A 230 -8.913 7.379 0.806 1.00 0.36 C ATOM 363 CG LYS A 230 -9.764 8.192 -0.166 1.00 1.00 C ATOM 364 CD LYS A 230 -10.620 9.226 0.552 1.00 1.23 C ATOM 365 CE LYS A 230 -11.310 10.163 -0.425 1.00 1.65 C ATOM 366 NZ LYS A 230 -10.338 11.008 -1.170 1.00 2.24 N ATOM 0 H LYS A 230 -11.600 5.726 1.536 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.736 5.432 0.411 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.696 7.996 1.678 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -7.959 7.154 0.329 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.115 8.694 -0.884 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.407 7.520 -0.734 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -11.369 8.719 1.160 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.996 9.805 1.232 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -11.899 9.579 -1.132 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -12.006 10.803 0.117 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -10.836 11.814 -1.600 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.611 11.360 -0.515 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -9.887 10.442 -1.917 1.00 2.24 H new ATOM 380 N ILE A 231 -8.215 4.113 1.920 1.00 0.20 N ATOM 381 CA ILE A 231 -7.292 3.403 2.800 1.00 0.17 C ATOM 382 C ILE A 231 -5.838 3.708 2.440 1.00 0.16 C ATOM 383 O ILE A 231 -5.452 3.720 1.273 1.00 0.17 O ATOM 384 CB ILE A 231 -7.509 1.873 2.813 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.518 1.226 3.788 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.328 1.290 1.426 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.608 -0.277 3.870 1.00 0.19 C ATOM 0 H ILE A 231 -8.525 3.595 1.098 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.508 3.771 3.803 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.529 1.667 3.137 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.506 1.501 3.492 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.683 1.641 4.782 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.486 0.212 1.461 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.050 1.740 0.745 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.318 1.498 1.073 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.871 -0.647 4.583 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.607 -0.564 4.198 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.411 -0.707 2.888 1.00 0.19 H new ATOM 399 N ARG A 232 -5.051 3.998 3.462 1.00 0.17 N ATOM 400 CA ARG A 232 -3.645 4.335 3.296 1.00 0.17 C ATOM 401 C ARG A 232 -2.772 3.111 3.556 1.00 0.15 C ATOM 402 O ARG A 232 -2.955 2.431 4.564 1.00 0.19 O ATOM 403 CB ARG A 232 -3.275 5.451 4.276 1.00 0.22 C ATOM 404 CG ARG A 232 -4.095 6.724 4.117 1.00 0.34 C ATOM 405 CD ARG A 232 -3.725 7.748 5.180 1.00 0.77 C ATOM 406 NE ARG A 232 -4.460 9.011 5.035 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.256 9.893 4.052 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.294 9.697 3.165 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.001 10.989 3.975 1.00 3.14 N ATOM 0 H ARG A 232 -5.368 4.007 4.432 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.477 4.672 2.273 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.396 5.080 5.294 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.220 5.694 4.149 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.928 7.147 3.126 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.157 6.488 4.188 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.924 7.329 6.166 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -2.655 7.948 5.128 1.00 0.77 H new ATOM 0 HE ARG A 232 -5.173 9.230 5.731 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -2.702 8.869 3.229 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.144 10.374 2.417 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -5.731 11.159 4.667 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -4.844 11.661 3.224 1.00 3.14 H new ATOM 423 N LEU A 233 -1.787 2.852 2.693 1.00 0.13 N ATOM 424 CA LEU A 233 -0.892 1.747 2.913 1.00 0.14 C ATOM 425 C LEU A 233 0.376 2.280 3.541 1.00 0.13 C ATOM 426 O LEU A 233 1.219 2.846 2.850 1.00 0.13 O ATOM 427 CB LEU A 233 -0.601 1.017 1.592 1.00 0.15 C ATOM 428 CG LEU A 233 -1.721 0.085 1.086 1.00 0.17 C ATOM 429 CD1 LEU A 233 -2.977 0.863 0.724 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.250 -0.721 -0.111 1.00 0.23 C ATOM 0 H LEU A 233 -1.601 3.394 1.849 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.349 1.020 3.585 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.398 1.762 0.823 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.309 0.429 1.715 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.967 -0.597 1.900 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.744 0.173 0.372 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.343 1.393 1.603 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.746 1.581 -0.063 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.056 -1.371 -0.451 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -0.965 -0.044 -0.916 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.390 -1.327 0.174 1.00 0.23 H new ATOM 442 N THR A 234 0.407 2.269 4.864 1.00 0.14 N ATOM 443 CA THR A 234 1.490 2.892 5.607 1.00 0.16 C ATOM 444 C THR A 234 2.598 1.895 5.896 1.00 0.16 C ATOM 445 O THR A 234 2.345 0.774 6.333 1.00 0.22 O ATOM 446 CB THR A 234 0.985 3.499 6.930 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.155 4.335 6.679 1.00 0.33 O ATOM 448 CG2 THR A 234 2.080 4.316 7.604 1.00 0.24 C ATOM 0 H THR A 234 -0.308 1.834 5.447 1.00 0.14 H new ATOM 0 HA THR A 234 1.887 3.693 4.984 1.00 0.16 H new ATOM 0 HB THR A 234 0.701 2.684 7.595 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.473 4.717 7.524 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.700 4.735 8.536 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.935 3.674 7.816 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.390 5.125 6.943 1.00 0.24 H new ATOM 456 N VAL A 235 3.816 2.291 5.589 1.00 0.14 N ATOM 457 CA VAL A 235 4.971 1.428 5.731 1.00 0.14 C ATOM 458 C VAL A 235 6.154 2.230 6.239 1.00 0.14 C ATOM 459 O VAL A 235 6.356 3.362 5.820 1.00 0.16 O ATOM 460 CB VAL A 235 5.346 0.792 4.377 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.226 -0.086 3.875 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.627 1.877 3.358 1.00 0.14 C ATOM 0 H VAL A 235 4.034 3.222 5.233 1.00 0.14 H new ATOM 0 HA VAL A 235 4.721 0.640 6.441 1.00 0.14 H new ATOM 0 HB VAL A 235 6.238 0.182 4.519 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.509 -0.526 2.919 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.034 -0.880 4.597 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.324 0.513 3.746 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.891 1.421 2.404 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.739 2.495 3.231 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.454 2.497 3.705 1.00 0.14 H new ATOM 472 N GLU A 236 7.016 1.610 7.011 1.00 0.13 N ATOM 473 CA GLU A 236 8.260 2.250 7.353 1.00 0.13 C ATOM 474 C GLU A 236 9.284 1.795 6.336 1.00 0.13 C ATOM 475 O GLU A 236 9.418 0.604 6.104 1.00 0.17 O ATOM 476 CB GLU A 236 8.696 1.880 8.771 1.00 0.18 C ATOM 477 CG GLU A 236 9.693 2.862 9.362 1.00 0.29 C ATOM 478 CD GLU A 236 9.906 2.663 10.847 1.00 0.54 C ATOM 479 OE1 GLU A 236 8.913 2.475 11.578 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.076 2.638 11.280 1.00 1.18 O ATOM 0 H GLU A 236 6.881 0.680 7.407 1.00 0.13 H new ATOM 0 HA GLU A 236 8.152 3.334 7.333 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.817 1.832 9.414 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.138 0.884 8.761 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.647 2.758 8.846 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.343 3.879 9.183 1.00 0.29 H new ATOM 487 N LEU A 237 9.812 2.725 5.564 1.00 0.13 N ATOM 488 CA LEU A 237 10.669 2.368 4.444 1.00 0.15 C ATOM 489 C LEU A 237 12.105 2.153 4.877 1.00 0.17 C ATOM 490 O LEU A 237 12.576 2.783 5.814 1.00 0.19 O ATOM 491 CB LEU A 237 10.635 3.448 3.366 1.00 0.17 C ATOM 492 CG LEU A 237 9.661 3.205 2.219 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.689 4.379 1.259 1.00 0.44 C ATOM 494 CD2 LEU A 237 10.014 1.918 1.490 1.00 0.55 C ATOM 0 H LEU A 237 9.666 3.727 5.688 1.00 0.13 H new ATOM 0 HA LEU A 237 10.281 1.432 4.041 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.383 4.398 3.837 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.637 3.553 2.951 1.00 0.17 H new ATOM 0 HG LEU A 237 8.655 3.106 2.626 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.990 4.198 0.442 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.402 5.288 1.787 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.695 4.496 0.857 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.310 1.757 0.674 1.00 0.55 H new ATOM 0 HD22 LEU A 237 11.025 1.993 1.088 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.961 1.080 2.185 1.00 0.55 H new ATOM 506 N ALA A 238 12.823 1.364 4.092 1.00 0.19 N ATOM 507 CA ALA A 238 14.261 1.238 4.236 1.00 0.21 C ATOM 508 C ALA A 238 14.925 2.257 3.319 1.00 0.23 C ATOM 509 O ALA A 238 15.948 2.853 3.653 1.00 0.28 O ATOM 510 CB ALA A 238 14.715 -0.172 3.897 1.00 0.25 C ATOM 0 H ALA A 238 12.426 0.797 3.342 1.00 0.19 H new ATOM 0 HA ALA A 238 14.548 1.430 5.270 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.797 -0.243 4.012 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.231 -0.881 4.568 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.443 -0.404 2.867 1.00 0.25 H new ATOM 516 N ASP A 239 14.261 2.507 2.196 1.00 0.22 N ATOM 517 CA ASP A 239 14.697 3.515 1.227 1.00 0.25 C ATOM 518 C ASP A 239 14.464 4.914 1.754 1.00 0.25 C ATOM 519 O ASP A 239 15.298 5.800 1.592 1.00 0.34 O ATOM 520 CB ASP A 239 13.938 3.372 -0.086 1.00 0.31 C ATOM 521 CG ASP A 239 14.536 2.319 -0.996 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.606 1.141 -0.581 1.00 1.19 O ATOM 523 OD2 ASP A 239 14.924 2.655 -2.126 1.00 1.28 O ATOM 0 H ASP A 239 13.406 2.019 1.929 1.00 0.22 H new ATOM 0 HA ASP A 239 15.762 3.355 1.061 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.900 3.116 0.125 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.931 4.332 -0.603 1.00 0.31 H new ATOM 528 N HIS A 240 13.273 5.106 2.314 1.00 0.27 N ATOM 529 CA HIS A 240 12.823 6.392 2.852 1.00 0.39 C ATOM 530 C HIS A 240 12.402 7.346 1.737 1.00 0.47 C ATOM 531 O HIS A 240 11.271 7.831 1.724 1.00 0.70 O ATOM 532 CB HIS A 240 13.899 7.071 3.722 1.00 0.46 C ATOM 533 CG HIS A 240 14.419 6.233 4.855 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.231 4.926 5.158 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.260 6.727 5.827 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.955 4.660 6.294 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.566 5.764 6.674 1.00 0.48 N flip ATOM 0 H HIS A 240 12.581 4.363 2.410 1.00 0.27 H new ATOM 0 HA HIS A 240 11.961 6.171 3.482 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.737 7.353 3.084 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.486 7.993 4.131 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.657 4.262 4.638 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.614 7.746 5.886 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.014 3.704 6.793 1.00 0.57 H new ATOM 546 N ASP A 241 13.336 7.677 0.852 1.00 0.41 N ATOM 547 CA ASP A 241 13.091 8.697 -0.167 1.00 0.51 C ATOM 548 C ASP A 241 12.476 8.141 -1.420 1.00 0.44 C ATOM 549 O ASP A 241 11.835 8.862 -2.183 1.00 0.78 O ATOM 550 CB ASP A 241 14.377 9.444 -0.515 1.00 0.80 C ATOM 551 CG ASP A 241 14.954 10.184 0.667 1.00 1.53 C ATOM 552 OD1 ASP A 241 14.275 11.087 1.193 1.00 2.22 O ATOM 553 OD2 ASP A 241 16.092 9.870 1.075 1.00 2.08 O ATOM 0 H ASP A 241 14.265 7.258 0.817 1.00 0.41 H new ATOM 0 HA ASP A 241 12.372 9.390 0.270 1.00 0.51 H new ATOM 0 HB2 ASP A 241 15.115 8.735 -0.891 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.176 10.151 -1.319 1.00 0.80 H new ATOM 558 N ALA A 242 12.734 6.893 -1.661 1.00 0.33 N ATOM 559 CA ALA A 242 12.274 6.237 -2.855 1.00 0.30 C ATOM 560 C ALA A 242 10.761 6.230 -2.959 1.00 0.24 C ATOM 561 O ALA A 242 10.063 5.914 -1.991 1.00 0.28 O ATOM 562 CB ALA A 242 12.787 4.840 -2.820 1.00 0.38 C ATOM 0 H ALA A 242 13.272 6.294 -1.035 1.00 0.33 H new ATOM 0 HA ALA A 242 12.644 6.777 -3.727 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.457 4.309 -3.713 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.876 4.853 -2.787 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.403 4.334 -1.934 1.00 0.38 H new ATOM 568 N GLU A 243 10.265 6.458 -4.164 1.00 0.26 N ATOM 569 CA GLU A 243 8.847 6.321 -4.427 1.00 0.30 C ATOM 570 C GLU A 243 8.489 4.853 -4.378 1.00 0.25 C ATOM 571 O GLU A 243 9.117 4.034 -5.052 1.00 0.25 O ATOM 572 CB GLU A 243 8.479 6.877 -5.801 1.00 0.39 C ATOM 573 CG GLU A 243 9.132 8.210 -6.112 1.00 0.67 C ATOM 574 CD GLU A 243 8.668 8.800 -7.423 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.834 8.146 -8.472 1.00 1.64 O ATOM 576 OE2 GLU A 243 8.149 9.933 -7.415 1.00 1.56 O ATOM 0 H GLU A 243 10.823 6.738 -4.971 1.00 0.26 H new ATOM 0 HA GLU A 243 8.296 6.884 -3.673 1.00 0.30 H new ATOM 0 HB2 GLU A 243 8.766 6.154 -6.565 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.396 6.990 -5.860 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.915 8.912 -5.307 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.214 8.081 -6.140 1.00 0.67 H new ATOM 583 N VAL A 244 7.494 4.513 -3.591 1.00 0.24 N ATOM 584 CA VAL A 244 7.067 3.138 -3.512 1.00 0.21 C ATOM 585 C VAL A 244 5.925 2.889 -4.476 1.00 0.20 C ATOM 586 O VAL A 244 4.891 3.555 -4.428 1.00 0.23 O ATOM 587 CB VAL A 244 6.655 2.726 -2.080 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.863 2.749 -1.162 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.557 3.629 -1.537 1.00 0.27 C ATOM 0 H VAL A 244 6.971 5.162 -3.003 1.00 0.24 H new ATOM 0 HA VAL A 244 7.922 2.521 -3.790 1.00 0.21 H new ATOM 0 HB VAL A 244 6.259 1.711 -2.121 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.561 2.457 -0.156 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.615 2.052 -1.532 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.282 3.755 -1.138 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.291 3.312 -0.529 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.912 4.659 -1.512 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.680 3.564 -2.181 1.00 0.27 H new ATOM 599 N LYS A 245 6.091 1.869 -5.284 1.00 0.18 N ATOM 600 CA LYS A 245 5.022 1.397 -6.122 1.00 0.19 C ATOM 601 C LYS A 245 4.262 0.347 -5.334 1.00 0.15 C ATOM 602 O LYS A 245 4.771 -0.182 -4.352 1.00 0.16 O ATOM 603 CB LYS A 245 5.577 0.825 -7.425 1.00 0.30 C ATOM 604 CG LYS A 245 6.114 1.877 -8.381 1.00 0.89 C ATOM 605 CD LYS A 245 6.735 1.244 -9.620 1.00 1.51 C ATOM 606 CE LYS A 245 5.731 0.392 -10.383 1.00 2.00 C ATOM 607 NZ LYS A 245 6.320 -0.204 -11.612 1.00 2.79 N ATOM 0 H LYS A 245 6.964 1.349 -5.377 1.00 0.18 H new ATOM 0 HA LYS A 245 4.353 2.212 -6.397 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.375 0.121 -7.190 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.791 0.260 -7.926 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.306 2.545 -8.679 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.860 2.487 -7.871 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.119 2.027 -10.274 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.585 0.628 -9.326 1.00 1.51 H new ATOM 0 HE2 LYS A 245 5.365 -0.404 -9.734 1.00 2.00 H new ATOM 0 HE3 LYS A 245 4.870 1.003 -10.654 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 5.942 0.283 -12.450 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 7.354 -0.099 -11.587 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.076 -1.214 -11.659 1.00 2.79 H new ATOM 621 N TRP A 246 3.018 0.137 -5.642 1.00 0.14 N ATOM 622 CA TRP A 246 2.233 -0.791 -4.862 1.00 0.13 C ATOM 623 C TRP A 246 1.574 -1.773 -5.791 1.00 0.14 C ATOM 624 O TRP A 246 1.816 -1.738 -6.988 1.00 0.14 O ATOM 625 CB TRP A 246 1.232 -0.068 -3.947 1.00 0.14 C ATOM 626 CG TRP A 246 1.914 0.869 -2.989 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.459 2.083 -3.292 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.174 0.660 -1.589 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.026 2.636 -2.177 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.876 1.784 -1.126 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.886 -0.355 -0.680 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.299 1.919 0.192 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.310 -0.208 0.633 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.008 0.916 1.048 1.00 0.15 C ATOM 0 H TRP A 246 2.524 0.584 -6.414 1.00 0.14 H new ATOM 0 HA TRP A 246 2.888 -1.343 -4.187 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.523 0.491 -4.557 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.658 -0.805 -3.385 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.445 2.541 -4.270 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.489 3.544 -2.139 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.345 -1.237 -0.990 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.841 2.794 0.519 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.091 -0.987 1.348 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.326 0.991 2.078 1.00 0.15 H new ATOM 645 N LEU A 247 1.013 -2.807 -5.250 1.00 0.15 N ATOM 646 CA LEU A 247 0.509 -3.885 -6.065 1.00 0.14 C ATOM 647 C LEU A 247 -0.897 -4.237 -5.597 1.00 0.15 C ATOM 648 O LEU A 247 -1.095 -4.495 -4.430 1.00 0.16 O ATOM 649 CB LEU A 247 1.450 -5.090 -5.911 1.00 0.15 C ATOM 650 CG LEU A 247 2.262 -5.540 -7.131 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.443 -6.456 -8.009 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.773 -4.362 -7.936 1.00 0.17 C ATOM 0 H LEU A 247 0.888 -2.935 -4.246 1.00 0.15 H new ATOM 0 HA LEU A 247 0.467 -3.596 -7.115 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.153 -4.862 -5.110 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.852 -5.938 -5.579 1.00 0.15 H new ATOM 0 HG LEU A 247 3.128 -6.087 -6.758 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.038 -6.764 -8.869 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.146 -7.337 -7.439 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.553 -5.930 -8.353 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.343 -4.725 -8.791 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.929 -3.769 -8.288 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.415 -3.744 -7.309 1.00 0.17 H new ATOM 664 N LYS A 248 -1.832 -4.409 -6.502 1.00 0.19 N ATOM 665 CA LYS A 248 -3.100 -5.008 -6.115 1.00 0.25 C ATOM 666 C LYS A 248 -3.040 -6.457 -6.505 1.00 0.25 C ATOM 667 O LYS A 248 -2.185 -6.809 -7.311 1.00 0.21 O ATOM 668 CB LYS A 248 -4.318 -4.309 -6.736 1.00 0.34 C ATOM 669 CG LYS A 248 -4.196 -3.988 -8.214 1.00 0.77 C ATOM 670 CD LYS A 248 -5.383 -3.162 -8.685 1.00 0.95 C ATOM 671 CE LYS A 248 -5.208 -2.679 -10.112 1.00 1.57 C ATOM 672 NZ LYS A 248 -6.348 -1.833 -10.551 1.00 2.06 N ATOM 0 H LYS A 248 -1.750 -4.153 -7.486 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.237 -4.895 -5.040 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -5.193 -4.942 -6.589 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -4.500 -3.382 -6.193 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -3.271 -3.442 -8.397 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -4.139 -4.913 -8.788 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.292 -3.759 -8.613 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -5.513 -2.304 -8.025 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -4.281 -2.111 -10.193 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -5.115 -3.537 -10.778 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -6.176 -1.494 -11.519 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.224 -2.393 -10.530 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -6.443 -1.019 -9.911 1.00 2.06 H new ATOM 686 N ASN A 249 -3.707 -7.305 -5.735 1.00 0.34 N ATOM 687 CA ASN A 249 -3.533 -8.748 -5.854 1.00 0.40 C ATOM 688 C ASN A 249 -3.395 -9.163 -7.315 1.00 0.35 C ATOM 689 O ASN A 249 -4.369 -9.175 -8.061 1.00 0.35 O ATOM 690 CB ASN A 249 -4.727 -9.461 -5.229 1.00 0.61 C ATOM 691 CG ASN A 249 -4.385 -10.849 -4.734 1.00 0.75 C ATOM 692 OD1 ASN A 249 -4.612 -11.072 -3.452 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -3.916 -11.704 -5.485 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.375 -7.019 -5.019 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.620 -9.029 -5.329 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -5.106 -8.866 -4.398 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -5.529 -9.529 -5.964 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -3.757 -11.487 -6.469 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -3.686 -12.630 -5.123 1.00 1.19 H new ATOM 700 N GLY A 250 -2.156 -9.429 -7.716 1.00 0.35 N ATOM 701 CA GLY A 250 -1.858 -9.764 -9.091 1.00 0.35 C ATOM 702 C GLY A 250 -1.491 -8.566 -9.960 1.00 0.33 C ATOM 703 O GLY A 250 -0.511 -8.632 -10.704 1.00 0.39 O ATOM 0 H GLY A 250 -1.343 -9.417 -7.100 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -1.034 -10.478 -9.109 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.723 -10.264 -9.527 1.00 0.35 H new ATOM 707 N GLN A 251 -2.275 -7.488 -9.921 1.00 0.30 N ATOM 708 CA GLN A 251 -2.000 -6.342 -10.792 1.00 0.36 C ATOM 709 C GLN A 251 -1.100 -5.321 -10.155 1.00 0.25 C ATOM 710 O GLN A 251 -1.200 -5.004 -8.971 1.00 0.28 O ATOM 711 CB GLN A 251 -3.260 -5.636 -11.265 1.00 0.52 C ATOM 712 CG GLN A 251 -4.076 -6.443 -12.258 1.00 1.28 C ATOM 713 CD GLN A 251 -5.229 -5.665 -12.864 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.140 -4.344 -12.857 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -6.174 -6.251 -13.393 1.00 2.59 N flip ATOM 0 H GLN A 251 -3.087 -7.383 -9.312 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.493 -6.782 -11.651 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.882 -5.404 -10.401 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -2.983 -4.686 -11.723 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -3.422 -6.790 -13.058 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.468 -7.330 -11.759 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -6.213 -7.270 -13.381 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.918 -5.717 -13.843 1.00 2.59 H new ATOM 724 N GLU A 252 -0.257 -4.763 -10.984 1.00 0.26 N ATOM 725 CA GLU A 252 0.671 -3.759 -10.556 1.00 0.25 C ATOM 726 C GLU A 252 -0.017 -2.420 -10.274 1.00 0.27 C ATOM 727 O GLU A 252 -0.885 -1.977 -11.029 1.00 0.32 O ATOM 728 CB GLU A 252 1.744 -3.577 -11.603 1.00 0.32 C ATOM 729 CG GLU A 252 2.854 -2.742 -11.066 1.00 0.60 C ATOM 730 CD GLU A 252 3.799 -2.234 -12.136 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.333 -1.559 -13.080 1.00 1.49 O ATOM 732 OE2 GLU A 252 5.013 -2.485 -12.029 1.00 1.60 O ATOM 0 H GLU A 252 -0.197 -4.995 -11.976 1.00 0.26 H new ATOM 0 HA GLU A 252 1.118 -4.099 -9.622 1.00 0.25 H new ATOM 0 HB2 GLU A 252 2.128 -4.549 -11.913 1.00 0.32 H new ATOM 0 HB3 GLU A 252 1.320 -3.105 -12.489 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.432 -1.891 -10.531 1.00 0.60 H new ATOM 0 HG3 GLU A 252 3.420 -3.326 -10.340 1.00 0.60 H new ATOM 739 N ILE A 253 0.371 -1.795 -9.171 1.00 0.23 N ATOM 740 CA ILE A 253 -0.180 -0.513 -8.762 1.00 0.27 C ATOM 741 C ILE A 253 0.887 0.597 -8.796 1.00 0.28 C ATOM 742 O ILE A 253 1.899 0.547 -8.086 1.00 0.28 O ATOM 743 CB ILE A 253 -0.807 -0.647 -7.354 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.250 -1.123 -7.440 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.718 0.629 -6.545 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.883 -1.312 -6.079 1.00 0.33 C ATOM 0 H ILE A 253 1.078 -2.164 -8.535 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.957 -0.224 -9.470 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.218 -1.398 -6.828 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.833 -0.401 -8.011 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.286 -2.065 -7.987 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.174 0.473 -5.568 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.328 0.906 -6.417 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.244 1.428 -7.067 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.911 -1.652 -6.200 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.319 -2.055 -5.515 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.875 -0.365 -5.539 1.00 0.33 H new ATOM 758 N GLN A 254 0.649 1.613 -9.606 1.00 0.36 N ATOM 759 CA GLN A 254 1.560 2.744 -9.682 1.00 0.43 C ATOM 760 C GLN A 254 1.118 3.847 -8.725 1.00 0.61 C ATOM 761 O GLN A 254 0.861 3.589 -7.551 1.00 1.42 O ATOM 762 CB GLN A 254 1.649 3.279 -11.113 1.00 0.70 C ATOM 763 CG GLN A 254 2.187 2.266 -12.107 1.00 1.00 C ATOM 764 CD GLN A 254 2.548 2.901 -13.432 1.00 1.75 C ATOM 765 OE1 GLN A 254 3.465 3.718 -13.512 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.819 2.546 -14.474 1.00 2.21 N ATOM 0 H GLN A 254 -0.164 1.680 -10.219 1.00 0.36 H new ATOM 0 HA GLN A 254 2.552 2.403 -9.386 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.658 3.600 -11.434 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.289 4.161 -11.123 1.00 0.70 H new ATOM 0 HG2 GLN A 254 3.068 1.780 -11.687 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.441 1.488 -12.270 1.00 1.00 H new ATOM 0 HE21 GLN A 254 1.068 1.865 -14.363 1.00 2.21 H new ATOM 0 HE22 GLN A 254 2.007 2.953 -15.390 1.00 2.21 H new ATOM 775 N MET A 255 0.989 5.062 -9.236 1.00 0.59 N ATOM 776 CA MET A 255 0.541 6.182 -8.425 1.00 0.61 C ATOM 777 C MET A 255 -0.305 7.135 -9.259 1.00 0.65 C ATOM 778 O MET A 255 -0.092 7.273 -10.468 1.00 0.95 O ATOM 779 CB MET A 255 1.738 6.912 -7.788 1.00 0.95 C ATOM 780 CG MET A 255 2.711 7.533 -8.784 1.00 1.58 C ATOM 781 SD MET A 255 2.163 9.137 -9.402 1.00 2.30 S ATOM 782 CE MET A 255 3.548 9.591 -10.443 1.00 2.61 C ATOM 0 H MET A 255 1.188 5.297 -10.208 1.00 0.59 H new ATOM 0 HA MET A 255 -0.079 5.797 -7.616 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.360 7.697 -7.133 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.283 6.207 -7.160 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.685 7.647 -8.308 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.845 6.853 -9.625 1.00 1.58 H new ATOM 0 HE1 MET A 255 3.358 10.563 -10.898 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.455 9.643 -9.840 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.675 8.843 -11.226 1.00 2.61 H new ATOM 792 N SER A 256 -1.342 7.681 -8.642 1.00 0.57 N ATOM 793 CA SER A 256 -2.301 8.535 -9.329 1.00 0.69 C ATOM 794 C SER A 256 -3.027 9.428 -8.328 1.00 1.00 C ATOM 795 O SER A 256 -2.995 9.176 -7.122 1.00 1.47 O ATOM 796 CB SER A 256 -3.319 7.687 -10.092 1.00 0.76 C ATOM 797 OG SER A 256 -2.682 6.841 -11.037 1.00 1.64 O ATOM 0 H SER A 256 -1.543 7.545 -7.651 1.00 0.57 H new ATOM 0 HA SER A 256 -1.757 9.160 -10.037 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.892 7.083 -9.389 1.00 0.76 H new ATOM 0 HB3 SER A 256 -4.027 8.339 -10.604 1.00 0.76 H new ATOM 0 HG SER A 256 -1.737 7.090 -11.114 1.00 1.64 H new ATOM 803 N GLY A 257 -3.625 10.502 -8.828 1.00 1.01 N ATOM 804 CA GLY A 257 -4.320 11.445 -7.971 1.00 1.41 C ATOM 805 C GLY A 257 -5.566 10.855 -7.336 1.00 1.28 C ATOM 806 O GLY A 257 -5.911 11.196 -6.203 1.00 1.69 O ATOM 0 H GLY A 257 -3.641 10.739 -9.820 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.643 11.783 -7.186 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.596 12.324 -8.554 1.00 1.41 H new ATOM 810 N SER A 258 -6.269 10.014 -8.082 1.00 1.07 N ATOM 811 CA SER A 258 -7.495 9.402 -7.588 1.00 0.96 C ATOM 812 C SER A 258 -7.190 8.151 -6.760 1.00 0.74 C ATOM 813 O SER A 258 -7.230 8.176 -5.530 1.00 1.14 O ATOM 814 CB SER A 258 -8.411 9.059 -8.767 1.00 1.08 C ATOM 815 OG SER A 258 -7.712 8.325 -9.763 1.00 1.77 O ATOM 0 H SER A 258 -6.012 9.740 -9.030 1.00 1.07 H new ATOM 0 HA SER A 258 -8.003 10.114 -6.937 1.00 0.96 H new ATOM 0 HB2 SER A 258 -9.262 8.477 -8.413 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.810 9.976 -9.200 1.00 1.08 H new ATOM 0 HG SER A 258 -8.320 8.117 -10.503 1.00 1.77 H new ATOM 821 N LYS A 259 -6.814 7.080 -7.442 1.00 0.51 N ATOM 822 CA LYS A 259 -6.431 5.836 -6.787 1.00 0.37 C ATOM 823 C LYS A 259 -4.914 5.761 -6.688 1.00 0.33 C ATOM 824 O LYS A 259 -4.225 6.350 -7.517 1.00 0.45 O ATOM 825 CB LYS A 259 -6.969 4.625 -7.568 1.00 0.48 C ATOM 826 CG LYS A 259 -8.467 4.380 -7.407 1.00 1.11 C ATOM 827 CD LYS A 259 -9.321 5.432 -8.108 1.00 1.59 C ATOM 828 CE LYS A 259 -9.637 5.058 -9.555 1.00 2.02 C ATOM 829 NZ LYS A 259 -8.449 5.140 -10.448 1.00 2.41 N ATOM 0 H LYS A 259 -6.765 7.047 -8.460 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.862 5.817 -5.786 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.749 4.765 -8.626 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.432 3.733 -7.245 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.714 3.396 -7.805 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.715 4.366 -6.346 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -10.253 5.564 -7.558 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.801 6.390 -8.089 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.037 4.045 -9.584 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.416 5.719 -9.934 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -8.762 5.281 -11.430 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -7.850 5.939 -10.157 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -7.904 4.257 -10.382 1.00 2.41 H new ATOM 843 N TYR A 260 -4.396 4.974 -5.733 1.00 0.24 N ATOM 844 CA TYR A 260 -2.952 4.774 -5.599 1.00 0.27 C ATOM 845 C TYR A 260 -2.236 6.114 -5.398 1.00 0.27 C ATOM 846 O TYR A 260 -1.342 6.480 -6.156 1.00 0.29 O ATOM 847 CB TYR A 260 -2.397 4.036 -6.832 1.00 0.33 C ATOM 848 CG TYR A 260 -3.382 3.058 -7.439 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.923 2.033 -6.679 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.739 3.138 -8.780 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.796 1.116 -7.234 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.606 2.219 -9.343 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.251 1.317 -8.542 1.00 0.95 C ATOM 854 OH TYR A 260 -5.986 0.290 -9.130 1.00 1.24 O ATOM 0 H TYR A 260 -4.956 4.469 -5.046 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.768 4.158 -4.718 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.111 4.768 -7.587 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.491 3.500 -6.549 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.658 1.949 -5.635 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.333 3.930 -9.392 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.122 0.257 -6.666 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.773 2.214 -10.410 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.812 0.655 -9.511 1.00 1.24 H new ATOM 864 N ILE A 261 -2.658 6.848 -4.379 1.00 0.26 N ATOM 865 CA ILE A 261 -2.084 8.149 -4.069 1.00 0.27 C ATOM 866 C ILE A 261 -0.815 7.983 -3.240 1.00 0.28 C ATOM 867 O ILE A 261 -0.819 7.296 -2.223 1.00 0.35 O ATOM 868 CB ILE A 261 -3.086 9.011 -3.274 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.370 9.233 -4.074 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.466 10.339 -2.880 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.452 9.941 -3.288 1.00 0.39 C ATOM 0 H ILE A 261 -3.405 6.560 -3.746 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.848 8.643 -5.011 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.342 8.471 -2.362 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.138 9.816 -4.965 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.749 8.269 -4.413 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.193 10.928 -2.321 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.588 10.161 -2.259 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.171 10.883 -3.777 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.335 10.066 -3.915 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.711 9.348 -2.411 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.091 10.919 -2.971 1.00 0.39 H new ATOM 883 N PHE A 262 0.260 8.626 -3.656 1.00 0.30 N ATOM 884 CA PHE A 262 1.506 8.548 -2.913 1.00 0.32 C ATOM 885 C PHE A 262 1.499 9.521 -1.731 1.00 0.30 C ATOM 886 O PHE A 262 1.085 10.674 -1.860 1.00 0.37 O ATOM 887 CB PHE A 262 2.713 8.785 -3.839 1.00 0.46 C ATOM 888 CG PHE A 262 2.718 10.103 -4.569 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.186 11.256 -3.958 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.262 10.184 -5.876 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.198 12.461 -4.632 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.271 11.389 -6.555 1.00 1.09 C ATOM 893 CZ PHE A 262 2.739 12.528 -5.932 1.00 1.18 C ATOM 0 H PHE A 262 0.297 9.203 -4.496 1.00 0.30 H new ATOM 0 HA PHE A 262 1.599 7.541 -2.506 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.624 8.714 -3.245 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.749 7.981 -4.575 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.546 11.211 -2.941 1.00 0.87 H new ATOM 0 HD2 PHE A 262 1.896 9.296 -6.369 1.00 0.84 H new ATOM 0 HE1 PHE A 262 3.566 13.350 -4.142 1.00 1.13 H new ATOM 0 HE2 PHE A 262 1.912 11.438 -7.572 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.746 13.470 -6.461 1.00 1.18 H new ATOM 903 N GLU A 263 1.898 9.020 -0.570 1.00 0.26 N ATOM 904 CA GLU A 263 1.918 9.809 0.654 1.00 0.30 C ATOM 905 C GLU A 263 3.135 9.411 1.485 1.00 0.28 C ATOM 906 O GLU A 263 3.579 8.265 1.424 1.00 0.33 O ATOM 907 CB GLU A 263 0.624 9.582 1.443 1.00 0.37 C ATOM 908 CG GLU A 263 0.530 10.395 2.723 1.00 0.56 C ATOM 909 CD GLU A 263 0.539 11.886 2.467 1.00 1.07 C ATOM 910 OE1 GLU A 263 -0.417 12.389 1.842 1.00 1.79 O ATOM 911 OE2 GLU A 263 1.500 12.560 2.887 1.00 1.73 O ATOM 0 H GLU A 263 2.216 8.058 -0.450 1.00 0.26 H new ATOM 0 HA GLU A 263 1.986 10.869 0.410 1.00 0.30 H new ATOM 0 HB2 GLU A 263 -0.226 9.827 0.806 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.542 8.524 1.690 1.00 0.37 H new ATOM 0 HG2 GLU A 263 -0.384 10.127 3.253 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.364 10.137 3.375 1.00 0.56 H new ATOM 918 N SER A 264 3.751 10.369 2.157 1.00 0.34 N ATOM 919 CA SER A 264 4.977 10.090 2.886 1.00 0.36 C ATOM 920 C SER A 264 4.980 10.765 4.254 1.00 0.34 C ATOM 921 O SER A 264 4.612 11.931 4.391 1.00 0.39 O ATOM 922 CB SER A 264 6.192 10.546 2.066 1.00 0.46 C ATOM 923 OG SER A 264 7.406 10.046 2.607 1.00 1.41 O ATOM 0 H SER A 264 3.428 11.335 2.213 1.00 0.34 H new ATOM 0 HA SER A 264 5.035 9.013 3.047 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.085 10.206 1.036 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.226 11.635 2.040 1.00 0.46 H new ATOM 0 HG SER A 264 8.159 10.354 2.060 1.00 1.41 H new ATOM 929 N ILE A 265 5.444 10.029 5.249 1.00 0.31 N ATOM 930 CA ILE A 265 5.606 10.544 6.596 1.00 0.34 C ATOM 931 C ILE A 265 7.017 10.214 7.072 1.00 0.38 C ATOM 932 O ILE A 265 7.292 9.085 7.493 1.00 0.42 O ATOM 933 CB ILE A 265 4.584 9.913 7.573 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.169 9.959 6.983 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.621 10.631 8.915 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.144 9.198 7.797 1.00 1.31 C ATOM 0 H ILE A 265 5.720 9.053 5.144 1.00 0.31 H new ATOM 0 HA ILE A 265 5.437 11.621 6.580 1.00 0.34 H new ATOM 0 HB ILE A 265 4.857 8.869 7.727 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.854 10.999 6.899 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.193 9.551 5.973 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.897 10.176 9.591 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.620 10.549 9.344 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.373 11.683 8.772 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.168 9.276 7.318 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.435 8.149 7.860 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.090 9.620 8.801 1.00 1.31 H new ATOM 948 N GLY A 266 7.942 11.144 6.860 1.00 0.48 N ATOM 949 CA GLY A 266 9.340 10.859 7.124 1.00 0.65 C ATOM 950 C GLY A 266 9.841 9.741 6.232 1.00 0.86 C ATOM 951 O GLY A 266 9.582 9.745 5.028 1.00 1.93 O ATOM 0 H GLY A 266 7.751 12.084 6.513 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.936 11.757 6.959 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.467 10.580 8.170 1.00 0.65 H new ATOM 955 N ALA A 267 10.401 8.705 6.841 1.00 0.48 N ATOM 956 CA ALA A 267 10.751 7.496 6.109 1.00 0.39 C ATOM 957 C ALA A 267 9.504 6.707 5.773 1.00 0.30 C ATOM 958 O ALA A 267 9.475 5.957 4.797 1.00 0.32 O ATOM 959 CB ALA A 267 11.676 6.612 6.911 1.00 0.44 C ATOM 0 H ALA A 267 10.622 8.677 7.836 1.00 0.48 H new ATOM 0 HA ALA A 267 11.259 7.807 5.196 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.917 5.719 6.334 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.593 7.156 7.137 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.187 6.322 7.841 1.00 0.44 H new ATOM 965 N LYS A 268 8.528 6.779 6.666 1.00 0.26 N ATOM 966 CA LYS A 268 7.324 5.988 6.524 1.00 0.25 C ATOM 967 C LYS A 268 6.564 6.413 5.283 1.00 0.29 C ATOM 968 O LYS A 268 6.146 7.557 5.152 1.00 0.47 O ATOM 969 CB LYS A 268 6.448 6.126 7.765 1.00 0.28 C ATOM 970 CG LYS A 268 7.082 5.551 9.021 1.00 0.30 C ATOM 971 CD LYS A 268 6.298 5.960 10.259 1.00 0.41 C ATOM 972 CE LYS A 268 6.859 5.328 11.520 1.00 1.20 C ATOM 973 NZ LYS A 268 6.617 3.863 11.562 1.00 2.00 N ATOM 0 H LYS A 268 8.550 7.376 7.493 1.00 0.26 H new ATOM 0 HA LYS A 268 7.603 4.940 6.418 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.227 7.181 7.929 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.496 5.625 7.586 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.118 4.464 8.951 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.112 5.899 9.106 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.316 7.045 10.358 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.254 5.668 10.140 1.00 0.41 H new ATOM 0 HE2 LYS A 268 7.930 5.520 11.576 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.405 5.796 12.393 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.427 3.571 12.542 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 5.798 3.629 10.966 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 7.457 3.362 11.208 1.00 2.00 H new ATOM 987 N ARG A 269 6.438 5.498 4.353 1.00 0.16 N ATOM 988 CA ARG A 269 5.767 5.780 3.112 1.00 0.16 C ATOM 989 C ARG A 269 4.356 5.214 3.139 1.00 0.18 C ATOM 990 O ARG A 269 4.061 4.307 3.913 1.00 0.17 O ATOM 991 CB ARG A 269 6.564 5.228 1.932 1.00 0.20 C ATOM 992 CG ARG A 269 6.035 5.692 0.595 1.00 0.53 C ATOM 993 CD ARG A 269 6.299 7.167 0.337 1.00 0.79 C ATOM 994 NE ARG A 269 7.725 7.487 0.339 1.00 0.69 N ATOM 995 CZ ARG A 269 8.253 8.535 -0.297 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.498 9.287 -1.088 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.536 8.825 -0.147 1.00 1.17 N ATOM 0 H ARG A 269 6.795 4.546 4.435 1.00 0.16 H new ATOM 0 HA ARG A 269 5.697 6.861 2.987 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.606 5.532 2.030 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.546 4.139 1.966 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.495 5.101 -0.197 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.962 5.506 0.550 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.868 7.448 -0.624 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.795 7.762 1.099 1.00 0.79 H new ATOM 0 HE ARG A 269 8.354 6.873 0.857 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.510 9.065 -1.212 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.906 10.087 -1.572 1.00 1.85 H new ATOM 0 HH21 ARG A 269 10.122 8.247 0.455 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.938 9.626 -0.634 1.00 1.17 H new ATOM 1011 N THR A 270 3.444 5.894 2.472 1.00 0.18 N ATOM 1012 CA THR A 270 2.044 5.532 2.528 1.00 0.18 C ATOM 1013 C THR A 270 1.392 5.574 1.149 1.00 0.19 C ATOM 1014 O THR A 270 1.524 6.557 0.416 1.00 0.22 O ATOM 1015 CB THR A 270 1.291 6.473 3.487 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.827 6.346 4.811 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.196 6.172 3.508 1.00 0.24 C ATOM 0 H THR A 270 3.650 6.702 1.884 1.00 0.18 H new ATOM 0 HA THR A 270 1.985 4.508 2.896 1.00 0.18 H new ATOM 0 HB THR A 270 1.424 7.494 3.129 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.346 6.947 5.418 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.696 6.855 4.195 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.607 6.299 2.507 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.355 5.145 3.837 1.00 0.24 H new ATOM 1025 N LEU A 271 0.621 4.540 0.843 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.168 4.522 -0.380 1.00 0.17 C ATOM 1027 C LEU A 271 -1.623 4.838 -0.050 1.00 0.16 C ATOM 1028 O LEU A 271 -2.337 3.994 0.468 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.072 3.152 -1.062 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.604 3.058 -2.505 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -2.113 2.869 -2.534 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.201 4.288 -3.304 1.00 0.49 C ATOM 0 H LEU A 271 0.525 3.706 1.422 1.00 0.17 H new ATOM 0 HA LEU A 271 0.223 5.275 -1.064 1.00 0.17 H new ATOM 0 HB2 LEU A 271 0.974 2.846 -1.065 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.614 2.430 -0.452 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.154 2.179 -2.967 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.452 2.807 -3.568 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.375 1.949 -2.010 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.595 3.715 -2.044 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.586 4.204 -4.320 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.614 5.180 -2.832 1.00 0.49 H new ATOM 0 HD23 LEU A 271 0.886 4.363 -3.332 1.00 0.49 H new ATOM 1044 N THR A 272 -2.068 6.033 -0.366 1.00 0.18 N ATOM 1045 CA THR A 272 -3.450 6.400 -0.119 1.00 0.21 C ATOM 1046 C THR A 272 -4.337 5.912 -1.262 1.00 0.22 C ATOM 1047 O THR A 272 -4.254 6.405 -2.382 1.00 0.29 O ATOM 1048 CB THR A 272 -3.599 7.920 0.036 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.514 8.439 0.818 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.918 8.264 0.708 1.00 0.30 C ATOM 0 H THR A 272 -1.500 6.765 -0.792 1.00 0.18 H new ATOM 0 HA THR A 272 -3.762 5.925 0.811 1.00 0.21 H new ATOM 0 HB THR A 272 -3.583 8.370 -0.957 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.513 9.418 0.767 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.004 9.346 0.808 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.743 7.889 0.103 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.954 7.804 1.696 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.150 4.912 -0.998 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.002 4.362 -2.031 1.00 0.26 C ATOM 1060 C ILE A 273 -7.447 4.821 -1.843 1.00 0.28 C ATOM 1061 O ILE A 273 -8.041 4.671 -0.766 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.884 2.811 -2.098 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.565 2.369 -3.528 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.137 2.105 -1.603 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.633 2.739 -4.536 1.00 0.86 C ATOM 0 H ILE A 273 -5.239 4.466 -0.085 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.661 4.745 -2.993 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.070 2.525 -1.432 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.619 2.817 -3.834 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.425 1.288 -3.541 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.998 1.026 -1.672 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.324 2.381 -0.565 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.988 2.402 -2.216 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.335 2.392 -5.526 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.576 2.270 -4.256 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.758 3.822 -4.553 1.00 0.86 H new ATOM 1077 N SER A 274 -7.977 5.440 -2.886 1.00 0.33 N ATOM 1078 CA SER A 274 -9.337 5.942 -2.884 1.00 0.39 C ATOM 1079 C SER A 274 -10.236 4.976 -3.636 1.00 0.45 C ATOM 1080 O SER A 274 -9.790 4.335 -4.587 1.00 0.50 O ATOM 1081 CB SER A 274 -9.397 7.323 -3.542 1.00 0.52 C ATOM 1082 OG SER A 274 -8.381 8.174 -3.039 1.00 1.13 O ATOM 0 H SER A 274 -7.474 5.607 -3.757 1.00 0.33 H new ATOM 0 HA SER A 274 -9.679 6.031 -1.853 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.287 7.220 -4.622 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.374 7.772 -3.362 1.00 0.52 H new ATOM 0 HG SER A 274 -7.744 8.381 -3.754 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.482 4.866 -3.196 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.448 3.973 -3.822 1.00 0.62 C ATOM 1090 C GLN A 275 -11.951 2.535 -3.802 1.00 0.62 C ATOM 1091 O GLN A 275 -11.612 1.965 -4.841 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.759 4.412 -5.256 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.424 5.775 -5.346 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.828 6.144 -6.759 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.544 5.270 -7.711 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -14.395 7.214 -6.992 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.850 5.389 -2.401 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.370 4.026 -3.243 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.833 4.431 -5.830 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.407 3.670 -5.721 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.307 5.785 -4.707 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.742 6.532 -4.959 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -14.596 7.861 -6.230 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -14.663 7.452 -7.947 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.962 1.943 -2.619 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.598 0.551 -2.448 1.00 0.69 C ATOM 1107 C CYS A 276 -12.342 0.044 -1.248 1.00 0.75 C ATOM 1108 O CYS A 276 -11.762 -0.455 -0.287 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.089 0.374 -2.273 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.151 0.571 -3.805 1.00 2.00 S ATOM 0 H CYS A 276 -12.223 2.415 -1.753 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.866 -0.016 -3.339 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.730 1.098 -1.542 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.894 -0.617 -1.863 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.879 1.196 -4.682 1.00 2.00 H new ATOM 1116 N SER A 277 -13.606 0.406 -1.233 1.00 0.54 N ATOM 1117 CA SER A 277 -14.439 0.216 -0.082 1.00 0.52 C ATOM 1118 C SER A 277 -15.020 -1.202 -0.042 1.00 0.48 C ATOM 1119 O SER A 277 -14.294 -2.175 -0.253 1.00 0.47 O ATOM 1120 CB SER A 277 -15.540 1.265 -0.108 1.00 0.56 C ATOM 1121 OG SER A 277 -16.167 1.312 -1.377 1.00 0.63 O ATOM 0 H SER A 277 -14.080 0.841 -2.025 1.00 0.54 H new ATOM 0 HA SER A 277 -13.844 0.333 0.824 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.281 1.039 0.659 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.121 2.243 0.131 1.00 0.56 H new ATOM 0 HG SER A 277 -16.872 1.992 -1.368 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.327 -1.315 0.233 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.995 -2.610 0.372 1.00 0.54 C ATOM 1129 C LEU A 278 -17.125 -3.350 -0.962 1.00 0.58 C ATOM 1130 O LEU A 278 -18.235 -3.683 -1.382 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.389 -2.429 0.956 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.447 -1.865 2.370 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -19.860 -1.955 2.880 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.503 -2.610 3.299 1.00 0.79 C ATOM 0 H LEU A 278 -16.945 -0.514 0.364 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.372 -3.206 1.039 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.955 -1.769 0.298 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.894 -3.395 0.949 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.130 -0.822 2.345 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -19.908 -1.553 3.892 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -20.519 -1.380 2.229 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -20.178 -2.998 2.889 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.567 -2.184 4.300 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -17.782 -3.663 3.334 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -16.481 -2.518 2.930 1.00 0.79 H new ATOM 1146 N ALA A 279 -16.005 -3.603 -1.620 1.00 0.53 N ATOM 1147 CA ALA A 279 -16.003 -4.292 -2.905 1.00 0.61 C ATOM 1148 C ALA A 279 -14.581 -4.583 -3.352 1.00 0.58 C ATOM 1149 O ALA A 279 -14.319 -5.570 -4.044 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.709 -3.457 -3.967 1.00 0.71 C ATOM 0 H ALA A 279 -15.078 -3.340 -1.284 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.539 -5.233 -2.780 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.696 -3.990 -4.918 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.741 -3.281 -3.664 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -16.196 -2.502 -4.080 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.696 -3.644 -3.071 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.328 -3.716 -3.557 1.00 0.59 C ATOM 1158 C ASP A 280 -11.401 -4.406 -2.563 1.00 0.50 C ATOM 1159 O ASP A 280 -10.184 -4.447 -2.767 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.812 -2.318 -3.872 1.00 0.70 C ATOM 1161 CG ASP A 280 -12.473 -1.715 -5.096 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -12.315 -2.272 -6.202 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -13.176 -0.691 -4.954 1.00 1.84 O ATOM 0 H ASP A 280 -13.900 -2.819 -2.507 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.335 -4.317 -4.467 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.985 -1.669 -3.013 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -10.734 -2.359 -4.029 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.979 -5.012 -1.532 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.239 -5.783 -0.578 1.00 0.33 C ATOM 1170 C ASP A 281 -10.616 -7.006 -1.252 1.00 0.34 C ATOM 1171 O ASP A 281 -11.246 -7.650 -2.094 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.180 -6.198 0.547 1.00 0.40 C ATOM 1173 CG ASP A 281 -13.347 -7.047 0.081 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -14.270 -6.506 -0.564 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.351 -8.265 0.370 1.00 0.81 O ATOM 0 H ASP A 281 -12.981 -4.973 -1.346 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.426 -5.186 -0.165 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -11.615 -6.752 1.296 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -12.565 -5.303 1.036 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.348 -7.254 -0.944 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.572 -8.320 -1.581 1.00 0.37 C ATOM 1182 C ALA A 282 -7.199 -8.399 -0.927 1.00 0.35 C ATOM 1183 O ALA A 282 -7.101 -8.673 0.263 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.441 -8.075 -3.083 1.00 0.48 C ATOM 0 H ALA A 282 -8.826 -6.724 -0.246 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.091 -9.269 -1.446 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.861 -8.880 -3.534 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.433 -8.046 -3.535 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -7.936 -7.124 -3.254 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.156 -8.041 -1.671 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.824 -7.883 -1.097 1.00 0.17 C ATOM 1192 C ALA A 283 -4.033 -6.855 -1.896 1.00 0.15 C ATOM 1193 O ALA A 283 -4.005 -6.916 -3.127 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.087 -9.211 -1.038 1.00 0.22 C ATOM 0 H ALA A 283 -6.208 -7.855 -2.673 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.930 -7.525 -0.073 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.098 -9.059 -0.606 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.649 -9.912 -0.421 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.985 -9.615 -2.045 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.346 -5.953 -1.208 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.484 -4.988 -1.886 1.00 0.13 C ATOM 1202 C TYR A 284 -1.035 -5.189 -1.451 1.00 0.14 C ATOM 1203 O TYR A 284 -0.657 -4.859 -0.335 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.918 -3.523 -1.632 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.092 -3.043 -2.478 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.017 -3.943 -2.988 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.274 -1.682 -2.776 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.080 -3.521 -3.760 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.339 -1.260 -3.545 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.238 -2.179 -4.033 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.300 -1.758 -4.800 1.00 0.41 O ATOM 0 H TYR A 284 -3.366 -5.867 -0.192 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.577 -5.168 -2.957 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.180 -3.415 -0.579 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.065 -2.870 -1.817 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.902 -4.996 -2.776 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.570 -0.956 -2.398 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.786 -4.240 -4.149 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.466 -0.210 -3.763 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.814 -1.085 -4.306 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.212 -5.641 -2.379 1.00 0.13 N ATOM 1222 CA GLN A 285 1.202 -5.781 -2.144 1.00 0.13 C ATOM 1223 C GLN A 285 1.877 -4.428 -2.280 1.00 0.12 C ATOM 1224 O GLN A 285 1.274 -3.458 -2.737 1.00 0.13 O ATOM 1225 CB GLN A 285 1.837 -6.774 -3.125 1.00 0.12 C ATOM 1226 CG GLN A 285 1.179 -8.144 -3.153 1.00 0.15 C ATOM 1227 CD GLN A 285 -0.033 -8.210 -4.063 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.267 -7.156 -4.833 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.747 -9.210 -4.085 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.510 -5.919 -3.314 1.00 0.13 H new ATOM 0 HA GLN A 285 1.341 -6.167 -1.134 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.801 -6.348 -4.127 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.889 -6.896 -2.868 1.00 0.12 H new ATOM 0 HG2 GLN A 285 1.910 -8.884 -3.479 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.880 -8.416 -2.141 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.535 -10.002 -3.478 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.552 -9.248 -4.711 1.00 0.18 H new ATOM 1238 N CYS A 286 3.080 -4.349 -1.777 1.00 0.14 N ATOM 1239 CA CYS A 286 3.813 -3.109 -1.719 1.00 0.19 C ATOM 1240 C CYS A 286 5.173 -3.295 -2.348 1.00 0.19 C ATOM 1241 O CYS A 286 5.713 -4.386 -2.283 1.00 0.20 O ATOM 1242 CB CYS A 286 3.984 -2.744 -0.282 1.00 0.28 C ATOM 1243 SG CYS A 286 2.733 -3.460 0.817 1.00 1.00 S ATOM 0 H CYS A 286 3.584 -5.148 -1.393 1.00 0.14 H new ATOM 0 HA CYS A 286 3.276 -2.326 -2.255 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.971 -3.067 0.049 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.956 -1.658 -0.188 1.00 0.28 H new ATOM 0 HG CYS A 286 2.662 -4.742 0.616 1.00 1.00 H new ATOM 1249 N VAL A 287 5.614 -2.346 -3.161 1.00 0.20 N ATOM 1250 CA VAL A 287 6.738 -2.642 -4.029 1.00 0.21 C ATOM 1251 C VAL A 287 7.702 -1.462 -4.225 1.00 0.22 C ATOM 1252 O VAL A 287 7.311 -0.335 -4.520 1.00 0.24 O ATOM 1253 CB VAL A 287 6.213 -3.194 -5.389 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.697 -3.364 -5.320 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.607 -2.326 -6.577 1.00 0.27 C ATOM 0 H VAL A 287 5.229 -1.404 -3.237 1.00 0.20 H new ATOM 0 HA VAL A 287 7.336 -3.406 -3.533 1.00 0.21 H new ATOM 0 HB VAL A 287 6.686 -4.162 -5.553 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.330 -3.750 -6.271 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.445 -4.064 -4.523 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.232 -2.400 -5.116 1.00 0.18 H new ATOM 0 HG21 VAL A 287 6.212 -2.763 -7.494 1.00 0.27 H new ATOM 0 HG22 VAL A 287 6.198 -1.324 -6.447 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.694 -2.269 -6.641 1.00 0.27 H new ATOM 1265 N VAL A 288 8.985 -1.755 -4.110 1.00 0.24 N ATOM 1266 CA VAL A 288 10.021 -0.770 -4.377 1.00 0.26 C ATOM 1267 C VAL A 288 10.831 -1.206 -5.587 1.00 0.33 C ATOM 1268 O VAL A 288 11.492 -2.248 -5.560 1.00 0.37 O ATOM 1269 CB VAL A 288 10.959 -0.564 -3.162 1.00 0.27 C ATOM 1270 CG1 VAL A 288 12.237 0.146 -3.571 1.00 0.31 C ATOM 1271 CG2 VAL A 288 10.258 0.228 -2.073 1.00 0.36 C ATOM 0 H VAL A 288 9.337 -2.671 -3.832 1.00 0.24 H new ATOM 0 HA VAL A 288 9.532 0.184 -4.574 1.00 0.26 H new ATOM 0 HB VAL A 288 11.219 -1.549 -2.775 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.876 0.277 -2.698 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.761 -0.450 -4.318 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.993 1.122 -3.991 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.934 0.362 -1.228 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.967 1.203 -2.463 1.00 0.36 H new ATOM 0 HG23 VAL A 288 9.370 -0.312 -1.745 1.00 0.36 H new ATOM 1281 N GLY A 289 10.696 -0.460 -6.678 1.00 0.43 N ATOM 1282 CA GLY A 289 11.365 -0.808 -7.918 1.00 0.57 C ATOM 1283 C GLY A 289 10.681 -1.949 -8.651 1.00 0.73 C ATOM 1284 O GLY A 289 10.519 -1.905 -9.869 1.00 1.51 O ATOM 0 H GLY A 289 10.130 0.387 -6.725 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.398 0.067 -8.567 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.397 -1.086 -7.704 1.00 0.57 H new ATOM 1288 N GLY A 290 10.282 -2.967 -7.903 1.00 0.41 N ATOM 1289 CA GLY A 290 9.630 -4.123 -8.483 1.00 0.41 C ATOM 1290 C GLY A 290 9.267 -5.149 -7.431 1.00 0.37 C ATOM 1291 O GLY A 290 8.262 -5.850 -7.556 1.00 0.64 O ATOM 0 H GLY A 290 10.400 -3.012 -6.891 1.00 0.41 H new ATOM 0 HA2 GLY A 290 8.729 -3.807 -9.009 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.288 -4.578 -9.223 1.00 0.41 H new ATOM 1295 N GLU A 291 10.104 -5.251 -6.402 1.00 0.27 N ATOM 1296 CA GLU A 291 9.882 -6.203 -5.323 1.00 0.22 C ATOM 1297 C GLU A 291 8.586 -5.885 -4.586 1.00 0.16 C ATOM 1298 O GLU A 291 8.437 -4.789 -4.064 1.00 0.19 O ATOM 1299 CB GLU A 291 11.068 -6.165 -4.348 1.00 0.26 C ATOM 1300 CG GLU A 291 12.314 -6.852 -4.884 1.00 0.53 C ATOM 1301 CD GLU A 291 12.954 -6.109 -6.038 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.445 -4.982 -5.831 1.00 2.19 O ATOM 1303 OE2 GLU A 291 12.988 -6.659 -7.157 1.00 2.11 O ATOM 0 H GLU A 291 10.944 -4.683 -6.295 1.00 0.27 H new ATOM 0 HA GLU A 291 9.798 -7.203 -5.748 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.306 -5.127 -4.117 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.774 -6.640 -3.412 1.00 0.26 H new ATOM 0 HG2 GLU A 291 13.041 -6.954 -4.078 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.055 -7.860 -5.208 1.00 0.53 H new ATOM 1310 N LYS A 292 7.671 -6.855 -4.516 1.00 0.18 N ATOM 1311 CA LYS A 292 6.380 -6.663 -3.849 1.00 0.16 C ATOM 1312 C LYS A 292 6.264 -7.481 -2.556 1.00 0.17 C ATOM 1313 O LYS A 292 6.641 -8.650 -2.511 1.00 0.29 O ATOM 1314 CB LYS A 292 5.234 -7.004 -4.803 1.00 0.18 C ATOM 1315 CG LYS A 292 5.482 -8.233 -5.658 1.00 0.23 C ATOM 1316 CD LYS A 292 4.341 -8.455 -6.632 1.00 0.29 C ATOM 1317 CE LYS A 292 4.694 -9.489 -7.689 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.010 -10.816 -7.096 1.00 1.33 N ATOM 0 H LYS A 292 7.801 -7.785 -4.915 1.00 0.18 H new ATOM 0 HA LYS A 292 6.314 -5.612 -3.569 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.325 -7.157 -4.221 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.054 -6.151 -5.457 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.416 -8.116 -6.207 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.595 -9.109 -5.019 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.455 -8.781 -6.086 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.088 -7.512 -7.116 1.00 0.29 H new ATOM 0 HE2 LYS A 292 3.861 -9.593 -8.385 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.550 -9.138 -8.266 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.145 -11.513 -7.856 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 5.881 -10.746 -6.532 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.225 -11.119 -6.484 1.00 1.33 H new ATOM 1332 N CYS A 293 5.676 -6.864 -1.532 1.00 0.16 N ATOM 1333 CA CYS A 293 5.375 -7.536 -0.270 1.00 0.18 C ATOM 1334 C CYS A 293 3.874 -7.596 -0.132 1.00 0.15 C ATOM 1335 O CYS A 293 3.204 -6.580 -0.309 1.00 0.14 O ATOM 1336 CB CYS A 293 5.970 -6.799 0.947 1.00 0.28 C ATOM 1337 SG CYS A 293 5.889 -5.001 0.853 1.00 1.55 S ATOM 0 H CYS A 293 5.395 -5.884 -1.555 1.00 0.16 H new ATOM 0 HA CYS A 293 5.821 -8.530 -0.289 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.445 -7.126 1.845 1.00 0.28 H new ATOM 0 HB3 CYS A 293 7.012 -7.097 1.061 1.00 0.28 H new ATOM 0 HG CYS A 293 4.645 -4.622 0.849 1.00 1.55 H new ATOM 1343 N SER A 294 3.332 -8.781 0.026 1.00 0.17 N ATOM 1344 CA SER A 294 1.896 -8.939 -0.016 1.00 0.18 C ATOM 1345 C SER A 294 1.251 -8.574 1.306 1.00 0.17 C ATOM 1346 O SER A 294 1.768 -8.884 2.380 1.00 0.20 O ATOM 1347 CB SER A 294 1.529 -10.370 -0.408 1.00 0.27 C ATOM 1348 OG SER A 294 2.160 -11.315 0.442 1.00 0.61 O ATOM 0 H SER A 294 3.856 -9.642 0.183 1.00 0.17 H new ATOM 0 HA SER A 294 1.512 -8.253 -0.771 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.448 -10.497 -0.357 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.824 -10.553 -1.441 1.00 0.27 H new ATOM 0 HG SER A 294 1.906 -12.221 0.169 1.00 0.61 H new ATOM 1354 N THR A 295 0.113 -7.921 1.215 1.00 0.17 N ATOM 1355 CA THR A 295 -0.646 -7.567 2.385 1.00 0.15 C ATOM 1356 C THR A 295 -2.127 -7.627 2.046 1.00 0.15 C ATOM 1357 O THR A 295 -2.538 -7.229 0.952 1.00 0.15 O ATOM 1358 CB THR A 295 -0.239 -6.175 2.924 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.165 -6.220 4.353 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.207 -5.083 2.500 1.00 0.20 C ATOM 0 H THR A 295 -0.306 -7.624 0.334 1.00 0.17 H new ATOM 0 HA THR A 295 -0.433 -8.279 3.182 1.00 0.15 H new ATOM 0 HB THR A 295 0.734 -5.931 2.499 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.446 -5.357 4.722 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.876 -4.126 2.904 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.237 -5.026 1.412 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.203 -5.312 2.879 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.885 -8.294 2.894 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.283 -8.551 2.613 1.00 0.15 C ATOM 1370 C GLU A 296 -5.098 -7.300 2.869 1.00 0.14 C ATOM 1371 O GLU A 296 -4.679 -6.417 3.621 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.779 -9.724 3.451 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.787 -10.873 3.471 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.238 -12.044 4.313 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.428 -12.074 4.692 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -3.410 -12.926 4.616 1.00 0.96 O ATOM 0 H GLU A 296 -2.556 -8.668 3.784 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.400 -8.820 1.563 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.963 -9.387 4.471 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.731 -10.075 3.054 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.617 -11.214 2.450 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -2.831 -10.511 3.849 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.160 -7.148 2.111 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.945 -5.937 2.143 1.00 0.15 C ATOM 1385 C LEU A 297 -8.389 -6.236 2.511 1.00 0.15 C ATOM 1386 O LEU A 297 -9.123 -6.860 1.739 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.883 -5.243 0.784 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.563 -3.884 0.729 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.947 -2.966 1.767 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.431 -3.290 -0.660 1.00 0.29 C ATOM 0 H LEU A 297 -6.501 -7.855 1.460 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.530 -5.277 2.904 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.837 -5.122 0.501 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.341 -5.893 0.039 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.624 -4.001 0.949 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.435 -1.992 1.727 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.080 -3.398 2.759 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.883 -2.847 1.562 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.922 -2.317 -0.688 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.376 -3.172 -0.906 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.901 -3.954 -1.386 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.797 -5.705 3.649 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.167 -5.819 4.122 1.00 0.19 C ATOM 1404 C PHE A 298 -10.744 -4.424 4.272 1.00 0.19 C ATOM 1405 O PHE A 298 -10.002 -3.477 4.498 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.230 -6.548 5.472 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.677 -7.947 5.455 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.309 -8.173 5.396 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.528 -9.038 5.509 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.804 -9.459 5.391 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.027 -10.325 5.503 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.664 -10.536 5.444 1.00 0.45 C ATOM 0 H PHE A 298 -8.186 -5.180 4.275 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.743 -6.398 3.400 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.682 -5.964 6.211 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.268 -6.586 5.801 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.631 -7.333 5.353 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.595 -8.881 5.556 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.737 -9.621 5.346 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.702 -11.167 5.544 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.272 -11.542 5.439 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.034 -4.262 4.076 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.620 -2.941 4.198 1.00 0.28 C ATOM 1424 C VAL A 299 -13.557 -2.847 5.403 1.00 0.32 C ATOM 1425 O VAL A 299 -14.515 -3.611 5.534 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.346 -2.499 2.907 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.315 -3.549 2.418 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.054 -1.172 3.123 1.00 0.35 C ATOM 0 H VAL A 299 -12.687 -5.008 3.837 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.791 -2.252 4.359 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.590 -2.371 2.132 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.804 -3.198 1.509 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.775 -4.472 2.207 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.067 -3.736 3.185 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.560 -0.876 2.204 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.787 -1.277 3.923 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.324 -0.410 3.397 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.310 -1.839 6.226 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.180 -1.488 7.331 1.00 0.41 C ATOM 1440 C LYS A 300 -15.191 -0.471 6.842 1.00 0.40 C ATOM 1441 O LYS A 300 -14.846 0.413 6.063 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.372 -0.876 8.477 1.00 0.48 C ATOM 1443 CG LYS A 300 -12.401 -1.839 9.136 1.00 1.17 C ATOM 1444 CD LYS A 300 -11.585 -1.155 10.224 1.00 1.72 C ATOM 1445 CE LYS A 300 -10.758 -0.005 9.666 1.00 2.32 C ATOM 1446 NZ LYS A 300 -9.880 0.606 10.699 1.00 3.03 N ATOM 0 H LYS A 300 -12.491 -1.237 6.142 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.679 -2.386 7.695 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.815 -0.019 8.097 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.062 -0.499 9.232 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -12.952 -2.675 9.565 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -11.730 -2.252 8.383 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -12.253 -0.780 10.999 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -10.925 -1.883 10.696 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -10.147 -0.367 8.839 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -11.424 0.757 9.261 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -9.335 1.384 10.276 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -10.464 0.975 11.477 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -9.226 -0.113 11.068 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.426 -0.588 7.268 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.434 0.354 6.833 1.00 0.57 C ATOM 1462 C GLU A 301 -17.244 1.704 7.513 1.00 0.65 C ATOM 1463 O GLU A 301 -17.208 2.728 6.802 1.00 1.41 O ATOM 1464 CB GLU A 301 -18.832 -0.182 7.098 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.161 -1.407 6.271 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.625 -1.766 6.336 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.449 -0.979 5.830 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.959 -2.831 6.897 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.128 1.736 8.757 1.00 1.20 O ATOM 0 H GLU A 301 -16.756 -1.313 7.905 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.320 0.491 5.758 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -18.927 -0.428 8.156 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.561 0.600 6.886 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -18.879 -1.229 5.233 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.567 -2.250 6.623 1.00 0.66 H new