USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 263 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 TYR OH : rot 180:sc= 0 USER MOD Single : A 269 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.32) USER MOD Single : A 271 LYS NZ :NH3+ 146:sc= -0.457 (180deg=-1.78!) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 31:sc= 0.198 USER MOD Single : A 276 MET CE :methyl -167:sc= -0.26 (180deg=-1.2) USER MOD Single : A 277 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 280 CYS SG : rot 160:sc= -1.67 USER MOD Single : A 283 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 289 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 HIS : no HD1:sc= -2! K(o=-2!,f=-3.2) USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 314 SER OG : rot 180:sc= -1.13 USER MOD Single : A 315 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.043) USER MOD Single : A 320 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 LYS NZ :NH3+ 142:sc= -0.136 (180deg=-3.55!) USER MOD Single : A 325 SER OG : rot 180:sc= 0 USER MOD Single : A 327 THR OG1 : rot 52:sc= -0.364 USER MOD Single : A 329 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0232) USER MOD Single : A 331 THR OG1 : rot 140:sc= 0.0667 USER MOD Single : A 332 SER OG : rot 180:sc=-0.00183 USER MOD Single : A 334 SER OG : rot 180:sc= 0 USER MOD Single : A 335 MET CE :methyl 130:sc= -0.194 (180deg=-0.882) USER MOD Single : A 336 LYS NZ :NH3+ -125:sc=-0.00127 (180deg=-0.624) USER MOD Single : A 340 GLN : amide:sc= 0.902 K(o=0.9,f=-1.2) USER MOD Single : A 342 THR OG1 : rot 180:sc= -0.05 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 260 8.532 14.928 0.870 1.00 0.00 N ATOM 67 CA GLU A 260 8.636 13.975 1.968 1.00 0.00 C ATOM 68 C GLU A 260 7.342 13.182 2.125 1.00 0.00 C ATOM 69 O GLU A 260 7.361 11.955 2.212 1.00 0.00 O ATOM 70 CB GLU A 260 8.963 14.701 3.275 1.00 0.00 C ATOM 71 CG GLU A 260 8.023 15.855 3.581 1.00 0.00 C ATOM 72 CD GLU A 260 8.439 16.635 4.813 1.00 0.00 C ATOM 73 OE1 GLU A 260 9.285 17.544 4.681 1.00 0.00 O ATOM 74 OE2 GLU A 260 7.918 16.337 5.908 1.00 0.00 O ATOM 0 HA GLU A 260 9.443 13.280 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 260 8.927 13.986 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 260 9.984 15.078 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 260 7.989 16.528 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 260 7.014 15.469 3.724 1.00 0.00 H new ATOM 81 N GLU A 261 6.219 13.893 2.160 1.00 0.00 N ATOM 82 CA GLU A 261 4.916 13.256 2.307 1.00 0.00 C ATOM 83 C GLU A 261 4.463 12.632 0.990 1.00 0.00 C ATOM 84 O GLU A 261 4.671 13.184 -0.091 1.00 0.00 O ATOM 85 CB GLU A 261 3.877 14.272 2.786 1.00 0.00 C ATOM 86 CG GLU A 261 4.373 15.164 3.912 1.00 0.00 C ATOM 87 CD GLU A 261 5.151 14.398 4.964 1.00 0.00 C ATOM 88 OE1 GLU A 261 6.078 13.649 4.588 1.00 0.00 O ATOM 89 OE2 GLU A 261 4.834 14.546 6.163 1.00 0.00 O ATOM 0 H GLU A 261 6.186 14.910 2.089 1.00 0.00 H new ATOM 0 HA GLU A 261 5.010 12.465 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 261 3.577 14.896 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 261 2.987 13.739 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 261 5.006 15.948 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 261 3.522 15.657 4.382 1.00 0.00 H new ATOM 96 N PRO A 262 3.830 11.453 1.081 1.00 0.00 N ATOM 97 CA PRO A 262 3.335 10.728 -0.093 1.00 0.00 C ATOM 98 C PRO A 262 2.148 11.426 -0.747 1.00 0.00 C ATOM 99 O PRO A 262 1.702 12.478 -0.288 1.00 0.00 O ATOM 100 CB PRO A 262 2.909 9.374 0.480 1.00 0.00 C ATOM 101 CG PRO A 262 2.602 9.648 1.912 1.00 0.00 C ATOM 102 CD PRO A 262 3.548 10.738 2.337 1.00 0.00 C ATOM 0 HA PRO A 262 4.090 10.657 -0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 262 2.038 8.979 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 262 3.703 8.634 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 262 1.565 9.961 2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 262 2.740 8.753 2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 262 3.097 11.395 3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 262 4.457 10.331 2.781 1.00 0.00 H new ATOM 110 N THR A 263 1.638 10.835 -1.823 1.00 0.00 N ATOM 111 CA THR A 263 0.503 11.401 -2.541 1.00 0.00 C ATOM 112 C THR A 263 -0.532 10.329 -2.865 1.00 0.00 C ATOM 113 O THR A 263 -0.186 9.226 -3.288 1.00 0.00 O ATOM 114 CB THR A 263 0.949 12.080 -3.850 1.00 0.00 C ATOM 115 OG1 THR A 263 1.898 13.114 -3.567 1.00 0.00 O ATOM 116 CG2 THR A 263 -0.245 12.668 -4.588 1.00 0.00 C ATOM 0 H THR A 263 1.994 9.964 -2.217 1.00 0.00 H new ATOM 0 HA THR A 263 0.055 12.149 -1.886 1.00 0.00 H new ATOM 0 HB THR A 263 1.413 11.326 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 263 2.178 13.540 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 263 0.094 13.142 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 263 -0.952 11.874 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 263 -0.734 13.410 -3.957 1.00 0.00 H new ATOM 124 N ILE A 264 -1.803 10.661 -2.663 1.00 0.00 N ATOM 125 CA ILE A 264 -2.888 9.727 -2.935 1.00 0.00 C ATOM 126 C ILE A 264 -2.994 9.427 -4.427 1.00 0.00 C ATOM 127 O ILE A 264 -2.733 10.289 -5.264 1.00 0.00 O ATOM 128 CB ILE A 264 -4.239 10.273 -2.437 1.00 0.00 C ATOM 129 CG1 ILE A 264 -4.178 10.550 -0.933 1.00 0.00 C ATOM 130 CG2 ILE A 264 -5.357 9.292 -2.755 1.00 0.00 C ATOM 131 CD1 ILE A 264 -5.265 11.482 -0.445 1.00 0.00 C ATOM 0 H ILE A 264 -2.106 11.569 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.655 8.808 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 264 -4.448 11.210 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -4.252 9.605 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -3.206 10.980 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -6.305 9.692 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -5.412 9.140 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -5.156 8.340 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -5.160 11.633 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -5.179 12.441 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -6.241 11.045 -0.656 1.00 0.00 H new ATOM 143 N GLY A 265 -3.379 8.196 -4.751 1.00 0.00 N ATOM 144 CA GLY A 265 -3.515 7.804 -6.142 1.00 0.00 C ATOM 145 C GLY A 265 -2.199 7.360 -6.749 1.00 0.00 C ATOM 146 O GLY A 265 -2.168 6.466 -7.595 1.00 0.00 O ATOM 0 H GLY A 265 -3.599 7.464 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -4.239 6.993 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -3.912 8.642 -6.715 1.00 0.00 H new ATOM 150 N ASP A 266 -1.109 7.987 -6.319 1.00 0.00 N ATOM 151 CA ASP A 266 0.216 7.652 -6.827 1.00 0.00 C ATOM 152 C ASP A 266 0.711 6.338 -6.231 1.00 0.00 C ATOM 153 O ASP A 266 0.519 6.072 -5.044 1.00 0.00 O ATOM 154 CB ASP A 266 1.206 8.775 -6.509 1.00 0.00 C ATOM 155 CG ASP A 266 1.169 9.887 -7.539 1.00 0.00 C ATOM 156 OD1 ASP A 266 1.574 9.639 -8.695 1.00 0.00 O ATOM 157 OD2 ASP A 266 0.736 11.004 -7.190 1.00 0.00 O ATOM 0 H ASP A 266 -1.117 8.730 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 266 0.144 7.535 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 266 0.980 9.187 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 266 2.214 8.364 -6.459 1.00 0.00 H new ATOM 162 N ILE A 267 1.346 5.519 -7.063 1.00 0.00 N ATOM 163 CA ILE A 267 1.867 4.233 -6.617 1.00 0.00 C ATOM 164 C ILE A 267 3.274 4.378 -6.046 1.00 0.00 C ATOM 165 O ILE A 267 4.056 5.214 -6.498 1.00 0.00 O ATOM 166 CB ILE A 267 1.896 3.209 -7.767 1.00 0.00 C ATOM 167 CG1 ILE A 267 0.500 3.050 -8.373 1.00 0.00 C ATOM 168 CG2 ILE A 267 2.419 1.869 -7.271 1.00 0.00 C ATOM 169 CD1 ILE A 267 0.484 2.243 -9.652 1.00 0.00 C ATOM 0 H ILE A 267 1.512 5.723 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 267 1.196 3.874 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 267 2.569 3.575 -8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -0.152 2.571 -7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 267 0.084 4.038 -8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 267 2.433 1.156 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 267 3.429 1.994 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 267 1.769 1.495 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -0.538 2.172 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 267 1.109 2.732 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 267 0.869 1.242 -9.456 1.00 0.00 H new ATOM 181 N TYR A 268 3.589 3.557 -5.050 1.00 0.00 N ATOM 182 CA TYR A 268 4.901 3.593 -4.416 1.00 0.00 C ATOM 183 C TYR A 268 5.384 2.185 -4.082 1.00 0.00 C ATOM 184 O TYR A 268 4.591 1.248 -3.999 1.00 0.00 O ATOM 185 CB TYR A 268 4.853 4.443 -3.145 1.00 0.00 C ATOM 186 CG TYR A 268 4.661 5.919 -3.410 1.00 0.00 C ATOM 187 CD1 TYR A 268 3.448 6.410 -3.876 1.00 0.00 C ATOM 188 CD2 TYR A 268 5.693 6.823 -3.193 1.00 0.00 C ATOM 189 CE1 TYR A 268 3.269 7.757 -4.121 1.00 0.00 C ATOM 190 CE2 TYR A 268 5.523 8.173 -3.434 1.00 0.00 C ATOM 191 CZ TYR A 268 4.309 8.635 -3.898 1.00 0.00 C ATOM 192 OH TYR A 268 4.134 9.979 -4.138 1.00 0.00 O ATOM 0 H TYR A 268 2.953 2.859 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 268 5.604 4.041 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 268 4.041 4.088 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 268 5.779 4.300 -2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 268 2.630 5.726 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 268 6.645 6.465 -2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 268 2.320 8.121 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 268 6.336 8.862 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 268 4.962 10.459 -3.929 1.00 0.00 H new ATOM 202 N ASN A 269 6.692 2.045 -3.890 1.00 0.00 N ATOM 203 CA ASN A 269 7.283 0.752 -3.565 1.00 0.00 C ATOM 204 C ASN A 269 7.503 0.618 -2.061 1.00 0.00 C ATOM 205 O ASN A 269 8.015 1.530 -1.414 1.00 0.00 O ATOM 206 CB ASN A 269 8.611 0.574 -4.304 1.00 0.00 C ATOM 207 CG ASN A 269 8.590 1.195 -5.687 1.00 0.00 C ATOM 208 OD1 ASN A 269 7.594 1.104 -6.405 1.00 0.00 O ATOM 209 ND2 ASN A 269 9.693 1.829 -6.068 1.00 0.00 N ATOM 0 H ASN A 269 7.362 2.811 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 269 6.591 -0.027 -3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 269 9.413 1.024 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 269 8.837 -0.489 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 269 9.738 2.265 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 269 10.495 1.880 -5.440 1.00 0.00 H new ATOM 216 N GLY A 270 7.113 -0.528 -1.511 1.00 0.00 N ATOM 217 CA GLY A 270 7.276 -0.762 -0.088 1.00 0.00 C ATOM 218 C GLY A 270 7.601 -2.208 0.228 1.00 0.00 C ATOM 219 O GLY A 270 7.535 -3.073 -0.646 1.00 0.00 O ATOM 0 H GLY A 270 6.687 -1.299 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 270 8.072 -0.122 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 270 6.361 -0.477 0.431 1.00 0.00 H new ATOM 223 N LYS A 271 7.954 -2.473 1.482 1.00 0.00 N ATOM 224 CA LYS A 271 8.291 -3.825 1.913 1.00 0.00 C ATOM 225 C LYS A 271 7.614 -4.157 3.239 1.00 0.00 C ATOM 226 O LYS A 271 7.461 -3.294 4.103 1.00 0.00 O ATOM 227 CB LYS A 271 9.807 -3.975 2.050 1.00 0.00 C ATOM 228 CG LYS A 271 10.228 -5.194 2.853 1.00 0.00 C ATOM 229 CD LYS A 271 10.346 -4.873 4.333 1.00 0.00 C ATOM 230 CE LYS A 271 11.681 -4.218 4.656 1.00 0.00 C ATOM 231 NZ LYS A 271 11.604 -2.733 4.574 1.00 0.00 N ATOM 0 H LYS A 271 8.014 -1.769 2.218 1.00 0.00 H new ATOM 0 HA LYS A 271 7.930 -4.522 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 271 10.249 -4.035 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 271 10.211 -3.081 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 271 9.501 -5.994 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 271 11.185 -5.562 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 271 9.533 -4.210 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 271 10.238 -5.788 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 271 11.996 -4.511 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 271 12.441 -4.581 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 12.232 -2.313 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 11.900 -2.422 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 10.626 -2.426 4.749 1.00 0.00 H new ATOM 245 N VAL A 272 7.212 -5.415 3.394 1.00 0.00 N ATOM 246 CA VAL A 272 6.554 -5.862 4.616 1.00 0.00 C ATOM 247 C VAL A 272 7.543 -5.945 5.773 1.00 0.00 C ATOM 248 O VAL A 272 8.469 -6.757 5.758 1.00 0.00 O ATOM 249 CB VAL A 272 5.889 -7.238 4.424 1.00 0.00 C ATOM 250 CG1 VAL A 272 5.458 -7.815 5.764 1.00 0.00 C ATOM 251 CG2 VAL A 272 4.705 -7.130 3.475 1.00 0.00 C ATOM 0 H VAL A 272 7.331 -6.142 2.689 1.00 0.00 H new ATOM 0 HA VAL A 272 5.786 -5.125 4.850 1.00 0.00 H new ATOM 0 HB VAL A 272 6.619 -7.916 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 272 4.990 -8.787 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 272 6.330 -7.931 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 272 4.744 -7.141 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.247 -8.111 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 272 3.971 -6.437 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 272 5.047 -6.764 2.507 1.00 0.00 H new ATOM 261 N THR A 273 7.341 -5.098 6.778 1.00 0.00 N ATOM 262 CA THR A 273 8.214 -5.074 7.945 1.00 0.00 C ATOM 263 C THR A 273 7.678 -5.975 9.052 1.00 0.00 C ATOM 264 O THR A 273 8.446 -6.556 9.818 1.00 0.00 O ATOM 265 CB THR A 273 8.378 -3.645 8.495 1.00 0.00 C ATOM 266 OG1 THR A 273 7.092 -3.053 8.710 1.00 0.00 O ATOM 267 CG2 THR A 273 9.184 -2.784 7.535 1.00 0.00 C ATOM 0 H THR A 273 6.580 -4.419 6.807 1.00 0.00 H new ATOM 0 HA THR A 273 9.186 -5.443 7.619 1.00 0.00 H new ATOM 0 HB THR A 273 8.914 -3.703 9.442 1.00 0.00 H new ATOM 0 HG1 THR A 273 7.204 -2.145 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 273 9.286 -1.779 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 273 10.173 -3.222 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 273 8.672 -2.733 6.574 1.00 0.00 H new ATOM 275 N SER A 274 6.356 -6.087 9.129 1.00 0.00 N ATOM 276 CA SER A 274 5.717 -6.915 10.145 1.00 0.00 C ATOM 277 C SER A 274 4.360 -7.416 9.662 1.00 0.00 C ATOM 278 O SER A 274 3.530 -6.638 9.191 1.00 0.00 O ATOM 279 CB SER A 274 5.549 -6.125 11.445 1.00 0.00 C ATOM 280 OG SER A 274 6.676 -6.285 12.288 1.00 0.00 O ATOM 0 H SER A 274 5.707 -5.615 8.500 1.00 0.00 H new ATOM 0 HA SER A 274 6.357 -7.777 10.332 1.00 0.00 H new ATOM 0 HB2 SER A 274 5.409 -5.068 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 274 4.652 -6.461 11.965 1.00 0.00 H new ATOM 0 HG SER A 274 7.477 -6.423 11.741 1.00 0.00 H new ATOM 286 N ILE A 275 4.141 -8.721 9.782 1.00 0.00 N ATOM 287 CA ILE A 275 2.885 -9.328 9.360 1.00 0.00 C ATOM 288 C ILE A 275 1.918 -9.463 10.531 1.00 0.00 C ATOM 289 O ILE A 275 2.137 -10.263 11.440 1.00 0.00 O ATOM 290 CB ILE A 275 3.113 -10.716 8.733 1.00 0.00 C ATOM 291 CG1 ILE A 275 3.906 -10.589 7.431 1.00 0.00 C ATOM 292 CG2 ILE A 275 1.782 -11.409 8.483 1.00 0.00 C ATOM 293 CD1 ILE A 275 5.395 -10.430 7.644 1.00 0.00 C ATOM 0 H ILE A 275 4.818 -9.379 10.168 1.00 0.00 H new ATOM 0 HA ILE A 275 2.452 -8.667 8.610 1.00 0.00 H new ATOM 0 HB ILE A 275 3.691 -11.322 9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 275 3.727 -11.473 6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 275 3.534 -9.732 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 275 1.960 -12.389 8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 275 1.251 -11.529 9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 275 1.180 -10.807 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.894 -10.346 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 275 5.585 -9.531 8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 275 5.781 -11.299 8.177 1.00 0.00 H new ATOM 305 N MET A 276 0.847 -8.677 10.501 1.00 0.00 N ATOM 306 CA MET A 276 -0.156 -8.711 11.559 1.00 0.00 C ATOM 307 C MET A 276 -1.307 -9.640 11.187 1.00 0.00 C ATOM 308 O MET A 276 -1.577 -9.867 10.008 1.00 0.00 O ATOM 309 CB MET A 276 -0.689 -7.303 11.832 1.00 0.00 C ATOM 310 CG MET A 276 0.397 -6.299 12.181 1.00 0.00 C ATOM 311 SD MET A 276 1.318 -6.759 13.662 1.00 0.00 S ATOM 312 CE MET A 276 2.512 -5.427 13.745 1.00 0.00 C ATOM 0 H MET A 276 0.651 -8.009 9.756 1.00 0.00 H new ATOM 0 HA MET A 276 0.318 -9.093 12.463 1.00 0.00 H new ATOM 0 HB2 MET A 276 -1.229 -6.951 10.953 1.00 0.00 H new ATOM 0 HB3 MET A 276 -1.408 -7.348 12.650 1.00 0.00 H new ATOM 0 HG2 MET A 276 1.087 -6.209 11.342 1.00 0.00 H new ATOM 0 HG3 MET A 276 -0.054 -5.318 12.329 1.00 0.00 H new ATOM 0 HE1 MET A 276 3.293 -5.683 14.461 1.00 0.00 H new ATOM 0 HE2 MET A 276 2.956 -5.275 12.761 1.00 0.00 H new ATOM 0 HE3 MET A 276 2.014 -4.511 14.064 1.00 0.00 H new ATOM 322 N GLN A 277 -1.980 -10.176 12.201 1.00 0.00 N ATOM 323 CA GLN A 277 -3.101 -11.081 11.979 1.00 0.00 C ATOM 324 C GLN A 277 -4.132 -10.453 11.046 1.00 0.00 C ATOM 325 O GLN A 277 -4.739 -11.139 10.223 1.00 0.00 O ATOM 326 CB GLN A 277 -3.758 -11.449 13.310 1.00 0.00 C ATOM 327 CG GLN A 277 -4.456 -12.800 13.291 1.00 0.00 C ATOM 328 CD GLN A 277 -5.232 -13.073 14.564 1.00 0.00 C ATOM 329 OE1 GLN A 277 -5.032 -12.410 15.582 1.00 0.00 O ATOM 330 NE2 GLN A 277 -6.125 -14.055 14.514 1.00 0.00 N ATOM 0 H GLN A 277 -1.768 -9.999 13.183 1.00 0.00 H new ATOM 0 HA GLN A 277 -2.716 -11.986 11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -2.999 -11.453 14.092 1.00 0.00 H new ATOM 0 HB3 GLN A 277 -4.483 -10.679 13.573 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -5.135 -12.842 12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -3.715 -13.586 13.146 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -6.259 -14.579 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -6.677 -14.285 15.340 1.00 0.00 H new ATOM 339 N PHE A 278 -4.325 -9.145 11.180 1.00 0.00 N ATOM 340 CA PHE A 278 -5.283 -8.425 10.350 1.00 0.00 C ATOM 341 C PHE A 278 -4.671 -8.067 8.999 1.00 0.00 C ATOM 342 O PHE A 278 -5.198 -8.435 7.950 1.00 0.00 O ATOM 343 CB PHE A 278 -5.752 -7.155 11.062 1.00 0.00 C ATOM 344 CG PHE A 278 -4.683 -6.502 11.891 1.00 0.00 C ATOM 345 CD1 PHE A 278 -4.432 -6.930 13.184 1.00 0.00 C ATOM 346 CD2 PHE A 278 -3.929 -5.459 11.376 1.00 0.00 C ATOM 347 CE1 PHE A 278 -3.449 -6.332 13.950 1.00 0.00 C ATOM 348 CE2 PHE A 278 -2.945 -4.857 12.136 1.00 0.00 C ATOM 349 CZ PHE A 278 -2.705 -5.293 13.425 1.00 0.00 C ATOM 0 H PHE A 278 -3.831 -8.562 11.856 1.00 0.00 H new ATOM 0 HA PHE A 278 -6.140 -9.076 10.180 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -6.110 -6.443 10.319 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -6.599 -7.399 11.703 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -5.012 -7.741 13.599 1.00 0.00 H new ATOM 0 HD2 PHE A 278 -4.113 -5.113 10.370 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -3.263 -6.676 14.957 1.00 0.00 H new ATOM 0 HE2 PHE A 278 -2.364 -4.046 11.723 1.00 0.00 H new ATOM 0 HZ PHE A 278 -1.937 -4.822 14.021 1.00 0.00 H new ATOM 359 N GLY A 279 -3.555 -7.346 9.033 1.00 0.00 N ATOM 360 CA GLY A 279 -2.890 -6.950 7.806 1.00 0.00 C ATOM 361 C GLY A 279 -1.379 -7.001 7.922 1.00 0.00 C ATOM 362 O GLY A 279 -0.842 -7.571 8.873 1.00 0.00 O ATOM 0 H GLY A 279 -3.099 -7.029 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 279 -3.211 -7.604 6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 279 -3.197 -5.938 7.540 1.00 0.00 H new ATOM 366 N CYS A 280 -0.692 -6.406 6.953 1.00 0.00 N ATOM 367 CA CYS A 280 0.766 -6.388 6.950 1.00 0.00 C ATOM 368 C CYS A 280 1.292 -4.964 6.800 1.00 0.00 C ATOM 369 O CYS A 280 0.890 -4.235 5.893 1.00 0.00 O ATOM 370 CB CYS A 280 1.305 -7.265 5.819 1.00 0.00 C ATOM 371 SG CYS A 280 0.847 -6.700 4.164 1.00 0.00 S ATOM 0 H CYS A 280 -1.121 -5.930 6.160 1.00 0.00 H new ATOM 0 HA CYS A 280 1.112 -6.785 7.904 1.00 0.00 H new ATOM 0 HB2 CYS A 280 2.392 -7.303 5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 280 0.940 -8.283 5.958 1.00 0.00 H new ATOM 0 HG CYS A 280 1.661 -7.213 3.290 1.00 0.00 H new ATOM 377 N PHE A 281 2.192 -4.574 7.696 1.00 0.00 N ATOM 378 CA PHE A 281 2.772 -3.236 7.666 1.00 0.00 C ATOM 379 C PHE A 281 3.857 -3.138 6.598 1.00 0.00 C ATOM 380 O PHE A 281 4.894 -3.794 6.689 1.00 0.00 O ATOM 381 CB PHE A 281 3.353 -2.878 9.035 1.00 0.00 C ATOM 382 CG PHE A 281 2.321 -2.415 10.022 1.00 0.00 C ATOM 383 CD1 PHE A 281 1.783 -1.141 9.937 1.00 0.00 C ATOM 384 CD2 PHE A 281 1.888 -3.254 11.037 1.00 0.00 C ATOM 385 CE1 PHE A 281 0.833 -0.711 10.844 1.00 0.00 C ATOM 386 CE2 PHE A 281 0.937 -2.830 11.946 1.00 0.00 C ATOM 387 CZ PHE A 281 0.410 -1.557 11.851 1.00 0.00 C ATOM 0 H PHE A 281 2.536 -5.166 8.452 1.00 0.00 H new ATOM 0 HA PHE A 281 1.980 -2.529 7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 281 3.868 -3.749 9.441 1.00 0.00 H new ATOM 0 HB3 PHE A 281 4.101 -2.095 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 281 2.110 -0.475 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 281 2.298 -4.250 11.118 1.00 0.00 H new ATOM 0 HE1 PHE A 281 0.422 0.285 10.766 1.00 0.00 H new ATOM 0 HE2 PHE A 281 0.606 -3.494 12.731 1.00 0.00 H new ATOM 0 HZ PHE A 281 -0.331 -1.224 12.562 1.00 0.00 H new ATOM 397 N VAL A 282 3.609 -2.313 5.585 1.00 0.00 N ATOM 398 CA VAL A 282 4.564 -2.127 4.499 1.00 0.00 C ATOM 399 C VAL A 282 5.215 -0.750 4.569 1.00 0.00 C ATOM 400 O VAL A 282 4.530 0.272 4.543 1.00 0.00 O ATOM 401 CB VAL A 282 3.891 -2.296 3.124 1.00 0.00 C ATOM 402 CG1 VAL A 282 4.891 -2.048 2.006 1.00 0.00 C ATOM 403 CG2 VAL A 282 3.272 -3.680 3.001 1.00 0.00 C ATOM 0 H VAL A 282 2.755 -1.763 5.494 1.00 0.00 H new ATOM 0 HA VAL A 282 5.330 -2.894 4.617 1.00 0.00 H new ATOM 0 HB VAL A 282 3.094 -1.558 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 282 4.397 -2.172 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 282 5.282 -1.034 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 282 5.712 -2.760 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 282 2.801 -3.782 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 282 4.049 -4.437 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 282 2.522 -3.814 3.781 1.00 0.00 H new ATOM 413 N GLN A 283 6.541 -0.732 4.656 1.00 0.00 N ATOM 414 CA GLN A 283 7.284 0.520 4.730 1.00 0.00 C ATOM 415 C GLN A 283 7.690 0.995 3.338 1.00 0.00 C ATOM 416 O GLN A 283 8.333 0.264 2.584 1.00 0.00 O ATOM 417 CB GLN A 283 8.527 0.350 5.606 1.00 0.00 C ATOM 418 CG GLN A 283 9.283 1.646 5.847 1.00 0.00 C ATOM 419 CD GLN A 283 10.500 1.456 6.731 1.00 0.00 C ATOM 420 OE1 GLN A 283 10.510 1.872 7.890 1.00 0.00 O ATOM 421 NE2 GLN A 283 11.534 0.824 6.189 1.00 0.00 N ATOM 0 H GLN A 283 7.122 -1.570 4.677 1.00 0.00 H new ATOM 0 HA GLN A 283 6.634 1.273 5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 283 8.230 -0.071 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 283 9.197 -0.370 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 283 9.596 2.063 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 283 8.614 2.372 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 283 11.483 0.496 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 283 12.380 0.666 6.737 1.00 0.00 H new ATOM 430 N LEU A 284 7.309 2.223 3.004 1.00 0.00 N ATOM 431 CA LEU A 284 7.633 2.796 1.702 1.00 0.00 C ATOM 432 C LEU A 284 9.135 3.028 1.567 1.00 0.00 C ATOM 433 O LEU A 284 9.817 3.320 2.549 1.00 0.00 O ATOM 434 CB LEU A 284 6.882 4.114 1.502 1.00 0.00 C ATOM 435 CG LEU A 284 5.359 4.043 1.622 1.00 0.00 C ATOM 436 CD1 LEU A 284 4.761 5.441 1.655 1.00 0.00 C ATOM 437 CD2 LEU A 284 4.770 3.236 0.474 1.00 0.00 C ATOM 0 H LEU A 284 6.776 2.841 3.616 1.00 0.00 H new ATOM 0 HA LEU A 284 7.323 2.088 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.251 4.834 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.131 4.505 0.515 1.00 0.00 H new ATOM 0 HG LEU A 284 5.110 3.541 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 284 3.677 5.371 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.158 5.986 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 284 5.019 5.969 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.686 3.196 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.028 3.709 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 284 5.174 2.224 0.496 1.00 0.00 H new ATOM 449 N GLU A 285 9.641 2.899 0.345 1.00 0.00 N ATOM 450 CA GLU A 285 11.062 3.096 0.083 1.00 0.00 C ATOM 451 C GLU A 285 11.278 4.217 -0.931 1.00 0.00 C ATOM 452 O GLU A 285 11.004 4.054 -2.119 1.00 0.00 O ATOM 453 CB GLU A 285 11.693 1.801 -0.431 1.00 0.00 C ATOM 454 CG GLU A 285 11.635 0.658 0.569 1.00 0.00 C ATOM 455 CD GLU A 285 12.625 -0.446 0.250 1.00 0.00 C ATOM 456 OE1 GLU A 285 12.880 -0.688 -0.948 1.00 0.00 O ATOM 457 OE2 GLU A 285 13.144 -1.069 1.201 1.00 0.00 O ATOM 0 H GLU A 285 9.089 2.659 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 285 11.542 3.379 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 285 11.186 1.498 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 285 12.734 1.992 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 285 11.836 1.044 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 285 10.627 0.244 0.584 1.00 0.00 H new ATOM 464 N GLY A 286 11.770 5.355 -0.451 1.00 0.00 N ATOM 465 CA GLY A 286 12.013 6.486 -1.327 1.00 0.00 C ATOM 466 C GLY A 286 11.871 7.814 -0.612 1.00 0.00 C ATOM 467 O GLY A 286 12.864 8.486 -0.330 1.00 0.00 O ATOM 0 H GLY A 286 12.005 5.514 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 286 13.016 6.408 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 286 11.315 6.451 -2.163 1.00 0.00 H new ATOM 471 N LEU A 287 10.633 8.196 -0.319 1.00 0.00 N ATOM 472 CA LEU A 287 10.362 9.455 0.367 1.00 0.00 C ATOM 473 C LEU A 287 11.367 9.690 1.490 1.00 0.00 C ATOM 474 O LEU A 287 11.683 8.778 2.255 1.00 0.00 O ATOM 475 CB LEU A 287 8.940 9.457 0.930 1.00 0.00 C ATOM 476 CG LEU A 287 7.811 9.390 -0.098 1.00 0.00 C ATOM 477 CD1 LEU A 287 6.489 9.065 0.581 1.00 0.00 C ATOM 478 CD2 LEU A 287 7.710 10.701 -0.865 1.00 0.00 C ATOM 0 H LEU A 287 9.801 7.652 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 287 10.459 10.263 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 287 8.838 8.609 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 287 8.808 10.360 1.526 1.00 0.00 H new ATOM 0 HG LEU A 287 8.038 8.593 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 287 5.697 9.021 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 287 6.566 8.101 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 287 6.256 9.839 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 287 6.901 10.635 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 287 7.507 11.515 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 287 8.650 10.893 -1.383 1.00 0.00 H new ATOM 490 N ARG A 288 11.864 10.919 1.585 1.00 0.00 N ATOM 491 CA ARG A 288 12.832 11.274 2.616 1.00 0.00 C ATOM 492 C ARG A 288 12.350 10.825 3.992 1.00 0.00 C ATOM 493 O ARG A 288 13.129 10.317 4.800 1.00 0.00 O ATOM 494 CB ARG A 288 13.077 12.784 2.617 1.00 0.00 C ATOM 495 CG ARG A 288 13.900 13.268 1.435 1.00 0.00 C ATOM 496 CD ARG A 288 15.389 13.061 1.670 1.00 0.00 C ATOM 497 NE ARG A 288 15.913 13.968 2.688 1.00 0.00 N ATOM 498 CZ ARG A 288 17.156 13.910 3.153 1.00 0.00 C ATOM 499 NH1 ARG A 288 17.997 12.994 2.694 1.00 0.00 N ATOM 500 NH2 ARG A 288 17.560 14.770 4.079 1.00 0.00 N ATOM 0 H ARG A 288 11.612 11.685 0.961 1.00 0.00 H new ATOM 0 HA ARG A 288 13.768 10.761 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 288 12.117 13.299 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 288 13.586 13.060 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 288 13.595 12.734 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 288 13.702 14.326 1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 288 15.568 12.030 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 288 15.928 13.214 0.735 1.00 0.00 H new ATOM 0 HE ARG A 288 15.291 14.685 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 288 17.690 12.331 1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 288 18.951 12.952 3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 288 16.916 15.477 4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 288 18.515 14.725 4.435 1.00 0.00 H new ATOM 514 N LYS A 289 11.062 11.015 4.253 1.00 0.00 N ATOM 515 CA LYS A 289 10.474 10.629 5.531 1.00 0.00 C ATOM 516 C LYS A 289 9.940 9.201 5.475 1.00 0.00 C ATOM 517 O LYS A 289 8.954 8.923 4.793 1.00 0.00 O ATOM 518 CB LYS A 289 9.346 11.592 5.908 1.00 0.00 C ATOM 519 CG LYS A 289 8.585 11.179 7.156 1.00 0.00 C ATOM 520 CD LYS A 289 7.738 12.319 7.696 1.00 0.00 C ATOM 521 CE LYS A 289 7.152 11.981 9.058 1.00 0.00 C ATOM 522 NZ LYS A 289 6.568 13.179 9.723 1.00 0.00 N ATOM 0 H LYS A 289 10.404 11.434 3.596 1.00 0.00 H new ATOM 0 HA LYS A 289 11.254 10.677 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 289 9.765 12.587 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 289 8.648 11.665 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 289 7.946 10.326 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 289 9.289 10.854 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 289 8.346 13.220 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 289 6.932 12.538 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 289 6.382 11.218 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 289 7.930 11.556 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 289 6.179 12.907 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 289 7.308 13.898 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 289 5.809 13.570 9.130 1.00 0.00 H new ATOM 536 N ARG A 290 10.598 8.301 6.198 1.00 0.00 N ATOM 537 CA ARG A 290 10.189 6.902 6.231 1.00 0.00 C ATOM 538 C ARG A 290 8.750 6.767 6.721 1.00 0.00 C ATOM 539 O ARG A 290 8.451 7.050 7.881 1.00 0.00 O ATOM 540 CB ARG A 290 11.125 6.096 7.134 1.00 0.00 C ATOM 541 CG ARG A 290 12.381 5.610 6.431 1.00 0.00 C ATOM 542 CD ARG A 290 13.421 6.714 6.321 1.00 0.00 C ATOM 543 NE ARG A 290 14.060 6.993 7.604 1.00 0.00 N ATOM 544 CZ ARG A 290 14.630 8.155 7.904 1.00 0.00 C ATOM 545 NH1 ARG A 290 14.641 9.140 7.016 1.00 0.00 N ATOM 546 NH2 ARG A 290 15.191 8.333 9.093 1.00 0.00 N ATOM 0 H ARG A 290 11.416 8.515 6.768 1.00 0.00 H new ATOM 0 HA ARG A 290 10.247 6.509 5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 290 11.411 6.711 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 290 10.584 5.236 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 290 12.801 4.766 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 290 12.125 5.249 5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 290 14.180 6.426 5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 290 12.948 7.622 5.947 1.00 0.00 H new ATOM 0 HE ARG A 290 14.069 6.255 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 290 14.211 9.006 6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 290 15.079 10.031 7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 290 15.185 7.577 9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 290 15.628 9.226 9.322 1.00 0.00 H new ATOM 560 N TRP A 291 7.866 6.334 5.831 1.00 0.00 N ATOM 561 CA TRP A 291 6.458 6.163 6.173 1.00 0.00 C ATOM 562 C TRP A 291 6.136 4.695 6.431 1.00 0.00 C ATOM 563 O TRP A 291 6.781 3.803 5.882 1.00 0.00 O ATOM 564 CB TRP A 291 5.570 6.703 5.052 1.00 0.00 C ATOM 565 CG TRP A 291 5.460 8.198 5.049 1.00 0.00 C ATOM 566 CD1 TRP A 291 6.157 9.070 4.261 1.00 0.00 C ATOM 567 CD2 TRP A 291 4.605 8.996 5.875 1.00 0.00 C ATOM 568 NE1 TRP A 291 5.786 10.361 4.548 1.00 0.00 N ATOM 569 CE2 TRP A 291 4.835 10.343 5.533 1.00 0.00 C ATOM 570 CE3 TRP A 291 3.666 8.704 6.867 1.00 0.00 C ATOM 571 CZ2 TRP A 291 4.160 11.393 6.151 1.00 0.00 C ATOM 572 CZ3 TRP A 291 2.998 9.747 7.480 1.00 0.00 C ATOM 573 CH2 TRP A 291 3.247 11.078 7.119 1.00 0.00 C ATOM 0 H TRP A 291 8.098 6.095 4.867 1.00 0.00 H new ATOM 0 HA TRP A 291 6.260 6.725 7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 291 5.968 6.373 4.092 1.00 0.00 H new ATOM 0 HB3 TRP A 291 4.573 6.273 5.149 1.00 0.00 H new ATOM 0 HD1 TRP A 291 6.891 8.786 3.522 1.00 0.00 H new ATOM 0 HE1 TRP A 291 6.159 11.198 4.100 1.00 0.00 H new ATOM 0 HE3 TRP A 291 3.466 7.681 7.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 291 4.351 12.420 5.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 291 2.272 9.533 8.250 1.00 0.00 H new ATOM 0 HH2 TRP A 291 2.707 11.871 7.615 1.00 0.00 H new ATOM 584 N GLU A 292 5.133 4.452 7.269 1.00 0.00 N ATOM 585 CA GLU A 292 4.726 3.091 7.599 1.00 0.00 C ATOM 586 C GLU A 292 3.221 2.914 7.419 1.00 0.00 C ATOM 587 O GLU A 292 2.424 3.543 8.114 1.00 0.00 O ATOM 588 CB GLU A 292 5.123 2.751 9.037 1.00 0.00 C ATOM 589 CG GLU A 292 4.854 1.305 9.417 1.00 0.00 C ATOM 590 CD GLU A 292 5.724 0.831 10.565 1.00 0.00 C ATOM 591 OE1 GLU A 292 6.958 1.006 10.485 1.00 0.00 O ATOM 592 OE2 GLU A 292 5.171 0.287 11.544 1.00 0.00 O ATOM 0 H GLU A 292 4.588 5.179 7.731 1.00 0.00 H new ATOM 0 HA GLU A 292 5.238 2.411 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 292 6.184 2.962 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 292 4.579 3.404 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 292 3.805 1.195 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 292 5.025 0.668 8.549 1.00 0.00 H new ATOM 599 N GLY A 293 2.840 2.053 6.481 1.00 0.00 N ATOM 600 CA GLY A 293 1.432 1.809 6.226 1.00 0.00 C ATOM 601 C GLY A 293 1.034 0.373 6.503 1.00 0.00 C ATOM 602 O GLY A 293 1.886 -0.512 6.582 1.00 0.00 O ATOM 0 H GLY A 293 3.481 1.520 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 293 0.833 2.475 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 293 1.206 2.052 5.188 1.00 0.00 H new ATOM 606 N LEU A 294 -0.266 0.140 6.653 1.00 0.00 N ATOM 607 CA LEU A 294 -0.777 -1.199 6.926 1.00 0.00 C ATOM 608 C LEU A 294 -1.674 -1.681 5.790 1.00 0.00 C ATOM 609 O LEU A 294 -2.336 -0.882 5.127 1.00 0.00 O ATOM 610 CB LEU A 294 -1.552 -1.212 8.244 1.00 0.00 C ATOM 611 CG LEU A 294 -2.221 -2.536 8.616 1.00 0.00 C ATOM 612 CD1 LEU A 294 -1.206 -3.497 9.215 1.00 0.00 C ATOM 613 CD2 LEU A 294 -3.370 -2.298 9.585 1.00 0.00 C ATOM 0 H LEU A 294 -0.985 0.861 6.590 1.00 0.00 H new ATOM 0 HA LEU A 294 0.073 -1.876 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 294 -0.869 -0.935 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 294 -2.320 -0.440 8.198 1.00 0.00 H new ATOM 0 HG LEU A 294 -2.624 -2.986 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 294 -1.700 -4.434 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 294 -0.417 -3.692 8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 294 -0.773 -3.056 10.112 1.00 0.00 H new ATOM 0 HD21 LEU A 294 -3.835 -3.251 9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 294 -2.990 -1.826 10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 294 -4.109 -1.646 9.120 1.00 0.00 H new ATOM 625 N VAL A 295 -1.693 -2.992 5.573 1.00 0.00 N ATOM 626 CA VAL A 295 -2.512 -3.581 4.521 1.00 0.00 C ATOM 627 C VAL A 295 -3.406 -4.686 5.073 1.00 0.00 C ATOM 628 O VAL A 295 -2.953 -5.806 5.310 1.00 0.00 O ATOM 629 CB VAL A 295 -1.641 -4.158 3.389 1.00 0.00 C ATOM 630 CG1 VAL A 295 -2.514 -4.688 2.261 1.00 0.00 C ATOM 631 CG2 VAL A 295 -0.671 -3.105 2.874 1.00 0.00 C ATOM 0 H VAL A 295 -1.150 -3.667 6.112 1.00 0.00 H new ATOM 0 HA VAL A 295 -3.134 -2.781 4.120 1.00 0.00 H new ATOM 0 HB VAL A 295 -1.060 -4.990 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 295 -1.882 -5.092 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 295 -3.164 -5.475 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 295 -3.123 -3.877 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 295 -0.064 -3.530 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 295 -1.230 -2.252 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 295 -0.023 -2.778 3.687 1.00 0.00 H new ATOM 641 N HIS A 296 -4.680 -4.363 5.275 1.00 0.00 N ATOM 642 CA HIS A 296 -5.639 -5.329 5.799 1.00 0.00 C ATOM 643 C HIS A 296 -5.692 -6.574 4.918 1.00 0.00 C ATOM 644 O HIS A 296 -5.334 -6.529 3.741 1.00 0.00 O ATOM 645 CB HIS A 296 -7.029 -4.698 5.895 1.00 0.00 C ATOM 646 CG HIS A 296 -7.986 -5.485 6.737 1.00 0.00 C ATOM 647 ND1 HIS A 296 -9.007 -6.244 6.206 1.00 0.00 N ATOM 648 CD2 HIS A 296 -8.072 -5.628 8.080 1.00 0.00 C ATOM 649 CE1 HIS A 296 -9.681 -6.819 7.186 1.00 0.00 C ATOM 650 NE2 HIS A 296 -9.134 -6.462 8.333 1.00 0.00 N ATOM 0 H HIS A 296 -5.072 -3.441 5.084 1.00 0.00 H new ATOM 0 HA HIS A 296 -5.313 -5.625 6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 296 -6.936 -3.694 6.308 1.00 0.00 H new ATOM 0 HB3 HIS A 296 -7.442 -4.593 4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 296 -7.426 -5.172 8.816 1.00 0.00 H new ATOM 0 HE1 HIS A 296 -10.534 -7.470 7.069 1.00 0.00 H new ATOM 0 HE2 HIS A 296 -9.449 -6.757 9.257 1.00 0.00 H new ATOM 658 N ILE A 297 -6.140 -7.683 5.497 1.00 0.00 N ATOM 659 CA ILE A 297 -6.240 -8.939 4.765 1.00 0.00 C ATOM 660 C ILE A 297 -7.004 -8.755 3.458 1.00 0.00 C ATOM 661 O ILE A 297 -6.650 -9.336 2.432 1.00 0.00 O ATOM 662 CB ILE A 297 -6.936 -10.027 5.604 1.00 0.00 C ATOM 663 CG1 ILE A 297 -6.947 -11.357 4.848 1.00 0.00 C ATOM 664 CG2 ILE A 297 -8.353 -9.599 5.955 1.00 0.00 C ATOM 665 CD1 ILE A 297 -7.101 -12.563 5.748 1.00 0.00 C ATOM 0 H ILE A 297 -6.439 -7.737 6.471 1.00 0.00 H new ATOM 0 HA ILE A 297 -5.221 -9.257 4.546 1.00 0.00 H new ATOM 0 HB ILE A 297 -6.378 -10.163 6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -7.762 -11.347 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -6.020 -11.452 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -8.832 -10.378 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -8.322 -8.673 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -8.922 -9.439 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -7.100 -13.470 5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -6.272 -12.597 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -8.041 -12.492 6.294 1.00 0.00 H new ATOM 677 N SER A 298 -8.053 -7.940 3.503 1.00 0.00 N ATOM 678 CA SER A 298 -8.870 -7.680 2.323 1.00 0.00 C ATOM 679 C SER A 298 -8.021 -7.113 1.189 1.00 0.00 C ATOM 680 O SER A 298 -8.240 -7.426 0.019 1.00 0.00 O ATOM 681 CB SER A 298 -10.001 -6.707 2.663 1.00 0.00 C ATOM 682 OG SER A 298 -10.926 -6.606 1.595 1.00 0.00 O ATOM 0 H SER A 298 -8.357 -7.448 4.343 1.00 0.00 H new ATOM 0 HA SER A 298 -9.301 -8.626 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 298 -10.516 -7.043 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 298 -9.585 -5.724 2.882 1.00 0.00 H new ATOM 0 HG SER A 298 -11.639 -5.980 1.838 1.00 0.00 H new ATOM 688 N GLU A 299 -7.050 -6.277 1.545 1.00 0.00 N ATOM 689 CA GLU A 299 -6.169 -5.665 0.558 1.00 0.00 C ATOM 690 C GLU A 299 -5.058 -6.629 0.150 1.00 0.00 C ATOM 691 O GLU A 299 -3.895 -6.241 0.035 1.00 0.00 O ATOM 692 CB GLU A 299 -5.561 -4.376 1.114 1.00 0.00 C ATOM 693 CG GLU A 299 -6.569 -3.251 1.282 1.00 0.00 C ATOM 694 CD GLU A 299 -7.229 -3.259 2.647 1.00 0.00 C ATOM 695 OE1 GLU A 299 -8.216 -4.004 2.824 1.00 0.00 O ATOM 696 OE2 GLU A 299 -6.760 -2.521 3.538 1.00 0.00 O ATOM 0 H GLU A 299 -6.854 -6.009 2.509 1.00 0.00 H new ATOM 0 HA GLU A 299 -6.763 -5.427 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 299 -5.101 -4.588 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 299 -4.765 -4.043 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 299 -6.069 -2.294 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 299 -7.335 -3.336 0.511 1.00 0.00 H new ATOM 703 N LEU A 300 -5.425 -7.887 -0.068 1.00 0.00 N ATOM 704 CA LEU A 300 -4.461 -8.908 -0.463 1.00 0.00 C ATOM 705 C LEU A 300 -5.006 -9.758 -1.606 1.00 0.00 C ATOM 706 O LEU A 300 -4.280 -10.101 -2.539 1.00 0.00 O ATOM 707 CB LEU A 300 -4.114 -9.799 0.730 1.00 0.00 C ATOM 708 CG LEU A 300 -3.618 -9.078 1.984 1.00 0.00 C ATOM 709 CD1 LEU A 300 -3.454 -10.060 3.134 1.00 0.00 C ATOM 710 CD2 LEU A 300 -2.306 -8.360 1.703 1.00 0.00 C ATOM 0 H LEU A 300 -6.383 -8.225 0.022 1.00 0.00 H new ATOM 0 HA LEU A 300 -3.557 -8.405 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 300 -4.998 -10.379 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 300 -3.349 -10.509 0.417 1.00 0.00 H new ATOM 0 HG LEU A 300 -4.362 -8.335 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 300 -3.100 -9.529 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 300 -4.414 -10.529 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 300 -2.730 -10.827 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 300 -1.968 -7.853 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 300 -1.554 -9.085 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 300 -2.455 -7.628 0.910 1.00 0.00 H new ATOM 856 N VAL A 309 -3.033 -13.153 6.290 1.00 0.00 N ATOM 857 CA VAL A 309 -1.876 -12.515 5.674 1.00 0.00 C ATOM 858 C VAL A 309 -0.655 -13.426 5.721 1.00 0.00 C ATOM 859 O VAL A 309 0.132 -13.475 4.777 1.00 0.00 O ATOM 860 CB VAL A 309 -1.535 -11.182 6.367 1.00 0.00 C ATOM 861 CG1 VAL A 309 -0.515 -10.402 5.552 1.00 0.00 C ATOM 862 CG2 VAL A 309 -2.795 -10.359 6.587 1.00 0.00 C ATOM 0 HA VAL A 309 -2.139 -12.319 4.635 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.096 -11.400 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -0.287 -9.464 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.397 -10.991 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -0.923 -10.192 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.536 -9.421 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.264 -10.148 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -3.489 -10.917 7.215 1.00 0.00 H new ATOM 872 N ALA A 310 -0.505 -14.148 6.827 1.00 0.00 N ATOM 873 CA ALA A 310 0.619 -15.061 6.996 1.00 0.00 C ATOM 874 C ALA A 310 0.915 -15.813 5.703 1.00 0.00 C ATOM 875 O ALA A 310 2.032 -15.763 5.187 1.00 0.00 O ATOM 876 CB ALA A 310 0.338 -16.040 8.126 1.00 0.00 C ATOM 0 H ALA A 310 -1.147 -14.118 7.619 1.00 0.00 H new ATOM 0 HA ALA A 310 1.499 -14.471 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 310 1.185 -16.716 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 310 0.184 -15.490 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 310 -0.557 -16.617 7.893 1.00 0.00 H new ATOM 882 N ASP A 311 -0.091 -16.509 5.186 1.00 0.00 N ATOM 883 CA ASP A 311 0.062 -17.271 3.952 1.00 0.00 C ATOM 884 C ASP A 311 -0.137 -16.377 2.732 1.00 0.00 C ATOM 885 O ASP A 311 -0.638 -16.822 1.699 1.00 0.00 O ATOM 886 CB ASP A 311 -0.933 -18.432 3.918 1.00 0.00 C ATOM 887 CG ASP A 311 -0.370 -19.697 4.535 1.00 0.00 C ATOM 888 OD1 ASP A 311 -0.146 -19.708 5.763 1.00 0.00 O ATOM 889 OD2 ASP A 311 -0.151 -20.675 3.789 1.00 0.00 O ATOM 0 H ASP A 311 -1.021 -16.561 5.602 1.00 0.00 H new ATOM 0 HA ASP A 311 1.076 -17.671 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 311 -1.840 -18.145 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 311 -1.219 -18.631 2.885 1.00 0.00 H new ATOM 894 N VAL A 312 0.256 -15.114 2.860 1.00 0.00 N ATOM 895 CA VAL A 312 0.121 -14.157 1.768 1.00 0.00 C ATOM 896 C VAL A 312 1.407 -13.363 1.571 1.00 0.00 C ATOM 897 O VAL A 312 1.895 -13.219 0.449 1.00 0.00 O ATOM 898 CB VAL A 312 -1.041 -13.177 2.022 1.00 0.00 C ATOM 899 CG1 VAL A 312 -1.114 -12.138 0.913 1.00 0.00 C ATOM 900 CG2 VAL A 312 -2.356 -13.932 2.145 1.00 0.00 C ATOM 0 H VAL A 312 0.670 -14.729 3.709 1.00 0.00 H new ATOM 0 HA VAL A 312 -0.089 -14.732 0.866 1.00 0.00 H new ATOM 0 HB VAL A 312 -0.858 -12.657 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 312 -1.940 -11.454 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 312 -0.180 -11.577 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 312 -1.274 -12.637 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 312 -3.166 -13.225 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 312 -2.549 -14.479 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 312 -2.296 -14.634 2.977 1.00 0.00 H new ATOM 910 N VAL A 313 1.953 -12.849 2.668 1.00 0.00 N ATOM 911 CA VAL A 313 3.185 -12.070 2.616 1.00 0.00 C ATOM 912 C VAL A 313 4.186 -12.555 3.659 1.00 0.00 C ATOM 913 O VAL A 313 3.804 -13.108 4.690 1.00 0.00 O ATOM 914 CB VAL A 313 2.911 -10.571 2.842 1.00 0.00 C ATOM 915 CG1 VAL A 313 2.021 -10.019 1.739 1.00 0.00 C ATOM 916 CG2 VAL A 313 2.282 -10.344 4.208 1.00 0.00 C ATOM 0 H VAL A 313 1.562 -12.958 3.604 1.00 0.00 H new ATOM 0 HA VAL A 313 3.606 -12.209 1.620 1.00 0.00 H new ATOM 0 HB VAL A 313 3.861 -10.038 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 313 1.838 -8.959 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 313 2.514 -10.147 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 313 1.072 -10.555 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 313 2.095 -9.280 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 313 1.340 -10.889 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 313 2.959 -10.701 4.984 1.00 0.00 H new ATOM 926 N SER A 314 5.468 -12.342 3.383 1.00 0.00 N ATOM 927 CA SER A 314 6.526 -12.761 4.296 1.00 0.00 C ATOM 928 C SER A 314 7.190 -11.552 4.949 1.00 0.00 C ATOM 929 O SER A 314 6.901 -10.407 4.601 1.00 0.00 O ATOM 930 CB SER A 314 7.573 -13.592 3.551 1.00 0.00 C ATOM 931 OG SER A 314 8.527 -12.759 2.915 1.00 0.00 O ATOM 0 H SER A 314 5.800 -11.882 2.535 1.00 0.00 H new ATOM 0 HA SER A 314 6.076 -13.373 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 314 8.077 -14.259 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 314 7.082 -14.221 2.808 1.00 0.00 H new ATOM 0 HG SER A 314 9.186 -13.314 2.447 1.00 0.00 H new ATOM 937 N LYS A 315 8.082 -11.816 5.897 1.00 0.00 N ATOM 938 CA LYS A 315 8.790 -10.752 6.600 1.00 0.00 C ATOM 939 C LYS A 315 10.039 -10.331 5.832 1.00 0.00 C ATOM 940 O LYS A 315 10.941 -11.136 5.606 1.00 0.00 O ATOM 941 CB LYS A 315 9.174 -11.211 8.008 1.00 0.00 C ATOM 942 CG LYS A 315 9.864 -10.136 8.831 1.00 0.00 C ATOM 943 CD LYS A 315 9.688 -10.376 10.321 1.00 0.00 C ATOM 944 CE LYS A 315 10.671 -9.551 11.138 1.00 0.00 C ATOM 945 NZ LYS A 315 10.149 -9.257 12.501 1.00 0.00 N ATOM 0 H LYS A 315 8.332 -12.758 6.197 1.00 0.00 H new ATOM 0 HA LYS A 315 8.124 -9.893 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 315 8.276 -11.538 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 315 9.832 -12.077 7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 315 10.926 -10.116 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 315 9.458 -9.159 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 315 8.669 -10.124 10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 315 9.830 -11.434 10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 315 11.616 -10.088 11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 315 10.879 -8.615 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 315 10.848 -8.693 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 315 9.260 -8.723 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 315 9.974 -10.149 13.006 1.00 0.00 H new ATOM 959 N GLY A 316 10.085 -9.063 5.436 1.00 0.00 N ATOM 960 CA GLY A 316 11.229 -8.557 4.700 1.00 0.00 C ATOM 961 C GLY A 316 11.122 -8.819 3.210 1.00 0.00 C ATOM 962 O GLY A 316 12.135 -8.956 2.524 1.00 0.00 O ATOM 0 H GLY A 316 9.351 -8.377 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 316 11.322 -7.485 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 316 12.138 -9.021 5.083 1.00 0.00 H new ATOM 966 N GLN A 317 9.893 -8.890 2.711 1.00 0.00 N ATOM 967 CA GLN A 317 9.658 -9.140 1.293 1.00 0.00 C ATOM 968 C GLN A 317 9.250 -7.858 0.574 1.00 0.00 C ATOM 969 O GLN A 317 8.370 -7.131 1.034 1.00 0.00 O ATOM 970 CB GLN A 317 8.576 -10.206 1.114 1.00 0.00 C ATOM 971 CG GLN A 317 8.085 -10.340 -0.318 1.00 0.00 C ATOM 972 CD GLN A 317 6.721 -10.995 -0.409 1.00 0.00 C ATOM 973 OE1 GLN A 317 6.613 -12.206 -0.607 1.00 0.00 O ATOM 974 NE2 GLN A 317 5.670 -10.197 -0.264 1.00 0.00 N ATOM 0 H GLN A 317 9.045 -8.778 3.266 1.00 0.00 H new ATOM 0 HA GLN A 317 10.589 -9.500 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 317 8.967 -11.168 1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 317 7.730 -9.965 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 317 8.041 -9.352 -0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 317 8.804 -10.926 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 317 5.806 -9.199 -0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 317 4.727 -10.582 -0.315 1.00 0.00 H new ATOM 983 N ARG A 318 9.896 -7.588 -0.555 1.00 0.00 N ATOM 984 CA ARG A 318 9.602 -6.393 -1.337 1.00 0.00 C ATOM 985 C ARG A 318 8.277 -6.541 -2.079 1.00 0.00 C ATOM 986 O ARG A 318 7.964 -7.609 -2.606 1.00 0.00 O ATOM 987 CB ARG A 318 10.729 -6.119 -2.334 1.00 0.00 C ATOM 988 CG ARG A 318 10.886 -7.202 -3.388 1.00 0.00 C ATOM 989 CD ARG A 318 12.254 -7.143 -4.049 1.00 0.00 C ATOM 990 NE ARG A 318 12.386 -8.123 -5.123 1.00 0.00 N ATOM 991 CZ ARG A 318 13.238 -7.995 -6.134 1.00 0.00 C ATOM 992 NH1 ARG A 318 14.029 -6.933 -6.208 1.00 0.00 N ATOM 993 NH2 ARG A 318 13.300 -8.930 -7.074 1.00 0.00 N ATOM 0 H ARG A 318 10.627 -8.181 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 318 9.522 -5.551 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 318 10.541 -5.166 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 318 11.667 -6.015 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 318 10.744 -8.181 -2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 318 10.110 -7.089 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 318 12.420 -6.143 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 318 13.026 -7.320 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 318 11.791 -8.951 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 318 13.984 -6.212 -5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 318 14.682 -6.837 -6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 318 12.693 -9.748 -7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 318 13.955 -8.831 -7.850 1.00 0.00 H new ATOM 1007 N VAL A 319 7.500 -5.463 -2.115 1.00 0.00 N ATOM 1008 CA VAL A 319 6.209 -5.473 -2.792 1.00 0.00 C ATOM 1009 C VAL A 319 5.845 -4.083 -3.301 1.00 0.00 C ATOM 1010 O VAL A 319 6.442 -3.085 -2.896 1.00 0.00 O ATOM 1011 CB VAL A 319 5.090 -5.976 -1.861 1.00 0.00 C ATOM 1012 CG1 VAL A 319 5.361 -7.408 -1.426 1.00 0.00 C ATOM 1013 CG2 VAL A 319 4.951 -5.061 -0.653 1.00 0.00 C ATOM 0 H VAL A 319 7.742 -4.571 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 319 6.301 -6.154 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 319 4.149 -5.960 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 319 4.560 -7.746 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 319 5.407 -8.052 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 319 6.311 -7.453 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 319 4.156 -5.431 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 319 5.890 -5.043 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 319 4.707 -4.052 -0.987 1.00 0.00 H new ATOM 1023 N LYS A 320 4.861 -4.024 -4.192 1.00 0.00 N ATOM 1024 CA LYS A 320 4.414 -2.756 -4.756 1.00 0.00 C ATOM 1025 C LYS A 320 3.012 -2.406 -4.267 1.00 0.00 C ATOM 1026 O LYS A 320 2.065 -3.165 -4.474 1.00 0.00 O ATOM 1027 CB LYS A 320 4.431 -2.820 -6.285 1.00 0.00 C ATOM 1028 CG LYS A 320 5.793 -3.164 -6.864 1.00 0.00 C ATOM 1029 CD LYS A 320 5.759 -3.205 -8.383 1.00 0.00 C ATOM 1030 CE LYS A 320 7.032 -3.812 -8.953 1.00 0.00 C ATOM 1031 NZ LYS A 320 8.226 -2.973 -8.657 1.00 0.00 N ATOM 0 H LYS A 320 4.358 -4.840 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 320 5.100 -1.977 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 320 3.706 -3.563 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 320 4.108 -1.859 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 320 6.526 -2.427 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 320 6.119 -4.131 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 320 4.898 -3.786 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 320 5.630 -2.195 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 320 7.177 -4.809 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 320 6.928 -3.928 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 320 9.073 -3.420 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 320 8.099 -2.029 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 320 8.340 -2.883 -7.627 1.00 0.00 H new ATOM 1045 N VAL A 321 2.887 -1.253 -3.619 1.00 0.00 N ATOM 1046 CA VAL A 321 1.600 -0.802 -3.103 1.00 0.00 C ATOM 1047 C VAL A 321 1.295 0.622 -3.554 1.00 0.00 C ATOM 1048 O VAL A 321 2.199 1.381 -3.903 1.00 0.00 O ATOM 1049 CB VAL A 321 1.560 -0.860 -1.564 1.00 0.00 C ATOM 1050 CG1 VAL A 321 1.718 -2.294 -1.080 1.00 0.00 C ATOM 1051 CG2 VAL A 321 2.638 0.033 -0.969 1.00 0.00 C ATOM 0 H VAL A 321 3.661 -0.614 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 321 0.845 -1.477 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 321 0.590 -0.493 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 321 1.687 -2.316 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 321 0.907 -2.904 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 321 2.673 -2.691 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 321 2.595 -0.020 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 321 3.617 -0.302 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 321 2.475 1.062 -1.289 1.00 0.00 H new ATOM 1061 N LYS A 322 0.015 0.979 -3.544 1.00 0.00 N ATOM 1062 CA LYS A 322 -0.411 2.312 -3.951 1.00 0.00 C ATOM 1063 C LYS A 322 -1.034 3.065 -2.780 1.00 0.00 C ATOM 1064 O LYS A 322 -1.712 2.474 -1.939 1.00 0.00 O ATOM 1065 CB LYS A 322 -1.414 2.221 -5.104 1.00 0.00 C ATOM 1066 CG LYS A 322 -2.014 3.560 -5.496 1.00 0.00 C ATOM 1067 CD LYS A 322 -3.331 3.386 -6.234 1.00 0.00 C ATOM 1068 CE LYS A 322 -3.109 2.962 -7.677 1.00 0.00 C ATOM 1069 NZ LYS A 322 -2.488 4.048 -8.485 1.00 0.00 N ATOM 0 H LYS A 322 -0.746 0.363 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 322 0.469 2.860 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 322 -0.918 1.787 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 322 -2.218 1.541 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 322 -2.173 4.164 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 322 -1.311 4.104 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 322 -3.939 2.639 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 322 -3.889 4.322 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 322 -2.469 2.080 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 322 -4.062 2.677 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 322 -1.802 3.637 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 322 -3.227 4.551 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 322 -2.000 4.715 -7.853 1.00 0.00 H new ATOM 1083 N VAL A 323 -0.801 4.373 -2.731 1.00 0.00 N ATOM 1084 CA VAL A 323 -1.341 5.207 -1.664 1.00 0.00 C ATOM 1085 C VAL A 323 -2.849 5.379 -1.812 1.00 0.00 C ATOM 1086 O VAL A 323 -3.322 6.028 -2.746 1.00 0.00 O ATOM 1087 CB VAL A 323 -0.676 6.596 -1.646 1.00 0.00 C ATOM 1088 CG1 VAL A 323 -1.270 7.458 -0.543 1.00 0.00 C ATOM 1089 CG2 VAL A 323 0.830 6.463 -1.477 1.00 0.00 C ATOM 0 H VAL A 323 -0.242 4.878 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 323 -1.126 4.698 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 323 -0.870 7.085 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 323 -0.788 8.436 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 323 -2.340 7.581 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 323 -1.109 6.977 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 323 1.284 7.454 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 323 1.047 5.954 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 323 1.239 5.885 -2.306 1.00 0.00 H new ATOM 1099 N LEU A 324 -3.599 4.794 -0.885 1.00 0.00 N ATOM 1100 CA LEU A 324 -5.055 4.883 -0.910 1.00 0.00 C ATOM 1101 C LEU A 324 -5.532 6.183 -0.272 1.00 0.00 C ATOM 1102 O LEU A 324 -6.416 6.858 -0.800 1.00 0.00 O ATOM 1103 CB LEU A 324 -5.671 3.688 -0.182 1.00 0.00 C ATOM 1104 CG LEU A 324 -5.554 2.337 -0.890 1.00 0.00 C ATOM 1105 CD1 LEU A 324 -5.940 1.206 0.051 1.00 0.00 C ATOM 1106 CD2 LEU A 324 -6.421 2.313 -2.140 1.00 0.00 C ATOM 0 H LEU A 324 -3.223 4.253 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 324 -5.377 4.872 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -5.201 3.604 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -6.727 3.896 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 324 -4.516 2.194 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -5.851 0.253 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -5.277 1.210 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -6.969 1.343 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 324 -6.325 1.344 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -7.462 2.478 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 324 -6.097 3.099 -2.822 1.00 0.00 H new ATOM 1118 N SER A 325 -4.941 6.530 0.867 1.00 0.00 N ATOM 1119 CA SER A 325 -5.307 7.749 1.579 1.00 0.00 C ATOM 1120 C SER A 325 -4.217 8.147 2.569 1.00 0.00 C ATOM 1121 O SER A 325 -3.612 7.295 3.221 1.00 0.00 O ATOM 1122 CB SER A 325 -6.634 7.556 2.314 1.00 0.00 C ATOM 1123 OG SER A 325 -7.310 8.791 2.479 1.00 0.00 O ATOM 0 H SER A 325 -4.206 5.984 1.317 1.00 0.00 H new ATOM 0 HA SER A 325 -5.419 8.549 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 325 -7.265 6.864 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 325 -6.451 7.105 3.289 1.00 0.00 H new ATOM 0 HG SER A 325 -8.156 8.640 2.950 1.00 0.00 H new ATOM 1129 N PHE A 326 -3.972 9.449 2.677 1.00 0.00 N ATOM 1130 CA PHE A 326 -2.954 9.962 3.587 1.00 0.00 C ATOM 1131 C PHE A 326 -3.527 11.058 4.481 1.00 0.00 C ATOM 1132 O PHE A 326 -4.108 12.031 3.997 1.00 0.00 O ATOM 1133 CB PHE A 326 -1.761 10.504 2.798 1.00 0.00 C ATOM 1134 CG PHE A 326 -0.986 11.560 3.533 1.00 0.00 C ATOM 1135 CD1 PHE A 326 -0.069 11.211 4.511 1.00 0.00 C ATOM 1136 CD2 PHE A 326 -1.175 12.903 3.246 1.00 0.00 C ATOM 1137 CE1 PHE A 326 0.646 12.181 5.189 1.00 0.00 C ATOM 1138 CE2 PHE A 326 -0.463 13.877 3.920 1.00 0.00 C ATOM 1139 CZ PHE A 326 0.448 13.515 4.894 1.00 0.00 C ATOM 0 H PHE A 326 -4.464 10.168 2.146 1.00 0.00 H new ATOM 0 HA PHE A 326 -2.619 9.139 4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 326 -1.093 9.679 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 326 -2.117 10.917 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 326 0.089 10.169 4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 326 -1.887 13.191 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 326 1.359 11.895 5.949 1.00 0.00 H new ATOM 0 HE2 PHE A 326 -0.618 14.920 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 326 1.004 14.274 5.424 1.00 0.00 H new ATOM 1149 N THR A 327 -3.360 10.895 5.789 1.00 0.00 N ATOM 1150 CA THR A 327 -3.861 11.867 6.752 1.00 0.00 C ATOM 1151 C THR A 327 -2.890 12.042 7.914 1.00 0.00 C ATOM 1152 O THR A 327 -2.721 11.141 8.735 1.00 0.00 O ATOM 1153 CB THR A 327 -5.237 11.452 7.306 1.00 0.00 C ATOM 1154 OG1 THR A 327 -5.097 10.315 8.164 1.00 0.00 O ATOM 1155 CG2 THR A 327 -6.199 11.125 6.174 1.00 0.00 C ATOM 0 H THR A 327 -2.881 10.097 6.206 1.00 0.00 H new ATOM 0 HA THR A 327 -3.962 12.814 6.221 1.00 0.00 H new ATOM 0 HB THR A 327 -5.642 12.288 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 327 -4.410 10.497 8.839 1.00 0.00 H new ATOM 0 HG21 THR A 327 -7.164 10.835 6.589 1.00 0.00 H new ATOM 0 HG22 THR A 327 -6.326 12.002 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 327 -5.797 10.304 5.581 1.00 0.00 H new ATOM 1163 N GLY A 328 -2.253 13.208 7.978 1.00 0.00 N ATOM 1164 CA GLY A 328 -1.307 13.479 9.044 1.00 0.00 C ATOM 1165 C GLY A 328 -0.244 12.405 9.162 1.00 0.00 C ATOM 1166 O GLY A 328 0.684 12.346 8.355 1.00 0.00 O ATOM 0 H GLY A 328 -2.376 13.969 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 328 -0.828 14.442 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 328 -1.843 13.561 9.989 1.00 0.00 H new ATOM 1170 N THR A 329 -0.377 11.552 10.174 1.00 0.00 N ATOM 1171 CA THR A 329 0.581 10.476 10.397 1.00 0.00 C ATOM 1172 C THR A 329 0.002 9.129 9.982 1.00 0.00 C ATOM 1173 O THR A 329 0.328 8.095 10.565 1.00 0.00 O ATOM 1174 CB THR A 329 1.010 10.405 11.875 1.00 0.00 C ATOM 1175 OG1 THR A 329 1.317 11.716 12.360 1.00 0.00 O ATOM 1176 CG2 THR A 329 2.222 9.500 12.043 1.00 0.00 C ATOM 0 H THR A 329 -1.139 11.586 10.852 1.00 0.00 H new ATOM 0 HA THR A 329 1.454 10.697 9.783 1.00 0.00 H new ATOM 0 HB THR A 329 0.183 9.990 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 329 1.587 11.662 13.301 1.00 0.00 H new ATOM 0 HG21 THR A 329 2.507 9.465 13.094 1.00 0.00 H new ATOM 0 HG22 THR A 329 1.976 8.495 11.700 1.00 0.00 H new ATOM 0 HG23 THR A 329 3.052 9.891 11.455 1.00 0.00 H new ATOM 1184 N LYS A 330 -0.859 9.147 8.970 1.00 0.00 N ATOM 1185 CA LYS A 330 -1.483 7.926 8.474 1.00 0.00 C ATOM 1186 C LYS A 330 -1.214 7.744 6.984 1.00 0.00 C ATOM 1187 O LYS A 330 -1.446 8.651 6.185 1.00 0.00 O ATOM 1188 CB LYS A 330 -2.991 7.959 8.731 1.00 0.00 C ATOM 1189 CG LYS A 330 -3.382 7.498 10.125 1.00 0.00 C ATOM 1190 CD LYS A 330 -3.247 5.991 10.272 1.00 0.00 C ATOM 1191 CE LYS A 330 -3.702 5.523 11.645 1.00 0.00 C ATOM 1192 NZ LYS A 330 -5.183 5.582 11.789 1.00 0.00 N ATOM 0 H LYS A 330 -1.141 9.994 8.477 1.00 0.00 H new ATOM 0 HA LYS A 330 -1.048 7.082 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 330 -3.355 8.975 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 330 -3.490 7.328 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 330 -2.752 7.994 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 330 -4.410 7.794 10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 330 -3.839 5.495 9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 330 -2.209 5.700 10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 330 -3.361 4.501 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 330 -3.238 6.143 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 -5.460 5.161 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 -5.496 6.573 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 -5.629 5.053 11.012 1.00 0.00 H new ATOM 1206 N THR A 331 -0.725 6.564 6.615 1.00 0.00 N ATOM 1207 CA THR A 331 -0.425 6.263 5.221 1.00 0.00 C ATOM 1208 C THR A 331 -0.957 4.889 4.829 1.00 0.00 C ATOM 1209 O THR A 331 -0.399 3.863 5.216 1.00 0.00 O ATOM 1210 CB THR A 331 1.090 6.310 4.950 1.00 0.00 C ATOM 1211 OG1 THR A 331 1.649 7.509 5.499 1.00 0.00 O ATOM 1212 CG2 THR A 331 1.375 6.250 3.456 1.00 0.00 C ATOM 0 H THR A 331 -0.528 5.801 7.263 1.00 0.00 H new ATOM 0 HA THR A 331 -0.918 7.026 4.619 1.00 0.00 H new ATOM 0 HB THR A 331 1.549 5.444 5.427 1.00 0.00 H new ATOM 0 HG1 THR A 331 2.515 7.307 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 331 2.452 6.285 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 331 0.974 5.323 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 331 0.904 7.099 2.961 1.00 0.00 H new ATOM 1220 N SER A 332 -2.039 4.877 4.057 1.00 0.00 N ATOM 1221 CA SER A 332 -2.649 3.629 3.614 1.00 0.00 C ATOM 1222 C SER A 332 -1.904 3.057 2.412 1.00 0.00 C ATOM 1223 O SER A 332 -1.228 3.784 1.682 1.00 0.00 O ATOM 1224 CB SER A 332 -4.120 3.852 3.258 1.00 0.00 C ATOM 1225 OG SER A 332 -4.807 2.620 3.130 1.00 0.00 O ATOM 0 H SER A 332 -2.511 5.718 3.725 1.00 0.00 H new ATOM 0 HA SER A 332 -2.586 2.913 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.596 4.459 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.191 4.410 2.324 1.00 0.00 H new ATOM 0 HG SER A 332 -5.745 2.791 2.904 1.00 0.00 H new ATOM 1231 N LEU A 333 -2.032 1.750 2.211 1.00 0.00 N ATOM 1232 CA LEU A 333 -1.372 1.079 1.097 1.00 0.00 C ATOM 1233 C LEU A 333 -2.206 -0.097 0.599 1.00 0.00 C ATOM 1234 O LEU A 333 -2.728 -0.881 1.392 1.00 0.00 O ATOM 1235 CB LEU A 333 0.016 0.592 1.519 1.00 0.00 C ATOM 1236 CG LEU A 333 0.953 1.655 2.094 1.00 0.00 C ATOM 1237 CD1 LEU A 333 2.233 1.015 2.609 1.00 0.00 C ATOM 1238 CD2 LEU A 333 1.267 2.712 1.046 1.00 0.00 C ATOM 0 H LEU A 333 -2.587 1.134 2.805 1.00 0.00 H new ATOM 0 HA LEU A 333 -1.267 1.797 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.108 -0.196 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 333 0.500 0.140 0.653 1.00 0.00 H new ATOM 0 HG LEU A 333 0.451 2.140 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 333 2.888 1.786 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 333 1.991 0.296 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 333 2.739 0.503 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.935 3.460 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 333 1.749 2.242 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.343 3.192 0.725 1.00 0.00 H new ATOM 1250 N SER A 334 -2.324 -0.216 -0.720 1.00 0.00 N ATOM 1251 CA SER A 334 -3.095 -1.296 -1.324 1.00 0.00 C ATOM 1252 C SER A 334 -2.197 -2.205 -2.157 1.00 0.00 C ATOM 1253 O SER A 334 -1.337 -1.734 -2.901 1.00 0.00 O ATOM 1254 CB SER A 334 -4.213 -0.725 -2.199 1.00 0.00 C ATOM 1255 OG SER A 334 -5.169 -1.720 -2.519 1.00 0.00 O ATOM 0 H SER A 334 -1.895 0.422 -1.390 1.00 0.00 H new ATOM 0 HA SER A 334 -3.536 -1.887 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 334 -4.701 0.099 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 334 -3.788 -0.316 -3.116 1.00 0.00 H new ATOM 0 HG SER A 334 -5.873 -1.329 -3.077 1.00 0.00 H new ATOM 1261 N MET A 335 -2.403 -3.511 -2.025 1.00 0.00 N ATOM 1262 CA MET A 335 -1.613 -4.488 -2.766 1.00 0.00 C ATOM 1263 C MET A 335 -2.347 -4.938 -4.025 1.00 0.00 C ATOM 1264 O MET A 335 -1.770 -4.974 -5.113 1.00 0.00 O ATOM 1265 CB MET A 335 -1.300 -5.698 -1.884 1.00 0.00 C ATOM 1266 CG MET A 335 -0.144 -5.468 -0.924 1.00 0.00 C ATOM 1267 SD MET A 335 0.495 -7.002 -0.226 1.00 0.00 S ATOM 1268 CE MET A 335 1.183 -7.779 -1.686 1.00 0.00 C ATOM 0 H MET A 335 -3.110 -3.917 -1.412 1.00 0.00 H new ATOM 0 HA MET A 335 -0.678 -4.012 -3.062 1.00 0.00 H new ATOM 0 HB2 MET A 335 -2.190 -5.960 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 335 -1.068 -6.551 -2.521 1.00 0.00 H new ATOM 0 HG2 MET A 335 0.659 -4.949 -1.447 1.00 0.00 H new ATOM 0 HG3 MET A 335 -0.473 -4.815 -0.116 1.00 0.00 H new ATOM 0 HE1 MET A 335 2.203 -8.103 -1.479 1.00 0.00 H new ATOM 0 HE2 MET A 335 0.576 -8.642 -1.959 1.00 0.00 H new ATOM 0 HE3 MET A 335 1.189 -7.065 -2.510 1.00 0.00 H new ATOM 1278 N LYS A 336 -3.621 -5.282 -3.871 1.00 0.00 N ATOM 1279 CA LYS A 336 -4.434 -5.729 -4.996 1.00 0.00 C ATOM 1280 C LYS A 336 -4.362 -4.734 -6.150 1.00 0.00 C ATOM 1281 O LYS A 336 -3.812 -5.037 -7.209 1.00 0.00 O ATOM 1282 CB LYS A 336 -5.889 -5.913 -4.558 1.00 0.00 C ATOM 1283 CG LYS A 336 -6.044 -6.748 -3.298 1.00 0.00 C ATOM 1284 CD LYS A 336 -7.465 -7.263 -3.142 1.00 0.00 C ATOM 1285 CE LYS A 336 -8.404 -6.170 -2.655 1.00 0.00 C ATOM 1286 NZ LYS A 336 -9.000 -5.405 -3.785 1.00 0.00 N ATOM 0 H LYS A 336 -4.113 -5.260 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 336 -4.040 -6.685 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -6.336 -4.933 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -6.446 -6.385 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.352 -7.590 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -5.776 -6.149 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -7.820 -7.650 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -7.476 -8.095 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -9.200 -6.615 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.859 -5.488 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -8.808 -4.391 -3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -8.581 -5.726 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -10.028 -5.563 -3.807 1.00 0.00 H new ATOM 1300 N ASP A 337 -4.918 -3.547 -5.937 1.00 0.00 N ATOM 1301 CA ASP A 337 -4.914 -2.506 -6.959 1.00 0.00 C ATOM 1302 C ASP A 337 -3.596 -2.504 -7.727 1.00 0.00 C ATOM 1303 O ASP A 337 -3.580 -2.404 -8.953 1.00 0.00 O ATOM 1304 CB ASP A 337 -5.150 -1.136 -6.323 1.00 0.00 C ATOM 1305 CG ASP A 337 -6.603 -0.914 -5.948 1.00 0.00 C ATOM 1306 OD1 ASP A 337 -7.336 -1.914 -5.797 1.00 0.00 O ATOM 1307 OD2 ASP A 337 -7.006 0.259 -5.806 1.00 0.00 O ATOM 0 H ASP A 337 -5.377 -3.281 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 337 -5.722 -2.716 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 337 -4.529 -1.040 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -4.834 -0.357 -7.017 1.00 0.00 H new ATOM 1312 N VAL A 338 -2.491 -2.614 -6.996 1.00 0.00 N ATOM 1313 CA VAL A 338 -1.167 -2.624 -7.607 1.00 0.00 C ATOM 1314 C VAL A 338 -0.781 -4.029 -8.056 1.00 0.00 C ATOM 1315 O VAL A 338 -0.670 -4.944 -7.240 1.00 0.00 O ATOM 1316 CB VAL A 338 -0.096 -2.094 -6.636 1.00 0.00 C ATOM 1317 CG1 VAL A 338 1.282 -2.152 -7.278 1.00 0.00 C ATOM 1318 CG2 VAL A 338 -0.430 -0.677 -6.196 1.00 0.00 C ATOM 0 H VAL A 338 -2.487 -2.697 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 338 -1.214 -1.968 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 338 -0.085 -2.731 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 338 2.026 -1.773 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 338 1.519 -3.184 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 338 1.289 -1.540 -8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 338 0.338 -0.319 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 338 -0.470 -0.025 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 338 -1.397 -0.671 -5.694 1.00 0.00 H new ATOM 1328 N ASP A 339 -0.575 -4.192 -9.358 1.00 0.00 N ATOM 1329 CA ASP A 339 -0.199 -5.486 -9.917 1.00 0.00 C ATOM 1330 C ASP A 339 1.188 -5.902 -9.438 1.00 0.00 C ATOM 1331 O ASP A 339 2.154 -5.152 -9.579 1.00 0.00 O ATOM 1332 CB ASP A 339 -0.230 -5.434 -11.445 1.00 0.00 C ATOM 1333 CG ASP A 339 -0.567 -6.777 -12.063 1.00 0.00 C ATOM 1334 OD1 ASP A 339 -1.609 -7.357 -11.692 1.00 0.00 O ATOM 1335 OD2 ASP A 339 0.211 -7.247 -12.919 1.00 0.00 O ATOM 0 H ASP A 339 -0.662 -3.444 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 339 -0.920 -6.227 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -0.964 -4.695 -11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 339 0.740 -5.100 -11.814 1.00 0.00 H new ATOM 1340 N GLN A 340 1.278 -7.100 -8.870 1.00 0.00 N ATOM 1341 CA GLN A 340 2.547 -7.614 -8.368 1.00 0.00 C ATOM 1342 C GLN A 340 3.361 -8.246 -9.493 1.00 0.00 C ATOM 1343 O GLN A 340 4.038 -9.254 -9.290 1.00 0.00 O ATOM 1344 CB GLN A 340 2.304 -8.639 -7.260 1.00 0.00 C ATOM 1345 CG GLN A 340 1.569 -8.072 -6.056 1.00 0.00 C ATOM 1346 CD GLN A 340 2.338 -6.956 -5.376 1.00 0.00 C ATOM 1347 OE1 GLN A 340 3.460 -7.154 -4.910 1.00 0.00 O ATOM 1348 NE2 GLN A 340 1.736 -5.774 -5.315 1.00 0.00 N ATOM 0 H GLN A 340 0.488 -7.733 -8.746 1.00 0.00 H new ATOM 0 HA GLN A 340 3.114 -6.777 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 340 1.730 -9.472 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 340 3.262 -9.042 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 340 0.596 -7.697 -6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 340 1.385 -8.871 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 340 0.805 -5.655 -5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.204 -4.986 -4.869 1.00 0.00 H new ATOM 1357 N GLU A 341 3.290 -7.647 -10.677 1.00 0.00 N ATOM 1358 CA GLU A 341 4.020 -8.153 -11.834 1.00 0.00 C ATOM 1359 C GLU A 341 4.831 -7.042 -12.494 1.00 0.00 C ATOM 1360 O GLU A 341 5.955 -7.263 -12.946 1.00 0.00 O ATOM 1361 CB GLU A 341 3.051 -8.765 -12.848 1.00 0.00 C ATOM 1362 CG GLU A 341 3.743 -9.501 -13.983 1.00 0.00 C ATOM 1363 CD GLU A 341 4.817 -10.452 -13.493 1.00 0.00 C ATOM 1364 OE1 GLU A 341 4.515 -11.281 -12.608 1.00 0.00 O ATOM 1365 OE2 GLU A 341 5.958 -10.369 -13.992 1.00 0.00 O ATOM 0 H GLU A 341 2.735 -6.811 -10.861 1.00 0.00 H new ATOM 0 HA GLU A 341 4.708 -8.925 -11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 341 2.385 -9.456 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 341 2.428 -7.974 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 341 3.001 -10.060 -14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 341 4.189 -8.775 -14.663 1.00 0.00 H new ATOM 1372 N THR A 342 4.253 -5.847 -12.547 1.00 0.00 N ATOM 1373 CA THR A 342 4.920 -4.701 -13.153 1.00 0.00 C ATOM 1374 C THR A 342 4.790 -3.462 -12.275 1.00 0.00 C ATOM 1375 O THR A 342 5.746 -2.705 -12.109 1.00 0.00 O ATOM 1376 CB THR A 342 4.345 -4.390 -14.548 1.00 0.00 C ATOM 1377 OG1 THR A 342 2.991 -3.939 -14.431 1.00 0.00 O ATOM 1378 CG2 THR A 342 4.400 -5.620 -15.442 1.00 0.00 C ATOM 0 H THR A 342 3.324 -5.647 -12.177 1.00 0.00 H new ATOM 0 HA THR A 342 5.973 -4.964 -13.252 1.00 0.00 H new ATOM 0 HB THR A 342 4.951 -3.604 -15.000 1.00 0.00 H new ATOM 0 HG1 THR A 342 2.634 -3.742 -15.322 1.00 0.00 H new ATOM 0 HG21 THR A 342 3.989 -5.376 -16.422 1.00 0.00 H new ATOM 0 HG22 THR A 342 5.435 -5.943 -15.553 1.00 0.00 H new ATOM 0 HG23 THR A 342 3.816 -6.423 -14.993 1.00 0.00 H new ATOM 1386 N GLY A 343 3.602 -3.261 -11.714 1.00 0.00 N ATOM 1387 CA GLY A 343 3.370 -2.111 -10.859 1.00 0.00 C ATOM 1388 C GLY A 343 2.466 -1.081 -11.505 1.00 0.00 C ATOM 1389 O GLY A 343 2.622 0.119 -11.280 1.00 0.00 O ATOM 0 H GLY A 343 2.796 -3.874 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 343 2.925 -2.443 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 343 4.325 -1.647 -10.612 1.00 0.00 H new ATOM 1393 N GLU A 344 1.518 -1.550 -12.312 1.00 0.00 N ATOM 1394 CA GLU A 344 0.588 -0.659 -12.994 1.00 0.00 C ATOM 1395 C GLU A 344 -0.648 -0.402 -12.137 1.00 0.00 C ATOM 1396 O GLU A 344 -0.891 -1.102 -11.154 1.00 0.00 O ATOM 1397 CB GLU A 344 0.172 -1.254 -14.341 1.00 0.00 C ATOM 1398 CG GLU A 344 1.090 -0.864 -15.488 1.00 0.00 C ATOM 1399 CD GLU A 344 0.861 -1.704 -16.730 1.00 0.00 C ATOM 1400 OE1 GLU A 344 0.447 -2.873 -16.586 1.00 0.00 O ATOM 1401 OE2 GLU A 344 1.096 -1.192 -17.844 1.00 0.00 O ATOM 0 H GLU A 344 1.375 -2.541 -12.509 1.00 0.00 H new ATOM 0 HA GLU A 344 1.095 0.291 -13.165 1.00 0.00 H new ATOM 0 HB2 GLU A 344 0.150 -2.341 -14.258 1.00 0.00 H new ATOM 0 HB3 GLU A 344 -0.843 -0.932 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 344 0.935 0.187 -15.731 1.00 0.00 H new ATOM 0 HG3 GLU A 344 2.127 -0.968 -15.170 1.00 0.00 H new ATOM 1408 N ASP A 345 -1.425 0.606 -12.516 1.00 0.00 N ATOM 1409 CA ASP A 345 -2.636 0.956 -11.783 1.00 0.00 C ATOM 1410 C ASP A 345 -3.830 0.155 -12.292 1.00 0.00 C ATOM 1411 O ASP A 345 -4.435 0.499 -13.308 1.00 0.00 O ATOM 1412 CB ASP A 345 -2.920 2.454 -11.910 1.00 0.00 C ATOM 1413 CG ASP A 345 -4.400 2.772 -11.826 1.00 0.00 C ATOM 1414 OD1 ASP A 345 -5.080 2.205 -10.945 1.00 0.00 O ATOM 1415 OD2 ASP A 345 -4.879 3.586 -12.643 1.00 0.00 O ATOM 0 H ASP A 345 -1.238 1.196 -13.327 1.00 0.00 H new ATOM 0 HA ASP A 345 -2.478 0.712 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -2.391 2.989 -11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -2.527 2.816 -12.860 1.00 0.00 H new