USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 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 Set 1.1: A 335 MET CE :methyl -130:sc= -0.803 (180deg=-0.323) USER MOD Set 1.2: A 340 GLN : amide:sc= -0.208 K(o=-1,f=-5.1!) USER MOD Set 2.1: A 269 ASN : amide:sc= 0.207 K(o=0.41,f=-0.13) USER MOD Set 2.2: A 320 LYS NZ :NH3+ -127:sc= 0.208 (180deg=-0.0141) USER MOD Set 3.1: A 296 HIS : no HD1:sc= 0.304 K(o=0.3,f=-5.6!) USER MOD Set 3.2: A 298 SER OG : rot 180:sc=-0.00626 USER MOD Single : A 263 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 271 LYS NZ :NH3+ 154:sc= -0.748 (180deg=-2.29!) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 29:sc= 0.0301 USER MOD Single : A 276 MET CE :methyl -160:sc= -7.45! (180deg=-9.93!) USER MOD Single : A 277 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.38) USER MOD Single : A 280 CYS SG : rot 25:sc= 0.161 USER MOD Single : A 283 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 289 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 315 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 GLN :FLIP amide:sc= -1.33 F(o=-1.9,f=-1.3) USER MOD Single : A 322 LYS NZ :NH3+ -132:sc= -0.675 (180deg=-3.35!) USER MOD Single : A 325 SER OG : rot 180:sc= 0 USER MOD Single : A 327 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 THR OG1 : rot -56:sc= 1.13 USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 THR OG1 : rot 155:sc= 0.213 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 SER OG : rot 115:sc= 0.677 USER MOD Single : A 336 LYS NZ :NH3+ -135:sc= 0.0089 (180deg=0) USER MOD Single : A 342 THR OG1 : rot 180:sc=-0.00368 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 260 9.013 14.300 -0.173 1.00 0.00 N ATOM 67 CA GLU A 260 8.876 13.933 1.231 1.00 0.00 C ATOM 68 C GLU A 260 7.527 13.268 1.491 1.00 0.00 C ATOM 69 O GLU A 260 7.462 12.162 2.026 1.00 0.00 O ATOM 70 CB GLU A 260 9.027 15.169 2.121 1.00 0.00 C ATOM 71 CG GLU A 260 8.728 14.904 3.587 1.00 0.00 C ATOM 72 CD GLU A 260 7.252 14.678 3.850 1.00 0.00 C ATOM 73 OE1 GLU A 260 6.503 15.674 3.925 1.00 0.00 O ATOM 74 OE2 GLU A 260 6.846 13.504 3.981 1.00 0.00 O ATOM 0 HA GLU A 260 9.665 13.221 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 260 10.044 15.550 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 260 8.360 15.951 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 260 9.290 14.030 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 260 9.074 15.748 4.183 1.00 0.00 H new ATOM 81 N GLU A 261 6.453 13.952 1.108 1.00 0.00 N ATOM 82 CA GLU A 261 5.106 13.428 1.300 1.00 0.00 C ATOM 83 C GLU A 261 4.632 12.677 0.059 1.00 0.00 C ATOM 84 O GLU A 261 4.755 13.152 -1.070 1.00 0.00 O ATOM 85 CB GLU A 261 4.134 14.564 1.624 1.00 0.00 C ATOM 86 CG GLU A 261 2.969 14.137 2.500 1.00 0.00 C ATOM 87 CD GLU A 261 1.929 15.229 2.661 1.00 0.00 C ATOM 88 OE1 GLU A 261 1.017 15.309 1.811 1.00 0.00 O ATOM 89 OE2 GLU A 261 2.027 16.004 3.635 1.00 0.00 O ATOM 0 H GLU A 261 6.490 14.869 0.663 1.00 0.00 H new ATOM 0 HA GLU A 261 5.131 12.731 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 261 4.679 15.365 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 261 3.745 14.975 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 261 2.499 13.254 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 261 3.344 13.850 3.482 1.00 0.00 H new ATOM 96 N PRO A 262 4.077 11.474 0.272 1.00 0.00 N ATOM 97 CA PRO A 262 3.574 10.631 -0.816 1.00 0.00 C ATOM 98 C PRO A 262 2.317 11.205 -1.461 1.00 0.00 C ATOM 99 O PRO A 262 1.436 11.725 -0.774 1.00 0.00 O ATOM 100 CB PRO A 262 3.259 9.304 -0.121 1.00 0.00 C ATOM 101 CG PRO A 262 3.004 9.672 1.300 1.00 0.00 C ATOM 102 CD PRO A 262 3.899 10.845 1.591 1.00 0.00 C ATOM 0 HA PRO A 262 4.295 10.542 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 262 2.390 8.820 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 262 4.091 8.605 -0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 262 1.957 9.933 1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 262 3.226 8.837 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 262 3.443 11.531 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 262 4.851 10.528 2.017 1.00 0.00 H new ATOM 110 N THR A 263 2.238 11.109 -2.784 1.00 0.00 N ATOM 111 CA THR A 263 1.089 11.619 -3.521 1.00 0.00 C ATOM 112 C THR A 263 -0.045 10.601 -3.546 1.00 0.00 C ATOM 113 O THR A 263 0.189 9.402 -3.701 1.00 0.00 O ATOM 114 CB THR A 263 1.468 11.985 -4.969 1.00 0.00 C ATOM 115 OG1 THR A 263 2.539 12.935 -4.970 1.00 0.00 O ATOM 116 CG2 THR A 263 0.272 12.561 -5.712 1.00 0.00 C ATOM 0 H THR A 263 2.957 10.682 -3.368 1.00 0.00 H new ATOM 0 HA THR A 263 0.755 12.518 -3.002 1.00 0.00 H new ATOM 0 HB THR A 263 1.789 11.076 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 263 2.775 13.161 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 263 0.564 12.812 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 263 -0.531 11.824 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 263 -0.075 13.460 -5.202 1.00 0.00 H new ATOM 124 N ILE A 264 -1.272 11.085 -3.394 1.00 0.00 N ATOM 125 CA ILE A 264 -2.443 10.216 -3.401 1.00 0.00 C ATOM 126 C ILE A 264 -2.776 9.755 -4.816 1.00 0.00 C ATOM 127 O ILE A 264 -2.696 10.530 -5.768 1.00 0.00 O ATOM 128 CB ILE A 264 -3.672 10.923 -2.801 1.00 0.00 C ATOM 129 CG1 ILE A 264 -3.414 11.287 -1.337 1.00 0.00 C ATOM 130 CG2 ILE A 264 -4.904 10.038 -2.923 1.00 0.00 C ATOM 131 CD1 ILE A 264 -4.428 12.255 -0.768 1.00 0.00 C ATOM 0 H ILE A 264 -1.482 12.075 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.197 9.349 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 264 -3.852 11.842 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.417 10.376 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.419 11.722 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -5.765 10.551 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -5.096 9.824 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -4.735 9.104 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.183 12.468 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -4.409 13.181 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -5.423 11.814 -0.824 1.00 0.00 H new ATOM 143 N GLY A 265 -3.151 8.486 -4.945 1.00 0.00 N ATOM 144 CA GLY A 265 -3.492 7.943 -6.247 1.00 0.00 C ATOM 145 C GLY A 265 -2.284 7.400 -6.984 1.00 0.00 C ATOM 146 O GLY A 265 -2.424 6.674 -7.969 1.00 0.00 O ATOM 0 H GLY A 265 -3.225 7.825 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -4.227 7.147 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -3.962 8.720 -6.849 1.00 0.00 H new ATOM 150 N ASP A 266 -1.095 7.753 -6.508 1.00 0.00 N ATOM 151 CA ASP A 266 0.143 7.297 -7.129 1.00 0.00 C ATOM 152 C ASP A 266 0.619 5.992 -6.498 1.00 0.00 C ATOM 153 O ASP A 266 0.316 5.705 -5.340 1.00 0.00 O ATOM 154 CB ASP A 266 1.228 8.367 -6.998 1.00 0.00 C ATOM 155 CG ASP A 266 1.235 9.331 -8.168 1.00 0.00 C ATOM 156 OD1 ASP A 266 0.407 10.266 -8.170 1.00 0.00 O ATOM 157 OD2 ASP A 266 2.067 9.151 -9.081 1.00 0.00 O ATOM 0 H ASP A 266 -0.962 8.353 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 266 -0.054 7.118 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 266 1.075 8.924 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 266 2.203 7.885 -6.923 1.00 0.00 H new ATOM 162 N ILE A 267 1.364 5.206 -7.268 1.00 0.00 N ATOM 163 CA ILE A 267 1.881 3.932 -6.784 1.00 0.00 C ATOM 164 C ILE A 267 3.295 4.086 -6.234 1.00 0.00 C ATOM 165 O ILE A 267 4.134 4.761 -6.831 1.00 0.00 O ATOM 166 CB ILE A 267 1.888 2.868 -7.898 1.00 0.00 C ATOM 167 CG1 ILE A 267 0.473 2.657 -8.441 1.00 0.00 C ATOM 168 CG2 ILE A 267 2.462 1.559 -7.376 1.00 0.00 C ATOM 169 CD1 ILE A 267 0.417 1.735 -9.639 1.00 0.00 C ATOM 0 H ILE A 267 1.623 5.429 -8.229 1.00 0.00 H new ATOM 0 HA ILE A 267 1.217 3.605 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 267 2.520 3.220 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -0.154 2.249 -7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 267 0.050 3.623 -8.716 1.00 0.00 H new ATOM 0 HG21 ILE A 267 2.460 0.817 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE A 267 3.484 1.721 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 267 1.853 1.200 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -0.616 1.631 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 267 1.017 2.152 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 267 0.809 0.756 -9.363 1.00 0.00 H new ATOM 181 N TYR A 268 3.552 3.453 -5.095 1.00 0.00 N ATOM 182 CA TYR A 268 4.865 3.520 -4.464 1.00 0.00 C ATOM 183 C TYR A 268 5.358 2.127 -4.083 1.00 0.00 C ATOM 184 O TYR A 268 4.572 1.186 -3.978 1.00 0.00 O ATOM 185 CB TYR A 268 4.812 4.411 -3.222 1.00 0.00 C ATOM 186 CG TYR A 268 4.636 5.880 -3.538 1.00 0.00 C ATOM 187 CD1 TYR A 268 3.472 6.348 -4.135 1.00 0.00 C ATOM 188 CD2 TYR A 268 5.634 6.799 -3.238 1.00 0.00 C ATOM 189 CE1 TYR A 268 3.308 7.688 -4.425 1.00 0.00 C ATOM 190 CE2 TYR A 268 5.478 8.141 -3.524 1.00 0.00 C ATOM 191 CZ TYR A 268 4.313 8.581 -4.118 1.00 0.00 C ATOM 192 OH TYR A 268 4.153 9.917 -4.405 1.00 0.00 O ATOM 0 H TYR A 268 2.869 2.888 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 268 5.564 3.949 -5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 268 3.990 4.084 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 268 5.731 4.278 -2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 268 2.682 5.652 -4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 268 6.547 6.458 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 268 2.397 8.035 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 268 6.264 8.842 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 268 4.952 10.410 -4.125 1.00 0.00 H new ATOM 202 N ASN A 269 6.665 2.005 -3.877 1.00 0.00 N ATOM 203 CA ASN A 269 7.264 0.728 -3.507 1.00 0.00 C ATOM 204 C ASN A 269 7.366 0.593 -1.991 1.00 0.00 C ATOM 205 O ASN A 269 7.695 1.551 -1.293 1.00 0.00 O ATOM 206 CB ASN A 269 8.652 0.591 -4.137 1.00 0.00 C ATOM 207 CG ASN A 269 8.645 0.890 -5.624 1.00 0.00 C ATOM 208 OD1 ASN A 269 8.226 0.062 -6.433 1.00 0.00 O ATOM 209 ND2 ASN A 269 9.109 2.079 -5.990 1.00 0.00 N ATOM 0 H ASN A 269 7.329 2.774 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 269 6.621 -0.068 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 269 9.344 1.269 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 269 9.023 -0.421 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 269 9.128 2.337 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 269 9.446 2.734 -5.285 1.00 0.00 H new ATOM 216 N GLY A 270 7.082 -0.605 -1.488 1.00 0.00 N ATOM 217 CA GLY A 270 7.147 -0.843 -0.058 1.00 0.00 C ATOM 218 C GLY A 270 7.629 -2.242 0.274 1.00 0.00 C ATOM 219 O GLY A 270 7.811 -3.072 -0.616 1.00 0.00 O ATOM 0 H GLY A 270 6.808 -1.414 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 270 7.816 -0.113 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 270 6.160 -0.688 0.379 1.00 0.00 H new ATOM 223 N LYS A 271 7.837 -2.504 1.560 1.00 0.00 N ATOM 224 CA LYS A 271 8.301 -3.811 2.010 1.00 0.00 C ATOM 225 C LYS A 271 7.627 -4.206 3.319 1.00 0.00 C ATOM 226 O LYS A 271 7.386 -3.364 4.184 1.00 0.00 O ATOM 227 CB LYS A 271 9.821 -3.801 2.189 1.00 0.00 C ATOM 228 CG LYS A 271 10.362 -5.051 2.861 1.00 0.00 C ATOM 229 CD LYS A 271 11.613 -4.753 3.671 1.00 0.00 C ATOM 230 CE LYS A 271 12.857 -4.751 2.795 1.00 0.00 C ATOM 231 NZ LYS A 271 12.783 -3.713 1.729 1.00 0.00 N ATOM 0 H LYS A 271 7.691 -1.828 2.310 1.00 0.00 H new ATOM 0 HA LYS A 271 8.036 -4.545 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 271 10.293 -3.690 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 271 10.103 -2.930 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 271 9.598 -5.474 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 271 10.588 -5.803 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 271 11.509 -3.784 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 271 11.723 -5.497 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 271 13.737 -4.574 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 271 12.981 -5.733 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 13.745 -3.432 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 12.282 -4.099 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 12.270 -2.883 2.088 1.00 0.00 H new ATOM 245 N VAL A 272 7.326 -5.494 3.459 1.00 0.00 N ATOM 246 CA VAL A 272 6.682 -6.002 4.665 1.00 0.00 C ATOM 247 C VAL A 272 7.671 -6.089 5.821 1.00 0.00 C ATOM 248 O VAL A 272 8.552 -6.949 5.837 1.00 0.00 O ATOM 249 CB VAL A 272 6.063 -7.392 4.427 1.00 0.00 C ATOM 250 CG1 VAL A 272 5.723 -8.058 5.751 1.00 0.00 C ATOM 251 CG2 VAL A 272 4.829 -7.282 3.544 1.00 0.00 C ATOM 0 H VAL A 272 7.518 -6.204 2.752 1.00 0.00 H new ATOM 0 HA VAL A 272 5.890 -5.299 4.921 1.00 0.00 H new ATOM 0 HB VAL A 272 6.796 -8.013 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.287 -9.039 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 272 6.630 -8.172 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 272 5.008 -7.441 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.405 -8.274 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 272 4.090 -6.644 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 272 5.107 -6.849 2.583 1.00 0.00 H new ATOM 261 N THR A 273 7.520 -5.192 6.791 1.00 0.00 N ATOM 262 CA THR A 273 8.399 -5.166 7.953 1.00 0.00 C ATOM 263 C THR A 273 7.842 -6.022 9.084 1.00 0.00 C ATOM 264 O THR A 273 8.593 -6.669 9.814 1.00 0.00 O ATOM 265 CB THR A 273 8.609 -3.729 8.467 1.00 0.00 C ATOM 266 OG1 THR A 273 7.345 -3.121 8.751 1.00 0.00 O ATOM 267 CG2 THR A 273 9.361 -2.893 7.443 1.00 0.00 C ATOM 0 H THR A 273 6.796 -4.473 6.794 1.00 0.00 H new ATOM 0 HA THR A 273 9.358 -5.573 7.632 1.00 0.00 H new ATOM 0 HB THR A 273 9.202 -3.776 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 273 7.487 -2.208 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 273 9.497 -1.882 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 273 10.335 -3.343 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 273 8.790 -2.854 6.515 1.00 0.00 H new ATOM 275 N SER A 274 6.520 -6.022 9.223 1.00 0.00 N ATOM 276 CA SER A 274 5.861 -6.797 10.269 1.00 0.00 C ATOM 277 C SER A 274 4.509 -7.316 9.790 1.00 0.00 C ATOM 278 O SER A 274 3.650 -6.543 9.365 1.00 0.00 O ATOM 279 CB SER A 274 5.677 -5.944 11.526 1.00 0.00 C ATOM 280 OG SER A 274 6.801 -6.050 12.382 1.00 0.00 O ATOM 0 H SER A 274 5.884 -5.494 8.625 1.00 0.00 H new ATOM 0 HA SER A 274 6.494 -7.651 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 274 5.528 -4.902 11.244 1.00 0.00 H new ATOM 0 HB3 SER A 274 4.780 -6.262 12.057 1.00 0.00 H new ATOM 0 HG SER A 274 7.601 -6.241 11.849 1.00 0.00 H new ATOM 286 N ILE A 275 4.328 -8.631 9.862 1.00 0.00 N ATOM 287 CA ILE A 275 3.081 -9.254 9.437 1.00 0.00 C ATOM 288 C ILE A 275 2.096 -9.359 10.596 1.00 0.00 C ATOM 289 O ILE A 275 2.479 -9.678 11.722 1.00 0.00 O ATOM 290 CB ILE A 275 3.323 -10.659 8.855 1.00 0.00 C ATOM 291 CG1 ILE A 275 4.139 -10.566 7.564 1.00 0.00 C ATOM 292 CG2 ILE A 275 1.998 -11.363 8.601 1.00 0.00 C ATOM 293 CD1 ILE A 275 5.619 -10.360 7.798 1.00 0.00 C ATOM 0 H ILE A 275 5.029 -9.285 10.211 1.00 0.00 H new ATOM 0 HA ILE A 275 2.658 -8.616 8.661 1.00 0.00 H new ATOM 0 HB ILE A 275 3.889 -11.244 9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 275 3.994 -11.479 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 275 3.757 -9.743 6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 275 2.186 -12.355 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 275 1.450 -11.457 9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 275 1.407 -10.782 7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.135 -10.303 6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 275 5.775 -9.433 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 275 6.016 -11.196 8.375 1.00 0.00 H new ATOM 305 N MET A 276 0.826 -9.090 10.313 1.00 0.00 N ATOM 306 CA MET A 276 -0.215 -9.157 11.332 1.00 0.00 C ATOM 307 C MET A 276 -1.385 -10.013 10.859 1.00 0.00 C ATOM 308 O MET A 276 -1.671 -10.081 9.664 1.00 0.00 O ATOM 309 CB MET A 276 -0.706 -7.752 11.684 1.00 0.00 C ATOM 310 CG MET A 276 0.403 -6.817 12.141 1.00 0.00 C ATOM 311 SD MET A 276 0.073 -5.094 11.728 1.00 0.00 S ATOM 312 CE MET A 276 0.373 -5.105 9.962 1.00 0.00 C ATOM 0 H MET A 276 0.493 -8.824 9.387 1.00 0.00 H new ATOM 0 HA MET A 276 0.213 -9.618 12.222 1.00 0.00 H new ATOM 0 HB2 MET A 276 -1.199 -7.320 10.813 1.00 0.00 H new ATOM 0 HB3 MET A 276 -1.456 -7.825 12.471 1.00 0.00 H new ATOM 0 HG2 MET A 276 0.530 -6.910 13.220 1.00 0.00 H new ATOM 0 HG3 MET A 276 1.343 -7.123 11.682 1.00 0.00 H new ATOM 0 HE1 MET A 276 0.561 -4.088 9.618 1.00 0.00 H new ATOM 0 HE2 MET A 276 1.241 -5.727 9.744 1.00 0.00 H new ATOM 0 HE3 MET A 276 -0.500 -5.507 9.447 1.00 0.00 H new ATOM 322 N GLN A 277 -2.057 -10.664 11.803 1.00 0.00 N ATOM 323 CA GLN A 277 -3.195 -11.517 11.480 1.00 0.00 C ATOM 324 C GLN A 277 -4.202 -10.773 10.609 1.00 0.00 C ATOM 325 O GLN A 277 -4.819 -11.358 9.718 1.00 0.00 O ATOM 326 CB GLN A 277 -3.874 -12.004 12.761 1.00 0.00 C ATOM 327 CG GLN A 277 -3.244 -13.259 13.344 1.00 0.00 C ATOM 328 CD GLN A 277 -1.748 -13.122 13.544 1.00 0.00 C ATOM 329 OE1 GLN A 277 -0.957 -13.473 12.667 1.00 0.00 O ATOM 330 NE2 GLN A 277 -1.350 -12.609 14.703 1.00 0.00 N ATOM 0 H GLN A 277 -1.833 -10.617 12.797 1.00 0.00 H new ATOM 0 HA GLN A 277 -2.825 -12.378 10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -3.838 -11.209 13.506 1.00 0.00 H new ATOM 0 HB3 GLN A 277 -4.926 -12.198 12.553 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -3.715 -13.487 14.300 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -3.443 -14.102 12.682 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -2.040 -12.331 15.401 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -0.355 -12.493 14.894 1.00 0.00 H new ATOM 339 N PHE A 278 -4.363 -9.480 10.871 1.00 0.00 N ATOM 340 CA PHE A 278 -5.296 -8.657 10.111 1.00 0.00 C ATOM 341 C PHE A 278 -4.670 -8.194 8.799 1.00 0.00 C ATOM 342 O PHE A 278 -5.225 -8.410 7.723 1.00 0.00 O ATOM 343 CB PHE A 278 -5.730 -7.445 10.938 1.00 0.00 C ATOM 344 CG PHE A 278 -4.602 -6.798 11.691 1.00 0.00 C ATOM 345 CD1 PHE A 278 -4.209 -7.284 12.928 1.00 0.00 C ATOM 346 CD2 PHE A 278 -3.936 -5.705 11.163 1.00 0.00 C ATOM 347 CE1 PHE A 278 -3.171 -6.693 13.623 1.00 0.00 C ATOM 348 CE2 PHE A 278 -2.897 -5.109 11.853 1.00 0.00 C ATOM 349 CZ PHE A 278 -2.515 -5.603 13.085 1.00 0.00 C ATOM 0 H PHE A 278 -3.859 -8.980 11.604 1.00 0.00 H new ATOM 0 HA PHE A 278 -6.172 -9.264 9.880 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -6.185 -6.708 10.276 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -6.499 -7.755 11.646 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -4.720 -8.135 13.354 1.00 0.00 H new ATOM 0 HD2 PHE A 278 -4.232 -5.314 10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -2.873 -7.083 14.585 1.00 0.00 H new ATOM 0 HE2 PHE A 278 -2.384 -4.258 11.429 1.00 0.00 H new ATOM 0 HZ PHE A 278 -1.705 -5.138 13.627 1.00 0.00 H new ATOM 359 N GLY A 279 -3.508 -7.554 8.898 1.00 0.00 N ATOM 360 CA GLY A 279 -2.825 -7.069 7.713 1.00 0.00 C ATOM 361 C GLY A 279 -1.317 -7.144 7.843 1.00 0.00 C ATOM 362 O GLY A 279 -0.795 -7.844 8.712 1.00 0.00 O ATOM 0 H GLY A 279 -3.028 -7.363 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 279 -3.142 -7.654 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 279 -3.120 -6.037 7.524 1.00 0.00 H new ATOM 366 N CYS A 280 -0.614 -6.423 6.976 1.00 0.00 N ATOM 367 CA CYS A 280 0.845 -6.413 6.995 1.00 0.00 C ATOM 368 C CYS A 280 1.379 -4.987 6.901 1.00 0.00 C ATOM 369 O CYS A 280 0.880 -4.176 6.121 1.00 0.00 O ATOM 370 CB CYS A 280 1.397 -7.255 5.844 1.00 0.00 C ATOM 371 SG CYS A 280 1.047 -6.582 4.203 1.00 0.00 S ATOM 0 H CYS A 280 -1.030 -5.838 6.251 1.00 0.00 H new ATOM 0 HA CYS A 280 1.175 -6.844 7.940 1.00 0.00 H new ATOM 0 HB2 CYS A 280 2.476 -7.351 5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 280 0.979 -8.259 5.910 1.00 0.00 H new ATOM 0 HG CYS A 280 0.869 -5.297 4.290 1.00 0.00 H new ATOM 377 N PHE A 281 2.397 -4.688 7.702 1.00 0.00 N ATOM 378 CA PHE A 281 2.998 -3.360 7.710 1.00 0.00 C ATOM 379 C PHE A 281 3.967 -3.193 6.543 1.00 0.00 C ATOM 380 O PHE A 281 5.012 -3.843 6.491 1.00 0.00 O ATOM 381 CB PHE A 281 3.729 -3.116 9.032 1.00 0.00 C ATOM 382 CG PHE A 281 2.815 -2.727 10.159 1.00 0.00 C ATOM 383 CD1 PHE A 281 1.882 -1.716 9.995 1.00 0.00 C ATOM 384 CD2 PHE A 281 2.890 -3.372 11.383 1.00 0.00 C ATOM 385 CE1 PHE A 281 1.039 -1.356 11.030 1.00 0.00 C ATOM 386 CE2 PHE A 281 2.050 -3.017 12.422 1.00 0.00 C ATOM 387 CZ PHE A 281 1.124 -2.007 12.245 1.00 0.00 C ATOM 0 H PHE A 281 2.822 -5.348 8.353 1.00 0.00 H new ATOM 0 HA PHE A 281 2.198 -2.627 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 281 4.272 -4.019 9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 281 4.471 -2.330 8.888 1.00 0.00 H new ATOM 0 HD1 PHE A 281 1.812 -1.203 9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 281 3.613 -4.161 11.527 1.00 0.00 H new ATOM 0 HE1 PHE A 281 0.315 -0.567 10.889 1.00 0.00 H new ATOM 0 HE2 PHE A 281 2.118 -3.528 13.371 1.00 0.00 H new ATOM 0 HZ PHE A 281 0.468 -1.727 13.056 1.00 0.00 H new ATOM 397 N VAL A 282 3.612 -2.319 5.607 1.00 0.00 N ATOM 398 CA VAL A 282 4.448 -2.066 4.440 1.00 0.00 C ATOM 399 C VAL A 282 5.108 -0.694 4.524 1.00 0.00 C ATOM 400 O VAL A 282 4.429 0.333 4.523 1.00 0.00 O ATOM 401 CB VAL A 282 3.634 -2.153 3.136 1.00 0.00 C ATOM 402 CG1 VAL A 282 4.473 -1.702 1.951 1.00 0.00 C ATOM 403 CG2 VAL A 282 3.116 -3.568 2.925 1.00 0.00 C ATOM 0 H VAL A 282 2.750 -1.774 5.634 1.00 0.00 H new ATOM 0 HA VAL A 282 5.219 -2.837 4.430 1.00 0.00 H new ATOM 0 HB VAL A 282 2.777 -1.485 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 282 3.881 -1.771 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 282 4.790 -0.670 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 282 5.351 -2.342 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 282 2.543 -3.611 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 282 3.957 -4.258 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 282 2.476 -3.850 3.761 1.00 0.00 H new ATOM 413 N GLN A 283 6.435 -0.684 4.597 1.00 0.00 N ATOM 414 CA GLN A 283 7.186 0.562 4.681 1.00 0.00 C ATOM 415 C GLN A 283 7.583 1.054 3.293 1.00 0.00 C ATOM 416 O GLN A 283 8.182 0.316 2.509 1.00 0.00 O ATOM 417 CB GLN A 283 8.434 0.373 5.544 1.00 0.00 C ATOM 418 CG GLN A 283 9.283 1.627 5.671 1.00 0.00 C ATOM 419 CD GLN A 283 10.756 1.320 5.856 1.00 0.00 C ATOM 420 OE1 GLN A 283 11.516 1.261 4.889 1.00 0.00 O ATOM 421 NE2 GLN A 283 11.167 1.121 7.102 1.00 0.00 N ATOM 0 H GLN A 283 7.012 -1.525 4.600 1.00 0.00 H new ATOM 0 HA GLN A 283 6.544 1.312 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 283 8.131 0.047 6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 283 9.042 -0.425 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 283 9.153 2.241 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 283 8.930 2.216 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 283 10.503 1.180 7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 283 12.147 0.910 7.288 1.00 0.00 H new ATOM 430 N LEU A 284 7.246 2.304 2.995 1.00 0.00 N ATOM 431 CA LEU A 284 7.567 2.895 1.700 1.00 0.00 C ATOM 432 C LEU A 284 9.062 3.176 1.586 1.00 0.00 C ATOM 433 O LEU A 284 9.720 3.495 2.576 1.00 0.00 O ATOM 434 CB LEU A 284 6.776 4.188 1.497 1.00 0.00 C ATOM 435 CG LEU A 284 5.253 4.052 1.513 1.00 0.00 C ATOM 436 CD1 LEU A 284 4.595 5.422 1.458 1.00 0.00 C ATOM 437 CD2 LEU A 284 4.783 3.185 0.354 1.00 0.00 C ATOM 0 H LEU A 284 6.751 2.928 3.632 1.00 0.00 H new ATOM 0 HA LEU A 284 7.290 2.182 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.066 4.894 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.072 4.626 0.544 1.00 0.00 H new ATOM 0 HG LEU A 284 4.960 3.568 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 284 3.511 5.306 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 284 4.907 6.010 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 284 4.895 5.933 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.697 3.099 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.088 3.641 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 284 5.228 2.193 0.438 1.00 0.00 H new ATOM 449 N GLU A 285 9.590 3.059 0.372 1.00 0.00 N ATOM 450 CA GLU A 285 11.007 3.302 0.129 1.00 0.00 C ATOM 451 C GLU A 285 11.203 4.512 -0.781 1.00 0.00 C ATOM 452 O GLU A 285 10.326 4.857 -1.571 1.00 0.00 O ATOM 453 CB GLU A 285 11.660 2.068 -0.498 1.00 0.00 C ATOM 454 CG GLU A 285 11.534 0.816 0.353 1.00 0.00 C ATOM 455 CD GLU A 285 12.538 -0.254 -0.032 1.00 0.00 C ATOM 456 OE1 GLU A 285 13.727 0.086 -0.212 1.00 0.00 O ATOM 457 OE2 GLU A 285 12.136 -1.430 -0.153 1.00 0.00 O ATOM 0 H GLU A 285 9.058 2.798 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 285 11.483 3.508 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 285 11.207 1.883 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 285 12.716 2.275 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 285 11.672 1.079 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 285 10.525 0.415 0.255 1.00 0.00 H new ATOM 464 N GLY A 286 12.362 5.153 -0.662 1.00 0.00 N ATOM 465 CA GLY A 286 12.653 6.317 -1.478 1.00 0.00 C ATOM 466 C GLY A 286 12.386 7.618 -0.748 1.00 0.00 C ATOM 467 O GLY A 286 13.302 8.411 -0.521 1.00 0.00 O ATOM 0 H GLY A 286 13.104 4.887 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 286 13.697 6.287 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 286 12.049 6.282 -2.384 1.00 0.00 H new ATOM 471 N LEU A 287 11.130 7.841 -0.379 1.00 0.00 N ATOM 472 CA LEU A 287 10.744 9.057 0.328 1.00 0.00 C ATOM 473 C LEU A 287 11.645 9.293 1.536 1.00 0.00 C ATOM 474 O LEU A 287 11.995 8.357 2.254 1.00 0.00 O ATOM 475 CB LEU A 287 9.284 8.969 0.777 1.00 0.00 C ATOM 476 CG LEU A 287 8.236 9.031 -0.334 1.00 0.00 C ATOM 477 CD1 LEU A 287 6.910 8.463 0.149 1.00 0.00 C ATOM 478 CD2 LEU A 287 8.059 10.463 -0.820 1.00 0.00 C ATOM 0 H LEU A 287 10.361 7.195 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 287 10.857 9.897 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 287 9.149 8.037 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 287 9.090 9.781 1.477 1.00 0.00 H new ATOM 0 HG LEU A 287 8.584 8.424 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 287 6.177 8.516 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 287 7.047 7.424 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 287 6.555 9.042 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 287 7.309 10.489 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 287 7.733 11.091 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 287 9.007 10.836 -1.207 1.00 0.00 H new ATOM 490 N ARG A 288 12.015 10.551 1.755 1.00 0.00 N ATOM 491 CA ARG A 288 12.875 10.910 2.876 1.00 0.00 C ATOM 492 C ARG A 288 12.191 10.605 4.205 1.00 0.00 C ATOM 493 O ARG A 288 12.802 10.048 5.118 1.00 0.00 O ATOM 494 CB ARG A 288 13.243 12.394 2.809 1.00 0.00 C ATOM 495 CG ARG A 288 14.250 12.723 1.719 1.00 0.00 C ATOM 496 CD ARG A 288 15.678 12.508 2.196 1.00 0.00 C ATOM 497 NE ARG A 288 16.595 12.261 1.087 1.00 0.00 N ATOM 498 CZ ARG A 288 17.773 11.663 1.226 1.00 0.00 C ATOM 499 NH1 ARG A 288 18.174 11.253 2.422 1.00 0.00 N ATOM 500 NH2 ARG A 288 18.551 11.473 0.169 1.00 0.00 N ATOM 0 H ARG A 288 11.733 11.338 1.171 1.00 0.00 H new ATOM 0 HA ARG A 288 13.785 10.313 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 288 12.337 12.977 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 288 13.649 12.703 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 288 14.059 12.099 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 288 14.122 13.759 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 288 16.010 13.385 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 288 15.707 11.664 2.885 1.00 0.00 H new ATOM 0 HE ARG A 288 16.316 12.564 0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 288 17.578 11.397 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 288 19.079 10.794 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 288 18.245 11.786 -0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 288 19.455 11.014 0.277 1.00 0.00 H new ATOM 514 N LYS A 289 10.918 10.973 4.308 1.00 0.00 N ATOM 515 CA LYS A 289 10.149 10.739 5.524 1.00 0.00 C ATOM 516 C LYS A 289 9.619 9.309 5.566 1.00 0.00 C ATOM 517 O LYS A 289 8.576 9.007 4.986 1.00 0.00 O ATOM 518 CB LYS A 289 8.985 11.728 5.616 1.00 0.00 C ATOM 519 CG LYS A 289 8.113 11.530 6.843 1.00 0.00 C ATOM 520 CD LYS A 289 7.463 12.832 7.281 1.00 0.00 C ATOM 521 CE LYS A 289 6.603 12.636 8.520 1.00 0.00 C ATOM 522 NZ LYS A 289 7.394 12.786 9.773 1.00 0.00 N ATOM 0 H LYS A 289 10.397 11.435 3.563 1.00 0.00 H new ATOM 0 HA LYS A 289 10.812 10.888 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 289 9.382 12.743 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 289 8.367 11.633 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 289 7.341 10.792 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 289 8.716 11.131 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 289 8.235 13.574 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 289 6.850 13.225 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 289 5.789 13.361 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 289 6.148 11.646 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 289 6.772 12.645 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 289 8.156 12.078 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 289 7.807 13.740 9.811 1.00 0.00 H new ATOM 536 N ARG A 290 10.343 8.434 6.256 1.00 0.00 N ATOM 537 CA ARG A 290 9.944 7.036 6.373 1.00 0.00 C ATOM 538 C ARG A 290 8.457 6.920 6.694 1.00 0.00 C ATOM 539 O ARG A 290 8.000 7.381 7.739 1.00 0.00 O ATOM 540 CB ARG A 290 10.767 6.338 7.457 1.00 0.00 C ATOM 541 CG ARG A 290 10.403 4.875 7.651 1.00 0.00 C ATOM 542 CD ARG A 290 10.987 4.323 8.942 1.00 0.00 C ATOM 543 NE ARG A 290 10.290 3.118 9.386 1.00 0.00 N ATOM 544 CZ ARG A 290 10.275 2.701 10.647 1.00 0.00 C ATOM 545 NH1 ARG A 290 10.916 3.386 11.584 1.00 0.00 N ATOM 546 NH2 ARG A 290 9.618 1.595 10.973 1.00 0.00 N ATOM 0 H ARG A 290 11.209 8.668 6.742 1.00 0.00 H new ATOM 0 HA ARG A 290 10.130 6.550 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 290 11.824 6.410 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 290 10.631 6.866 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 290 9.318 4.767 7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 290 10.770 4.292 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 290 12.043 4.098 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 290 10.929 5.083 9.721 1.00 0.00 H new ATOM 0 HE ARG A 290 9.788 2.567 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 290 11.423 4.236 11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 290 10.902 3.063 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 290 9.124 1.065 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 290 9.607 1.275 11.941 1.00 0.00 H new ATOM 560 N TRP A 291 7.709 6.301 5.788 1.00 0.00 N ATOM 561 CA TRP A 291 6.273 6.125 5.975 1.00 0.00 C ATOM 562 C TRP A 291 5.930 4.657 6.207 1.00 0.00 C ATOM 563 O TRP A 291 6.555 3.767 5.631 1.00 0.00 O ATOM 564 CB TRP A 291 5.511 6.653 4.758 1.00 0.00 C ATOM 565 CG TRP A 291 5.374 8.146 4.745 1.00 0.00 C ATOM 566 CD1 TRP A 291 5.842 9.003 3.790 1.00 0.00 C ATOM 567 CD2 TRP A 291 4.728 8.956 5.733 1.00 0.00 C ATOM 568 NE1 TRP A 291 5.526 10.297 4.126 1.00 0.00 N ATOM 569 CE2 TRP A 291 4.842 10.295 5.312 1.00 0.00 C ATOM 570 CE3 TRP A 291 4.063 8.680 6.931 1.00 0.00 C ATOM 571 CZ2 TRP A 291 4.316 11.354 6.049 1.00 0.00 C ATOM 572 CZ3 TRP A 291 3.542 9.732 7.660 1.00 0.00 C ATOM 573 CH2 TRP A 291 3.670 11.055 7.217 1.00 0.00 C ATOM 0 H TRP A 291 8.072 5.913 4.917 1.00 0.00 H new ATOM 0 HA TRP A 291 5.974 6.692 6.856 1.00 0.00 H new ATOM 0 HB2 TRP A 291 6.024 6.334 3.851 1.00 0.00 H new ATOM 0 HB3 TRP A 291 4.518 6.204 4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 291 6.381 8.707 2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 291 5.763 11.125 3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 291 3.958 7.663 7.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 291 4.415 12.375 5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 291 3.027 9.531 8.588 1.00 0.00 H new ATOM 0 HH2 TRP A 291 3.250 11.855 7.809 1.00 0.00 H new ATOM 584 N GLU A 292 4.935 4.413 7.053 1.00 0.00 N ATOM 585 CA GLU A 292 4.511 3.052 7.361 1.00 0.00 C ATOM 586 C GLU A 292 2.994 2.921 7.269 1.00 0.00 C ATOM 587 O GLU A 292 2.257 3.592 7.991 1.00 0.00 O ATOM 588 CB GLU A 292 4.986 2.650 8.759 1.00 0.00 C ATOM 589 CG GLU A 292 4.852 1.163 9.043 1.00 0.00 C ATOM 590 CD GLU A 292 5.903 0.658 10.012 1.00 0.00 C ATOM 591 OE1 GLU A 292 7.106 0.806 9.712 1.00 0.00 O ATOM 592 OE2 GLU A 292 5.522 0.114 11.070 1.00 0.00 O ATOM 0 H GLU A 292 4.407 5.139 7.537 1.00 0.00 H new ATOM 0 HA GLU A 292 4.961 2.384 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 292 6.030 2.941 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 292 4.414 3.206 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 292 3.861 0.962 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 292 4.930 0.610 8.107 1.00 0.00 H new ATOM 599 N GLY A 293 2.533 2.051 6.375 1.00 0.00 N ATOM 600 CA GLY A 293 1.106 1.848 6.205 1.00 0.00 C ATOM 601 C GLY A 293 0.693 0.409 6.444 1.00 0.00 C ATOM 602 O GLY A 293 1.513 -0.505 6.344 1.00 0.00 O ATOM 0 H GLY A 293 3.122 1.483 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 293 0.565 2.497 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 293 0.818 2.143 5.196 1.00 0.00 H new ATOM 606 N LEU A 294 -0.581 0.206 6.761 1.00 0.00 N ATOM 607 CA LEU A 294 -1.101 -1.132 7.017 1.00 0.00 C ATOM 608 C LEU A 294 -1.988 -1.600 5.868 1.00 0.00 C ATOM 609 O LEU A 294 -2.794 -0.834 5.339 1.00 0.00 O ATOM 610 CB LEU A 294 -1.892 -1.152 8.327 1.00 0.00 C ATOM 611 CG LEU A 294 -2.802 -2.361 8.543 1.00 0.00 C ATOM 612 CD1 LEU A 294 -1.995 -3.560 9.016 1.00 0.00 C ATOM 613 CD2 LEU A 294 -3.901 -2.029 9.542 1.00 0.00 C ATOM 0 H LEU A 294 -1.273 0.951 6.847 1.00 0.00 H new ATOM 0 HA LEU A 294 -0.255 -1.814 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 294 -1.185 -1.102 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 294 -2.502 -0.250 8.373 1.00 0.00 H new ATOM 0 HG LEU A 294 -3.267 -2.615 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 294 -2.660 -4.411 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 294 -1.245 -3.812 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 294 -1.501 -3.318 9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 294 -4.539 -2.901 9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 294 -3.453 -1.748 10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 294 -4.498 -1.200 9.163 1.00 0.00 H new ATOM 625 N VAL A 295 -1.836 -2.865 5.486 1.00 0.00 N ATOM 626 CA VAL A 295 -2.625 -3.436 4.402 1.00 0.00 C ATOM 627 C VAL A 295 -3.507 -4.574 4.904 1.00 0.00 C ATOM 628 O VAL A 295 -3.012 -5.640 5.275 1.00 0.00 O ATOM 629 CB VAL A 295 -1.724 -3.962 3.268 1.00 0.00 C ATOM 630 CG1 VAL A 295 -2.558 -4.326 2.049 1.00 0.00 C ATOM 631 CG2 VAL A 295 -0.664 -2.931 2.911 1.00 0.00 C ATOM 0 H VAL A 295 -1.173 -3.513 5.912 1.00 0.00 H new ATOM 0 HA VAL A 295 -3.255 -2.636 4.014 1.00 0.00 H new ATOM 0 HB VAL A 295 -1.220 -4.864 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 295 -1.905 -4.695 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 295 -3.276 -5.100 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 295 -3.091 -3.443 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 295 -0.036 -3.318 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 295 -1.147 -2.011 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 295 -0.048 -2.724 3.786 1.00 0.00 H new ATOM 641 N HIS A 296 -4.815 -4.342 4.914 1.00 0.00 N ATOM 642 CA HIS A 296 -5.767 -5.349 5.370 1.00 0.00 C ATOM 643 C HIS A 296 -5.638 -6.629 4.550 1.00 0.00 C ATOM 644 O HIS A 296 -5.444 -6.583 3.335 1.00 0.00 O ATOM 645 CB HIS A 296 -7.195 -4.811 5.276 1.00 0.00 C ATOM 646 CG HIS A 296 -8.175 -5.560 6.126 1.00 0.00 C ATOM 647 ND1 HIS A 296 -9.030 -6.517 5.623 1.00 0.00 N ATOM 648 CD2 HIS A 296 -8.430 -5.489 7.454 1.00 0.00 C ATOM 649 CE1 HIS A 296 -9.771 -7.001 6.604 1.00 0.00 C ATOM 650 NE2 HIS A 296 -9.426 -6.394 7.725 1.00 0.00 N ATOM 0 H HIS A 296 -5.241 -3.466 4.612 1.00 0.00 H new ATOM 0 HA HIS A 296 -5.542 -5.581 6.411 1.00 0.00 H new ATOM 0 HB2 HIS A 296 -7.199 -3.762 5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 296 -7.522 -4.852 4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 296 -7.941 -4.841 8.167 1.00 0.00 H new ATOM 0 HE1 HIS A 296 -10.530 -7.763 6.506 1.00 0.00 H new ATOM 0 HE2 HIS A 296 -9.834 -6.569 8.643 1.00 0.00 H new ATOM 658 N ILE A 297 -5.747 -7.770 5.223 1.00 0.00 N ATOM 659 CA ILE A 297 -5.643 -9.062 4.556 1.00 0.00 C ATOM 660 C ILE A 297 -6.556 -9.126 3.336 1.00 0.00 C ATOM 661 O ILE A 297 -6.290 -9.864 2.387 1.00 0.00 O ATOM 662 CB ILE A 297 -5.998 -10.218 5.510 1.00 0.00 C ATOM 663 CG1 ILE A 297 -5.782 -11.565 4.817 1.00 0.00 C ATOM 664 CG2 ILE A 297 -7.437 -10.087 5.989 1.00 0.00 C ATOM 665 CD1 ILE A 297 -5.588 -12.715 5.780 1.00 0.00 C ATOM 0 H ILE A 297 -5.907 -7.826 6.229 1.00 0.00 H new ATOM 0 HA ILE A 297 -4.606 -9.170 4.237 1.00 0.00 H new ATOM 0 HB ILE A 297 -5.341 -10.168 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -6.639 -11.777 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -4.910 -11.495 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -7.673 -10.911 6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -7.560 -9.141 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -8.110 -10.115 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -5.441 -13.638 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -4.714 -12.525 6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -6.470 -12.812 6.413 1.00 0.00 H new ATOM 677 N SER A 298 -7.632 -8.347 3.367 1.00 0.00 N ATOM 678 CA SER A 298 -8.586 -8.317 2.265 1.00 0.00 C ATOM 679 C SER A 298 -7.980 -7.635 1.041 1.00 0.00 C ATOM 680 O SER A 298 -8.302 -7.979 -0.096 1.00 0.00 O ATOM 681 CB SER A 298 -9.864 -7.589 2.687 1.00 0.00 C ATOM 682 OG SER A 298 -10.493 -8.251 3.771 1.00 0.00 O ATOM 0 H SER A 298 -7.865 -7.728 4.143 1.00 0.00 H new ATOM 0 HA SER A 298 -8.833 -9.346 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 298 -9.626 -6.564 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 298 -10.551 -7.534 1.842 1.00 0.00 H new ATOM 0 HG SER A 298 -11.306 -7.766 4.023 1.00 0.00 H new ATOM 688 N GLU A 299 -7.102 -6.668 1.285 1.00 0.00 N ATOM 689 CA GLU A 299 -6.452 -5.938 0.203 1.00 0.00 C ATOM 690 C GLU A 299 -5.380 -6.795 -0.465 1.00 0.00 C ATOM 691 O GLU A 299 -4.995 -6.548 -1.609 1.00 0.00 O ATOM 692 CB GLU A 299 -5.828 -4.645 0.733 1.00 0.00 C ATOM 693 CG GLU A 299 -6.798 -3.476 0.779 1.00 0.00 C ATOM 694 CD GLU A 299 -7.955 -3.715 1.730 1.00 0.00 C ATOM 695 OE1 GLU A 299 -8.844 -4.524 1.390 1.00 0.00 O ATOM 696 OE2 GLU A 299 -7.972 -3.094 2.813 1.00 0.00 O ATOM 0 H GLU A 299 -6.825 -6.372 2.221 1.00 0.00 H new ATOM 0 HA GLU A 299 -7.210 -5.690 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 299 -5.439 -4.823 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 299 -4.979 -4.377 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 299 -6.263 -2.576 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 299 -7.188 -3.292 -0.222 1.00 0.00 H new ATOM 703 N LEU A 300 -4.903 -7.803 0.256 1.00 0.00 N ATOM 704 CA LEU A 300 -3.875 -8.698 -0.265 1.00 0.00 C ATOM 705 C LEU A 300 -4.443 -9.603 -1.353 1.00 0.00 C ATOM 706 O LEU A 300 -4.023 -9.540 -2.509 1.00 0.00 O ATOM 707 CB LEU A 300 -3.288 -9.545 0.865 1.00 0.00 C ATOM 708 CG LEU A 300 -2.907 -8.792 2.140 1.00 0.00 C ATOM 709 CD1 LEU A 300 -2.298 -9.743 3.159 1.00 0.00 C ATOM 710 CD2 LEU A 300 -1.942 -7.660 1.822 1.00 0.00 C ATOM 0 H LEU A 300 -5.211 -8.022 1.203 1.00 0.00 H new ATOM 0 HA LEU A 300 -3.084 -8.089 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 300 -4.011 -10.318 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 300 -2.400 -10.053 0.488 1.00 0.00 H new ATOM 0 HG LEU A 300 -3.812 -8.362 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 300 -2.033 -9.190 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 300 -3.021 -10.519 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 300 -1.403 -10.202 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 300 -1.682 -7.135 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 300 -1.039 -8.068 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 300 -2.413 -6.964 1.128 1.00 0.00 H new ATOM 856 N VAL A 309 -2.782 -13.733 6.706 1.00 0.00 N ATOM 857 CA VAL A 309 -1.778 -12.871 6.094 1.00 0.00 C ATOM 858 C VAL A 309 -0.398 -13.518 6.138 1.00 0.00 C ATOM 859 O VAL A 309 0.310 -13.562 5.132 1.00 0.00 O ATOM 860 CB VAL A 309 -1.713 -11.501 6.796 1.00 0.00 C ATOM 861 CG1 VAL A 309 -0.631 -10.633 6.172 1.00 0.00 C ATOM 862 CG2 VAL A 309 -3.065 -10.808 6.736 1.00 0.00 C ATOM 0 HA VAL A 309 -2.075 -12.726 5.055 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.458 -11.660 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -0.599 -9.669 6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.335 -11.128 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -0.852 -10.479 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -3.001 -9.842 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.352 -10.659 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -3.813 -11.426 7.233 1.00 0.00 H new ATOM 872 N ALA A 310 -0.023 -14.021 7.309 1.00 0.00 N ATOM 873 CA ALA A 310 1.271 -14.668 7.483 1.00 0.00 C ATOM 874 C ALA A 310 1.638 -15.501 6.260 1.00 0.00 C ATOM 875 O ALA A 310 2.678 -15.285 5.638 1.00 0.00 O ATOM 876 CB ALA A 310 1.263 -15.537 8.732 1.00 0.00 C ATOM 0 H ALA A 310 -0.597 -13.993 8.152 1.00 0.00 H new ATOM 0 HA ALA A 310 2.025 -13.890 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 310 2.236 -16.014 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 310 1.055 -14.918 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 310 0.493 -16.302 8.638 1.00 0.00 H new ATOM 882 N ASP A 311 0.777 -16.454 5.919 1.00 0.00 N ATOM 883 CA ASP A 311 1.010 -17.319 4.769 1.00 0.00 C ATOM 884 C ASP A 311 0.878 -16.538 3.465 1.00 0.00 C ATOM 885 O ASP A 311 1.453 -16.913 2.443 1.00 0.00 O ATOM 886 CB ASP A 311 0.027 -18.491 4.778 1.00 0.00 C ATOM 887 CG ASP A 311 0.480 -19.620 5.682 1.00 0.00 C ATOM 888 OD1 ASP A 311 0.120 -19.604 6.877 1.00 0.00 O ATOM 889 OD2 ASP A 311 1.195 -20.521 5.194 1.00 0.00 O ATOM 0 H ASP A 311 -0.089 -16.647 6.423 1.00 0.00 H new ATOM 0 HA ASP A 311 2.026 -17.707 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 311 -0.951 -18.138 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 311 -0.093 -18.868 3.763 1.00 0.00 H new ATOM 894 N VAL A 312 0.116 -15.450 3.508 1.00 0.00 N ATOM 895 CA VAL A 312 -0.092 -14.615 2.331 1.00 0.00 C ATOM 896 C VAL A 312 1.179 -13.857 1.963 1.00 0.00 C ATOM 897 O VAL A 312 1.754 -14.068 0.895 1.00 0.00 O ATOM 898 CB VAL A 312 -1.233 -13.605 2.553 1.00 0.00 C ATOM 899 CG1 VAL A 312 -1.394 -12.704 1.338 1.00 0.00 C ATOM 900 CG2 VAL A 312 -2.533 -14.330 2.865 1.00 0.00 C ATOM 0 H VAL A 312 -0.368 -15.126 4.346 1.00 0.00 H new ATOM 0 HA VAL A 312 -0.363 -15.283 1.513 1.00 0.00 H new ATOM 0 HB VAL A 312 -0.978 -12.979 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 312 -2.205 -11.997 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 312 -0.467 -12.157 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 312 -1.625 -13.311 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 312 -3.328 -13.601 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 312 -2.795 -14.982 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 312 -2.409 -14.927 3.768 1.00 0.00 H new ATOM 910 N VAL A 313 1.613 -12.973 2.856 1.00 0.00 N ATOM 911 CA VAL A 313 2.817 -12.183 2.626 1.00 0.00 C ATOM 912 C VAL A 313 4.009 -12.769 3.375 1.00 0.00 C ATOM 913 O VAL A 313 3.855 -13.670 4.200 1.00 0.00 O ATOM 914 CB VAL A 313 2.620 -10.719 3.063 1.00 0.00 C ATOM 915 CG1 VAL A 313 1.533 -10.056 2.232 1.00 0.00 C ATOM 916 CG2 VAL A 313 2.289 -10.646 4.546 1.00 0.00 C ATOM 0 H VAL A 313 1.149 -12.786 3.745 1.00 0.00 H new ATOM 0 HA VAL A 313 3.014 -12.211 1.554 1.00 0.00 H new ATOM 0 HB VAL A 313 3.552 -10.179 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 313 1.408 -9.022 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 313 1.817 -10.076 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 313 0.594 -10.594 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 313 2.153 -9.605 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 313 1.371 -11.200 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 313 3.105 -11.081 5.123 1.00 0.00 H new ATOM 926 N SER A 314 5.197 -12.251 3.082 1.00 0.00 N ATOM 927 CA SER A 314 6.417 -12.726 3.725 1.00 0.00 C ATOM 928 C SER A 314 7.172 -11.571 4.377 1.00 0.00 C ATOM 929 O SER A 314 7.112 -10.433 3.911 1.00 0.00 O ATOM 930 CB SER A 314 7.317 -13.427 2.705 1.00 0.00 C ATOM 931 OG SER A 314 6.708 -14.608 2.214 1.00 0.00 O ATOM 0 H SER A 314 5.341 -11.503 2.404 1.00 0.00 H new ATOM 0 HA SER A 314 6.136 -13.438 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 314 7.528 -12.751 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 314 8.273 -13.672 3.167 1.00 0.00 H new ATOM 0 HG SER A 314 7.302 -15.036 1.563 1.00 0.00 H new ATOM 937 N LYS A 315 7.882 -11.872 5.459 1.00 0.00 N ATOM 938 CA LYS A 315 8.650 -10.862 6.176 1.00 0.00 C ATOM 939 C LYS A 315 9.845 -10.398 5.349 1.00 0.00 C ATOM 940 O LYS A 315 10.546 -11.209 4.744 1.00 0.00 O ATOM 941 CB LYS A 315 9.131 -11.416 7.520 1.00 0.00 C ATOM 942 CG LYS A 315 9.664 -10.350 8.461 1.00 0.00 C ATOM 943 CD LYS A 315 8.564 -9.787 9.347 1.00 0.00 C ATOM 944 CE LYS A 315 8.196 -10.755 10.460 1.00 0.00 C ATOM 945 NZ LYS A 315 9.098 -10.617 11.637 1.00 0.00 N ATOM 0 H LYS A 315 7.941 -12.809 5.859 1.00 0.00 H new ATOM 0 HA LYS A 315 7.999 -10.006 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 315 8.306 -11.937 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 315 9.913 -12.154 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 315 10.452 -10.774 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 315 10.114 -9.544 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 315 8.891 -8.841 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 315 7.682 -9.573 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 315 7.166 -10.578 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 315 8.244 -11.777 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 315 8.814 -11.294 12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 315 10.078 -10.811 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 315 9.033 -9.649 12.013 1.00 0.00 H new ATOM 959 N GLY A 316 10.073 -9.088 5.329 1.00 0.00 N ATOM 960 CA GLY A 316 11.185 -8.540 4.575 1.00 0.00 C ATOM 961 C GLY A 316 11.061 -8.802 3.087 1.00 0.00 C ATOM 962 O GLY A 316 12.066 -8.943 2.390 1.00 0.00 O ATOM 0 H GLY A 316 9.507 -8.397 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 316 11.243 -7.465 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 316 12.116 -8.972 4.941 1.00 0.00 H new ATOM 966 N GLN A 317 9.826 -8.870 2.600 1.00 0.00 N ATOM 967 CA GLN A 317 9.576 -9.120 1.186 1.00 0.00 C ATOM 968 C GLN A 317 9.159 -7.838 0.472 1.00 0.00 C ATOM 969 O GLN A 317 8.257 -7.132 0.921 1.00 0.00 O ATOM 970 CB GLN A 317 8.492 -10.186 1.019 1.00 0.00 C ATOM 971 CG GLN A 317 8.080 -10.413 -0.427 1.00 0.00 C ATOM 972 CD GLN A 317 6.859 -11.304 -0.553 1.00 0.00 C ATOM 973 OE1 GLN A 317 5.717 -10.702 -0.861 1.00 0.00 O flip ATOM 974 NE2 GLN A 317 6.943 -12.519 -0.374 1.00 0.00 N flip ATOM 0 H GLN A 317 8.984 -8.755 3.164 1.00 0.00 H new ATOM 0 HA GLN A 317 10.502 -9.480 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 317 8.851 -11.126 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 317 7.615 -9.894 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 317 7.874 -9.452 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 317 8.911 -10.862 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 317 7.842 -12.939 -0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 317 6.113 -13.106 -0.461 1.00 0.00 H new ATOM 983 N ARG A 318 9.823 -7.544 -0.641 1.00 0.00 N ATOM 984 CA ARG A 318 9.522 -6.346 -1.416 1.00 0.00 C ATOM 985 C ARG A 318 8.159 -6.464 -2.092 1.00 0.00 C ATOM 986 O ARG A 318 7.887 -7.435 -2.799 1.00 0.00 O ATOM 987 CB ARG A 318 10.606 -6.108 -2.469 1.00 0.00 C ATOM 988 CG ARG A 318 10.698 -7.213 -3.509 1.00 0.00 C ATOM 989 CD ARG A 318 11.747 -6.898 -4.564 1.00 0.00 C ATOM 990 NE ARG A 318 11.207 -6.075 -5.644 1.00 0.00 N ATOM 991 CZ ARG A 318 11.933 -5.635 -6.665 1.00 0.00 C ATOM 992 NH1 ARG A 318 13.222 -5.937 -6.746 1.00 0.00 N ATOM 993 NH2 ARG A 318 11.371 -4.891 -7.609 1.00 0.00 N ATOM 0 H ARG A 318 10.573 -8.119 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 318 9.497 -5.498 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 318 10.409 -5.162 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 318 11.570 -6.009 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 318 10.944 -8.155 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 318 9.728 -7.346 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 318 12.586 -6.380 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 318 12.137 -7.828 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 318 10.219 -5.825 -5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 318 13.658 -6.509 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 318 13.777 -5.597 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 318 10.380 -4.656 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 318 11.930 -4.554 -8.393 1.00 0.00 H new ATOM 1007 N VAL A 319 7.305 -5.470 -1.870 1.00 0.00 N ATOM 1008 CA VAL A 319 5.971 -5.461 -2.458 1.00 0.00 C ATOM 1009 C VAL A 319 5.577 -4.059 -2.906 1.00 0.00 C ATOM 1010 O VAL A 319 6.085 -3.064 -2.389 1.00 0.00 O ATOM 1011 CB VAL A 319 4.917 -5.986 -1.465 1.00 0.00 C ATOM 1012 CG1 VAL A 319 5.079 -7.484 -1.256 1.00 0.00 C ATOM 1013 CG2 VAL A 319 5.015 -5.242 -0.142 1.00 0.00 C ATOM 0 H VAL A 319 7.514 -4.660 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 319 6.003 -6.120 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 319 3.927 -5.807 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 319 4.326 -7.837 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 319 4.955 -8.000 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 319 6.073 -7.691 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 319 4.263 -5.626 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 319 6.007 -5.388 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 319 4.845 -4.178 -0.309 1.00 0.00 H new ATOM 1023 N LYS A 320 4.668 -3.986 -3.873 1.00 0.00 N ATOM 1024 CA LYS A 320 4.202 -2.705 -4.391 1.00 0.00 C ATOM 1025 C LYS A 320 2.790 -2.401 -3.902 1.00 0.00 C ATOM 1026 O LYS A 320 1.911 -3.262 -3.936 1.00 0.00 O ATOM 1027 CB LYS A 320 4.234 -2.710 -5.921 1.00 0.00 C ATOM 1028 CG LYS A 320 5.628 -2.871 -6.501 1.00 0.00 C ATOM 1029 CD LYS A 320 5.631 -2.685 -8.009 1.00 0.00 C ATOM 1030 CE LYS A 320 6.898 -3.243 -8.637 1.00 0.00 C ATOM 1031 NZ LYS A 320 8.113 -2.514 -8.178 1.00 0.00 N ATOM 0 H LYS A 320 4.239 -4.800 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 320 4.870 -1.927 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 320 3.602 -3.520 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 320 3.803 -1.779 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 320 6.299 -2.145 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 320 6.013 -3.861 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 320 4.761 -3.181 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 320 5.543 -1.625 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 320 6.992 -4.300 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 320 6.824 -3.178 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 320 8.657 -2.192 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 320 7.830 -1.691 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 320 8.701 -3.149 -7.601 1.00 0.00 H new ATOM 1045 N VAL A 321 2.578 -1.170 -3.448 1.00 0.00 N ATOM 1046 CA VAL A 321 1.272 -0.751 -2.954 1.00 0.00 C ATOM 1047 C VAL A 321 0.916 0.643 -3.457 1.00 0.00 C ATOM 1048 O VAL A 321 1.781 1.392 -3.911 1.00 0.00 O ATOM 1049 CB VAL A 321 1.226 -0.757 -1.415 1.00 0.00 C ATOM 1050 CG1 VAL A 321 1.299 -2.180 -0.884 1.00 0.00 C ATOM 1051 CG2 VAL A 321 2.352 0.092 -0.845 1.00 0.00 C ATOM 0 H VAL A 321 3.295 -0.445 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 321 0.544 -1.468 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 321 0.278 -0.324 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 321 1.265 -2.164 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 321 0.454 -2.754 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 321 2.230 -2.643 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 321 2.304 0.076 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 321 3.311 -0.309 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 321 2.249 1.118 -1.198 1.00 0.00 H new ATOM 1061 N LYS A 322 -0.365 0.987 -3.374 1.00 0.00 N ATOM 1062 CA LYS A 322 -0.838 2.293 -3.818 1.00 0.00 C ATOM 1063 C LYS A 322 -1.250 3.156 -2.630 1.00 0.00 C ATOM 1064 O LYS A 322 -1.745 2.648 -1.623 1.00 0.00 O ATOM 1065 CB LYS A 322 -2.019 2.130 -4.778 1.00 0.00 C ATOM 1066 CG LYS A 322 -2.604 3.450 -5.252 1.00 0.00 C ATOM 1067 CD LYS A 322 -1.927 3.935 -6.523 1.00 0.00 C ATOM 1068 CE LYS A 322 -2.551 3.307 -7.761 1.00 0.00 C ATOM 1069 NZ LYS A 322 -2.262 4.098 -8.989 1.00 0.00 N ATOM 0 H LYS A 322 -1.095 0.379 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 322 -0.020 2.791 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 322 -1.695 1.554 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 322 -2.800 1.552 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 322 -3.673 3.332 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 322 -2.492 4.201 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 322 -2.004 5.020 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 322 -0.865 3.692 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 322 -2.171 2.293 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 322 -3.630 3.229 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 322 -3.142 4.241 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 322 -1.866 5.022 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 322 -1.576 3.585 -9.579 1.00 0.00 H new ATOM 1083 N VAL A 323 -1.044 4.463 -2.754 1.00 0.00 N ATOM 1084 CA VAL A 323 -1.396 5.397 -1.691 1.00 0.00 C ATOM 1085 C VAL A 323 -2.867 5.791 -1.771 1.00 0.00 C ATOM 1086 O VAL A 323 -3.254 6.622 -2.594 1.00 0.00 O ATOM 1087 CB VAL A 323 -0.531 6.670 -1.753 1.00 0.00 C ATOM 1088 CG1 VAL A 323 -0.815 7.567 -0.558 1.00 0.00 C ATOM 1089 CG2 VAL A 323 0.945 6.307 -1.819 1.00 0.00 C ATOM 0 H VAL A 323 -0.635 4.899 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 323 -1.210 4.886 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 323 -0.788 7.220 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 323 -0.195 8.461 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 323 -1.867 7.854 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 323 -0.587 7.030 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 323 1.542 7.218 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 323 1.219 5.735 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 323 1.133 5.707 -2.710 1.00 0.00 H new ATOM 1099 N LEU A 324 -3.682 5.190 -0.912 1.00 0.00 N ATOM 1100 CA LEU A 324 -5.112 5.478 -0.884 1.00 0.00 C ATOM 1101 C LEU A 324 -5.373 6.889 -0.366 1.00 0.00 C ATOM 1102 O LEU A 324 -6.057 7.682 -1.013 1.00 0.00 O ATOM 1103 CB LEU A 324 -5.841 4.458 -0.008 1.00 0.00 C ATOM 1104 CG LEU A 324 -5.898 3.028 -0.548 1.00 0.00 C ATOM 1105 CD1 LEU A 324 -6.340 2.064 0.542 1.00 0.00 C ATOM 1106 CD2 LEU A 324 -6.832 2.948 -1.746 1.00 0.00 C ATOM 0 H LEU A 324 -3.377 4.500 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 324 -5.491 5.409 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -5.358 4.437 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -6.862 4.807 0.148 1.00 0.00 H new ATOM 0 HG LEU A 324 -4.898 2.742 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -6.375 1.051 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -5.632 2.102 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -7.330 2.347 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 324 -6.860 1.924 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -7.835 3.254 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 324 -6.471 3.610 -2.534 1.00 0.00 H new ATOM 1118 N SER A 325 -4.821 7.196 0.803 1.00 0.00 N ATOM 1119 CA SER A 325 -4.996 8.511 1.409 1.00 0.00 C ATOM 1120 C SER A 325 -3.986 8.730 2.532 1.00 0.00 C ATOM 1121 O SER A 325 -3.565 7.783 3.197 1.00 0.00 O ATOM 1122 CB SER A 325 -6.419 8.662 1.950 1.00 0.00 C ATOM 1123 OG SER A 325 -6.613 9.943 2.524 1.00 0.00 O ATOM 0 H SER A 325 -4.249 6.552 1.350 1.00 0.00 H new ATOM 0 HA SER A 325 -4.827 9.264 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 325 -7.136 8.509 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 325 -6.611 7.892 2.697 1.00 0.00 H new ATOM 0 HG SER A 325 -7.530 10.015 2.861 1.00 0.00 H new ATOM 1129 N PHE A 326 -3.602 9.985 2.738 1.00 0.00 N ATOM 1130 CA PHE A 326 -2.642 10.330 3.779 1.00 0.00 C ATOM 1131 C PHE A 326 -3.189 11.435 4.679 1.00 0.00 C ATOM 1132 O PHE A 326 -3.544 12.516 4.209 1.00 0.00 O ATOM 1133 CB PHE A 326 -1.318 10.775 3.155 1.00 0.00 C ATOM 1134 CG PHE A 326 -0.368 11.394 4.140 1.00 0.00 C ATOM 1135 CD1 PHE A 326 0.122 10.658 5.207 1.00 0.00 C ATOM 1136 CD2 PHE A 326 0.035 12.712 3.999 1.00 0.00 C ATOM 1137 CE1 PHE A 326 0.996 11.224 6.115 1.00 0.00 C ATOM 1138 CE2 PHE A 326 0.909 13.284 4.904 1.00 0.00 C ATOM 1139 CZ PHE A 326 1.389 12.539 5.964 1.00 0.00 C ATOM 0 H PHE A 326 -3.941 10.780 2.197 1.00 0.00 H new ATOM 0 HA PHE A 326 -2.469 9.442 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 326 -0.837 9.914 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 326 -1.523 11.492 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 326 -0.183 9.629 5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 326 -0.338 13.299 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 326 1.371 10.639 6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 326 1.216 14.312 4.783 1.00 0.00 H new ATOM 0 HZ PHE A 326 2.071 12.985 6.673 1.00 0.00 H new ATOM 1149 N THR A 327 -3.254 11.154 5.977 1.00 0.00 N ATOM 1150 CA THR A 327 -3.759 12.122 6.943 1.00 0.00 C ATOM 1151 C THR A 327 -2.991 12.038 8.257 1.00 0.00 C ATOM 1152 O THR A 327 -3.144 11.083 9.018 1.00 0.00 O ATOM 1153 CB THR A 327 -5.258 11.906 7.224 1.00 0.00 C ATOM 1154 OG1 THR A 327 -5.649 12.640 8.389 1.00 0.00 O ATOM 1155 CG2 THR A 327 -5.565 10.429 7.422 1.00 0.00 C ATOM 0 H THR A 327 -2.963 10.265 6.383 1.00 0.00 H new ATOM 0 HA THR A 327 -3.618 13.110 6.504 1.00 0.00 H new ATOM 0 HB THR A 327 -5.821 12.265 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 327 -6.604 12.498 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 327 -6.629 10.302 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 327 -5.294 9.877 6.522 1.00 0.00 H new ATOM 0 HG23 THR A 327 -4.992 10.048 8.267 1.00 0.00 H new ATOM 1163 N GLY A 328 -2.163 13.046 8.519 1.00 0.00 N ATOM 1164 CA GLY A 328 -1.384 13.067 9.743 1.00 0.00 C ATOM 1165 C GLY A 328 -0.382 11.931 9.812 1.00 0.00 C ATOM 1166 O GLY A 328 0.419 11.742 8.896 1.00 0.00 O ATOM 0 H GLY A 328 -2.018 13.848 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 328 -0.856 14.018 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 328 -2.056 13.007 10.599 1.00 0.00 H new ATOM 1170 N THR A 329 -0.425 11.172 10.902 1.00 0.00 N ATOM 1171 CA THR A 329 0.487 10.050 11.089 1.00 0.00 C ATOM 1172 C THR A 329 -0.167 8.736 10.680 1.00 0.00 C ATOM 1173 O THR A 329 0.021 7.707 11.331 1.00 0.00 O ATOM 1174 CB THR A 329 0.955 9.944 12.553 1.00 0.00 C ATOM 1175 OG1 THR A 329 1.864 8.848 12.698 1.00 0.00 O ATOM 1176 CG2 THR A 329 -0.230 9.754 13.487 1.00 0.00 C ATOM 0 H THR A 329 -1.082 11.314 11.669 1.00 0.00 H new ATOM 0 HA THR A 329 1.352 10.236 10.452 1.00 0.00 H new ATOM 0 HB THR A 329 1.461 10.872 12.818 1.00 0.00 H new ATOM 0 HG1 THR A 329 1.439 8.026 12.377 1.00 0.00 H new ATOM 0 HG21 THR A 329 0.125 9.682 14.515 1.00 0.00 H new ATOM 0 HG22 THR A 329 -0.906 10.604 13.395 1.00 0.00 H new ATOM 0 HG23 THR A 329 -0.760 8.839 13.221 1.00 0.00 H new ATOM 1184 N LYS A 330 -0.936 8.774 9.597 1.00 0.00 N ATOM 1185 CA LYS A 330 -1.617 7.585 9.099 1.00 0.00 C ATOM 1186 C LYS A 330 -1.523 7.501 7.579 1.00 0.00 C ATOM 1187 O LYS A 330 -2.020 8.373 6.866 1.00 0.00 O ATOM 1188 CB LYS A 330 -3.086 7.596 9.530 1.00 0.00 C ATOM 1189 CG LYS A 330 -3.291 7.278 11.001 1.00 0.00 C ATOM 1190 CD LYS A 330 -4.677 6.714 11.262 1.00 0.00 C ATOM 1191 CE LYS A 330 -4.981 6.649 12.750 1.00 0.00 C ATOM 1192 NZ LYS A 330 -4.318 5.486 13.402 1.00 0.00 N ATOM 0 H LYS A 330 -1.103 9.617 9.047 1.00 0.00 H new ATOM 0 HA LYS A 330 -1.126 6.710 9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 330 -3.511 8.577 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 330 -3.637 6.872 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 330 -2.538 6.561 11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 330 -3.148 8.182 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 330 -5.423 7.334 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 330 -4.752 5.716 10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 330 -4.650 7.571 13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 330 -6.059 6.582 12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 -4.550 5.477 14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 -4.652 4.605 12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 -3.288 5.563 13.284 1.00 0.00 H new ATOM 1206 N THR A 331 -0.883 6.444 7.088 1.00 0.00 N ATOM 1207 CA THR A 331 -0.723 6.246 5.653 1.00 0.00 C ATOM 1208 C THR A 331 -1.407 4.962 5.196 1.00 0.00 C ATOM 1209 O THR A 331 -1.008 3.864 5.583 1.00 0.00 O ATOM 1210 CB THR A 331 0.764 6.192 5.255 1.00 0.00 C ATOM 1211 OG1 THR A 331 1.466 7.297 5.834 1.00 0.00 O ATOM 1212 CG2 THR A 331 0.920 6.222 3.742 1.00 0.00 C ATOM 0 H THR A 331 -0.467 5.712 7.664 1.00 0.00 H new ATOM 0 HA THR A 331 -1.191 7.099 5.162 1.00 0.00 H new ATOM 0 HB THR A 331 1.184 5.259 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 331 2.413 7.066 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 331 1.978 6.183 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 331 0.409 5.364 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 331 0.485 7.141 3.350 1.00 0.00 H new ATOM 1220 N SER A 332 -2.439 5.108 4.371 1.00 0.00 N ATOM 1221 CA SER A 332 -3.180 3.959 3.864 1.00 0.00 C ATOM 1222 C SER A 332 -2.536 3.415 2.592 1.00 0.00 C ATOM 1223 O SER A 332 -2.075 4.176 1.741 1.00 0.00 O ATOM 1224 CB SER A 332 -4.634 4.345 3.587 1.00 0.00 C ATOM 1225 OG SER A 332 -5.307 4.692 4.785 1.00 0.00 O ATOM 0 H SER A 332 -2.781 6.010 4.040 1.00 0.00 H new ATOM 0 HA SER A 332 -3.157 3.179 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.665 5.185 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.149 3.514 3.105 1.00 0.00 H new ATOM 0 HG SER A 332 -6.234 4.936 4.581 1.00 0.00 H new ATOM 1231 N LEU A 333 -2.507 2.092 2.471 1.00 0.00 N ATOM 1232 CA LEU A 333 -1.920 1.444 1.303 1.00 0.00 C ATOM 1233 C LEU A 333 -2.816 0.319 0.797 1.00 0.00 C ATOM 1234 O LEU A 333 -3.571 -0.280 1.563 1.00 0.00 O ATOM 1235 CB LEU A 333 -0.534 0.893 1.645 1.00 0.00 C ATOM 1236 CG LEU A 333 0.486 1.911 2.157 1.00 0.00 C ATOM 1237 CD1 LEU A 333 1.715 1.205 2.706 1.00 0.00 C ATOM 1238 CD2 LEU A 333 0.875 2.879 1.049 1.00 0.00 C ATOM 0 H LEU A 333 -2.883 1.448 3.167 1.00 0.00 H new ATOM 0 HA LEU A 333 -1.824 2.190 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.651 0.115 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -0.125 0.415 0.755 1.00 0.00 H new ATOM 0 HG LEU A 333 0.028 2.480 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 333 2.430 1.945 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 333 1.423 0.553 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 333 2.175 0.610 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.601 3.596 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 333 1.314 2.325 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -0.011 3.410 0.702 1.00 0.00 H new ATOM 1250 N SER A 334 -2.726 0.035 -0.499 1.00 0.00 N ATOM 1251 CA SER A 334 -3.530 -1.017 -1.109 1.00 0.00 C ATOM 1252 C SER A 334 -2.693 -1.849 -2.076 1.00 0.00 C ATOM 1253 O SER A 334 -1.966 -1.308 -2.908 1.00 0.00 O ATOM 1254 CB SER A 334 -4.728 -0.412 -1.843 1.00 0.00 C ATOM 1255 OG SER A 334 -4.314 0.593 -2.753 1.00 0.00 O ATOM 0 H SER A 334 -2.104 0.519 -1.146 1.00 0.00 H new ATOM 0 HA SER A 334 -3.892 -1.670 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 334 -5.263 -1.195 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 334 -5.425 0.012 -1.120 1.00 0.00 H new ATOM 0 HG SER A 334 -4.505 0.303 -3.669 1.00 0.00 H new ATOM 1261 N MET A 335 -2.801 -3.168 -1.958 1.00 0.00 N ATOM 1262 CA MET A 335 -2.055 -4.076 -2.822 1.00 0.00 C ATOM 1263 C MET A 335 -2.895 -4.494 -4.025 1.00 0.00 C ATOM 1264 O MET A 335 -2.373 -4.685 -5.124 1.00 0.00 O ATOM 1265 CB MET A 335 -1.614 -5.314 -2.038 1.00 0.00 C ATOM 1266 CG MET A 335 -0.377 -5.084 -1.186 1.00 0.00 C ATOM 1267 SD MET A 335 0.359 -6.623 -0.602 1.00 0.00 S ATOM 1268 CE MET A 335 1.166 -7.200 -2.093 1.00 0.00 C ATOM 0 H MET A 335 -3.397 -3.632 -1.273 1.00 0.00 H new ATOM 0 HA MET A 335 -1.171 -3.550 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 335 -2.433 -5.638 -1.395 1.00 0.00 H new ATOM 0 HB3 MET A 335 -1.417 -6.126 -2.738 1.00 0.00 H new ATOM 0 HG2 MET A 335 0.361 -4.530 -1.766 1.00 0.00 H new ATOM 0 HG3 MET A 335 -0.641 -4.464 -0.329 1.00 0.00 H new ATOM 0 HE1 MET A 335 0.894 -8.240 -2.275 1.00 0.00 H new ATOM 0 HE2 MET A 335 0.849 -6.589 -2.938 1.00 0.00 H new ATOM 0 HE3 MET A 335 2.247 -7.123 -1.975 1.00 0.00 H new ATOM 1278 N LYS A 336 -4.199 -4.635 -3.811 1.00 0.00 N ATOM 1279 CA LYS A 336 -5.112 -5.030 -4.877 1.00 0.00 C ATOM 1280 C LYS A 336 -4.851 -4.220 -6.143 1.00 0.00 C ATOM 1281 O LYS A 336 -4.629 -4.783 -7.216 1.00 0.00 O ATOM 1282 CB LYS A 336 -6.563 -4.843 -4.429 1.00 0.00 C ATOM 1283 CG LYS A 336 -6.920 -5.629 -3.180 1.00 0.00 C ATOM 1284 CD LYS A 336 -8.425 -5.757 -3.012 1.00 0.00 C ATOM 1285 CE LYS A 336 -9.023 -4.510 -2.379 1.00 0.00 C ATOM 1286 NZ LYS A 336 -10.267 -4.816 -1.620 1.00 0.00 N ATOM 0 H LYS A 336 -4.647 -4.481 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 336 -4.940 -6.083 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -6.744 -3.784 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -7.226 -5.144 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.473 -6.622 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.496 -5.136 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -8.887 -5.930 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -8.651 -6.625 -2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -8.292 -4.056 -1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -9.242 -3.778 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -10.995 -4.108 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -10.611 -5.762 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -10.066 -4.792 -0.600 1.00 0.00 H new ATOM 1300 N ASP A 337 -4.878 -2.899 -6.012 1.00 0.00 N ATOM 1301 CA ASP A 337 -4.642 -2.012 -7.145 1.00 0.00 C ATOM 1302 C ASP A 337 -3.149 -1.870 -7.422 1.00 0.00 C ATOM 1303 O ASP A 337 -2.657 -0.772 -7.684 1.00 0.00 O ATOM 1304 CB ASP A 337 -5.258 -0.637 -6.881 1.00 0.00 C ATOM 1305 CG ASP A 337 -4.349 0.256 -6.061 1.00 0.00 C ATOM 1306 OD1 ASP A 337 -3.829 -0.214 -5.027 1.00 0.00 O ATOM 1307 OD2 ASP A 337 -4.156 1.426 -6.454 1.00 0.00 O ATOM 0 H ASP A 337 -5.061 -2.418 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 337 -5.116 -2.451 -8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 337 -5.478 -0.152 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -6.207 -0.761 -6.360 1.00 0.00 H new ATOM 1312 N VAL A 338 -2.432 -2.988 -7.361 1.00 0.00 N ATOM 1313 CA VAL A 338 -0.994 -2.988 -7.606 1.00 0.00 C ATOM 1314 C VAL A 338 -0.493 -4.389 -7.935 1.00 0.00 C ATOM 1315 O VAL A 338 -0.500 -5.278 -7.083 1.00 0.00 O ATOM 1316 CB VAL A 338 -0.218 -2.449 -6.389 1.00 0.00 C ATOM 1317 CG1 VAL A 338 1.281 -2.565 -6.618 1.00 0.00 C ATOM 1318 CG2 VAL A 338 -0.612 -1.008 -6.102 1.00 0.00 C ATOM 0 H VAL A 338 -2.823 -3.905 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 338 -0.818 -2.333 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 338 -0.476 -3.052 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 338 1.813 -2.180 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 338 1.546 -3.611 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 338 1.560 -1.987 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 338 -0.054 -0.643 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 338 -0.384 -0.389 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 338 -1.680 -0.958 -5.891 1.00 0.00 H new ATOM 1328 N ASP A 339 -0.057 -4.580 -9.175 1.00 0.00 N ATOM 1329 CA ASP A 339 0.450 -5.874 -9.617 1.00 0.00 C ATOM 1330 C ASP A 339 1.816 -6.161 -9.002 1.00 0.00 C ATOM 1331 O ASP A 339 2.717 -5.325 -9.052 1.00 0.00 O ATOM 1332 CB ASP A 339 0.546 -5.914 -11.143 1.00 0.00 C ATOM 1333 CG ASP A 339 -0.733 -6.408 -11.791 1.00 0.00 C ATOM 1334 OD1 ASP A 339 -1.658 -6.804 -11.051 1.00 0.00 O ATOM 1335 OD2 ASP A 339 -0.809 -6.398 -13.037 1.00 0.00 O ATOM 0 H ASP A 339 -0.044 -3.855 -9.892 1.00 0.00 H new ATOM 0 HA ASP A 339 -0.247 -6.643 -9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 339 0.777 -4.916 -11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 339 1.372 -6.562 -11.435 1.00 0.00 H new ATOM 1340 N GLN A 340 1.960 -7.348 -8.421 1.00 0.00 N ATOM 1341 CA GLN A 340 3.215 -7.744 -7.794 1.00 0.00 C ATOM 1342 C GLN A 340 4.183 -8.313 -8.826 1.00 0.00 C ATOM 1343 O GLN A 340 5.067 -9.101 -8.493 1.00 0.00 O ATOM 1344 CB GLN A 340 2.958 -8.776 -6.695 1.00 0.00 C ATOM 1345 CG GLN A 340 2.127 -8.241 -5.540 1.00 0.00 C ATOM 1346 CD GLN A 340 2.724 -6.993 -4.921 1.00 0.00 C ATOM 1347 OE1 GLN A 340 3.736 -7.056 -4.221 1.00 0.00 O ATOM 1348 NE2 GLN A 340 2.100 -5.849 -5.174 1.00 0.00 N ATOM 0 H GLN A 340 1.223 -8.052 -8.372 1.00 0.00 H new ATOM 0 HA GLN A 340 3.666 -6.856 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 340 2.450 -9.637 -7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 340 3.914 -9.130 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 340 1.120 -8.020 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 340 2.035 -9.013 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 340 1.265 -5.842 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.456 -4.977 -4.783 1.00 0.00 H new ATOM 1357 N GLU A 341 4.009 -7.908 -10.080 1.00 0.00 N ATOM 1358 CA GLU A 341 4.867 -8.379 -11.161 1.00 0.00 C ATOM 1359 C GLU A 341 5.583 -7.212 -11.835 1.00 0.00 C ATOM 1360 O GLU A 341 6.779 -7.284 -12.123 1.00 0.00 O ATOM 1361 CB GLU A 341 4.046 -9.153 -12.194 1.00 0.00 C ATOM 1362 CG GLU A 341 4.890 -9.989 -13.141 1.00 0.00 C ATOM 1363 CD GLU A 341 5.391 -11.269 -12.501 1.00 0.00 C ATOM 1364 OE1 GLU A 341 4.553 -12.140 -12.185 1.00 0.00 O ATOM 1365 OE2 GLU A 341 6.618 -11.399 -12.315 1.00 0.00 O ATOM 0 H GLU A 341 3.282 -7.255 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 341 5.617 -9.044 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 341 3.345 -9.806 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 341 3.453 -8.448 -12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 341 4.301 -10.235 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 341 5.742 -9.399 -13.480 1.00 0.00 H new ATOM 1372 N THR A 342 4.844 -6.136 -12.086 1.00 0.00 N ATOM 1373 CA THR A 342 5.406 -4.955 -12.728 1.00 0.00 C ATOM 1374 C THR A 342 5.069 -3.691 -11.945 1.00 0.00 C ATOM 1375 O THR A 342 5.873 -2.763 -11.868 1.00 0.00 O ATOM 1376 CB THR A 342 4.893 -4.802 -14.172 1.00 0.00 C ATOM 1377 OG1 THR A 342 3.520 -4.395 -14.164 1.00 0.00 O ATOM 1378 CG2 THR A 342 5.035 -6.109 -14.938 1.00 0.00 C ATOM 0 H THR A 342 3.854 -6.058 -11.854 1.00 0.00 H new ATOM 0 HA THR A 342 6.487 -5.091 -12.747 1.00 0.00 H new ATOM 0 HB THR A 342 5.494 -4.041 -14.669 1.00 0.00 H new ATOM 0 HG1 THR A 342 3.202 -4.298 -15.086 1.00 0.00 H new ATOM 0 HG21 THR A 342 4.666 -5.977 -15.955 1.00 0.00 H new ATOM 0 HG22 THR A 342 6.085 -6.401 -14.968 1.00 0.00 H new ATOM 0 HG23 THR A 342 4.456 -6.887 -14.441 1.00 0.00 H new ATOM 1386 N GLY A 343 3.873 -3.662 -11.363 1.00 0.00 N ATOM 1387 CA GLY A 343 3.451 -2.507 -10.593 1.00 0.00 C ATOM 1388 C GLY A 343 2.587 -1.557 -11.398 1.00 0.00 C ATOM 1389 O GLY A 343 2.680 -0.340 -11.241 1.00 0.00 O ATOM 0 H GLY A 343 3.190 -4.418 -11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 343 2.897 -2.842 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 343 4.331 -1.975 -10.231 1.00 0.00 H new ATOM 1393 N GLU A 344 1.747 -2.114 -12.265 1.00 0.00 N ATOM 1394 CA GLU A 344 0.865 -1.306 -13.100 1.00 0.00 C ATOM 1395 C GLU A 344 -0.316 -0.777 -12.291 1.00 0.00 C ATOM 1396 O GLU A 344 -0.719 -1.379 -11.296 1.00 0.00 O ATOM 1397 CB GLU A 344 0.358 -2.127 -14.287 1.00 0.00 C ATOM 1398 CG GLU A 344 -0.485 -1.325 -15.265 1.00 0.00 C ATOM 1399 CD GLU A 344 -1.318 -2.207 -16.175 1.00 0.00 C ATOM 1400 OE1 GLU A 344 -0.726 -3.016 -16.920 1.00 0.00 O ATOM 1401 OE2 GLU A 344 -2.560 -2.087 -16.143 1.00 0.00 O ATOM 0 H GLU A 344 1.659 -3.120 -12.408 1.00 0.00 H new ATOM 0 HA GLU A 344 1.437 -0.456 -13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 344 1.212 -2.549 -14.817 1.00 0.00 H new ATOM 0 HB3 GLU A 344 -0.231 -2.964 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 344 -1.144 -0.658 -14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 344 0.167 -0.697 -15.871 1.00 0.00 H new ATOM 1408 N ASP A 345 -0.865 0.351 -12.726 1.00 0.00 N ATOM 1409 CA ASP A 345 -2.001 0.961 -12.044 1.00 0.00 C ATOM 1410 C ASP A 345 -3.302 0.261 -12.422 1.00 0.00 C ATOM 1411 O ASP A 345 -4.000 0.682 -13.346 1.00 0.00 O ATOM 1412 CB ASP A 345 -2.089 2.449 -12.387 1.00 0.00 C ATOM 1413 CG ASP A 345 -3.419 3.058 -11.987 1.00 0.00 C ATOM 1414 OD1 ASP A 345 -4.034 2.555 -11.024 1.00 0.00 O ATOM 1415 OD2 ASP A 345 -3.844 4.036 -12.637 1.00 0.00 O ATOM 0 H ASP A 345 -0.542 0.862 -13.548 1.00 0.00 H new ATOM 0 HA ASP A 345 -1.850 0.852 -10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -1.282 2.983 -11.885 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -1.940 2.581 -13.459 1.00 0.00 H new