USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 590 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 153 ASN : amide:sc= -0.0482 K(o=-0.058,f=-1.6!) USER MOD Set 1.2: A 156 GLN :FLIP amide:sc=-0.00997 F(o=-0.98,f=-0.058) USER MOD Set 1.3: A 157 GLN : amide:sc= 0 K(o=-0.058,f=-0.59) USER MOD Set 2.1: A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 140 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 98 HIS : no HD1:sc= 1.01 K(o=2.3,f=-6!) USER MOD Set 3.2: A 144 SER OG : rot 78:sc= 1.33 USER MOD Single : A 96 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.13) USER MOD Single : A 105 SER OG : rot -107:sc= 1.62 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00315 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -68:sc= 0.801 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 176:sc= 0 (180deg=-0.0524) USER MOD Single : A 134 THR OG1 : rot -76:sc= 0.804 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl -161:sc= -0.119 (180deg=-0.869) USER MOD Single : A 161 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 167 GLN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 170 THR OG1 : rot 27:sc= 0.0931 USER MOD Single : A 171 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.540 13.857 -5.962 1.00 0.00 N ATOM 179 CA HIS A 96 0.717 12.747 -6.432 1.00 0.00 C ATOM 180 C HIS A 96 -0.366 12.412 -5.403 1.00 0.00 C ATOM 181 O HIS A 96 -0.459 13.053 -4.352 1.00 0.00 O ATOM 182 CB HIS A 96 1.617 11.539 -6.730 1.00 0.00 C ATOM 183 CG HIS A 96 2.505 11.690 -7.939 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.713 11.020 -8.111 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.226 12.383 -9.081 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.122 11.276 -9.361 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.257 12.115 -9.960 1.00 0.00 N ATOM 0 HA HIS A 96 0.207 13.029 -7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.244 11.348 -5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.987 10.660 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.369 13.015 -9.262 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.012 10.870 -9.819 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.348 12.490 -10.904 1.00 0.00 H new ATOM 195 N PHE A 97 -1.252 11.480 -5.754 1.00 0.00 N ATOM 196 CA PHE A 97 -2.347 10.988 -4.922 1.00 0.00 C ATOM 197 C PHE A 97 -2.000 9.541 -4.586 1.00 0.00 C ATOM 198 O PHE A 97 -1.397 8.869 -5.431 1.00 0.00 O ATOM 199 CB PHE A 97 -3.674 11.106 -5.679 1.00 0.00 C ATOM 200 CG PHE A 97 -4.003 12.536 -6.055 1.00 0.00 C ATOM 201 CD1 PHE A 97 -4.353 13.479 -5.069 1.00 0.00 C ATOM 202 CD2 PHE A 97 -3.889 12.943 -7.394 1.00 0.00 C ATOM 203 CE1 PHE A 97 -4.624 14.811 -5.429 1.00 0.00 C ATOM 204 CE2 PHE A 97 -4.083 14.289 -7.738 1.00 0.00 C ATOM 205 CZ PHE A 97 -4.474 15.222 -6.764 1.00 0.00 C ATOM 0 H PHE A 97 -1.224 11.028 -6.668 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.468 11.568 -4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.628 10.498 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.477 10.702 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.413 13.178 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.652 12.219 -8.160 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.947 15.518 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.931 14.610 -8.758 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.658 16.250 -7.040 1.00 0.00 H new ATOM 215 N HIS A 98 -2.375 9.066 -3.394 1.00 0.00 N ATOM 216 CA HIS A 98 -2.060 7.708 -2.955 1.00 0.00 C ATOM 217 C HIS A 98 -3.309 6.961 -2.511 1.00 0.00 C ATOM 218 O HIS A 98 -4.236 7.538 -1.936 1.00 0.00 O ATOM 219 CB HIS A 98 -0.990 7.718 -1.847 1.00 0.00 C ATOM 220 CG HIS A 98 0.103 8.737 -2.051 1.00 0.00 C ATOM 221 ND1 HIS A 98 0.835 8.901 -3.227 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.479 9.700 -1.160 1.00 0.00 C ATOM 223 CE1 HIS A 98 1.596 9.990 -3.039 1.00 0.00 C ATOM 224 NE2 HIS A 98 1.408 10.481 -1.808 1.00 0.00 N ATOM 0 H HIS A 98 -2.902 9.611 -2.712 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.649 7.173 -3.811 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.476 7.910 -0.890 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.540 6.727 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.119 9.824 -0.149 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.265 10.410 -3.776 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.876 11.298 -1.416 1.00 0.00 H new ATOM 232 N VAL A 99 -3.292 5.654 -2.730 1.00 0.00 N ATOM 233 CA VAL A 99 -4.349 4.714 -2.431 1.00 0.00 C ATOM 234 C VAL A 99 -3.845 3.691 -1.418 1.00 0.00 C ATOM 235 O VAL A 99 -2.696 3.247 -1.468 1.00 0.00 O ATOM 236 CB VAL A 99 -4.769 4.025 -3.751 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.858 2.967 -3.536 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.248 5.044 -4.796 1.00 0.00 C ATOM 0 H VAL A 99 -2.482 5.197 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.211 5.222 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.875 3.526 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.118 2.513 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.489 2.198 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.742 3.437 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.534 4.522 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.107 5.589 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.443 5.745 -5.016 1.00 0.00 H new ATOM 248 N PHE A 100 -4.711 3.383 -0.461 1.00 0.00 N ATOM 249 CA PHE A 100 -4.545 2.414 0.603 1.00 0.00 C ATOM 250 C PHE A 100 -5.210 1.138 0.116 1.00 0.00 C ATOM 251 O PHE A 100 -6.331 1.193 -0.398 1.00 0.00 O ATOM 252 CB PHE A 100 -5.228 2.917 1.885 1.00 0.00 C ATOM 253 CG PHE A 100 -5.594 1.811 2.863 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.641 1.170 3.677 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.923 1.344 2.856 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.020 0.059 4.458 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.303 0.253 3.646 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.351 -0.403 4.438 1.00 0.00 C ATOM 0 H PHE A 100 -5.619 3.844 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.493 2.249 0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.566 3.625 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.132 3.462 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.622 1.528 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.657 1.834 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.287 -0.440 5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.329 -0.083 3.645 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.636 -1.259 5.031 1.00 0.00 H new ATOM 268 N VAL A 101 -4.527 0.011 0.290 1.00 0.00 N ATOM 269 CA VAL A 101 -5.012 -1.302 -0.092 1.00 0.00 C ATOM 270 C VAL A 101 -4.807 -2.196 1.132 1.00 0.00 C ATOM 271 O VAL A 101 -3.792 -2.047 1.817 1.00 0.00 O ATOM 272 CB VAL A 101 -4.286 -1.822 -1.351 1.00 0.00 C ATOM 273 CG1 VAL A 101 -5.060 -3.010 -1.932 1.00 0.00 C ATOM 274 CG2 VAL A 101 -4.131 -0.756 -2.452 1.00 0.00 C ATOM 0 H VAL A 101 -3.598 -0.010 0.711 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.066 -1.284 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.285 -2.112 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.548 -3.378 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.115 -3.806 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.068 -2.692 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.613 -1.189 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.116 -0.408 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.555 0.085 -2.066 1.00 0.00 H new ATOM 284 N GLY A 102 -5.730 -3.115 1.421 1.00 0.00 N ATOM 285 CA GLY A 102 -5.648 -4.018 2.565 1.00 0.00 C ATOM 286 C GLY A 102 -6.263 -5.379 2.262 1.00 0.00 C ATOM 287 O GLY A 102 -6.802 -5.576 1.172 1.00 0.00 O ATOM 0 H GLY A 102 -6.568 -3.253 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.604 -4.147 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.159 -3.571 3.418 1.00 0.00 H new ATOM 291 N ASP A 103 -6.232 -6.274 3.259 1.00 0.00 N ATOM 292 CA ASP A 103 -6.745 -7.656 3.219 1.00 0.00 C ATOM 293 C ASP A 103 -6.007 -8.511 2.162 1.00 0.00 C ATOM 294 O ASP A 103 -6.485 -9.561 1.735 1.00 0.00 O ATOM 295 CB ASP A 103 -8.286 -7.687 3.098 1.00 0.00 C ATOM 296 CG ASP A 103 -9.040 -7.560 4.424 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.752 -8.273 5.417 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.994 -6.759 4.503 1.00 0.00 O ATOM 0 H ASP A 103 -5.827 -6.043 4.166 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.521 -8.130 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.600 -6.877 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.579 -8.621 2.618 1.00 0.00 H new ATOM 303 N LEU A 104 -4.821 -8.063 1.734 1.00 0.00 N ATOM 304 CA LEU A 104 -3.984 -8.719 0.738 1.00 0.00 C ATOM 305 C LEU A 104 -3.545 -10.098 1.225 1.00 0.00 C ATOM 306 O LEU A 104 -3.039 -10.233 2.344 1.00 0.00 O ATOM 307 CB LEU A 104 -2.713 -7.894 0.462 1.00 0.00 C ATOM 308 CG LEU A 104 -2.923 -6.435 0.022 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.571 -5.718 0.005 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.542 -6.340 -1.370 1.00 0.00 C ATOM 0 H LEU A 104 -4.408 -7.201 2.089 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.578 -8.810 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.104 -7.893 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.137 -8.404 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.607 -5.970 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.712 -4.683 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.135 -5.741 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.902 -6.219 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.672 -5.292 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.885 -6.822 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.511 -6.838 -1.372 1.00 0.00 H new ATOM 322 N SER A 105 -3.679 -11.107 0.363 1.00 0.00 N ATOM 323 CA SER A 105 -3.280 -12.478 0.659 1.00 0.00 C ATOM 324 C SER A 105 -1.753 -12.485 0.930 1.00 0.00 C ATOM 325 O SER A 105 -1.041 -11.647 0.365 1.00 0.00 O ATOM 326 CB SER A 105 -3.727 -13.347 -0.529 1.00 0.00 C ATOM 327 OG SER A 105 -4.039 -14.662 -0.129 1.00 0.00 O ATOM 0 H SER A 105 -4.073 -10.991 -0.571 1.00 0.00 H new ATOM 0 HA SER A 105 -3.749 -12.892 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.599 -12.895 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.935 -13.373 -1.278 1.00 0.00 H new ATOM 0 HG SER A 105 -3.330 -15.271 -0.425 1.00 0.00 H new ATOM 333 N PRO A 106 -1.194 -13.397 1.747 1.00 0.00 N ATOM 334 CA PRO A 106 0.242 -13.416 2.060 1.00 0.00 C ATOM 335 C PRO A 106 1.163 -13.597 0.853 1.00 0.00 C ATOM 336 O PRO A 106 2.338 -13.228 0.912 1.00 0.00 O ATOM 337 CB PRO A 106 0.439 -14.535 3.086 1.00 0.00 C ATOM 338 CG PRO A 106 -0.779 -15.427 2.880 1.00 0.00 C ATOM 339 CD PRO A 106 -1.878 -14.447 2.482 1.00 0.00 C ATOM 0 HA PRO A 106 0.529 -12.439 2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.368 -15.078 2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.483 -14.144 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.604 -16.171 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.036 -15.970 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.635 -14.932 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.388 -14.048 3.359 1.00 0.00 H new ATOM 347 N GLU A 107 0.683 -14.187 -0.237 1.00 0.00 N ATOM 348 CA GLU A 107 1.477 -14.389 -1.448 1.00 0.00 C ATOM 349 C GLU A 107 1.693 -13.102 -2.244 1.00 0.00 C ATOM 350 O GLU A 107 2.678 -13.006 -2.978 1.00 0.00 O ATOM 351 CB GLU A 107 0.843 -15.449 -2.329 1.00 0.00 C ATOM 352 CG GLU A 107 -0.645 -15.216 -2.563 1.00 0.00 C ATOM 353 CD GLU A 107 -1.457 -16.195 -1.728 1.00 0.00 C ATOM 354 OE1 GLU A 107 -1.660 -17.343 -2.183 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.809 -15.856 -0.572 1.00 0.00 O ATOM 0 H GLU A 107 -0.271 -14.541 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 107 2.460 -14.727 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.357 -15.470 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.984 -16.427 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.908 -14.192 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.881 -15.342 -3.620 1.00 0.00 H new ATOM 362 N ILE A 108 0.821 -12.112 -2.056 1.00 0.00 N ATOM 363 CA ILE A 108 0.875 -10.847 -2.758 1.00 0.00 C ATOM 364 C ILE A 108 2.194 -10.138 -2.512 1.00 0.00 C ATOM 365 O ILE A 108 2.589 -9.868 -1.376 1.00 0.00 O ATOM 366 CB ILE A 108 -0.357 -9.983 -2.423 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.664 -10.737 -2.745 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.336 -8.667 -3.216 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.719 -11.219 -4.194 1.00 0.00 C ATOM 0 H ILE A 108 0.045 -12.176 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 108 0.834 -11.038 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.318 -9.765 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.760 -11.593 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.514 -10.083 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.215 -8.075 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.564 -8.105 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.342 -8.886 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.659 -11.743 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.652 -10.363 -4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.886 -11.896 -4.384 1.00 0.00 H new ATOM 381 N THR A 109 2.872 -9.858 -3.614 1.00 0.00 N ATOM 382 CA THR A 109 4.140 -9.176 -3.666 1.00 0.00 C ATOM 383 C THR A 109 3.888 -7.798 -4.293 1.00 0.00 C ATOM 384 O THR A 109 2.763 -7.429 -4.639 1.00 0.00 O ATOM 385 CB THR A 109 5.173 -10.085 -4.348 1.00 0.00 C ATOM 386 OG1 THR A 109 6.453 -9.485 -4.255 1.00 0.00 O ATOM 387 CG2 THR A 109 4.825 -10.413 -5.801 1.00 0.00 C ATOM 0 H THR A 109 2.529 -10.117 -4.539 1.00 0.00 H new ATOM 0 HA THR A 109 4.584 -8.976 -2.691 1.00 0.00 H new ATOM 0 HB THR A 109 5.169 -11.040 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.117 -10.062 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.596 -11.058 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.863 -10.924 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.768 -9.490 -6.379 1.00 0.00 H new ATOM 395 N THR A 110 4.921 -6.965 -4.364 1.00 0.00 N ATOM 396 CA THR A 110 4.798 -5.622 -4.915 1.00 0.00 C ATOM 397 C THR A 110 4.457 -5.622 -6.407 1.00 0.00 C ATOM 398 O THR A 110 3.764 -4.713 -6.867 1.00 0.00 O ATOM 399 CB THR A 110 6.072 -4.866 -4.538 1.00 0.00 C ATOM 400 OG1 THR A 110 6.091 -4.803 -3.118 1.00 0.00 O ATOM 401 CG2 THR A 110 6.109 -3.470 -5.143 1.00 0.00 C ATOM 0 H THR A 110 5.860 -7.200 -4.043 1.00 0.00 H new ATOM 0 HA THR A 110 3.945 -5.097 -4.485 1.00 0.00 H new ATOM 0 HB THR A 110 6.949 -5.381 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.895 -4.326 -2.822 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.032 -2.970 -4.848 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.067 -3.543 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.255 -2.895 -4.785 1.00 0.00 H new ATOM 409 N GLU A 111 4.905 -6.634 -7.146 1.00 0.00 N ATOM 410 CA GLU A 111 4.615 -6.723 -8.570 1.00 0.00 C ATOM 411 C GLU A 111 3.134 -7.042 -8.772 1.00 0.00 C ATOM 412 O GLU A 111 2.536 -6.545 -9.719 1.00 0.00 O ATOM 413 CB GLU A 111 5.488 -7.796 -9.221 1.00 0.00 C ATOM 414 CG GLU A 111 6.975 -7.524 -8.968 1.00 0.00 C ATOM 415 CD GLU A 111 7.935 -8.422 -9.753 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.505 -9.429 -10.374 1.00 0.00 O ATOM 417 OE2 GLU A 111 9.155 -8.158 -9.681 1.00 0.00 O ATOM 0 H GLU A 111 5.469 -7.401 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 111 4.839 -5.767 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.222 -8.776 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.297 -7.823 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.187 -6.484 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.176 -7.644 -7.903 1.00 0.00 H new ATOM 424 N ASP A 112 2.546 -7.821 -7.857 1.00 0.00 N ATOM 425 CA ASP A 112 1.135 -8.219 -7.889 1.00 0.00 C ATOM 426 C ASP A 112 0.240 -6.999 -7.767 1.00 0.00 C ATOM 427 O ASP A 112 -0.700 -6.836 -8.540 1.00 0.00 O ATOM 428 CB ASP A 112 0.787 -9.220 -6.788 1.00 0.00 C ATOM 429 CG ASP A 112 0.543 -10.603 -7.366 1.00 0.00 C ATOM 430 OD1 ASP A 112 1.523 -11.272 -7.755 1.00 0.00 O ATOM 431 OD2 ASP A 112 -0.632 -11.018 -7.410 1.00 0.00 O ATOM 0 H ASP A 112 3.050 -8.201 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 112 0.966 -8.709 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.599 -9.264 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.101 -8.884 -6.253 1.00 0.00 H new ATOM 436 N ILE A 113 0.526 -6.129 -6.791 1.00 0.00 N ATOM 437 CA ILE A 113 -0.272 -4.925 -6.609 1.00 0.00 C ATOM 438 C ILE A 113 -0.171 -4.098 -7.890 1.00 0.00 C ATOM 439 O ILE A 113 -1.184 -3.648 -8.422 1.00 0.00 O ATOM 440 CB ILE A 113 0.177 -4.110 -5.379 1.00 0.00 C ATOM 441 CG1 ILE A 113 0.044 -4.931 -4.079 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.645 -2.807 -5.362 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.212 -4.088 -2.812 1.00 0.00 C ATOM 0 H ILE A 113 1.293 -6.239 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.309 -5.203 -6.419 1.00 0.00 H new ATOM 0 HB ILE A 113 1.236 -3.860 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.934 -5.413 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.791 -5.725 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.353 -2.204 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.459 -2.247 -6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.706 -3.047 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.107 -4.726 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.200 -3.627 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.551 -3.310 -2.789 1.00 0.00 H new ATOM 455 N LYS A 114 1.052 -3.858 -8.373 1.00 0.00 N ATOM 456 CA LYS A 114 1.227 -3.084 -9.591 1.00 0.00 C ATOM 457 C LYS A 114 0.432 -3.697 -10.733 1.00 0.00 C ATOM 458 O LYS A 114 -0.295 -2.965 -11.389 1.00 0.00 O ATOM 459 CB LYS A 114 2.705 -2.942 -9.937 1.00 0.00 C ATOM 460 CG LYS A 114 3.250 -1.665 -9.306 1.00 0.00 C ATOM 461 CD LYS A 114 4.753 -1.539 -9.536 1.00 0.00 C ATOM 462 CE LYS A 114 5.540 -2.096 -8.349 1.00 0.00 C ATOM 463 NZ LYS A 114 6.991 -1.858 -8.518 1.00 0.00 N ATOM 0 H LYS A 114 1.917 -4.185 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 114 0.838 -2.080 -9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.260 -3.807 -9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.836 -2.911 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.740 -0.800 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.041 -1.666 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.031 -2.074 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.014 -0.492 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.196 -1.627 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.352 -3.165 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.504 -2.245 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.321 -2.326 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.169 -0.836 -8.587 1.00 0.00 H new ATOM 477 N ALA A 115 0.532 -5.007 -10.947 1.00 0.00 N ATOM 478 CA ALA A 115 -0.181 -5.713 -11.996 1.00 0.00 C ATOM 479 C ALA A 115 -1.678 -5.418 -11.914 1.00 0.00 C ATOM 480 O ALA A 115 -2.293 -5.087 -12.928 1.00 0.00 O ATOM 481 CB ALA A 115 0.070 -7.222 -11.865 1.00 0.00 C ATOM 0 H ALA A 115 1.124 -5.615 -10.382 1.00 0.00 H new ATOM 0 HA ALA A 115 0.184 -5.372 -12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.466 -7.750 -12.654 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.138 -7.422 -11.955 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.283 -7.566 -10.893 1.00 0.00 H new ATOM 487 N ALA A 116 -2.248 -5.511 -10.712 1.00 0.00 N ATOM 488 CA ALA A 116 -3.655 -5.296 -10.427 1.00 0.00 C ATOM 489 C ALA A 116 -4.167 -3.884 -10.713 1.00 0.00 C ATOM 490 O ALA A 116 -5.255 -3.712 -11.253 1.00 0.00 O ATOM 491 CB ALA A 116 -3.894 -5.621 -8.966 1.00 0.00 C ATOM 0 H ALA A 116 -1.712 -5.749 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.209 -5.948 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.946 -5.467 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.627 -6.661 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.281 -4.969 -8.343 1.00 0.00 H new ATOM 497 N PHE A 117 -3.409 -2.864 -10.315 1.00 0.00 N ATOM 498 CA PHE A 117 -3.790 -1.467 -10.499 1.00 0.00 C ATOM 499 C PHE A 117 -3.306 -0.873 -11.831 1.00 0.00 C ATOM 500 O PHE A 117 -3.717 0.228 -12.191 1.00 0.00 O ATOM 501 CB PHE A 117 -3.267 -0.678 -9.290 1.00 0.00 C ATOM 502 CG PHE A 117 -4.094 -0.859 -8.025 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.843 -1.939 -7.161 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.126 0.043 -7.703 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.606 -2.114 -5.998 1.00 0.00 C ATOM 506 CE2 PHE A 117 -5.886 -0.123 -6.529 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.627 -1.208 -5.677 1.00 0.00 C ATOM 0 H PHE A 117 -2.508 -2.986 -9.853 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.877 -1.400 -10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.241 -0.983 -9.087 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.240 0.381 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.056 -2.640 -7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.337 0.871 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.406 -2.951 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.666 0.583 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.211 -1.344 -4.779 1.00 0.00 H new ATOM 517 N ALA A 118 -2.465 -1.587 -12.579 1.00 0.00 N ATOM 518 CA ALA A 118 -1.901 -1.146 -13.854 1.00 0.00 C ATOM 519 C ALA A 118 -2.949 -0.778 -14.908 1.00 0.00 C ATOM 520 O ALA A 118 -2.811 0.305 -15.484 1.00 0.00 O ATOM 521 CB ALA A 118 -0.897 -2.158 -14.413 1.00 0.00 C ATOM 0 H ALA A 118 -2.148 -2.517 -12.306 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.371 -0.222 -13.622 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.501 -1.793 -15.361 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.079 -2.288 -13.704 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.395 -3.114 -14.572 1.00 0.00 H new ATOM 527 N PRO A 119 -4.013 -1.569 -15.170 1.00 0.00 N ATOM 528 CA PRO A 119 -5.001 -1.190 -16.176 1.00 0.00 C ATOM 529 C PRO A 119 -5.812 0.053 -15.775 1.00 0.00 C ATOM 530 O PRO A 119 -6.589 0.558 -16.595 1.00 0.00 O ATOM 531 CB PRO A 119 -5.886 -2.422 -16.378 1.00 0.00 C ATOM 532 CG PRO A 119 -5.783 -3.165 -15.054 1.00 0.00 C ATOM 533 CD PRO A 119 -4.350 -2.875 -14.612 1.00 0.00 C ATOM 0 HA PRO A 119 -4.513 -0.899 -17.106 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.916 -2.142 -16.601 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.535 -3.034 -17.209 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.511 -2.801 -14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.960 -4.234 -15.175 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.271 -2.867 -13.525 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.667 -3.643 -14.975 1.00 0.00 H new ATOM 541 N PHE A 120 -5.602 0.594 -14.566 1.00 0.00 N ATOM 542 CA PHE A 120 -6.336 1.772 -14.106 1.00 0.00 C ATOM 543 C PHE A 120 -5.529 3.056 -14.290 1.00 0.00 C ATOM 544 O PHE A 120 -6.115 4.143 -14.236 1.00 0.00 O ATOM 545 CB PHE A 120 -6.782 1.598 -12.649 1.00 0.00 C ATOM 546 CG PHE A 120 -7.776 0.469 -12.494 1.00 0.00 C ATOM 547 CD1 PHE A 120 -9.151 0.727 -12.641 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.331 -0.851 -12.291 1.00 0.00 C ATOM 549 CE1 PHE A 120 -10.075 -0.327 -12.577 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.258 -1.903 -12.230 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.633 -1.641 -12.354 1.00 0.00 C ATOM 0 H PHE A 120 -4.928 0.231 -13.892 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.227 1.867 -14.727 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.911 1.403 -12.024 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.229 2.526 -12.293 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.496 1.738 -12.803 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.276 -1.054 -12.182 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.129 -0.127 -12.700 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.914 -2.917 -12.087 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.347 -2.447 -12.278 1.00 0.00 H new ATOM 561 N GLY A 121 -4.234 2.975 -14.592 1.00 0.00 N ATOM 562 CA GLY A 121 -3.390 4.133 -14.800 1.00 0.00 C ATOM 563 C GLY A 121 -1.935 3.779 -14.567 1.00 0.00 C ATOM 564 O GLY A 121 -1.613 2.727 -14.011 1.00 0.00 O ATOM 0 H GLY A 121 -3.742 2.088 -14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.521 4.508 -15.815 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.688 4.934 -14.123 1.00 0.00 H new ATOM 568 N ARG A 122 -1.032 4.650 -15.017 1.00 0.00 N ATOM 569 CA ARG A 122 0.387 4.451 -14.838 1.00 0.00 C ATOM 570 C ARG A 122 0.656 4.698 -13.359 1.00 0.00 C ATOM 571 O ARG A 122 0.301 5.760 -12.836 1.00 0.00 O ATOM 572 CB ARG A 122 1.165 5.415 -15.749 1.00 0.00 C ATOM 573 CG ARG A 122 1.736 4.719 -16.979 1.00 0.00 C ATOM 574 CD ARG A 122 2.511 5.671 -17.902 1.00 0.00 C ATOM 575 NE ARG A 122 3.573 6.453 -17.239 1.00 0.00 N ATOM 576 CZ ARG A 122 4.831 6.056 -16.998 1.00 0.00 C ATOM 577 NH1 ARG A 122 5.201 4.789 -17.157 1.00 0.00 N ATOM 578 NH2 ARG A 122 5.741 6.942 -16.608 1.00 0.00 N ATOM 0 H ARG A 122 -1.273 5.508 -15.513 1.00 0.00 H new ATOM 0 HA ARG A 122 0.712 3.448 -15.113 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.506 6.223 -16.066 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.977 5.870 -15.182 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.397 3.913 -16.660 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.922 4.260 -17.540 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.958 5.089 -18.708 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.805 6.362 -18.362 1.00 0.00 H new ATOM 0 HE ARG A 122 3.324 7.393 -16.932 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.522 4.095 -17.469 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.164 4.511 -16.967 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.482 7.922 -16.492 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.698 6.642 -16.424 1.00 0.00 H new ATOM 592 N ILE A 123 1.261 3.724 -12.695 1.00 0.00 N ATOM 593 CA ILE A 123 1.608 3.788 -11.286 1.00 0.00 C ATOM 594 C ILE A 123 3.031 4.343 -11.215 1.00 0.00 C ATOM 595 O ILE A 123 3.857 4.060 -12.096 1.00 0.00 O ATOM 596 CB ILE A 123 1.527 2.370 -10.669 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.136 1.727 -10.897 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.850 2.386 -9.165 1.00 0.00 C ATOM 599 CD1 ILE A 123 0.085 0.237 -10.554 1.00 0.00 C ATOM 0 H ILE A 123 1.531 2.844 -13.135 1.00 0.00 H new ATOM 0 HA ILE A 123 0.925 4.426 -10.725 1.00 0.00 H new ATOM 0 HB ILE A 123 2.278 1.766 -11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.602 2.255 -10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.150 1.861 -11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.783 1.373 -8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.859 2.769 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.137 3.027 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.919 -0.145 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.799 -0.304 -11.175 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.339 0.097 -9.503 1.00 0.00 H new ATOM 611 N SER A 124 3.345 5.091 -10.159 1.00 0.00 N ATOM 612 CA SER A 124 4.674 5.658 -9.952 1.00 0.00 C ATOM 613 C SER A 124 5.275 4.952 -8.740 1.00 0.00 C ATOM 614 O SER A 124 6.308 4.297 -8.862 1.00 0.00 O ATOM 615 CB SER A 124 4.659 7.188 -9.824 1.00 0.00 C ATOM 616 OG SER A 124 3.570 7.777 -10.504 1.00 0.00 O ATOM 0 H SER A 124 2.681 5.321 -9.420 1.00 0.00 H new ATOM 0 HA SER A 124 5.300 5.485 -10.827 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.615 7.461 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.591 7.592 -10.219 1.00 0.00 H new ATOM 0 HG SER A 124 3.686 7.660 -11.470 1.00 0.00 H new ATOM 622 N ASP A 125 4.694 5.142 -7.553 1.00 0.00 N ATOM 623 CA ASP A 125 5.144 4.507 -6.312 1.00 0.00 C ATOM 624 C ASP A 125 4.240 3.338 -5.941 1.00 0.00 C ATOM 625 O ASP A 125 3.018 3.505 -5.951 1.00 0.00 O ATOM 626 CB ASP A 125 5.225 5.492 -5.151 1.00 0.00 C ATOM 627 CG ASP A 125 5.808 4.777 -3.932 1.00 0.00 C ATOM 628 OD1 ASP A 125 7.023 4.467 -3.958 1.00 0.00 O ATOM 629 OD2 ASP A 125 5.047 4.488 -2.985 1.00 0.00 O ATOM 0 H ASP A 125 3.885 5.751 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 125 6.152 4.136 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.849 6.343 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.234 5.884 -4.920 1.00 0.00 H new ATOM 634 N ALA A 126 4.804 2.188 -5.574 1.00 0.00 N ATOM 635 CA ALA A 126 4.046 1.008 -5.182 1.00 0.00 C ATOM 636 C ALA A 126 4.918 0.097 -4.319 1.00 0.00 C ATOM 637 O ALA A 126 6.114 -0.052 -4.591 1.00 0.00 O ATOM 638 CB ALA A 126 3.585 0.276 -6.441 1.00 0.00 C ATOM 0 H ALA A 126 5.814 2.051 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 126 3.174 1.301 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 126 3.016 -0.610 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.955 0.937 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.454 -0.022 -7.027 1.00 0.00 H new ATOM 644 N ARG A 127 4.354 -0.431 -3.231 1.00 0.00 N ATOM 645 CA ARG A 127 4.996 -1.340 -2.289 1.00 0.00 C ATOM 646 C ARG A 127 3.952 -2.046 -1.425 1.00 0.00 C ATOM 647 O ARG A 127 2.837 -1.552 -1.226 1.00 0.00 O ATOM 648 CB ARG A 127 5.979 -0.582 -1.380 1.00 0.00 C ATOM 649 CG ARG A 127 5.323 0.627 -0.701 1.00 0.00 C ATOM 650 CD ARG A 127 6.242 1.199 0.369 1.00 0.00 C ATOM 651 NE ARG A 127 5.736 2.489 0.839 1.00 0.00 N ATOM 652 CZ ARG A 127 6.055 3.115 1.970 1.00 0.00 C ATOM 653 NH1 ARG A 127 6.842 2.524 2.865 1.00 0.00 N ATOM 654 NH2 ARG A 127 5.570 4.332 2.171 1.00 0.00 N ATOM 0 H ARG A 127 3.389 -0.224 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 127 5.546 -2.082 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.364 -1.260 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.832 -0.247 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.099 1.392 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.374 0.330 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.315 0.503 1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.248 1.320 -0.033 1.00 0.00 H new ATOM 0 HE ARG A 127 5.065 2.961 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.204 1.587 2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.084 3.008 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 127 4.970 4.764 1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.797 4.836 3.028 1.00 0.00 H new ATOM 668 N VAL A 128 4.354 -3.182 -0.870 1.00 0.00 N ATOM 669 CA VAL A 128 3.570 -4.013 0.035 1.00 0.00 C ATOM 670 C VAL A 128 4.116 -3.651 1.413 1.00 0.00 C ATOM 671 O VAL A 128 5.340 -3.564 1.582 1.00 0.00 O ATOM 672 CB VAL A 128 3.779 -5.508 -0.287 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.203 -6.455 0.771 1.00 0.00 C ATOM 674 CG2 VAL A 128 3.108 -5.881 -1.608 1.00 0.00 C ATOM 0 H VAL A 128 5.281 -3.568 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 128 2.496 -3.845 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 128 4.862 -5.629 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.389 -7.487 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.681 -6.261 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.129 -6.291 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.270 -6.939 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.038 -5.684 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.537 -5.286 -2.415 1.00 0.00 H new ATOM 684 N VAL A 129 3.247 -3.341 2.373 1.00 0.00 N ATOM 685 CA VAL A 129 3.710 -3.010 3.711 1.00 0.00 C ATOM 686 C VAL A 129 4.131 -4.320 4.363 1.00 0.00 C ATOM 687 O VAL A 129 3.452 -5.341 4.245 1.00 0.00 O ATOM 688 CB VAL A 129 2.628 -2.293 4.533 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.197 -1.953 5.914 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.202 -0.994 3.841 1.00 0.00 C ATOM 0 H VAL A 129 2.235 -3.313 2.249 1.00 0.00 H new ATOM 0 HA VAL A 129 4.547 -2.313 3.663 1.00 0.00 H new ATOM 0 HB VAL A 129 1.762 -2.948 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.436 -1.444 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.496 -2.871 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.064 -1.302 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.435 -0.499 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.065 -0.335 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.803 -1.222 2.853 1.00 0.00 H new ATOM 700 N LYS A 130 5.249 -4.297 5.074 1.00 0.00 N ATOM 701 CA LYS A 130 5.784 -5.455 5.759 1.00 0.00 C ATOM 702 C LYS A 130 6.169 -5.082 7.178 1.00 0.00 C ATOM 703 O LYS A 130 6.347 -3.906 7.508 1.00 0.00 O ATOM 704 CB LYS A 130 6.975 -5.975 4.956 1.00 0.00 C ATOM 705 CG LYS A 130 6.524 -6.820 3.751 1.00 0.00 C ATOM 706 CD LYS A 130 7.636 -6.841 2.720 1.00 0.00 C ATOM 707 CE LYS A 130 7.491 -7.976 1.705 1.00 0.00 C ATOM 708 NZ LYS A 130 8.441 -7.854 0.578 1.00 0.00 N ATOM 0 H LYS A 130 5.816 -3.457 5.190 1.00 0.00 H new ATOM 0 HA LYS A 130 5.038 -6.247 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 130 7.574 -5.134 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 130 7.615 -6.575 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.287 -7.835 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.616 -6.402 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.651 -5.888 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.595 -6.938 3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.649 -8.930 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.472 -7.985 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.302 -8.647 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 8.275 -6.956 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.415 -7.873 0.942 1.00 0.00 H new ATOM 722 N ASP A 131 6.241 -6.091 8.031 1.00 0.00 N ATOM 723 CA ASP A 131 6.607 -5.952 9.427 1.00 0.00 C ATOM 724 C ASP A 131 8.022 -5.396 9.475 1.00 0.00 C ATOM 725 O ASP A 131 8.936 -6.090 9.047 1.00 0.00 O ATOM 726 CB ASP A 131 6.578 -7.320 10.118 1.00 0.00 C ATOM 727 CG ASP A 131 7.084 -7.205 11.557 1.00 0.00 C ATOM 728 OD1 ASP A 131 6.801 -6.162 12.198 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.795 -8.128 12.015 1.00 0.00 O ATOM 0 H ASP A 131 6.041 -7.054 7.762 1.00 0.00 H new ATOM 0 HA ASP A 131 5.907 -5.290 9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.562 -7.714 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.196 -8.027 9.564 1.00 0.00 H new ATOM 734 N MET A 132 8.250 -4.185 9.983 1.00 0.00 N ATOM 735 CA MET A 132 9.602 -3.627 10.032 1.00 0.00 C ATOM 736 C MET A 132 10.588 -4.520 10.804 1.00 0.00 C ATOM 737 O MET A 132 11.793 -4.405 10.582 1.00 0.00 O ATOM 738 CB MET A 132 9.545 -2.200 10.598 1.00 0.00 C ATOM 739 CG MET A 132 10.921 -1.545 10.777 1.00 0.00 C ATOM 740 SD MET A 132 10.901 0.257 10.986 1.00 0.00 S ATOM 741 CE MET A 132 9.788 0.425 12.402 1.00 0.00 C ATOM 0 H MET A 132 7.525 -3.577 10.363 1.00 0.00 H new ATOM 0 HA MET A 132 9.991 -3.587 9.015 1.00 0.00 H new ATOM 0 HB2 MET A 132 8.943 -1.580 9.934 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.036 -2.222 11.562 1.00 0.00 H new ATOM 0 HG2 MET A 132 11.406 -1.990 11.646 1.00 0.00 H new ATOM 0 HG3 MET A 132 11.536 -1.787 9.910 1.00 0.00 H new ATOM 0 HE1 MET A 132 9.730 1.473 12.697 1.00 0.00 H new ATOM 0 HE2 MET A 132 8.795 0.070 12.128 1.00 0.00 H new ATOM 0 HE3 MET A 132 10.168 -0.166 13.235 1.00 0.00 H new ATOM 751 N ALA A 133 10.116 -5.423 11.665 1.00 0.00 N ATOM 752 CA ALA A 133 10.971 -6.292 12.456 1.00 0.00 C ATOM 753 C ALA A 133 11.355 -7.621 11.797 1.00 0.00 C ATOM 754 O ALA A 133 12.374 -8.194 12.188 1.00 0.00 O ATOM 755 CB ALA A 133 10.245 -6.596 13.762 1.00 0.00 C ATOM 0 H ALA A 133 9.120 -5.568 11.830 1.00 0.00 H new ATOM 0 HA ALA A 133 11.908 -5.752 12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.863 -7.248 14.379 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.053 -5.666 14.297 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.299 -7.092 13.545 1.00 0.00 H new ATOM 761 N THR A 134 10.610 -8.112 10.803 1.00 0.00 N ATOM 762 CA THR A 134 10.894 -9.401 10.144 1.00 0.00 C ATOM 763 C THR A 134 10.789 -9.358 8.624 1.00 0.00 C ATOM 764 O THR A 134 11.224 -10.270 7.921 1.00 0.00 O ATOM 765 CB THR A 134 9.906 -10.452 10.673 1.00 0.00 C ATOM 766 OG1 THR A 134 8.562 -10.097 10.395 1.00 0.00 O ATOM 767 CG2 THR A 134 10.013 -10.613 12.181 1.00 0.00 C ATOM 0 H THR A 134 9.792 -7.631 10.429 1.00 0.00 H new ATOM 0 HA THR A 134 11.929 -9.650 10.380 1.00 0.00 H new ATOM 0 HB THR A 134 10.169 -11.381 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 134 8.274 -9.395 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.299 -11.364 12.518 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.023 -10.929 12.442 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.794 -9.661 12.665 1.00 0.00 H new ATOM 775 N GLY A 135 10.165 -8.307 8.117 1.00 0.00 N ATOM 776 CA GLY A 135 9.953 -8.070 6.703 1.00 0.00 C ATOM 777 C GLY A 135 8.828 -8.908 6.093 1.00 0.00 C ATOM 778 O GLY A 135 8.709 -8.948 4.872 1.00 0.00 O ATOM 0 H GLY A 135 9.778 -7.568 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.728 -7.014 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.879 -8.279 6.167 1.00 0.00 H new ATOM 782 N LYS A 136 8.018 -9.601 6.897 1.00 0.00 N ATOM 783 CA LYS A 136 6.923 -10.436 6.395 1.00 0.00 C ATOM 784 C LYS A 136 5.734 -9.541 6.041 1.00 0.00 C ATOM 785 O LYS A 136 5.567 -8.491 6.666 1.00 0.00 O ATOM 786 CB LYS A 136 6.577 -11.498 7.445 1.00 0.00 C ATOM 787 CG LYS A 136 7.767 -12.448 7.692 1.00 0.00 C ATOM 788 CD LYS A 136 7.461 -13.560 8.700 1.00 0.00 C ATOM 789 CE LYS A 136 7.215 -12.958 10.085 1.00 0.00 C ATOM 790 NZ LYS A 136 6.916 -13.972 11.111 1.00 0.00 N ATOM 0 H LYS A 136 8.102 -9.599 7.914 1.00 0.00 H new ATOM 0 HA LYS A 136 7.215 -10.963 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.297 -11.011 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.712 -12.073 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.065 -12.898 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.617 -11.867 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.585 -14.123 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.293 -14.263 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.094 -12.390 10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.385 -12.254 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.759 -13.504 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.061 -14.498 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.717 -14.631 11.192 1.00 0.00 H new ATOM 804 N SER A 137 4.888 -9.948 5.090 1.00 0.00 N ATOM 805 CA SER A 137 3.733 -9.170 4.641 1.00 0.00 C ATOM 806 C SER A 137 2.813 -8.786 5.801 1.00 0.00 C ATOM 807 O SER A 137 2.413 -9.657 6.588 1.00 0.00 O ATOM 808 CB SER A 137 2.937 -9.956 3.586 1.00 0.00 C ATOM 809 OG SER A 137 2.235 -9.060 2.744 1.00 0.00 O ATOM 0 H SER A 137 4.989 -10.839 4.605 1.00 0.00 H new ATOM 0 HA SER A 137 4.116 -8.250 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.613 -10.572 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.237 -10.632 4.076 1.00 0.00 H new ATOM 0 HG SER A 137 1.732 -9.567 2.074 1.00 0.00 H new ATOM 815 N LYS A 138 2.501 -7.489 5.939 1.00 0.00 N ATOM 816 CA LYS A 138 1.593 -7.047 7.006 1.00 0.00 C ATOM 817 C LYS A 138 0.164 -7.472 6.663 1.00 0.00 C ATOM 818 O LYS A 138 -0.523 -8.073 7.487 1.00 0.00 O ATOM 819 CB LYS A 138 1.629 -5.529 7.276 1.00 0.00 C ATOM 820 CG LYS A 138 2.784 -5.147 8.213 1.00 0.00 C ATOM 821 CD LYS A 138 2.480 -3.886 9.031 1.00 0.00 C ATOM 822 CE LYS A 138 3.709 -3.475 9.845 1.00 0.00 C ATOM 823 NZ LYS A 138 3.475 -2.274 10.672 1.00 0.00 N ATOM 0 H LYS A 138 2.855 -6.743 5.340 1.00 0.00 H new ATOM 0 HA LYS A 138 1.939 -7.526 7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 138 1.734 -4.994 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.683 -5.215 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.988 -5.976 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.688 -4.986 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.187 -3.074 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.638 -4.071 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.005 -4.302 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.541 -3.287 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.340 -2.043 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.220 -1.474 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.700 -2.458 11.340 1.00 0.00 H new ATOM 837 N GLY A 139 -0.294 -7.129 5.468 1.00 0.00 N ATOM 838 CA GLY A 139 -1.603 -7.386 4.887 1.00 0.00 C ATOM 839 C GLY A 139 -2.048 -6.201 4.026 1.00 0.00 C ATOM 840 O GLY A 139 -2.985 -6.331 3.241 1.00 0.00 O ATOM 0 H GLY A 139 0.300 -6.614 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.567 -8.291 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.331 -7.562 5.679 1.00 0.00 H new ATOM 844 N TYR A 140 -1.484 -5.009 4.256 1.00 0.00 N ATOM 845 CA TYR A 140 -1.767 -3.781 3.526 1.00 0.00 C ATOM 846 C TYR A 140 -0.685 -3.397 2.507 1.00 0.00 C ATOM 847 O TYR A 140 0.424 -3.942 2.494 1.00 0.00 O ATOM 848 CB TYR A 140 -2.230 -2.679 4.491 1.00 0.00 C ATOM 849 CG TYR A 140 -1.426 -2.457 5.759 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.561 -3.327 6.859 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.650 -1.295 5.885 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.941 -3.024 8.084 1.00 0.00 C ATOM 853 CE2 TYR A 140 -0.054 -0.964 7.114 1.00 0.00 C ATOM 854 CZ TYR A 140 -0.213 -1.823 8.224 1.00 0.00 C ATOM 855 OH TYR A 140 0.329 -1.498 9.428 1.00 0.00 O ATOM 0 H TYR A 140 -0.788 -4.875 4.990 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.616 -3.957 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.250 -1.739 3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.257 -2.900 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -2.144 -4.231 6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.509 -0.650 5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -1.022 -3.708 8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.523 -0.056 7.209 1.00 0.00 H new ATOM 0 HH TYR A 140 0.799 -0.641 9.355 1.00 0.00 H new ATOM 865 N GLY A 141 -0.984 -2.426 1.647 1.00 0.00 N ATOM 866 CA GLY A 141 -0.100 -1.912 0.612 1.00 0.00 C ATOM 867 C GLY A 141 -0.466 -0.477 0.243 1.00 0.00 C ATOM 868 O GLY A 141 -1.450 0.069 0.757 1.00 0.00 O ATOM 0 H GLY A 141 -1.890 -1.958 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.933 -1.950 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.163 -2.546 -0.272 1.00 0.00 H new ATOM 872 N PHE A 142 0.338 0.141 -0.625 1.00 0.00 N ATOM 873 CA PHE A 142 0.145 1.507 -1.102 1.00 0.00 C ATOM 874 C PHE A 142 0.371 1.558 -2.610 1.00 0.00 C ATOM 875 O PHE A 142 1.213 0.817 -3.126 1.00 0.00 O ATOM 876 CB PHE A 142 1.155 2.468 -0.449 1.00 0.00 C ATOM 877 CG PHE A 142 1.035 2.693 1.046 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.054 3.420 1.565 1.00 0.00 C ATOM 879 CD2 PHE A 142 2.058 2.256 1.910 1.00 0.00 C ATOM 880 CE1 PHE A 142 -0.116 3.710 2.941 1.00 0.00 C ATOM 881 CE2 PHE A 142 2.000 2.557 3.282 1.00 0.00 C ATOM 882 CZ PHE A 142 0.919 3.289 3.796 1.00 0.00 C ATOM 0 H PHE A 142 1.162 -0.309 -1.024 1.00 0.00 H new ATOM 0 HA PHE A 142 -0.870 1.809 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 142 2.158 2.094 -0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 142 1.068 3.435 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -0.842 3.755 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.889 1.688 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -0.958 4.256 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.788 2.224 3.941 1.00 0.00 H new ATOM 0 HZ PHE A 142 0.881 3.529 4.848 1.00 0.00 H new ATOM 892 N VAL A 143 -0.352 2.432 -3.309 1.00 0.00 N ATOM 893 CA VAL A 143 -0.248 2.648 -4.751 1.00 0.00 C ATOM 894 C VAL A 143 -0.355 4.164 -4.957 1.00 0.00 C ATOM 895 O VAL A 143 -1.099 4.826 -4.234 1.00 0.00 O ATOM 896 CB VAL A 143 -1.349 1.864 -5.505 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.220 2.013 -7.027 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.285 0.360 -5.210 1.00 0.00 C ATOM 0 H VAL A 143 -1.052 3.031 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 143 0.695 2.278 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.290 2.288 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -2.012 1.447 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.305 3.065 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.250 1.633 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.075 -0.152 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.316 -0.031 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.419 0.193 -4.141 1.00 0.00 H new ATOM 908 N SER A 144 0.368 4.729 -5.922 1.00 0.00 N ATOM 909 CA SER A 144 0.371 6.148 -6.248 1.00 0.00 C ATOM 910 C SER A 144 0.313 6.268 -7.767 1.00 0.00 C ATOM 911 O SER A 144 0.988 5.499 -8.459 1.00 0.00 O ATOM 912 CB SER A 144 1.640 6.778 -5.675 1.00 0.00 C ATOM 913 OG SER A 144 1.623 8.186 -5.771 1.00 0.00 O ATOM 0 H SER A 144 0.991 4.187 -6.520 1.00 0.00 H new ATOM 0 HA SER A 144 -0.483 6.671 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 144 1.749 6.487 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.509 6.389 -6.206 1.00 0.00 H new ATOM 0 HG SER A 144 1.051 8.555 -5.066 1.00 0.00 H new ATOM 919 N PHE A 145 -0.455 7.234 -8.276 1.00 0.00 N ATOM 920 CA PHE A 145 -0.630 7.457 -9.707 1.00 0.00 C ATOM 921 C PHE A 145 -0.293 8.886 -10.119 1.00 0.00 C ATOM 922 O PHE A 145 -0.525 9.845 -9.368 1.00 0.00 O ATOM 923 CB PHE A 145 -2.099 7.198 -10.065 1.00 0.00 C ATOM 924 CG PHE A 145 -2.589 5.784 -9.841 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.095 5.405 -8.583 1.00 0.00 C ATOM 926 CD2 PHE A 145 -2.596 4.867 -10.909 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.653 4.130 -8.407 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.153 3.591 -10.733 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.693 3.235 -9.487 1.00 0.00 C ATOM 0 H PHE A 145 -0.978 7.890 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 145 0.047 6.782 -10.231 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.721 7.876 -9.480 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.249 7.453 -11.114 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.054 6.096 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.173 5.145 -11.863 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -4.050 3.839 -7.446 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.166 2.887 -11.552 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.144 2.262 -9.358 1.00 0.00 H new ATOM 939 N PHE A 146 0.162 9.036 -11.369 1.00 0.00 N ATOM 940 CA PHE A 146 0.503 10.340 -11.932 1.00 0.00 C ATOM 941 C PHE A 146 -0.746 11.211 -12.111 1.00 0.00 C ATOM 942 O PHE A 146 -0.582 12.407 -12.347 1.00 0.00 O ATOM 943 CB PHE A 146 1.177 10.237 -13.314 1.00 0.00 C ATOM 944 CG PHE A 146 2.461 9.442 -13.412 1.00 0.00 C ATOM 945 CD1 PHE A 146 2.400 8.067 -13.679 1.00 0.00 C ATOM 946 CD2 PHE A 146 3.717 10.070 -13.306 1.00 0.00 C ATOM 947 CE1 PHE A 146 3.569 7.302 -13.768 1.00 0.00 C ATOM 948 CE2 PHE A 146 4.894 9.314 -13.458 1.00 0.00 C ATOM 949 CZ PHE A 146 4.821 7.926 -13.677 1.00 0.00 C ATOM 0 H PHE A 146 0.302 8.258 -12.013 1.00 0.00 H new ATOM 0 HA PHE A 146 1.197 10.785 -11.218 1.00 0.00 H new ATOM 0 HB2 PHE A 146 0.458 9.799 -14.006 1.00 0.00 H new ATOM 0 HB3 PHE A 146 1.381 11.249 -13.664 1.00 0.00 H new ATOM 0 HD1 PHE A 146 1.440 7.592 -13.818 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.777 11.130 -13.108 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.506 6.233 -13.907 1.00 0.00 H new ATOM 0 HE2 PHE A 146 5.857 9.801 -13.406 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.725 7.344 -13.775 1.00 0.00 H new ATOM 959 N ASN A 147 -1.967 10.661 -12.039 1.00 0.00 N ATOM 960 CA ASN A 147 -3.221 11.396 -12.206 1.00 0.00 C ATOM 961 C ASN A 147 -4.212 11.010 -11.104 1.00 0.00 C ATOM 962 O ASN A 147 -4.124 9.917 -10.551 1.00 0.00 O ATOM 963 CB ASN A 147 -3.825 11.109 -13.594 1.00 0.00 C ATOM 964 CG ASN A 147 -2.898 11.406 -14.772 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.775 10.614 -15.703 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.237 12.548 -14.784 1.00 0.00 N ATOM 0 H ASN A 147 -2.109 9.667 -11.858 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.014 12.464 -12.130 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.119 10.060 -13.637 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -4.734 11.699 -13.708 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -1.623 12.774 -15.567 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -2.340 13.205 -14.011 1.00 0.00 H new ATOM 973 N LYS A 148 -5.176 11.886 -10.798 1.00 0.00 N ATOM 974 CA LYS A 148 -6.190 11.661 -9.763 1.00 0.00 C ATOM 975 C LYS A 148 -7.217 10.609 -10.156 1.00 0.00 C ATOM 976 O LYS A 148 -7.449 9.670 -9.405 1.00 0.00 O ATOM 977 CB LYS A 148 -6.917 12.984 -9.456 1.00 0.00 C ATOM 978 CG LYS A 148 -8.026 12.781 -8.412 1.00 0.00 C ATOM 979 CD LYS A 148 -8.539 14.114 -7.879 1.00 0.00 C ATOM 980 CE LYS A 148 -9.749 13.865 -6.981 1.00 0.00 C ATOM 981 NZ LYS A 148 -10.272 15.118 -6.401 1.00 0.00 N ATOM 0 H LYS A 148 -5.274 12.785 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.666 11.291 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.200 13.719 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.347 13.387 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.850 12.224 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.645 12.180 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.754 14.621 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -8.814 14.768 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -10.534 13.376 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.471 13.182 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -11.092 14.906 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -9.531 15.572 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -10.562 15.760 -7.166 1.00 0.00 H new ATOM 995 N TRP A 149 -7.822 10.794 -11.321 1.00 0.00 N ATOM 996 CA TRP A 149 -8.864 9.967 -11.920 1.00 0.00 C ATOM 997 C TRP A 149 -8.480 8.497 -11.946 1.00 0.00 C ATOM 998 O TRP A 149 -9.339 7.635 -11.776 1.00 0.00 O ATOM 999 CB TRP A 149 -9.179 10.501 -13.331 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.723 11.912 -13.545 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.642 12.273 -14.268 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -9.152 13.109 -12.830 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.394 13.617 -14.068 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.291 14.182 -13.184 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -10.118 13.367 -11.840 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.435 15.464 -12.632 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.267 14.642 -11.266 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.435 15.699 -11.672 1.00 0.00 C ATOM 0 H TRP A 149 -7.580 11.585 -11.918 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.762 10.031 -11.305 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.704 9.857 -14.071 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.254 10.444 -13.502 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.064 11.616 -14.901 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.638 14.131 -14.520 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.762 12.564 -11.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -7.781 16.266 -12.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -11.022 14.809 -10.512 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.563 16.685 -11.250 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.194 8.219 -12.144 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.651 6.870 -12.192 1.00 0.00 C ATOM 1021 C ASP A 150 -6.927 6.185 -10.853 1.00 0.00 C ATOM 1022 O ASP A 150 -7.521 5.107 -10.792 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.132 6.897 -12.429 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.672 7.404 -13.791 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.496 7.893 -14.602 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.455 7.332 -14.046 1.00 0.00 O ATOM 0 H ASP A 150 -6.488 8.943 -12.278 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.123 6.330 -13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.676 7.520 -11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.746 5.887 -12.291 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.485 6.853 -9.781 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.623 6.426 -8.404 1.00 0.00 C ATOM 1033 C ALA A 151 -8.098 6.319 -8.031 1.00 0.00 C ATOM 1034 O ALA A 151 -8.509 5.304 -7.477 1.00 0.00 O ATOM 1035 CB ALA A 151 -5.893 7.423 -7.493 1.00 0.00 C ATOM 0 H ALA A 151 -6.000 7.746 -9.866 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.176 5.440 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -5.993 7.107 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.837 7.456 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.330 8.414 -7.615 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.893 7.355 -8.324 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.317 7.365 -8.021 1.00 0.00 C ATOM 1043 C GLU A 152 -11.026 6.175 -8.651 1.00 0.00 C ATOM 1044 O GLU A 152 -11.756 5.479 -7.948 1.00 0.00 O ATOM 1045 CB GLU A 152 -10.982 8.678 -8.467 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.540 9.830 -7.565 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.483 11.029 -7.575 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -11.846 11.508 -8.669 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.817 11.525 -6.468 1.00 0.00 O ATOM 0 H GLU A 152 -8.561 8.206 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.412 7.288 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.716 8.895 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.067 8.575 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.449 9.462 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.548 10.159 -7.875 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.798 5.916 -9.942 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.447 4.802 -10.620 1.00 0.00 C ATOM 1058 C ASN A 153 -11.130 3.488 -9.927 1.00 0.00 C ATOM 1059 O ASN A 153 -12.027 2.688 -9.686 1.00 0.00 O ATOM 1060 CB ASN A 153 -11.056 4.735 -12.094 1.00 0.00 C ATOM 1061 CG ASN A 153 -12.011 3.838 -12.876 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -13.189 3.723 -12.553 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -11.535 3.207 -13.931 1.00 0.00 N ATOM 0 H ASN A 153 -10.171 6.463 -10.532 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.522 4.972 -10.568 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -11.063 5.738 -12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -10.038 4.356 -12.186 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -12.148 2.614 -14.490 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.553 3.312 -14.188 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.862 3.277 -9.576 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.411 2.087 -8.896 1.00 0.00 C ATOM 1072 C ALA A 154 -10.091 1.973 -7.530 1.00 0.00 C ATOM 1073 O ALA A 154 -10.594 0.905 -7.232 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.889 2.073 -8.794 1.00 0.00 C ATOM 0 H ALA A 154 -9.115 3.946 -9.764 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.696 1.209 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.567 1.168 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.457 2.093 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.554 2.947 -8.236 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.160 3.017 -6.697 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.826 2.948 -5.389 1.00 0.00 C ATOM 1082 C ILE A 155 -12.269 2.445 -5.551 1.00 0.00 C ATOM 1083 O ILE A 155 -12.783 1.739 -4.679 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.777 4.335 -4.701 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.322 4.650 -4.309 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.681 4.409 -3.455 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.096 6.093 -3.839 1.00 0.00 C ATOM 0 H ILE A 155 -9.758 3.930 -6.908 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.301 2.237 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.152 5.072 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -9.016 3.969 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.676 4.453 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.609 5.402 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.714 4.214 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.360 3.663 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -8.046 6.232 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.368 6.783 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.713 6.291 -2.963 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.929 2.833 -6.640 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.297 2.430 -6.924 1.00 0.00 C ATOM 1101 C GLN A 156 -14.367 0.985 -7.436 1.00 0.00 C ATOM 1102 O GLN A 156 -14.996 0.132 -6.811 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.930 3.368 -7.964 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.992 4.850 -7.557 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.484 5.743 -8.698 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -15.066 5.492 -9.930 1.00 0.00 O flip ATOM 1107 NE2 GLN A 156 -16.288 6.650 -8.478 1.00 0.00 N flip ATOM 0 H GLN A 156 -12.524 3.440 -7.353 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.852 2.492 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.367 3.286 -8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.942 3.022 -8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.655 4.962 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -14.002 5.180 -7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -16.602 6.833 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -16.640 7.218 -9.249 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.740 0.734 -8.582 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.699 -0.529 -9.298 1.00 0.00 C ATOM 1118 C GLN A 157 -13.003 -1.653 -8.536 1.00 0.00 C ATOM 1119 O GLN A 157 -13.507 -2.775 -8.537 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.015 -0.290 -10.654 1.00 0.00 C ATOM 1121 CG GLN A 157 -13.785 0.665 -11.595 1.00 0.00 C ATOM 1122 CD GLN A 157 -14.813 -0.014 -12.504 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -15.142 -1.193 -12.364 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -15.336 0.709 -13.484 1.00 0.00 N ATOM 0 H GLN A 157 -13.212 1.461 -9.065 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.727 -0.869 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.019 0.116 -10.479 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -12.884 -1.249 -11.156 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.296 1.414 -10.990 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.065 1.196 -12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.063 1.685 -13.599 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.011 0.289 -14.123 1.00 0.00 H new ATOM 1133 N MET A 158 -11.844 -1.398 -7.929 1.00 0.00 N ATOM 1134 CA MET A 158 -11.106 -2.423 -7.186 1.00 0.00 C ATOM 1135 C MET A 158 -11.721 -2.745 -5.825 1.00 0.00 C ATOM 1136 O MET A 158 -11.528 -3.858 -5.331 1.00 0.00 O ATOM 1137 CB MET A 158 -9.643 -2.009 -6.977 1.00 0.00 C ATOM 1138 CG MET A 158 -8.878 -1.822 -8.289 1.00 0.00 C ATOM 1139 SD MET A 158 -8.881 -3.268 -9.376 1.00 0.00 S ATOM 1140 CE MET A 158 -8.267 -4.520 -8.237 1.00 0.00 C ATOM 0 H MET A 158 -11.392 -0.484 -7.937 1.00 0.00 H new ATOM 0 HA MET A 158 -11.162 -3.321 -7.802 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.613 -1.079 -6.410 1.00 0.00 H new ATOM 0 HB3 MET A 158 -9.140 -2.766 -6.375 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.308 -0.978 -8.828 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.846 -1.560 -8.058 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.890 -5.372 -8.802 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.462 -4.100 -7.634 1.00 0.00 H new ATOM 0 HE3 MET A 158 -9.077 -4.847 -7.585 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.467 -1.816 -5.225 1.00 0.00 N ATOM 1151 CA GLY A 159 -13.096 -2.001 -3.924 1.00 0.00 C ATOM 1152 C GLY A 159 -14.148 -3.101 -3.985 1.00 0.00 C ATOM 1153 O GLY A 159 -15.274 -2.875 -4.434 1.00 0.00 O ATOM 0 H GLY A 159 -12.652 -0.902 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -12.339 -2.256 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.557 -1.067 -3.602 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.780 -4.311 -3.559 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.640 -5.491 -3.552 1.00 0.00 C ATOM 1159 C GLY A 160 -14.070 -6.629 -4.402 1.00 0.00 C ATOM 1160 O GLY A 160 -14.629 -7.731 -4.388 1.00 0.00 O ATOM 0 H GLY A 160 -12.845 -4.500 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.771 -5.837 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.628 -5.221 -3.926 1.00 0.00 H new ATOM 1164 N GLN A 161 -13.012 -6.382 -5.181 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.376 -7.399 -6.008 1.00 0.00 C ATOM 1166 C GLN A 161 -11.532 -8.301 -5.104 1.00 0.00 C ATOM 1167 O GLN A 161 -11.461 -8.110 -3.887 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.500 -6.748 -7.101 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.294 -5.926 -8.124 1.00 0.00 C ATOM 1170 CD GLN A 161 -13.353 -6.767 -8.828 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -13.065 -7.555 -9.724 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -14.598 -6.665 -8.402 1.00 0.00 N ATOM 0 H GLN A 161 -12.574 -5.464 -5.252 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.139 -7.992 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -10.762 -6.103 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.950 -7.529 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -12.773 -5.085 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -11.611 -5.509 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -14.830 -6.008 -7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -15.328 -7.243 -8.818 1.00 0.00 H new ATOM 1181 N TRP A 162 -10.903 -9.305 -5.703 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.037 -10.263 -5.043 1.00 0.00 C ATOM 1183 C TRP A 162 -8.662 -10.179 -5.692 1.00 0.00 C ATOM 1184 O TRP A 162 -8.546 -9.725 -6.834 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.586 -11.684 -5.201 1.00 0.00 C ATOM 1186 CG TRP A 162 -11.897 -12.065 -4.571 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.084 -11.429 -4.697 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.180 -13.257 -3.784 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.084 -12.176 -4.106 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.578 -13.311 -3.514 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.393 -14.313 -3.287 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.159 -14.356 -2.783 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -11.963 -15.369 -2.559 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.345 -15.397 -2.307 1.00 0.00 C ATOM 0 H TRP A 162 -10.989 -9.477 -6.705 1.00 0.00 H new ATOM 0 HA TRP A 162 -9.980 -10.034 -3.979 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -10.673 -11.879 -6.270 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -9.831 -12.367 -4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.228 -10.478 -5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.071 -11.919 -4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.329 -14.311 -3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.221 -14.361 -2.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.335 -16.166 -2.190 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.779 -16.214 -1.750 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.627 -10.633 -4.988 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.271 -10.620 -5.504 1.00 0.00 C ATOM 1207 C LEU A 163 -5.507 -11.725 -4.772 1.00 0.00 C ATOM 1208 O LEU A 163 -5.589 -11.823 -3.544 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.650 -9.252 -5.200 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.227 -9.080 -5.750 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.247 -8.799 -7.248 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.584 -7.879 -5.073 1.00 0.00 C ATOM 0 H LEU A 163 -7.710 -11.018 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.240 -10.788 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.288 -8.473 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.632 -9.104 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.675 -10.000 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.226 -8.682 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.723 -9.630 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.807 -7.884 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.572 -7.745 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.172 -6.985 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.547 -8.045 -3.996 1.00 0.00 H new ATOM 1224 N GLY A 164 -4.796 -12.586 -5.500 1.00 0.00 N ATOM 1225 CA GLY A 164 -3.992 -13.685 -4.961 1.00 0.00 C ATOM 1226 C GLY A 164 -4.776 -14.846 -4.364 1.00 0.00 C ATOM 1227 O GLY A 164 -4.268 -15.969 -4.364 1.00 0.00 O ATOM 0 H GLY A 164 -4.762 -12.536 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.357 -14.071 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.331 -13.284 -4.193 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.000 -14.603 -3.899 1.00 0.00 N ATOM 1232 CA GLY A 165 -6.878 -15.590 -3.295 1.00 0.00 C ATOM 1233 C GLY A 165 -7.836 -15.004 -2.258 1.00 0.00 C ATOM 1234 O GLY A 165 -8.648 -15.763 -1.735 1.00 0.00 O ATOM 0 H GLY A 165 -6.419 -13.674 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.458 -16.076 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.272 -16.362 -2.822 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.786 -13.697 -1.945 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.684 -13.077 -0.958 1.00 0.00 C ATOM 1240 C ARG A 166 -9.204 -11.736 -1.460 1.00 0.00 C ATOM 1241 O ARG A 166 -8.583 -11.138 -2.338 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.915 -12.858 0.363 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.761 -14.158 1.162 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.704 -14.040 2.270 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.569 -15.302 3.022 1.00 0.00 N ATOM 1246 CZ ARG A 166 -6.141 -16.471 2.530 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -5.579 -16.552 1.329 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -6.320 -17.586 3.228 1.00 0.00 N ATOM 0 H ARG A 166 -7.125 -13.045 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.533 -13.742 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.929 -12.448 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.440 -12.120 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.720 -14.425 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.486 -14.967 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.743 -13.772 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -6.978 -13.236 2.952 1.00 0.00 H new ATOM 0 HE ARG A 166 -6.826 -15.282 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.466 -15.712 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -5.260 -17.454 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -6.783 -17.550 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -5.995 -18.478 2.856 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.347 -11.286 -0.932 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.939 -9.996 -1.280 1.00 0.00 C ATOM 1264 C GLN A 167 -10.006 -8.906 -0.756 1.00 0.00 C ATOM 1265 O GLN A 167 -9.339 -9.122 0.257 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.332 -9.801 -0.662 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.436 -10.299 -1.584 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.815 -9.836 -1.131 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.301 -10.223 -0.070 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.478 -9.011 -1.921 1.00 0.00 N ATOM 0 H GLN A 167 -10.889 -11.812 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 167 -11.059 -9.950 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.385 -10.332 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.489 -8.744 -0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.249 -9.943 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.414 -11.388 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.061 -8.699 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.407 -8.686 -1.654 1.00 0.00 H new ATOM 1279 N ILE A 168 -10.023 -7.729 -1.381 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.183 -6.598 -1.004 1.00 0.00 C ATOM 1281 C ILE A 168 -10.028 -5.346 -0.754 1.00 0.00 C ATOM 1282 O ILE A 168 -11.106 -5.185 -1.340 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.130 -6.343 -2.115 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.799 -5.952 -3.455 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.218 -7.567 -2.298 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.821 -5.427 -4.494 1.00 0.00 C ATOM 0 H ILE A 168 -10.631 -7.534 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.667 -6.835 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.515 -5.502 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.315 -6.822 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.557 -5.192 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.489 -7.363 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.697 -7.776 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.820 -8.431 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.361 -5.173 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.323 -4.538 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.077 -6.193 -4.714 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.532 -4.448 0.100 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.188 -3.175 0.431 1.00 0.00 C ATOM 1300 C ARG A 169 -9.408 -2.055 -0.255 1.00 0.00 C ATOM 1301 O ARG A 169 -8.181 -2.163 -0.303 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.275 -2.942 1.952 1.00 0.00 C ATOM 1303 CG ARG A 169 -8.944 -3.058 2.704 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.116 -2.878 4.212 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.869 -3.978 4.831 1.00 0.00 N ATOM 1306 CZ ARG A 169 -10.583 -3.911 5.957 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -10.713 -2.761 6.612 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -11.135 -5.026 6.416 1.00 0.00 N ATOM 0 H ARG A 169 -8.648 -4.585 0.591 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.218 -3.196 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.689 -1.949 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.977 -3.661 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.500 -4.033 2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.249 -2.308 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -8.134 -2.807 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -9.630 -1.937 4.405 1.00 0.00 H new ATOM 0 HE ARG A 169 -9.844 -4.879 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -10.265 -1.917 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -11.261 -2.723 7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -11.008 -5.903 5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -11.686 -5.006 7.274 1.00 0.00 H new ATOM 1322 N THR A 170 -10.059 -0.986 -0.720 1.00 0.00 N ATOM 1323 CA THR A 170 -9.383 0.133 -1.384 1.00 0.00 C ATOM 1324 C THR A 170 -9.983 1.458 -0.925 1.00 0.00 C ATOM 1325 O THR A 170 -11.192 1.649 -1.051 1.00 0.00 O ATOM 1326 CB THR A 170 -9.465 0.002 -2.914 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.793 -0.105 -3.361 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.752 -1.252 -3.411 1.00 0.00 C ATOM 0 H THR A 170 -11.070 -0.871 -0.647 1.00 0.00 H new ATOM 0 HA THR A 170 -8.330 0.109 -1.104 1.00 0.00 H new ATOM 0 HB THR A 170 -8.994 0.904 -3.304 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.390 0.338 -2.722 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.832 -1.310 -4.497 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.701 -1.210 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.214 -2.133 -2.966 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.176 2.376 -0.382 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.647 3.684 0.087 1.00 0.00 C ATOM 1338 C ASN A 171 -8.532 4.720 -0.076 1.00 0.00 C ATOM 1339 O ASN A 171 -7.389 4.369 -0.373 1.00 0.00 O ATOM 1340 CB ASN A 171 -10.036 3.641 1.584 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.964 2.505 2.001 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.544 1.591 2.705 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -12.228 2.537 1.620 1.00 0.00 N ATOM 0 H ASN A 171 -8.174 2.232 -0.255 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.522 3.950 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -9.122 3.573 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -10.513 4.587 1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -12.867 1.797 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -12.565 3.302 1.035 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.836 5.998 0.152 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.860 7.083 0.075 1.00 0.00 C ATOM 1352 C TRP A 172 -6.858 6.888 1.215 1.00 0.00 C ATOM 1353 O TRP A 172 -7.275 6.660 2.358 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.566 8.437 0.230 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.160 9.027 -1.012 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.396 9.569 -1.095 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.550 9.211 -2.333 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.587 10.094 -2.355 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.484 9.901 -3.156 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.311 8.884 -2.934 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.198 10.248 -4.480 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.042 9.171 -4.287 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -7.990 9.849 -5.070 1.00 0.00 C ATOM 0 H TRP A 172 -9.775 6.311 0.397 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.352 7.070 -0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.360 8.325 0.968 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.850 9.150 0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.123 9.588 -0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.439 10.567 -2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.550 8.401 -2.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -9.910 10.826 -5.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.102 8.868 -4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.792 10.060 -6.111 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.554 6.933 0.933 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.530 6.751 1.959 1.00 0.00 C ATOM 1376 C ALA A 173 -4.261 8.018 2.779 1.00 0.00 C ATOM 1377 O ALA A 173 -3.739 7.908 3.888 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.220 6.312 1.301 1.00 0.00 C ATOM 0 H ALA A 173 -5.183 7.095 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.908 5.991 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.456 6.176 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.376 5.371 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.894 7.075 0.594 1.00 0.00 H new