USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 102 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Set 1.2: A 147 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 2.1: A 76 SER OG : rot -121:sc= 0.294 USER MOD Set 2.2: A 80 CYS SG : rot -89:sc= 0.892 USER MOD Set 2.3: A 82 THR OG1 : rot 123:sc= 0.737 USER MOD Single : A 19 THR OG1 : rot -28:sc= 0.0289 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.788 X(o=0.79,f=0.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -175:sc= 0 (180deg=-0.00297) USER MOD Single : A 41 THR OG1 : rot -61:sc= 1.76 USER MOD Single : A 42 GLN : amide:sc= -0.0592 K(o=-0.059,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A 59 TYR OH : rot 177:sc= 0.308 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 65 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.4) USER MOD Single : A 73 SER OG : rot 40:sc= 0.991 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 1.57 K(o=1.6,f=-4.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 101:sc= 0.461 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 105 MET CE :methyl 170:sc= 0 (180deg=-0.218) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot 170:sc= -0.0174 USER MOD Single : A 145 ASN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.441 0.294 -11.832 1.00 0.00 N ATOM 234 CA THR A 19 6.868 1.536 -11.255 1.00 0.00 C ATOM 235 C THR A 19 5.359 1.472 -11.003 1.00 0.00 C ATOM 236 O THR A 19 4.751 2.464 -10.600 1.00 0.00 O ATOM 237 CB THR A 19 7.227 2.763 -12.107 1.00 0.00 C ATOM 238 OG1 THR A 19 6.651 2.642 -13.390 1.00 0.00 O ATOM 239 CG2 THR A 19 8.736 2.940 -12.279 1.00 0.00 C ATOM 0 HA THR A 19 7.330 1.637 -10.273 1.00 0.00 H new ATOM 0 HB THR A 19 6.836 3.633 -11.579 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.550 1.694 -13.615 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.932 3.822 -12.889 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.201 3.065 -11.301 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.152 2.060 -12.769 1.00 0.00 H new ATOM 247 N LYS A 20 4.763 0.297 -11.219 1.00 0.00 N ATOM 248 CA LYS A 20 3.334 0.000 -11.063 1.00 0.00 C ATOM 249 C LYS A 20 3.134 -1.149 -10.053 1.00 0.00 C ATOM 250 O LYS A 20 3.814 -2.175 -10.140 1.00 0.00 O ATOM 251 CB LYS A 20 2.757 -0.350 -12.450 1.00 0.00 C ATOM 252 CG LYS A 20 1.240 -0.149 -12.551 1.00 0.00 C ATOM 253 CD LYS A 20 0.869 1.152 -13.283 1.00 0.00 C ATOM 254 CE LYS A 20 1.134 1.103 -14.799 1.00 0.00 C ATOM 255 NZ LYS A 20 0.149 0.263 -15.537 1.00 0.00 N ATOM 0 H LYS A 20 5.293 -0.519 -11.525 1.00 0.00 H new ATOM 0 HA LYS A 20 2.805 0.867 -10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.248 0.265 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.994 -1.388 -12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.798 -0.996 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.811 -0.134 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.186 1.366 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.435 1.977 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.110 2.117 -15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.137 0.715 -14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.379 0.269 -16.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.187 -0.713 -15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.808 0.646 -15.397 1.00 0.00 H new ATOM 269 N PHE A 21 2.207 -0.993 -9.103 1.00 0.00 N ATOM 270 CA PHE A 21 2.030 -1.894 -7.957 1.00 0.00 C ATOM 271 C PHE A 21 0.546 -2.101 -7.633 1.00 0.00 C ATOM 272 O PHE A 21 -0.203 -1.140 -7.477 1.00 0.00 O ATOM 273 CB PHE A 21 2.752 -1.303 -6.731 1.00 0.00 C ATOM 274 CG PHE A 21 4.261 -1.176 -6.854 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.091 -2.238 -6.446 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.840 0.010 -7.348 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.491 -2.113 -6.519 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.239 0.131 -7.426 1.00 0.00 C ATOM 279 CZ PHE A 21 7.065 -0.926 -7.007 1.00 0.00 C ATOM 0 H PHE A 21 1.543 -0.219 -9.108 1.00 0.00 H new ATOM 0 HA PHE A 21 2.456 -2.864 -8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.338 -0.315 -6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.527 -1.926 -5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.651 -3.152 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.209 0.826 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.124 -2.928 -6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.680 1.039 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.139 -0.827 -7.060 1.00 0.00 H new ATOM 289 N LYS A 22 0.112 -3.356 -7.477 1.00 0.00 N ATOM 290 CA LYS A 22 -1.221 -3.667 -6.945 1.00 0.00 C ATOM 291 C LYS A 22 -1.302 -3.276 -5.454 1.00 0.00 C ATOM 292 O LYS A 22 -0.399 -3.598 -4.680 1.00 0.00 O ATOM 293 CB LYS A 22 -1.538 -5.163 -7.147 1.00 0.00 C ATOM 294 CG LYS A 22 -1.517 -5.666 -8.604 1.00 0.00 C ATOM 295 CD LYS A 22 -2.515 -4.936 -9.520 1.00 0.00 C ATOM 296 CE LYS A 22 -2.616 -5.514 -10.943 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.232 -6.869 -10.963 1.00 0.00 N ATOM 0 H LYS A 22 0.668 -4.178 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.967 -3.087 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.820 -5.747 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.523 -5.365 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.511 -5.546 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.739 -6.733 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.502 -4.966 -9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.227 -3.887 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.206 -4.841 -11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.620 -5.564 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.278 -7.215 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.656 -7.521 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.193 -6.819 -10.568 1.00 0.00 H new ATOM 311 N VAL A 23 -2.374 -2.589 -5.059 1.00 0.00 N ATOM 312 CA VAL A 23 -2.602 -2.059 -3.696 1.00 0.00 C ATOM 313 C VAL A 23 -4.065 -2.252 -3.279 1.00 0.00 C ATOM 314 O VAL A 23 -4.932 -2.398 -4.139 1.00 0.00 O ATOM 315 CB VAL A 23 -2.211 -0.565 -3.570 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.697 -0.348 -3.727 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.978 0.348 -4.544 1.00 0.00 C ATOM 0 H VAL A 23 -3.141 -2.373 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.956 -2.626 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.501 -0.280 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.470 0.714 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.168 -0.904 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.379 -0.700 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.657 1.380 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.773 0.040 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.048 0.271 -4.349 1.00 0.00 H new ATOM 327 N THR A 24 -4.342 -2.226 -1.969 1.00 0.00 N ATOM 328 CA THR A 24 -5.705 -2.261 -1.411 1.00 0.00 C ATOM 329 C THR A 24 -5.793 -1.295 -0.244 1.00 0.00 C ATOM 330 O THR A 24 -5.047 -1.434 0.718 1.00 0.00 O ATOM 331 CB THR A 24 -6.086 -3.687 -0.988 1.00 0.00 C ATOM 332 OG1 THR A 24 -6.087 -4.510 -2.134 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.495 -3.770 -0.401 1.00 0.00 C ATOM 0 H THR A 24 -3.616 -2.179 -1.254 1.00 0.00 H new ATOM 0 HA THR A 24 -6.417 -1.952 -2.177 1.00 0.00 H new ATOM 0 HB THR A 24 -5.363 -3.999 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.327 -5.425 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.712 -4.800 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.560 -3.131 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.219 -3.437 -1.145 1.00 0.00 H new ATOM 341 N ASN A 25 -6.688 -0.311 -0.328 1.00 0.00 N ATOM 342 CA ASN A 25 -6.899 0.681 0.731 1.00 0.00 C ATOM 343 C ASN A 25 -7.535 0.030 1.974 1.00 0.00 C ATOM 344 O ASN A 25 -8.416 -0.824 1.835 1.00 0.00 O ATOM 345 CB ASN A 25 -7.766 1.826 0.187 1.00 0.00 C ATOM 346 CG ASN A 25 -7.880 2.975 1.186 1.00 0.00 C ATOM 347 OD1 ASN A 25 -8.893 3.150 1.846 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.848 3.780 1.348 1.00 0.00 N ATOM 0 H ASN A 25 -7.293 -0.177 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.937 1.089 1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.337 2.196 -0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.761 1.448 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.898 4.544 2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.000 3.638 0.800 1.00 0.00 H new ATOM 355 N VAL A 26 -7.098 0.430 3.174 1.00 0.00 N ATOM 356 CA VAL A 26 -7.525 -0.188 4.443 1.00 0.00 C ATOM 357 C VAL A 26 -7.780 0.829 5.560 1.00 0.00 C ATOM 358 O VAL A 26 -7.245 1.938 5.552 1.00 0.00 O ATOM 359 CB VAL A 26 -6.532 -1.264 4.941 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.418 -2.451 3.974 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.120 -0.719 5.224 1.00 0.00 C ATOM 0 H VAL A 26 -6.435 1.195 3.297 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.474 -0.668 4.207 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.961 -1.603 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.708 -3.177 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.394 -2.923 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.070 -2.097 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.479 -1.530 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.705 -0.292 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.175 0.052 5.992 1.00 0.00 H new ATOM 371 N ASP A 27 -8.594 0.413 6.533 1.00 0.00 N ATOM 372 CA ASP A 27 -8.853 1.116 7.793 1.00 0.00 C ATOM 373 C ASP A 27 -7.808 0.778 8.886 1.00 0.00 C ATOM 374 O ASP A 27 -6.821 0.083 8.639 1.00 0.00 O ATOM 375 CB ASP A 27 -10.281 0.767 8.254 1.00 0.00 C ATOM 376 CG ASP A 27 -10.338 -0.563 9.019 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.900 -1.601 8.469 1.00 0.00 O ATOM 378 OD2 ASP A 27 -10.752 -0.542 10.200 1.00 0.00 O ATOM 0 H ASP A 27 -9.114 -0.462 6.462 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.765 2.189 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.660 1.566 8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.938 0.712 7.386 1.00 0.00 H new ATOM 383 N ASP A 28 -8.047 1.233 10.122 1.00 0.00 N ATOM 384 CA ASP A 28 -7.174 0.984 11.279 1.00 0.00 C ATOM 385 C ASP A 28 -7.100 -0.502 11.703 1.00 0.00 C ATOM 386 O ASP A 28 -6.073 -0.934 12.227 1.00 0.00 O ATOM 387 CB ASP A 28 -7.654 1.862 12.445 1.00 0.00 C ATOM 388 CG ASP A 28 -6.686 1.831 13.641 1.00 0.00 C ATOM 389 OD1 ASP A 28 -5.535 2.310 13.495 1.00 0.00 O ATOM 390 OD2 ASP A 28 -7.092 1.364 14.733 1.00 0.00 O ATOM 0 H ASP A 28 -8.867 1.795 10.352 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.157 1.245 10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.767 2.890 12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.638 1.524 12.769 1.00 0.00 H new ATOM 395 N GLU A 29 -8.144 -1.298 11.430 1.00 0.00 N ATOM 396 CA GLU A 29 -8.163 -2.752 11.659 1.00 0.00 C ATOM 397 C GLU A 29 -7.604 -3.559 10.467 1.00 0.00 C ATOM 398 O GLU A 29 -7.491 -4.785 10.550 1.00 0.00 O ATOM 399 CB GLU A 29 -9.593 -3.224 11.993 1.00 0.00 C ATOM 400 CG GLU A 29 -10.136 -2.689 13.325 1.00 0.00 C ATOM 401 CD GLU A 29 -9.445 -3.345 14.533 1.00 0.00 C ATOM 402 OE1 GLU A 29 -9.779 -4.507 14.867 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.579 -2.702 15.172 1.00 0.00 O ATOM 0 H GLU A 29 -9.016 -0.944 11.036 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.505 -2.942 12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.262 -2.915 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.607 -4.314 12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.993 -1.609 13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.209 -2.871 13.378 1.00 0.00 H new ATOM 410 N GLY A 30 -7.236 -2.900 9.357 1.00 0.00 N ATOM 411 CA GLY A 30 -6.629 -3.536 8.183 1.00 0.00 C ATOM 412 C GLY A 30 -7.627 -4.231 7.249 1.00 0.00 C ATOM 413 O GLY A 30 -7.209 -5.075 6.457 1.00 0.00 O ATOM 0 H GLY A 30 -7.355 -1.893 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.086 -2.780 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.896 -4.269 8.521 1.00 0.00 H new ATOM 417 N VAL A 31 -8.919 -3.910 7.330 1.00 0.00 N ATOM 418 CA VAL A 31 -9.985 -4.515 6.510 1.00 0.00 C ATOM 419 C VAL A 31 -9.870 -4.010 5.070 1.00 0.00 C ATOM 420 O VAL A 31 -9.774 -2.807 4.845 1.00 0.00 O ATOM 421 CB VAL A 31 -11.395 -4.203 7.072 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.503 -4.869 6.235 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.532 -4.687 8.527 1.00 0.00 C ATOM 0 H VAL A 31 -9.268 -3.206 7.981 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.856 -5.597 6.536 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.511 -3.120 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.476 -4.626 6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.454 -4.503 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.364 -5.950 6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.531 -4.455 8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.371 -5.764 8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.791 -4.185 9.149 1.00 0.00 H new ATOM 433 N GLU A 32 -9.888 -4.931 4.103 1.00 0.00 N ATOM 434 CA GLU A 32 -9.807 -4.633 2.668 1.00 0.00 C ATOM 435 C GLU A 32 -11.071 -3.891 2.193 1.00 0.00 C ATOM 436 O GLU A 32 -12.164 -4.466 2.177 1.00 0.00 O ATOM 437 CB GLU A 32 -9.630 -5.942 1.877 1.00 0.00 C ATOM 438 CG GLU A 32 -8.291 -6.638 2.160 1.00 0.00 C ATOM 439 CD GLU A 32 -8.217 -7.992 1.441 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.653 -9.013 2.022 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.720 -8.049 0.290 1.00 0.00 O ATOM 0 H GLU A 32 -9.961 -5.929 4.299 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.947 -3.987 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.446 -6.622 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.704 -5.728 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.469 -6.002 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.172 -6.784 3.234 1.00 0.00 H new ATOM 448 N LEU A 33 -10.926 -2.618 1.803 1.00 0.00 N ATOM 449 CA LEU A 33 -12.048 -1.754 1.407 1.00 0.00 C ATOM 450 C LEU A 33 -12.238 -1.723 -0.113 1.00 0.00 C ATOM 451 O LEU A 33 -13.332 -1.994 -0.611 1.00 0.00 O ATOM 452 CB LEU A 33 -11.821 -0.329 1.950 1.00 0.00 C ATOM 453 CG LEU A 33 -11.610 -0.235 3.473 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.376 1.227 3.854 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.785 -0.814 4.271 1.00 0.00 C ATOM 0 H LEU A 33 -10.019 -2.154 1.753 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.960 -2.168 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.951 0.099 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.678 0.287 1.679 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.738 -0.837 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.226 1.303 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.492 1.601 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.243 1.821 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.581 -0.721 5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.696 -0.267 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.914 -1.866 4.017 1.00 0.00 H new ATOM 467 N GLY A 34 -11.164 -1.405 -0.840 1.00 0.00 N ATOM 468 CA GLY A 34 -11.123 -1.390 -2.306 1.00 0.00 C ATOM 469 C GLY A 34 -9.716 -1.594 -2.857 1.00 0.00 C ATOM 470 O GLY A 34 -8.761 -0.977 -2.385 1.00 0.00 O ATOM 0 H GLY A 34 -10.275 -1.144 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.777 -2.172 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.516 -0.439 -2.667 1.00 0.00 H new ATOM 474 N SER A 35 -9.590 -2.449 -3.868 1.00 0.00 N ATOM 475 CA SER A 35 -8.336 -2.712 -4.587 1.00 0.00 C ATOM 476 C SER A 35 -8.098 -1.714 -5.738 1.00 0.00 C ATOM 477 O SER A 35 -9.031 -1.114 -6.286 1.00 0.00 O ATOM 478 CB SER A 35 -8.316 -4.167 -5.080 1.00 0.00 C ATOM 479 OG SER A 35 -9.446 -4.477 -5.889 1.00 0.00 O ATOM 0 H SER A 35 -10.375 -2.995 -4.223 1.00 0.00 H new ATOM 0 HA SER A 35 -7.510 -2.567 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.404 -4.343 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.290 -4.839 -4.222 1.00 0.00 H new ATOM 0 HG SER A 35 -9.392 -5.411 -6.182 1.00 0.00 H new ATOM 485 N GLY A 36 -6.825 -1.511 -6.095 1.00 0.00 N ATOM 486 CA GLY A 36 -6.368 -0.518 -7.070 1.00 0.00 C ATOM 487 C GLY A 36 -4.957 -0.772 -7.588 1.00 0.00 C ATOM 488 O GLY A 36 -4.237 -1.639 -7.082 1.00 0.00 O ATOM 0 H GLY A 36 -6.058 -2.054 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.058 -0.506 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.405 0.471 -6.613 1.00 0.00 H new ATOM 492 N VAL A 37 -4.559 0.018 -8.585 1.00 0.00 N ATOM 493 CA VAL A 37 -3.225 -0.028 -9.198 1.00 0.00 C ATOM 494 C VAL A 37 -2.520 1.306 -8.945 1.00 0.00 C ATOM 495 O VAL A 37 -2.869 2.331 -9.528 1.00 0.00 O ATOM 496 CB VAL A 37 -3.302 -0.339 -10.712 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.887 -0.473 -11.291 1.00 0.00 C ATOM 498 CG2 VAL A 37 -4.100 -1.621 -11.005 1.00 0.00 C ATOM 0 H VAL A 37 -5.166 0.725 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.653 -0.836 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.825 0.492 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.949 -0.692 -12.357 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.344 0.460 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.362 -1.283 -10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.125 -1.796 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.623 -2.467 -10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.118 -1.509 -10.632 1.00 0.00 H new ATOM 508 N MET A 38 -1.513 1.288 -8.073 1.00 0.00 N ATOM 509 CA MET A 38 -0.681 2.445 -7.750 1.00 0.00 C ATOM 510 C MET A 38 0.424 2.611 -8.797 1.00 0.00 C ATOM 511 O MET A 38 1.022 1.638 -9.253 1.00 0.00 O ATOM 512 CB MET A 38 -0.137 2.291 -6.324 1.00 0.00 C ATOM 513 CG MET A 38 0.556 3.564 -5.830 1.00 0.00 C ATOM 514 SD MET A 38 0.979 3.553 -4.067 1.00 0.00 S ATOM 515 CE MET A 38 -0.644 3.917 -3.347 1.00 0.00 C ATOM 0 H MET A 38 -1.247 0.448 -7.559 1.00 0.00 H new ATOM 0 HA MET A 38 -1.273 3.360 -7.779 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.956 2.040 -5.650 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.568 1.460 -6.293 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.467 3.714 -6.409 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.093 4.417 -6.030 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.545 4.035 -2.268 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.035 4.839 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.329 3.097 -3.561 1.00 0.00 H new ATOM 525 N GLU A 39 0.682 3.857 -9.176 1.00 0.00 N ATOM 526 CA GLU A 39 1.629 4.259 -10.211 1.00 0.00 C ATOM 527 C GLU A 39 2.426 5.476 -9.727 1.00 0.00 C ATOM 528 O GLU A 39 1.860 6.521 -9.392 1.00 0.00 O ATOM 529 CB GLU A 39 0.837 4.564 -11.492 1.00 0.00 C ATOM 530 CG GLU A 39 1.726 5.035 -12.648 1.00 0.00 C ATOM 531 CD GLU A 39 0.905 5.212 -13.933 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.044 6.028 -13.940 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.203 4.526 -14.938 1.00 0.00 O ATOM 0 H GLU A 39 0.213 4.655 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 39 2.344 3.464 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.295 3.670 -11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.092 5.331 -11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.203 5.979 -12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.523 4.311 -12.818 1.00 0.00 H new ATOM 540 N LEU A 40 3.753 5.352 -9.704 1.00 0.00 N ATOM 541 CA LEU A 40 4.662 6.426 -9.303 1.00 0.00 C ATOM 542 C LEU A 40 5.335 6.985 -10.564 1.00 0.00 C ATOM 543 O LEU A 40 6.215 6.341 -11.141 1.00 0.00 O ATOM 544 CB LEU A 40 5.669 5.898 -8.260 1.00 0.00 C ATOM 545 CG LEU A 40 5.166 5.926 -6.801 1.00 0.00 C ATOM 546 CD1 LEU A 40 4.091 4.876 -6.495 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.336 5.710 -5.836 1.00 0.00 C ATOM 0 H LEU A 40 4.233 4.491 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 40 4.123 7.242 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.934 4.873 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.582 6.489 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 40 4.714 6.908 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.789 4.959 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.226 5.042 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.493 3.880 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.970 5.732 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.799 4.744 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.073 6.501 -5.975 1.00 0.00 H new ATOM 559 N THR A 41 4.892 8.172 -11.005 1.00 0.00 N ATOM 560 CA THR A 41 5.406 8.852 -12.209 1.00 0.00 C ATOM 561 C THR A 41 6.561 9.778 -11.848 1.00 0.00 C ATOM 562 O THR A 41 6.798 10.062 -10.675 1.00 0.00 O ATOM 563 CB THR A 41 4.310 9.623 -12.963 1.00 0.00 C ATOM 564 OG1 THR A 41 3.993 10.809 -12.275 1.00 0.00 O ATOM 565 CG2 THR A 41 3.029 8.816 -13.185 1.00 0.00 C ATOM 0 H THR A 41 4.157 8.696 -10.531 1.00 0.00 H new ATOM 0 HA THR A 41 5.769 8.076 -12.883 1.00 0.00 H new ATOM 0 HB THR A 41 4.723 9.843 -13.948 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.650 10.589 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.303 9.426 -13.723 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.257 7.924 -13.769 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.613 8.522 -12.222 1.00 0.00 H new ATOM 573 N GLN A 42 7.246 10.307 -12.855 1.00 0.00 N ATOM 574 CA GLN A 42 8.300 11.312 -12.694 1.00 0.00 C ATOM 575 C GLN A 42 7.749 12.703 -12.303 1.00 0.00 C ATOM 576 O GLN A 42 8.530 13.614 -12.037 1.00 0.00 O ATOM 577 CB GLN A 42 9.146 11.388 -13.982 1.00 0.00 C ATOM 578 CG GLN A 42 9.911 10.095 -14.340 1.00 0.00 C ATOM 579 CD GLN A 42 9.049 8.945 -14.880 1.00 0.00 C ATOM 580 OE1 GLN A 42 7.931 9.117 -15.352 1.00 0.00 O ATOM 581 NE2 GLN A 42 9.525 7.718 -14.814 1.00 0.00 N ATOM 0 H GLN A 42 7.084 10.047 -13.828 1.00 0.00 H new ATOM 0 HA GLN A 42 8.933 10.997 -11.864 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.491 11.646 -14.814 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.865 12.200 -13.879 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.670 10.337 -15.084 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.436 9.746 -13.451 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.453 7.551 -14.425 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.965 6.935 -15.152 1.00 0.00 H new ATOM 590 N SER A 43 6.421 12.880 -12.242 1.00 0.00 N ATOM 591 CA SER A 43 5.768 14.168 -11.936 1.00 0.00 C ATOM 592 C SER A 43 4.975 14.156 -10.617 1.00 0.00 C ATOM 593 O SER A 43 4.945 15.169 -9.913 1.00 0.00 O ATOM 594 CB SER A 43 4.813 14.553 -13.080 1.00 0.00 C ATOM 595 OG SER A 43 5.500 14.710 -14.318 1.00 0.00 O ATOM 0 H SER A 43 5.758 12.123 -12.406 1.00 0.00 H new ATOM 0 HA SER A 43 6.571 14.898 -11.828 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.046 13.786 -13.186 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.302 15.482 -12.828 1.00 0.00 H new ATOM 0 HG SER A 43 4.860 14.952 -15.019 1.00 0.00 H new ATOM 601 N GLU A 44 4.331 13.034 -10.274 1.00 0.00 N ATOM 602 CA GLU A 44 3.408 12.890 -9.141 1.00 0.00 C ATOM 603 C GLU A 44 3.055 11.422 -8.851 1.00 0.00 C ATOM 604 O GLU A 44 3.220 10.538 -9.703 1.00 0.00 O ATOM 605 CB GLU A 44 2.130 13.728 -9.362 1.00 0.00 C ATOM 606 CG GLU A 44 1.295 13.330 -10.587 1.00 0.00 C ATOM 607 CD GLU A 44 0.179 14.349 -10.876 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.385 14.946 -9.929 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.161 14.535 -12.068 1.00 0.00 O ATOM 0 H GLU A 44 4.443 12.167 -10.799 1.00 0.00 H new ATOM 0 HA GLU A 44 3.927 13.270 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.504 13.649 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.414 14.776 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.945 13.247 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.855 12.346 -10.422 1.00 0.00 H new ATOM 616 N LEU A 45 2.514 11.165 -7.659 1.00 0.00 N ATOM 617 CA LEU A 45 1.955 9.868 -7.287 1.00 0.00 C ATOM 618 C LEU A 45 0.556 9.755 -7.914 1.00 0.00 C ATOM 619 O LEU A 45 -0.225 10.706 -7.840 1.00 0.00 O ATOM 620 CB LEU A 45 1.894 9.762 -5.743 1.00 0.00 C ATOM 621 CG LEU A 45 2.298 8.390 -5.166 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.037 8.352 -3.656 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.568 7.226 -5.842 1.00 0.00 C ATOM 0 H LEU A 45 2.452 11.862 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 45 2.576 9.050 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.545 10.525 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.879 9.991 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 45 3.363 8.267 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.326 7.378 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.622 9.131 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.977 8.520 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.891 6.285 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.493 7.342 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.799 7.221 -6.907 1.00 0.00 H new ATOM 635 N VAL A 46 0.224 8.614 -8.512 1.00 0.00 N ATOM 636 CA VAL A 46 -1.078 8.335 -9.140 1.00 0.00 C ATOM 637 C VAL A 46 -1.602 6.992 -8.619 1.00 0.00 C ATOM 638 O VAL A 46 -0.827 6.080 -8.329 1.00 0.00 O ATOM 639 CB VAL A 46 -0.959 8.336 -10.686 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.325 8.122 -11.365 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.344 9.644 -11.220 1.00 0.00 C ATOM 0 H VAL A 46 0.871 7.828 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.787 9.120 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.298 7.505 -10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.198 8.129 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.739 7.163 -11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.005 8.922 -11.074 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.280 9.599 -12.307 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.971 10.487 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.655 9.773 -10.803 1.00 0.00 H new ATOM 651 N LEU A 47 -2.921 6.853 -8.488 1.00 0.00 N ATOM 652 CA LEU A 47 -3.575 5.624 -8.048 1.00 0.00 C ATOM 653 C LEU A 47 -4.871 5.426 -8.838 1.00 0.00 C ATOM 654 O LEU A 47 -5.844 6.165 -8.681 1.00 0.00 O ATOM 655 CB LEU A 47 -3.782 5.675 -6.520 1.00 0.00 C ATOM 656 CG LEU A 47 -3.780 4.308 -5.806 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.216 4.495 -4.349 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.674 3.253 -6.468 1.00 0.00 C ATOM 0 H LEU A 47 -3.577 7.608 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.952 4.753 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.998 6.294 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.731 6.171 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.759 3.932 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.215 3.530 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.523 5.170 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.220 4.919 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.616 2.322 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.705 3.606 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.337 3.080 -7.490 1.00 0.00 H new ATOM 670 N HIS A 48 -4.859 4.418 -9.704 1.00 0.00 N ATOM 671 CA HIS A 48 -5.973 3.998 -10.545 1.00 0.00 C ATOM 672 C HIS A 48 -6.908 3.044 -9.778 1.00 0.00 C ATOM 673 O HIS A 48 -6.454 2.059 -9.180 1.00 0.00 O ATOM 674 CB HIS A 48 -5.394 3.334 -11.803 1.00 0.00 C ATOM 675 CG HIS A 48 -4.500 4.245 -12.605 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.939 5.234 -13.488 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.135 4.257 -12.563 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.822 5.818 -13.956 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.725 5.254 -13.421 1.00 0.00 N ATOM 0 H HIS A 48 -4.029 3.843 -9.845 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.576 4.859 -10.834 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.829 2.449 -11.510 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.214 2.994 -12.435 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.501 3.612 -11.973 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.808 6.631 -14.667 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.759 5.518 -13.616 1.00 0.00 H new ATOM 687 N LEU A 49 -8.209 3.339 -9.803 1.00 0.00 N ATOM 688 CA LEU A 49 -9.269 2.640 -9.068 1.00 0.00 C ATOM 689 C LEU A 49 -10.395 2.233 -10.035 1.00 0.00 C ATOM 690 O LEU A 49 -10.536 2.808 -11.115 1.00 0.00 O ATOM 691 CB LEU A 49 -9.787 3.570 -7.944 1.00 0.00 C ATOM 692 CG LEU A 49 -8.758 3.916 -6.845 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.298 5.016 -5.923 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.406 2.687 -5.996 1.00 0.00 C ATOM 0 H LEU A 49 -8.572 4.110 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.883 1.727 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.137 4.498 -8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.650 3.099 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.858 4.267 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.557 5.244 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.503 5.913 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.218 4.674 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.680 2.968 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.307 2.306 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.980 1.913 -6.635 1.00 0.00 H new ATOM 786 N ALA A 54 -9.424 7.777 -10.996 1.00 0.00 N ATOM 787 CA ALA A 54 -8.010 7.754 -10.608 1.00 0.00 C ATOM 788 C ALA A 54 -7.648 8.988 -9.753 1.00 0.00 C ATOM 789 O ALA A 54 -8.012 10.115 -10.099 1.00 0.00 O ATOM 790 CB ALA A 54 -7.141 7.647 -11.868 1.00 0.00 C ATOM 0 HA ALA A 54 -7.818 6.881 -9.984 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.089 7.630 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.388 6.730 -12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.328 8.505 -12.513 1.00 0.00 H new ATOM 796 N VAL A 55 -6.926 8.775 -8.650 1.00 0.00 N ATOM 797 CA VAL A 55 -6.595 9.807 -7.647 1.00 0.00 C ATOM 798 C VAL A 55 -5.097 10.106 -7.686 1.00 0.00 C ATOM 799 O VAL A 55 -4.279 9.196 -7.581 1.00 0.00 O ATOM 800 CB VAL A 55 -7.019 9.383 -6.218 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.665 10.463 -5.183 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.533 9.133 -6.136 1.00 0.00 C ATOM 0 H VAL A 55 -6.543 7.859 -8.418 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.155 10.708 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.475 8.464 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.976 10.133 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.588 10.632 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.179 11.391 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.798 8.837 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.067 10.046 -6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.809 8.338 -6.829 1.00 0.00 H new ATOM 812 N ARG A 56 -4.750 11.389 -7.826 1.00 0.00 N ATOM 813 CA ARG A 56 -3.376 11.883 -7.903 1.00 0.00 C ATOM 814 C ARG A 56 -2.986 12.700 -6.665 1.00 0.00 C ATOM 815 O ARG A 56 -3.810 13.442 -6.123 1.00 0.00 O ATOM 816 CB ARG A 56 -3.221 12.767 -9.146 1.00 0.00 C ATOM 817 CG ARG A 56 -3.625 12.072 -10.455 1.00 0.00 C ATOM 818 CD ARG A 56 -3.270 12.986 -11.626 1.00 0.00 C ATOM 819 NE ARG A 56 -3.469 12.326 -12.925 1.00 0.00 N ATOM 820 CZ ARG A 56 -2.754 12.515 -14.032 1.00 0.00 C ATOM 821 NH1 ARG A 56 -1.688 13.299 -14.070 1.00 0.00 N ATOM 822 NH2 ARG A 56 -3.104 11.911 -15.140 1.00 0.00 N ATOM 0 H ARG A 56 -5.442 12.135 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.719 11.015 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.827 13.664 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.183 13.091 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.108 11.117 -10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.694 11.857 -10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.882 13.887 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.231 13.302 -11.536 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.234 11.654 -12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.384 13.788 -13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.170 13.414 -14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.920 11.300 -15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.560 12.052 -15.991 1.00 0.00 H new ATOM 836 N TRP A 57 -1.707 12.627 -6.288 1.00 0.00 N ATOM 837 CA TRP A 57 -1.081 13.419 -5.227 1.00 0.00 C ATOM 838 C TRP A 57 0.317 13.909 -5.668 1.00 0.00 C ATOM 839 O TRP A 57 1.217 13.077 -5.816 1.00 0.00 O ATOM 840 CB TRP A 57 -0.982 12.581 -3.945 1.00 0.00 C ATOM 841 CG TRP A 57 -2.271 12.098 -3.350 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.143 12.857 -2.652 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.848 10.756 -3.376 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.195 12.078 -2.212 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.047 10.764 -2.599 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.480 9.531 -3.975 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.812 9.607 -2.387 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.254 8.372 -3.787 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.414 8.403 -2.993 1.00 0.00 C ATOM 0 H TRP A 57 -1.051 11.986 -6.734 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.698 14.296 -5.028 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.358 11.712 -4.155 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.461 13.173 -3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.034 13.915 -2.466 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.983 12.431 -1.669 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.591 9.484 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.695 9.641 -1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.954 7.448 -4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.997 7.505 -2.849 1.00 0.00 H new ATOM 860 N PRO A 58 0.532 15.225 -5.880 1.00 0.00 N ATOM 861 CA PRO A 58 1.840 15.762 -6.242 1.00 0.00 C ATOM 862 C PRO A 58 2.810 15.637 -5.070 1.00 0.00 C ATOM 863 O PRO A 58 2.456 15.892 -3.921 1.00 0.00 O ATOM 864 CB PRO A 58 1.609 17.218 -6.653 1.00 0.00 C ATOM 865 CG PRO A 58 0.305 17.604 -5.959 1.00 0.00 C ATOM 866 CD PRO A 58 -0.463 16.289 -5.830 1.00 0.00 C ATOM 0 HA PRO A 58 2.293 15.210 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.433 17.857 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.528 17.318 -7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.492 18.052 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.254 18.335 -6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.021 16.255 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.188 16.182 -6.637 1.00 0.00 H new ATOM 874 N TYR A 59 4.057 15.264 -5.371 1.00 0.00 N ATOM 875 CA TYR A 59 5.088 14.996 -4.362 1.00 0.00 C ATOM 876 C TYR A 59 5.438 16.242 -3.533 1.00 0.00 C ATOM 877 O TYR A 59 5.778 16.134 -2.354 1.00 0.00 O ATOM 878 CB TYR A 59 6.339 14.437 -5.061 1.00 0.00 C ATOM 879 CG TYR A 59 6.148 13.138 -5.828 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.492 12.049 -5.226 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.652 13.000 -7.137 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.332 10.838 -5.921 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.498 11.787 -7.837 1.00 0.00 C ATOM 884 CZ TYR A 59 5.834 10.696 -7.229 1.00 0.00 C ATOM 885 OH TYR A 59 5.647 9.517 -7.885 1.00 0.00 O ATOM 0 H TYR A 59 4.383 15.138 -6.329 1.00 0.00 H new ATOM 0 HA TYR A 59 4.694 14.262 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.713 15.192 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.113 14.282 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.108 12.144 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.160 13.830 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.821 10.012 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.888 11.690 -8.840 1.00 0.00 H new ATOM 0 HH TYR A 59 6.006 9.588 -8.794 1.00 0.00 H new ATOM 895 N LEU A 60 5.258 17.428 -4.119 1.00 0.00 N ATOM 896 CA LEU A 60 5.410 18.726 -3.456 1.00 0.00 C ATOM 897 C LEU A 60 4.280 19.066 -2.463 1.00 0.00 C ATOM 898 O LEU A 60 4.476 19.938 -1.615 1.00 0.00 O ATOM 899 CB LEU A 60 5.686 19.840 -4.481 1.00 0.00 C ATOM 900 CG LEU A 60 4.669 19.924 -5.635 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.421 21.386 -6.023 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.167 19.150 -6.867 1.00 0.00 C ATOM 0 H LEU A 60 4.994 17.514 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 60 6.291 18.647 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.703 20.797 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.680 19.689 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 60 3.738 19.475 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.700 21.428 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.028 21.929 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.358 21.842 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.430 19.226 -7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.113 19.573 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.311 18.102 -6.604 1.00 0.00 H new ATOM 914 N CYS A 61 3.143 18.354 -2.502 1.00 0.00 N ATOM 915 CA CYS A 61 2.083 18.428 -1.479 1.00 0.00 C ATOM 916 C CYS A 61 2.077 17.240 -0.490 1.00 0.00 C ATOM 917 O CYS A 61 1.258 17.223 0.431 1.00 0.00 O ATOM 918 CB CYS A 61 0.720 18.601 -2.165 1.00 0.00 C ATOM 919 SG CYS A 61 0.676 20.176 -3.075 1.00 0.00 S ATOM 0 H CYS A 61 2.929 17.700 -3.255 1.00 0.00 H new ATOM 0 HA CYS A 61 2.296 19.300 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.540 17.771 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.076 18.579 -1.421 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.480 20.311 -3.653 1.00 0.00 H new ATOM 925 N LEU A 62 2.986 16.263 -0.641 1.00 0.00 N ATOM 926 CA LEU A 62 3.213 15.217 0.362 1.00 0.00 C ATOM 927 C LEU A 62 4.157 15.762 1.438 1.00 0.00 C ATOM 928 O LEU A 62 5.362 15.890 1.208 1.00 0.00 O ATOM 929 CB LEU A 62 3.792 13.941 -0.283 1.00 0.00 C ATOM 930 CG LEU A 62 2.896 13.243 -1.323 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.587 11.950 -1.773 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.505 12.904 -0.775 1.00 0.00 C ATOM 0 H LEU A 62 3.583 16.179 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 62 2.261 14.942 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.738 14.197 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.018 13.228 0.510 1.00 0.00 H new ATOM 0 HG LEU A 62 2.755 13.932 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.965 11.443 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.554 12.189 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.734 11.298 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.918 12.414 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.604 12.236 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.003 13.820 -0.464 1.00 0.00 H new ATOM 944 N ARG A 63 3.622 16.083 2.620 1.00 0.00 N ATOM 945 CA ARG A 63 4.424 16.617 3.731 1.00 0.00 C ATOM 946 C ARG A 63 5.332 15.537 4.344 1.00 0.00 C ATOM 947 O ARG A 63 6.482 15.817 4.688 1.00 0.00 O ATOM 948 CB ARG A 63 3.494 17.253 4.782 1.00 0.00 C ATOM 949 CG ARG A 63 4.218 18.158 5.800 1.00 0.00 C ATOM 950 CD ARG A 63 4.838 19.433 5.195 1.00 0.00 C ATOM 951 NE ARG A 63 3.824 20.305 4.567 1.00 0.00 N ATOM 952 CZ ARG A 63 3.039 21.188 5.179 1.00 0.00 C ATOM 953 NH1 ARG A 63 3.106 21.407 6.475 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.156 21.871 4.481 1.00 0.00 N ATOM 0 H ARG A 63 2.630 15.982 2.835 1.00 0.00 H new ATOM 0 HA ARG A 63 5.087 17.391 3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.731 17.839 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.977 16.459 5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.511 18.447 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.006 17.581 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.358 19.988 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.585 19.154 4.452 1.00 0.00 H new ATOM 0 HE ARG A 63 3.714 20.221 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.776 20.892 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.488 22.092 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.076 21.722 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.552 22.549 4.946 1.00 0.00 H new ATOM 968 N ARG A 64 4.835 14.295 4.424 1.00 0.00 N ATOM 969 CA ARG A 64 5.541 13.124 4.967 1.00 0.00 C ATOM 970 C ARG A 64 4.874 11.807 4.548 1.00 0.00 C ATOM 971 O ARG A 64 3.712 11.774 4.139 1.00 0.00 O ATOM 972 CB ARG A 64 5.724 13.235 6.495 1.00 0.00 C ATOM 973 CG ARG A 64 4.416 13.167 7.294 1.00 0.00 C ATOM 974 CD ARG A 64 4.678 13.399 8.786 1.00 0.00 C ATOM 975 NE ARG A 64 3.437 13.255 9.558 1.00 0.00 N ATOM 976 CZ ARG A 64 3.130 13.773 10.733 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.974 14.507 11.439 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.929 13.540 11.202 1.00 0.00 N ATOM 0 H ARG A 64 3.895 14.069 4.100 1.00 0.00 H new ATOM 0 HA ARG A 64 6.540 13.112 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.383 12.433 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.226 14.176 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.718 13.917 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.946 12.194 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.421 12.687 9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.093 14.396 8.937 1.00 0.00 H new ATOM 0 HE ARG A 64 2.715 12.677 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.910 14.695 11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.689 14.885 12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.271 12.977 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.652 13.922 12.106 1.00 0.00 H new ATOM 992 N TYR A 65 5.640 10.722 4.639 1.00 0.00 N ATOM 993 CA TYR A 65 5.321 9.396 4.096 1.00 0.00 C ATOM 994 C TYR A 65 6.133 8.301 4.803 1.00 0.00 C ATOM 995 O TYR A 65 7.199 8.570 5.358 1.00 0.00 O ATOM 996 CB TYR A 65 5.585 9.388 2.580 1.00 0.00 C ATOM 997 CG TYR A 65 7.011 9.735 2.177 1.00 0.00 C ATOM 998 CD1 TYR A 65 7.372 11.076 1.950 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.979 8.720 2.034 1.00 0.00 C ATOM 1000 CE1 TYR A 65 8.694 11.400 1.597 1.00 0.00 C ATOM 1001 CE2 TYR A 65 9.299 9.031 1.653 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.658 10.383 1.436 1.00 0.00 C ATOM 1003 OH TYR A 65 10.934 10.714 1.091 1.00 0.00 O ATOM 0 H TYR A 65 6.542 10.740 5.114 1.00 0.00 H new ATOM 0 HA TYR A 65 4.267 9.183 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.342 8.400 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.906 10.095 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.633 11.857 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.705 7.692 2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.973 12.433 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.030 8.246 1.528 1.00 0.00 H new ATOM 0 HH TYR A 65 11.555 10.055 1.466 1.00 0.00 H new ATOM 1013 N GLY A 66 5.626 7.066 4.795 1.00 0.00 N ATOM 1014 CA GLY A 66 6.197 5.950 5.543 1.00 0.00 C ATOM 1015 C GLY A 66 5.689 4.581 5.115 1.00 0.00 C ATOM 1016 O GLY A 66 4.780 4.437 4.298 1.00 0.00 O ATOM 0 H GLY A 66 4.795 6.812 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.281 5.972 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.980 6.090 6.602 1.00 0.00 H new ATOM 1020 N TYR A 67 6.286 3.552 5.705 1.00 0.00 N ATOM 1021 CA TYR A 67 5.986 2.161 5.381 1.00 0.00 C ATOM 1022 C TYR A 67 6.259 1.212 6.555 1.00 0.00 C ATOM 1023 O TYR A 67 7.092 1.479 7.429 1.00 0.00 O ATOM 1024 CB TYR A 67 6.743 1.744 4.106 1.00 0.00 C ATOM 1025 CG TYR A 67 8.178 1.300 4.331 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.152 2.222 4.754 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.531 -0.054 4.156 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.470 1.799 5.007 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.842 -0.489 4.428 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.822 0.440 4.845 1.00 0.00 C ATOM 1031 OH TYR A 67 12.101 0.041 5.095 1.00 0.00 O ATOM 0 H TYR A 67 6.998 3.660 6.428 1.00 0.00 H new ATOM 0 HA TYR A 67 4.916 2.083 5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.197 0.931 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.742 2.583 3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.887 3.261 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.791 -0.761 3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.214 2.514 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.099 -1.532 4.318 1.00 0.00 H new ATOM 0 HH TYR A 67 12.180 -0.923 4.938 1.00 0.00 H new ATOM 1041 N ASP A 68 5.548 0.095 6.545 1.00 0.00 N ATOM 1042 CA ASP A 68 5.749 -1.072 7.408 1.00 0.00 C ATOM 1043 C ASP A 68 5.919 -2.357 6.560 1.00 0.00 C ATOM 1044 O ASP A 68 6.016 -2.299 5.333 1.00 0.00 O ATOM 1045 CB ASP A 68 4.598 -1.150 8.430 1.00 0.00 C ATOM 1046 CG ASP A 68 5.062 -1.756 9.763 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.199 -3.000 9.837 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.309 -0.985 10.719 1.00 0.00 O ATOM 0 H ASP A 68 4.769 -0.035 5.899 1.00 0.00 H new ATOM 0 HA ASP A 68 6.675 -0.972 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.198 -0.151 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.787 -1.751 8.020 1.00 0.00 H new ATOM 1053 N SER A 69 5.969 -3.531 7.193 1.00 0.00 N ATOM 1054 CA SER A 69 6.344 -4.805 6.549 1.00 0.00 C ATOM 1055 C SER A 69 5.359 -5.297 5.469 1.00 0.00 C ATOM 1056 O SER A 69 5.735 -6.090 4.608 1.00 0.00 O ATOM 1057 CB SER A 69 6.525 -5.904 7.609 1.00 0.00 C ATOM 1058 OG SER A 69 7.541 -5.587 8.556 1.00 0.00 O ATOM 0 H SER A 69 5.748 -3.632 8.184 1.00 0.00 H new ATOM 0 HA SER A 69 7.282 -4.598 6.034 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.581 -6.059 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.774 -6.843 7.115 1.00 0.00 H new ATOM 0 HG SER A 69 7.618 -6.314 9.209 1.00 0.00 H new ATOM 1064 N ASN A 70 4.110 -4.803 5.488 1.00 0.00 N ATOM 1065 CA ASN A 70 3.032 -5.140 4.544 1.00 0.00 C ATOM 1066 C ASN A 70 2.076 -3.951 4.280 1.00 0.00 C ATOM 1067 O ASN A 70 0.965 -4.140 3.779 1.00 0.00 O ATOM 1068 CB ASN A 70 2.268 -6.377 5.068 1.00 0.00 C ATOM 1069 CG ASN A 70 3.041 -7.678 4.895 1.00 0.00 C ATOM 1070 OD1 ASN A 70 3.303 -8.123 3.784 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.379 -8.348 5.982 1.00 0.00 N ATOM 0 H ASN A 70 3.811 -4.129 6.192 1.00 0.00 H new ATOM 0 HA ASN A 70 3.484 -5.374 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.041 -6.235 6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.315 -6.456 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.862 -9.243 5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.157 -7.971 6.903 1.00 0.00 H new ATOM 1078 N LEU A 71 2.480 -2.722 4.632 1.00 0.00 N ATOM 1079 CA LEU A 71 1.623 -1.531 4.647 1.00 0.00 C ATOM 1080 C LEU A 71 2.406 -0.300 4.178 1.00 0.00 C ATOM 1081 O LEU A 71 3.527 -0.069 4.614 1.00 0.00 O ATOM 1082 CB LEU A 71 1.090 -1.335 6.083 1.00 0.00 C ATOM 1083 CG LEU A 71 -0.059 -0.312 6.207 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.392 -0.896 5.714 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.227 0.128 7.667 1.00 0.00 C ATOM 0 H LEU A 71 3.438 -2.525 4.922 1.00 0.00 H new ATOM 0 HA LEU A 71 0.786 -1.663 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.745 -2.297 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.914 -1.016 6.722 1.00 0.00 H new ATOM 0 HG LEU A 71 0.204 0.543 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.177 -0.147 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.298 -1.183 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.647 -1.773 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.041 0.849 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.457 -0.740 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.697 0.588 8.017 1.00 0.00 H new ATOM 1097 N PHE A 72 1.795 0.508 3.313 1.00 0.00 N ATOM 1098 CA PHE A 72 2.328 1.774 2.819 1.00 0.00 C ATOM 1099 C PHE A 72 1.361 2.899 3.206 1.00 0.00 C ATOM 1100 O PHE A 72 0.156 2.780 2.979 1.00 0.00 O ATOM 1101 CB PHE A 72 2.503 1.662 1.297 1.00 0.00 C ATOM 1102 CG PHE A 72 2.866 2.968 0.626 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.096 3.590 0.910 1.00 0.00 C ATOM 1104 CD2 PHE A 72 1.962 3.574 -0.269 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.415 4.824 0.318 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.288 4.801 -0.870 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.506 5.431 -0.568 1.00 0.00 C ATOM 0 H PHE A 72 0.879 0.289 2.922 1.00 0.00 H new ATOM 0 HA PHE A 72 3.299 2.001 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.279 0.927 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.578 1.285 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.796 3.118 1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.020 3.096 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.355 5.305 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.601 5.260 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.746 6.384 -1.017 1.00 0.00 H new ATOM 1117 N SER A 73 1.865 3.985 3.794 1.00 0.00 N ATOM 1118 CA SER A 73 1.012 5.099 4.247 1.00 0.00 C ATOM 1119 C SER A 73 1.656 6.492 4.115 1.00 0.00 C ATOM 1120 O SER A 73 2.880 6.639 4.164 1.00 0.00 O ATOM 1121 CB SER A 73 0.552 4.819 5.689 1.00 0.00 C ATOM 1122 OG SER A 73 -0.381 5.774 6.173 1.00 0.00 O ATOM 0 H SER A 73 2.860 4.122 3.971 1.00 0.00 H new ATOM 0 HA SER A 73 0.153 5.140 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.103 3.827 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.422 4.806 6.345 1.00 0.00 H new ATOM 0 HG SER A 73 -1.009 6.009 5.459 1.00 0.00 H new ATOM 1128 N PHE A 74 0.832 7.532 3.941 1.00 0.00 N ATOM 1129 CA PHE A 74 1.292 8.920 3.742 1.00 0.00 C ATOM 1130 C PHE A 74 0.250 10.003 4.073 1.00 0.00 C ATOM 1131 O PHE A 74 -0.956 9.739 4.098 1.00 0.00 O ATOM 1132 CB PHE A 74 1.813 9.091 2.301 1.00 0.00 C ATOM 1133 CG PHE A 74 0.779 8.824 1.222 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.064 9.857 0.768 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.652 7.532 0.679 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.028 9.598 -0.221 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.310 7.272 -0.310 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.151 8.304 -0.757 1.00 0.00 C ATOM 0 H PHE A 74 -0.184 7.437 3.934 1.00 0.00 H new ATOM 0 HA PHE A 74 2.095 9.075 4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.189 10.107 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.658 8.419 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.031 10.850 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.297 6.737 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.673 10.391 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.403 6.280 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.894 8.103 -1.514 1.00 0.00 H new ATOM 1148 N GLU A 75 0.732 11.235 4.277 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.071 12.453 4.454 1.00 0.00 C ATOM 1150 C GLU A 75 -0.100 13.314 3.183 1.00 0.00 C ATOM 1151 O GLU A 75 0.919 13.489 2.507 1.00 0.00 O ATOM 1152 CB GLU A 75 0.476 13.342 5.594 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.051 12.991 6.990 1.00 0.00 C ATOM 1154 CD GLU A 75 0.839 12.023 7.779 1.00 0.00 C ATOM 1155 OE1 GLU A 75 1.514 11.163 7.179 1.00 0.00 O ATOM 1156 OE2 GLU A 75 0.890 12.162 9.024 1.00 0.00 O ATOM 0 H GLU A 75 1.734 11.419 4.325 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.075 12.103 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.564 13.270 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.227 14.381 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.164 13.911 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.044 12.553 6.890 1.00 0.00 H new ATOM 1163 N SER A 76 -1.241 13.938 2.916 1.00 0.00 N ATOM 1164 CA SER A 76 -1.415 14.967 1.882 1.00 0.00 C ATOM 1165 C SER A 76 -1.951 16.286 2.468 1.00 0.00 C ATOM 1166 O SER A 76 -2.597 16.301 3.524 1.00 0.00 O ATOM 1167 CB SER A 76 -2.323 14.463 0.755 1.00 0.00 C ATOM 1168 OG SER A 76 -2.210 15.318 -0.372 1.00 0.00 O ATOM 0 H SER A 76 -2.102 13.740 3.426 1.00 0.00 H new ATOM 0 HA SER A 76 -0.430 15.174 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.046 13.445 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.358 14.431 1.096 1.00 0.00 H new ATOM 0 HG SER A 76 -3.089 15.693 -0.588 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.655 17.401 1.785 1.00 0.00 N ATOM 1175 CA GLY A 77 -2.030 18.764 2.176 1.00 0.00 C ATOM 1176 C GLY A 77 -3.542 19.032 2.133 1.00 0.00 C ATOM 1177 O GLY A 77 -4.303 18.365 1.432 1.00 0.00 O ATOM 0 H GLY A 77 -1.128 17.375 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.666 18.955 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.527 19.472 1.517 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.978 20.071 2.858 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.393 20.450 3.036 1.00 0.00 C ATOM 1183 C ARG A 78 -6.104 21.024 1.793 1.00 0.00 C ATOM 1184 O ARG A 78 -7.309 21.275 1.845 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.533 21.374 4.257 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.763 22.702 4.146 1.00 0.00 C ATOM 1187 CD ARG A 78 -4.716 23.439 5.491 1.00 0.00 C ATOM 1188 NE ARG A 78 -3.992 22.655 6.514 1.00 0.00 N ATOM 1189 CZ ARG A 78 -3.306 23.104 7.556 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -3.175 24.386 7.829 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -2.738 22.218 8.343 1.00 0.00 N ATOM 0 H ARG A 78 -3.339 20.692 3.354 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.925 19.514 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.590 21.593 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.186 20.841 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.748 22.507 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.237 23.337 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.230 24.406 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.731 23.637 5.834 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.024 21.641 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.612 25.083 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.637 24.682 8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.833 21.222 8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.202 22.526 9.154 1.00 0.00 H new ATOM 1205 N ARG A 79 -5.378 21.205 0.677 1.00 0.00 N ATOM 1206 CA ARG A 79 -5.881 21.724 -0.603 1.00 0.00 C ATOM 1207 C ARG A 79 -5.540 20.773 -1.764 1.00 0.00 C ATOM 1208 O ARG A 79 -4.628 21.010 -2.556 1.00 0.00 O ATOM 1209 CB ARG A 79 -5.422 23.183 -0.820 1.00 0.00 C ATOM 1210 CG ARG A 79 -3.916 23.435 -0.590 1.00 0.00 C ATOM 1211 CD ARG A 79 -3.464 24.817 -1.090 1.00 0.00 C ATOM 1212 NE ARG A 79 -3.618 24.968 -2.553 1.00 0.00 N ATOM 1213 CZ ARG A 79 -2.869 24.416 -3.502 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -1.827 23.658 -3.228 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -3.167 24.626 -4.767 1.00 0.00 N ATOM 0 H ARG A 79 -4.383 20.984 0.642 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.970 21.758 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.673 23.479 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.989 23.830 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.695 23.348 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.340 22.662 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.044 25.590 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.420 24.974 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.385 25.562 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.570 23.476 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.278 23.253 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.967 25.209 -5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.597 24.206 -5.502 1.00 0.00 H new ATOM 1229 N CYS A 80 -6.303 19.681 -1.853 1.00 0.00 N ATOM 1230 CA CYS A 80 -6.227 18.643 -2.894 1.00 0.00 C ATOM 1231 C CYS A 80 -7.563 17.880 -3.012 1.00 0.00 C ATOM 1232 O CYS A 80 -8.507 18.161 -2.270 1.00 0.00 O ATOM 1233 CB CYS A 80 -5.022 17.721 -2.607 1.00 0.00 C ATOM 1234 SG CYS A 80 -5.340 16.672 -1.158 1.00 0.00 S ATOM 0 H CYS A 80 -7.030 19.483 -1.166 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.063 19.104 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.822 17.096 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -4.130 18.324 -2.436 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.947 17.287 -0.082 1.00 0.00 H new ATOM 1240 N GLN A 81 -7.647 16.908 -3.927 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.884 16.169 -4.227 1.00 0.00 C ATOM 1242 C GLN A 81 -9.407 15.318 -3.052 1.00 0.00 C ATOM 1243 O GLN A 81 -10.600 15.018 -3.005 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.678 15.254 -5.446 1.00 0.00 C ATOM 1245 CG GLN A 81 -8.329 16.008 -6.741 1.00 0.00 C ATOM 1246 CD GLN A 81 -8.334 15.074 -7.955 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -9.176 15.161 -8.840 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -7.410 14.135 -8.040 1.00 0.00 N ATOM 0 H GLN A 81 -6.850 16.607 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.635 16.932 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.881 14.544 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.586 14.673 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.046 16.814 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.347 16.470 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.702 14.049 -7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.405 13.495 -8.834 1.00 0.00 H new ATOM 1257 N THR A 82 -8.533 14.942 -2.105 1.00 0.00 N ATOM 1258 CA THR A 82 -8.853 14.081 -0.953 1.00 0.00 C ATOM 1259 C THR A 82 -8.837 14.814 0.394 1.00 0.00 C ATOM 1260 O THR A 82 -9.222 14.227 1.412 1.00 0.00 O ATOM 1261 CB THR A 82 -7.899 12.885 -0.924 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.558 13.333 -0.929 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.097 11.975 -2.125 1.00 0.00 C ATOM 0 H THR A 82 -7.556 15.236 -2.119 1.00 0.00 H new ATOM 0 HA THR A 82 -9.880 13.742 -1.092 1.00 0.00 H new ATOM 0 HB THR A 82 -8.117 12.326 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.093 12.982 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.401 11.138 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.119 11.597 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.913 12.536 -3.041 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.424 16.084 0.417 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.284 16.898 1.622 1.00 0.00 C ATOM 1273 C GLY A 83 -7.097 16.502 2.504 1.00 0.00 C ATOM 1274 O GLY A 83 -6.271 15.657 2.137 1.00 0.00 O ATOM 0 H GLY A 83 -8.170 16.588 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.176 17.943 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.200 16.823 2.208 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.021 17.098 3.691 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.043 16.730 4.719 1.00 0.00 C ATOM 1280 C GLN A 84 -6.418 15.359 5.312 1.00 0.00 C ATOM 1281 O GLN A 84 -7.573 15.124 5.676 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.025 17.801 5.826 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.811 17.701 6.770 1.00 0.00 C ATOM 1284 CD GLN A 84 -3.678 18.675 6.443 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -3.605 19.785 6.961 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -2.740 18.326 5.589 1.00 0.00 N ATOM 0 H GLN A 84 -7.641 17.858 3.972 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.050 16.668 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.033 18.788 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.939 17.717 6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.145 17.880 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.421 16.684 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.773 17.410 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.980 18.972 5.374 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.442 14.452 5.422 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.646 13.123 6.000 1.00 0.00 C ATOM 1297 C GLY A 85 -4.451 12.188 5.840 1.00 0.00 C ATOM 1298 O GLY A 85 -3.463 12.520 5.184 1.00 0.00 O ATOM 0 H GLY A 85 -4.485 14.621 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.871 13.230 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.518 12.665 5.533 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.571 11.008 6.452 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.595 9.908 6.394 1.00 0.00 C ATOM 1304 C ILE A 86 -4.237 8.742 5.642 1.00 0.00 C ATOM 1305 O ILE A 86 -5.247 8.203 6.096 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.184 9.478 7.822 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.469 10.621 8.570 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.291 8.222 7.769 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.304 10.376 10.072 1.00 0.00 C ATOM 0 H ILE A 86 -5.383 10.779 7.026 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.693 10.232 5.875 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.093 9.239 8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.485 10.771 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.029 11.544 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.010 7.932 8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.838 7.406 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.392 8.439 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.792 11.225 10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.285 10.256 10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.717 9.472 10.231 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.638 8.346 4.519 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.120 7.264 3.656 1.00 0.00 C ATOM 1323 C PHE A 87 -3.211 6.043 3.813 1.00 0.00 C ATOM 1324 O PHE A 87 -1.992 6.198 3.905 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.152 7.764 2.201 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.903 9.070 2.036 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.311 9.078 2.023 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.193 10.287 1.975 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.007 10.298 1.958 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -4.890 11.506 1.922 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.295 11.512 1.921 1.00 0.00 C ATOM 0 H PHE A 87 -2.781 8.779 4.174 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.130 6.967 3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.130 7.892 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.615 7.004 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.857 8.147 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.113 10.282 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.087 10.304 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.346 12.438 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.830 12.450 1.892 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.780 4.834 3.847 1.00 0.00 N ATOM 1342 CA ALA A 88 -3.037 3.602 4.117 1.00 0.00 C ATOM 1343 C ALA A 88 -3.525 2.422 3.262 1.00 0.00 C ATOM 1344 O ALA A 88 -4.731 2.155 3.153 1.00 0.00 O ATOM 1345 CB ALA A 88 -3.105 3.293 5.617 1.00 0.00 C ATOM 0 H ALA A 88 -4.776 4.683 3.687 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.996 3.755 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.553 2.376 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.665 4.117 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.146 3.166 5.916 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.561 1.718 2.669 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.785 0.636 1.707 1.00 0.00 C ATOM 1353 C PHE A 89 -1.935 -0.592 2.045 1.00 0.00 C ATOM 1354 O PHE A 89 -0.730 -0.477 2.280 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.491 1.116 0.271 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.112 2.447 -0.120 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.511 3.659 0.278 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.297 2.479 -0.879 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.117 4.887 -0.038 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.896 3.709 -1.204 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.311 4.913 -0.777 1.00 0.00 C ATOM 0 H PHE A 89 -1.572 1.889 2.850 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.834 0.347 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.411 1.190 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.841 0.354 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.582 3.643 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.748 1.556 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.664 5.812 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.808 3.728 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.779 5.857 -1.017 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.536 -1.782 2.035 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.819 -3.051 2.168 1.00 0.00 C ATOM 1373 C LYS A 90 -1.104 -3.390 0.857 1.00 0.00 C ATOM 1374 O LYS A 90 -1.696 -3.299 -0.224 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.788 -4.178 2.572 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.979 -4.239 4.092 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.892 -5.417 4.468 1.00 0.00 C ATOM 1378 CE LYS A 90 -4.083 -5.555 5.988 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.866 -6.075 6.670 1.00 0.00 N ATOM 0 H LYS A 90 -3.545 -1.893 1.933 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.070 -2.952 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.752 -4.020 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.405 -5.134 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.012 -4.349 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.413 -3.305 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.864 -5.284 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.469 -6.341 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.344 -4.584 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.921 -6.224 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.046 -6.150 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.630 -7.014 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.071 -5.425 6.505 1.00 0.00 H new ATOM 1393 N CYS A 91 0.158 -3.800 0.971 1.00 0.00 N ATOM 1394 CA CYS A 91 1.004 -4.260 -0.127 1.00 0.00 C ATOM 1395 C CYS A 91 2.276 -4.932 0.423 1.00 0.00 C ATOM 1396 O CYS A 91 2.989 -4.337 1.231 1.00 0.00 O ATOM 1397 CB CYS A 91 1.343 -3.065 -1.039 1.00 0.00 C ATOM 1398 SG CYS A 91 2.263 -3.652 -2.489 1.00 0.00 S ATOM 0 H CYS A 91 0.639 -3.821 1.870 1.00 0.00 H new ATOM 0 HA CYS A 91 0.472 -5.006 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.428 -2.563 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.936 -2.332 -0.491 1.00 0.00 H new ATOM 0 HG CYS A 91 1.461 -3.731 -3.509 1.00 0.00 H new ATOM 1404 N SER A 92 2.609 -6.140 -0.034 1.00 0.00 N ATOM 1405 CA SER A 92 3.862 -6.829 0.346 1.00 0.00 C ATOM 1406 C SER A 92 5.126 -6.128 -0.203 1.00 0.00 C ATOM 1407 O SER A 92 6.240 -6.378 0.261 1.00 0.00 O ATOM 1408 CB SER A 92 3.798 -8.289 -0.135 1.00 0.00 C ATOM 1409 OG SER A 92 4.831 -9.099 0.415 1.00 0.00 O ATOM 0 H SER A 92 2.025 -6.675 -0.677 1.00 0.00 H new ATOM 0 HA SER A 92 3.945 -6.794 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.830 -8.712 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.866 -8.311 -1.223 1.00 0.00 H new ATOM 0 HG SER A 92 4.743 -10.015 0.078 1.00 0.00 H new ATOM 1415 N ARG A 93 4.953 -5.215 -1.174 1.00 0.00 N ATOM 1416 CA ARG A 93 5.998 -4.419 -1.839 1.00 0.00 C ATOM 1417 C ARG A 93 6.040 -2.964 -1.343 1.00 0.00 C ATOM 1418 O ARG A 93 6.636 -2.107 -1.993 1.00 0.00 O ATOM 1419 CB ARG A 93 5.802 -4.503 -3.366 1.00 0.00 C ATOM 1420 CG ARG A 93 5.903 -5.952 -3.873 1.00 0.00 C ATOM 1421 CD ARG A 93 5.563 -6.077 -5.361 1.00 0.00 C ATOM 1422 NE ARG A 93 4.108 -5.964 -5.584 1.00 0.00 N ATOM 1423 CZ ARG A 93 3.435 -6.480 -6.615 1.00 0.00 C ATOM 1424 NH1 ARG A 93 4.055 -7.050 -7.617 1.00 0.00 N ATOM 1425 NH2 ARG A 93 2.123 -6.433 -6.628 1.00 0.00 N ATOM 0 H ARG A 93 4.024 -5.000 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 93 6.969 -4.840 -1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.828 -4.092 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.553 -3.890 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.913 -6.324 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.228 -6.584 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.082 -5.300 -5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.919 -7.035 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 93 3.570 -5.446 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.073 -7.107 -7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.520 -7.437 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.620 -6.003 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.606 -6.826 -7.415 1.00 0.00 H new ATOM 1439 N ALA A 94 5.440 -2.668 -0.182 1.00 0.00 N ATOM 1440 CA ALA A 94 5.439 -1.337 0.442 1.00 0.00 C ATOM 1441 C ALA A 94 6.841 -0.708 0.582 1.00 0.00 C ATOM 1442 O ALA A 94 6.982 0.503 0.430 1.00 0.00 O ATOM 1443 CB ALA A 94 4.749 -1.457 1.807 1.00 0.00 C ATOM 0 H ALA A 94 4.930 -3.363 0.362 1.00 0.00 H new ATOM 0 HA ALA A 94 4.896 -0.657 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.734 -0.482 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.727 -1.809 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.295 -2.165 2.430 1.00 0.00 H new ATOM 1449 N GLU A 95 7.875 -1.532 0.797 1.00 0.00 N ATOM 1450 CA GLU A 95 9.277 -1.104 0.828 1.00 0.00 C ATOM 1451 C GLU A 95 9.767 -0.586 -0.539 1.00 0.00 C ATOM 1452 O GLU A 95 10.453 0.434 -0.589 1.00 0.00 O ATOM 1453 CB GLU A 95 10.146 -2.274 1.324 1.00 0.00 C ATOM 1454 CG GLU A 95 11.618 -1.889 1.523 1.00 0.00 C ATOM 1455 CD GLU A 95 12.387 -3.009 2.237 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.813 -3.982 1.569 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.577 -2.919 3.473 1.00 0.00 O ATOM 0 H GLU A 95 7.757 -2.532 0.957 1.00 0.00 H new ATOM 0 HA GLU A 95 9.364 -0.263 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.743 -2.644 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.085 -3.093 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.078 -1.686 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.682 -0.970 2.106 1.00 0.00 H new ATOM 1464 N GLU A 96 9.385 -1.233 -1.645 1.00 0.00 N ATOM 1465 CA GLU A 96 9.759 -0.806 -2.996 1.00 0.00 C ATOM 1466 C GLU A 96 8.993 0.446 -3.425 1.00 0.00 C ATOM 1467 O GLU A 96 9.566 1.312 -4.082 1.00 0.00 O ATOM 1468 CB GLU A 96 9.519 -1.931 -4.012 1.00 0.00 C ATOM 1469 CG GLU A 96 10.425 -3.153 -3.799 1.00 0.00 C ATOM 1470 CD GLU A 96 11.894 -2.850 -4.137 1.00 0.00 C ATOM 1471 OE1 GLU A 96 12.654 -2.403 -3.244 1.00 0.00 O ATOM 1472 OE2 GLU A 96 12.298 -3.069 -5.304 1.00 0.00 O ATOM 0 H GLU A 96 8.805 -2.072 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 96 10.822 -0.566 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.477 -2.246 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.678 -1.542 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.352 -3.481 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.073 -3.977 -4.420 1.00 0.00 H new ATOM 1479 N ILE A 97 7.727 0.589 -3.001 1.00 0.00 N ATOM 1480 CA ILE A 97 6.947 1.826 -3.192 1.00 0.00 C ATOM 1481 C ILE A 97 7.628 2.985 -2.447 1.00 0.00 C ATOM 1482 O ILE A 97 7.886 4.029 -3.049 1.00 0.00 O ATOM 1483 CB ILE A 97 5.459 1.654 -2.785 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.779 0.534 -3.616 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.692 2.977 -2.973 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.386 0.137 -3.110 1.00 0.00 C ATOM 0 H ILE A 97 7.214 -0.148 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 97 6.931 2.063 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 97 5.433 1.371 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.697 0.864 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.420 -0.347 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.651 2.838 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.142 3.750 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.740 3.280 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.979 -0.651 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.461 -0.225 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.727 1.004 -3.141 1.00 0.00 H new ATOM 1498 N PHE A 98 7.983 2.799 -1.169 1.00 0.00 N ATOM 1499 CA PHE A 98 8.663 3.805 -0.351 1.00 0.00 C ATOM 1500 C PHE A 98 10.041 4.186 -0.924 1.00 0.00 C ATOM 1501 O PHE A 98 10.362 5.374 -1.015 1.00 0.00 O ATOM 1502 CB PHE A 98 8.751 3.244 1.070 1.00 0.00 C ATOM 1503 CG PHE A 98 9.494 4.118 2.048 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.812 5.125 2.752 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.860 3.886 2.293 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.491 5.884 3.721 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.535 4.639 3.268 1.00 0.00 C ATOM 1508 CZ PHE A 98 10.844 5.621 3.999 1.00 0.00 C ATOM 0 H PHE A 98 7.801 1.929 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 98 8.099 4.738 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.741 3.081 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.238 2.270 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.768 5.315 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.389 3.130 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.973 6.669 4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.584 4.464 3.456 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.353 6.174 4.775 1.00 0.00 H new ATOM 1518 N ASN A 99 10.836 3.203 -1.364 1.00 0.00 N ATOM 1519 CA ASN A 99 12.135 3.439 -2.001 1.00 0.00 C ATOM 1520 C ASN A 99 11.988 4.249 -3.296 1.00 0.00 C ATOM 1521 O ASN A 99 12.656 5.266 -3.461 1.00 0.00 O ATOM 1522 CB ASN A 99 12.850 2.103 -2.276 1.00 0.00 C ATOM 1523 CG ASN A 99 13.410 1.420 -1.028 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.692 2.040 -0.009 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.632 0.117 -1.091 1.00 0.00 N ATOM 0 H ASN A 99 10.593 2.215 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 99 12.742 4.026 -1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.151 1.424 -2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.666 2.279 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.037 -0.370 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.398 -0.400 -1.939 1.00 0.00 H new ATOM 1532 N LEU A 100 11.070 3.853 -4.187 1.00 0.00 N ATOM 1533 CA LEU A 100 10.802 4.568 -5.437 1.00 0.00 C ATOM 1534 C LEU A 100 10.270 5.989 -5.182 1.00 0.00 C ATOM 1535 O LEU A 100 10.685 6.923 -5.862 1.00 0.00 O ATOM 1536 CB LEU A 100 9.842 3.705 -6.276 1.00 0.00 C ATOM 1537 CG LEU A 100 9.441 4.317 -7.630 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.646 4.556 -8.553 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.444 3.390 -8.335 1.00 0.00 C ATOM 0 H LEU A 100 10.491 3.023 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 100 11.727 4.715 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.309 2.736 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.939 3.521 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 100 8.989 5.287 -7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.304 4.989 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.343 5.241 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.147 3.608 -8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.160 3.823 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.906 2.416 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.556 3.270 -7.714 1.00 0.00 H new ATOM 1551 N LEU A 101 9.418 6.178 -4.169 1.00 0.00 N ATOM 1552 CA LEU A 101 8.911 7.490 -3.762 1.00 0.00 C ATOM 1553 C LEU A 101 10.041 8.456 -3.372 1.00 0.00 C ATOM 1554 O LEU A 101 10.087 9.567 -3.901 1.00 0.00 O ATOM 1555 CB LEU A 101 7.897 7.292 -2.620 1.00 0.00 C ATOM 1556 CG LEU A 101 7.210 8.585 -2.143 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.374 9.216 -3.262 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.291 8.249 -0.966 1.00 0.00 C ATOM 0 H LEU A 101 9.057 5.412 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 101 8.411 7.958 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.131 6.589 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.408 6.834 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 101 7.980 9.297 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.902 10.127 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.020 9.458 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.605 8.513 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.798 9.157 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.539 7.528 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.880 7.823 -0.154 1.00 0.00 H new ATOM 1570 N GLN A 102 10.973 8.045 -2.501 1.00 0.00 N ATOM 1571 CA GLN A 102 12.103 8.901 -2.127 1.00 0.00 C ATOM 1572 C GLN A 102 13.091 9.117 -3.289 1.00 0.00 C ATOM 1573 O GLN A 102 13.650 10.205 -3.423 1.00 0.00 O ATOM 1574 CB GLN A 102 12.802 8.388 -0.854 1.00 0.00 C ATOM 1575 CG GLN A 102 13.479 7.015 -0.962 1.00 0.00 C ATOM 1576 CD GLN A 102 14.419 6.711 0.207 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.150 7.003 1.366 1.00 0.00 O ATOM 1578 NE2 GLN A 102 15.568 6.118 -0.048 1.00 0.00 N ATOM 0 H GLN A 102 10.966 7.132 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 102 11.692 9.884 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.554 9.119 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.065 8.345 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.712 6.242 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.042 6.967 -1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.811 5.867 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.215 5.910 0.713 1.00 0.00 H new ATOM 1587 N ASP A 103 13.260 8.125 -4.173 1.00 0.00 N ATOM 1588 CA ASP A 103 14.114 8.230 -5.359 1.00 0.00 C ATOM 1589 C ASP A 103 13.576 9.271 -6.358 1.00 0.00 C ATOM 1590 O ASP A 103 14.341 10.085 -6.872 1.00 0.00 O ATOM 1591 CB ASP A 103 14.258 6.854 -6.037 1.00 0.00 C ATOM 1592 CG ASP A 103 15.172 5.858 -5.295 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.069 6.286 -4.529 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.028 4.635 -5.540 1.00 0.00 O ATOM 0 H ASP A 103 12.802 7.218 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 103 15.097 8.568 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.268 6.410 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.647 7.000 -7.045 1.00 0.00 H new ATOM 1599 N LEU A 104 12.259 9.297 -6.587 1.00 0.00 N ATOM 1600 CA LEU A 104 11.599 10.266 -7.472 1.00 0.00 C ATOM 1601 C LEU A 104 11.514 11.673 -6.862 1.00 0.00 C ATOM 1602 O LEU A 104 11.419 12.649 -7.607 1.00 0.00 O ATOM 1603 CB LEU A 104 10.201 9.747 -7.843 1.00 0.00 C ATOM 1604 CG LEU A 104 10.234 8.474 -8.714 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.838 7.853 -8.744 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.711 8.749 -10.149 1.00 0.00 C ATOM 0 H LEU A 104 11.611 8.637 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 104 12.210 10.362 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.644 9.539 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.660 10.529 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 104 10.952 7.787 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.853 6.952 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.532 7.596 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.131 8.567 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.714 7.818 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.038 9.462 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.719 9.162 -10.124 1.00 0.00 H new ATOM 1618 N MET A 105 11.604 11.797 -5.534 1.00 0.00 N ATOM 1619 CA MET A 105 11.739 13.094 -4.855 1.00 0.00 C ATOM 1620 C MET A 105 13.158 13.679 -4.943 1.00 0.00 C ATOM 1621 O MET A 105 13.290 14.904 -4.973 1.00 0.00 O ATOM 1622 CB MET A 105 11.317 12.983 -3.385 1.00 0.00 C ATOM 1623 CG MET A 105 9.798 12.889 -3.224 1.00 0.00 C ATOM 1624 SD MET A 105 9.278 12.792 -1.495 1.00 0.00 S ATOM 1625 CE MET A 105 7.484 12.928 -1.690 1.00 0.00 C ATOM 0 H MET A 105 11.585 11.001 -4.897 1.00 0.00 H new ATOM 0 HA MET A 105 11.075 13.780 -5.380 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.783 12.103 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.686 13.850 -2.837 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.334 13.759 -3.689 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.435 12.010 -3.757 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.997 12.709 -0.740 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.228 13.940 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.145 12.217 -2.444 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.182 5.620 2.940 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.289 5.812 4.388 1.00 0.00 C ATOM 2021 C PHE A 136 -9.162 6.716 4.917 1.00 0.00 C ATOM 2022 O PHE A 136 -7.987 6.481 4.627 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.261 4.431 5.063 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.744 4.411 6.501 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.902 4.835 7.550 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.049 3.967 6.795 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.375 4.840 8.875 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.513 3.955 8.122 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.677 4.399 9.162 1.00 0.00 C ATOM 0 HA PHE A 136 -11.227 6.315 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -10.875 3.745 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.241 4.049 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.893 5.156 7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.696 3.634 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.735 5.184 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.511 3.605 8.343 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.036 4.401 10.181 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.526 7.725 5.722 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.602 8.643 6.401 1.00 0.00 C ATOM 2041 C ARG A 137 -8.397 8.225 7.866 1.00 0.00 C ATOM 2042 O ARG A 137 -9.351 8.222 8.649 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.167 10.069 6.320 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.104 10.631 4.888 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.165 11.713 4.645 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.531 11.149 4.617 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.057 10.390 3.660 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.435 10.165 2.521 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.229 9.822 3.842 1.00 0.00 N ATOM 0 H ARG A 137 -10.504 7.931 5.924 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.630 8.608 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.201 10.070 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.606 10.720 6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.113 11.048 4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.244 9.819 4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.100 12.468 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -9.961 12.216 3.700 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.132 11.364 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.518 10.579 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -11.870 9.577 1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.734 9.964 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.633 9.240 3.108 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.161 7.894 8.247 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.774 7.580 9.632 1.00 0.00 C ATOM 2065 C LEU A 138 -6.550 8.868 10.450 1.00 0.00 C ATOM 2066 O LEU A 138 -6.128 9.891 9.902 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.503 6.703 9.638 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.614 5.344 8.917 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.229 4.690 8.842 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.567 4.386 9.639 1.00 0.00 C ATOM 0 H LEU A 138 -6.382 7.834 7.591 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.587 7.026 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.693 7.270 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.217 6.520 10.674 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.010 5.535 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.307 3.730 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.549 5.339 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.844 4.536 9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.614 3.442 9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.204 4.205 10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.562 4.828 9.685 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.796 8.808 11.767 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.525 9.914 12.708 1.00 0.00 C ATOM 2084 C ARG A 139 -5.042 10.030 13.097 1.00 0.00 C ATOM 2085 O ARG A 139 -4.549 11.130 13.350 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.353 9.735 13.990 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.849 10.008 13.778 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.593 9.970 15.119 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.030 10.257 14.948 1.00 0.00 N ATOM 2090 CZ ARG A 139 -11.912 10.460 15.921 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.572 10.417 17.193 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.168 10.714 15.622 1.00 0.00 N ATOM 0 H ARG A 139 -7.193 7.983 12.217 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.806 10.829 12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.223 8.718 14.361 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -6.972 10.406 14.759 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -8.985 10.981 13.307 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.269 9.265 13.100 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.469 8.989 15.578 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.154 10.698 15.801 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.380 10.304 13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.606 10.223 17.456 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.275 10.578 17.914 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.462 10.755 14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.848 10.870 16.366 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.335 8.899 13.135 1.00 0.00 N ATOM 2107 CA HIS A 140 -2.923 8.769 13.522 1.00 0.00 C ATOM 2108 C HIS A 140 -2.151 7.837 12.565 1.00 0.00 C ATOM 2109 O HIS A 140 -2.738 6.975 11.903 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.844 8.276 14.977 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.286 9.309 15.981 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.505 10.379 16.427 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.500 9.354 16.601 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.275 11.045 17.305 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.478 10.454 17.430 1.00 0.00 N ATOM 0 H HIS A 140 -4.750 8.002 12.885 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.445 9.746 13.449 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.463 7.386 15.086 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -1.818 7.980 15.198 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.319 8.662 16.468 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -2.970 11.934 17.838 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.240 10.766 18.033 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.833 8.033 12.467 1.00 0.00 N ATOM 2124 CA PHE A 141 0.003 7.395 11.448 1.00 0.00 C ATOM 2125 C PHE A 141 0.320 5.921 11.794 1.00 0.00 C ATOM 2126 O PHE A 141 0.789 5.662 12.908 1.00 0.00 O ATOM 2127 CB PHE A 141 1.267 8.247 11.252 1.00 0.00 C ATOM 2128 CG PHE A 141 1.967 7.982 9.937 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.290 8.248 8.734 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.282 7.487 9.899 1.00 0.00 C ATOM 2131 CE1 PHE A 141 1.902 7.981 7.503 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.906 7.238 8.663 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.212 7.483 7.466 1.00 0.00 C ATOM 0 H PHE A 141 -0.313 8.643 13.097 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.541 7.351 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.998 9.302 11.307 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.960 8.051 12.071 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.292 8.661 8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.814 7.298 10.820 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.365 8.159 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.917 6.859 8.634 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.688 7.287 6.517 1.00 0.00 H new ATOM 2143 N PRO A 142 0.067 4.951 10.885 1.00 0.00 N ATOM 2144 CA PRO A 142 0.169 3.523 11.190 1.00 0.00 C ATOM 2145 C PRO A 142 1.583 2.943 11.005 1.00 0.00 C ATOM 2146 O PRO A 142 1.866 1.867 11.533 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.820 2.856 10.231 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.703 3.724 8.980 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.535 5.127 9.566 1.00 0.00 C ATOM 0 HA PRO A 142 -0.054 3.343 12.242 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.554 1.818 10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.834 2.854 10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.149 3.436 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.590 3.650 8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.100 5.741 8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.497 5.634 9.642 1.00 0.00 H new ATOM 2157 N CYS A 143 2.470 3.636 10.278 1.00 0.00 N ATOM 2158 CA CYS A 143 3.830 3.186 9.956 1.00 0.00 C ATOM 2159 C CYS A 143 4.881 3.852 10.866 1.00 0.00 C ATOM 2160 O CYS A 143 4.716 5.001 11.284 1.00 0.00 O ATOM 2161 CB CYS A 143 4.102 3.493 8.473 1.00 0.00 C ATOM 2162 SG CYS A 143 2.969 2.556 7.402 1.00 0.00 S ATOM 0 H CYS A 143 2.254 4.553 9.886 1.00 0.00 H new ATOM 0 HA CYS A 143 3.907 2.113 10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.983 4.561 8.290 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.134 3.241 8.228 1.00 0.00 H new ATOM 0 HG CYS A 143 3.071 2.988 6.180 1.00 0.00 H new ATOM 2168 N GLY A 144 5.989 3.154 11.149 1.00 0.00 N ATOM 2169 CA GLY A 144 7.092 3.684 11.971 1.00 0.00 C ATOM 2170 C GLY A 144 8.130 4.484 11.176 1.00 0.00 C ATOM 2171 O GLY A 144 8.690 5.457 11.681 1.00 0.00 O ATOM 0 H GLY A 144 6.149 2.204 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.677 4.321 12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.592 2.854 12.470 1.00 0.00 H new ATOM 2175 N ASN A 145 8.388 4.101 9.922 1.00 0.00 N ATOM 2176 CA ASN A 145 9.498 4.624 9.115 1.00 0.00 C ATOM 2177 C ASN A 145 9.145 5.934 8.383 1.00 0.00 C ATOM 2178 O ASN A 145 9.023 5.971 7.160 1.00 0.00 O ATOM 2179 CB ASN A 145 9.975 3.541 8.143 1.00 0.00 C ATOM 2180 CG ASN A 145 10.447 2.272 8.844 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.469 2.255 9.521 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.713 1.182 8.715 1.00 0.00 N ATOM 0 H ASN A 145 7.824 3.408 9.430 1.00 0.00 H new ATOM 0 HA ASN A 145 10.312 4.882 9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.163 3.291 7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.789 3.938 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.995 0.319 9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.864 1.203 8.150 1.00 0.00 H new ATOM 2189 N VAL A 146 8.968 7.009 9.147 1.00 0.00 N ATOM 2190 CA VAL A 146 8.616 8.348 8.637 1.00 0.00 C ATOM 2191 C VAL A 146 9.814 9.023 7.956 1.00 0.00 C ATOM 2192 O VAL A 146 10.883 9.170 8.550 1.00 0.00 O ATOM 2193 CB VAL A 146 8.045 9.270 9.743 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.845 10.724 9.274 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.670 8.757 10.195 1.00 0.00 C ATOM 0 H VAL A 146 9.066 6.981 10.162 1.00 0.00 H new ATOM 0 HA VAL A 146 7.832 8.194 7.895 1.00 0.00 H new ATOM 0 HB VAL A 146 8.777 9.254 10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.443 11.319 10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.802 11.140 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.148 10.743 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.275 9.411 10.973 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.987 8.750 9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.770 7.745 10.588 1.00 0.00 H new ATOM 2205 N ASN A 147 9.577 9.483 6.728 1.00 0.00 N ATOM 2206 CA ASN A 147 10.432 10.365 5.934 1.00 0.00 C ATOM 2207 C ASN A 147 9.638 11.622 5.535 1.00 0.00 C ATOM 2208 O ASN A 147 8.419 11.575 5.349 1.00 0.00 O ATOM 2209 CB ASN A 147 10.919 9.640 4.669 1.00 0.00 C ATOM 2210 CG ASN A 147 12.179 8.798 4.839 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.689 8.563 5.929 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.732 8.335 3.733 1.00 0.00 N ATOM 0 H ASN A 147 8.724 9.232 6.227 1.00 0.00 H new ATOM 0 HA ASN A 147 11.299 10.650 6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 147 10.117 8.995 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 147 11.102 10.383 3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.586 7.780 3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.305 8.532 2.828 1.00 0.00 H new ATOM 2219 N TYR A 148 10.333 12.751 5.387 1.00 0.00 N ATOM 2220 CA TYR A 148 9.743 14.055 5.061 1.00 0.00 C ATOM 2221 C TYR A 148 9.917 14.390 3.568 1.00 0.00 C ATOM 2222 O TYR A 148 10.960 14.091 2.977 1.00 0.00 O ATOM 2223 CB TYR A 148 10.368 15.124 5.972 1.00 0.00 C ATOM 2224 CG TYR A 148 10.372 14.742 7.444 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.156 14.582 8.137 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.590 14.473 8.104 1.00 0.00 C ATOM 2227 CE1 TYR A 148 9.148 14.137 9.472 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.591 14.042 9.444 1.00 0.00 C ATOM 2229 CZ TYR A 148 10.370 13.868 10.132 1.00 0.00 C ATOM 2230 OH TYR A 148 10.372 13.438 11.425 1.00 0.00 O ATOM 0 H TYR A 148 11.347 12.787 5.493 1.00 0.00 H new ATOM 0 HA TYR A 148 8.668 14.026 5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.393 15.309 5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.821 16.059 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.223 14.803 7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.525 14.598 7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 148 8.211 14.001 9.992 1.00 0.00 H new ATOM 0 HE2 TYR A 148 12.526 13.844 9.946 1.00 0.00 H new ATOM 0 HH TYR A 148 11.296 13.300 11.723 1.00 0.00 H new