USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 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 91 HIS : no HD1:sc= -8.53! C(o=-8.8!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -153:sc= -0.305 (180deg=0) USER MOD Single : A 28 TYR OH : rot -156:sc= 0.0818 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -53:sc= 0.0557 USER MOD Single : A 49 CYS SG : rot -4:sc= 0.645 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -109:sc= 2.09 USER MOD Single : A 101 THR OG1 : rot 118:sc= 0.19 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -162:sc= -0.0374 (180deg=-0.234) USER MOD Single : A 107 MET CE :methyl -120:sc= -0.99 (180deg=-6.3!) USER MOD Single : A 111 MET CE :methyl 150:sc= -0.174 (180deg=-1.43) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -136:sc= -0.0229 (180deg=-0.944) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.242 -3.576 4.337 1.00 0.00 N ATOM 266 CA PRO A 20 -12.325 -4.176 5.311 1.00 0.00 C ATOM 267 C PRO A 20 -10.874 -4.131 4.846 1.00 0.00 C ATOM 268 O PRO A 20 -10.528 -4.685 3.802 1.00 0.00 O ATOM 269 CB PRO A 20 -12.810 -5.625 5.408 1.00 0.00 C ATOM 270 CG PRO A 20 -13.434 -5.905 4.085 1.00 0.00 C ATOM 271 CD PRO A 20 -13.941 -4.591 3.532 1.00 0.00 C ATOM 0 HA PRO A 20 -12.335 -3.643 6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.983 -6.307 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.528 -5.749 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.708 -6.352 3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.252 -6.617 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.711 -4.488 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.023 -4.506 3.633 1.00 0.00 H new ATOM 279 N VAL A 21 -10.027 -3.467 5.627 1.00 0.00 N ATOM 280 CA VAL A 21 -8.612 -3.351 5.295 1.00 0.00 C ATOM 281 C VAL A 21 -7.860 -4.630 5.642 1.00 0.00 C ATOM 282 O VAL A 21 -7.807 -5.037 6.803 1.00 0.00 O ATOM 283 CB VAL A 21 -7.959 -2.167 6.033 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.487 -2.057 5.667 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.693 -0.873 5.719 1.00 0.00 C ATOM 0 H VAL A 21 -10.296 -3.001 6.494 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.551 -3.178 4.221 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.030 -2.346 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.042 -1.215 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.973 -2.976 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.390 -1.901 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.218 -0.047 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.656 -0.685 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.732 -0.958 6.037 1.00 0.00 H new ATOM 295 N VAL A 22 -7.276 -5.261 4.627 1.00 0.00 N ATOM 296 CA VAL A 22 -6.524 -6.494 4.825 1.00 0.00 C ATOM 297 C VAL A 22 -5.222 -6.230 5.572 1.00 0.00 C ATOM 298 O VAL A 22 -4.923 -6.886 6.569 1.00 0.00 O ATOM 299 CB VAL A 22 -6.204 -7.177 3.482 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.492 -8.501 3.712 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.475 -7.379 2.670 1.00 0.00 C ATOM 0 H VAL A 22 -7.310 -4.938 3.660 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.152 -7.156 5.421 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.537 -6.528 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.274 -8.969 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.560 -8.324 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.131 -9.160 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.230 -7.863 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.168 -8.007 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.939 -6.412 2.473 1.00 0.00 H new ATOM 311 N ARG A 23 -4.451 -5.264 5.082 1.00 0.00 N ATOM 312 CA ARG A 23 -3.179 -4.913 5.703 1.00 0.00 C ATOM 313 C ARG A 23 -2.716 -3.532 5.251 1.00 0.00 C ATOM 314 O ARG A 23 -2.690 -3.235 4.056 1.00 0.00 O ATOM 315 CB ARG A 23 -2.115 -5.957 5.360 1.00 0.00 C ATOM 316 CG ARG A 23 -0.765 -5.684 6.003 1.00 0.00 C ATOM 317 CD ARG A 23 0.375 -6.230 5.157 1.00 0.00 C ATOM 318 NE ARG A 23 1.634 -6.271 5.897 1.00 0.00 N ATOM 319 CZ ARG A 23 2.373 -5.197 6.150 1.00 0.00 C ATOM 320 NH1 ARG A 23 1.981 -4.004 5.725 1.00 0.00 N ATOM 321 NH2 ARG A 23 3.507 -5.315 6.829 1.00 0.00 N ATOM 0 H ARG A 23 -4.685 -4.711 4.257 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.324 -4.893 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.467 -6.939 5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.991 -5.996 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.636 -4.610 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.734 -6.138 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.123 -7.233 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.496 -5.610 4.269 1.00 0.00 H new ATOM 0 HE ARG A 23 1.963 -7.174 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.110 -3.910 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.550 -3.181 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.812 -6.231 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.074 -4.489 7.023 1.00 0.00 H new ATOM 335 N ARG A 24 -2.353 -2.691 6.214 1.00 0.00 N ATOM 336 CA ARG A 24 -1.893 -1.340 5.914 1.00 0.00 C ATOM 337 C ARG A 24 -0.572 -1.047 6.620 1.00 0.00 C ATOM 338 O ARG A 24 -0.499 -1.047 7.848 1.00 0.00 O ATOM 339 CB ARG A 24 -2.947 -0.314 6.336 1.00 0.00 C ATOM 340 CG ARG A 24 -3.498 -0.546 7.733 1.00 0.00 C ATOM 341 CD ARG A 24 -4.385 0.605 8.180 1.00 0.00 C ATOM 342 NE ARG A 24 -5.058 0.318 9.444 1.00 0.00 N ATOM 343 CZ ARG A 24 -6.117 0.991 9.882 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.620 1.984 9.162 1.00 0.00 N ATOM 345 NH2 ARG A 24 -6.674 0.671 11.043 1.00 0.00 N ATOM 0 H ARG A 24 -2.368 -2.921 7.208 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.735 -1.267 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.510 0.684 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.770 -0.336 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.069 -1.475 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.673 -0.665 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.782 1.507 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.130 0.809 7.411 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.696 -0.440 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.194 2.233 8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.433 2.499 9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.289 -0.092 11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.487 1.188 11.378 1.00 0.00 H new ATOM 359 N GLY A 25 0.471 -0.797 5.833 1.00 0.00 N ATOM 360 CA GLY A 25 1.775 -0.507 6.400 1.00 0.00 C ATOM 361 C GLY A 25 2.673 0.242 5.435 1.00 0.00 C ATOM 362 O GLY A 25 2.506 0.144 4.219 1.00 0.00 O ATOM 0 H GLY A 25 0.436 -0.790 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.650 0.083 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.257 -1.440 6.690 1.00 0.00 H new ATOM 366 N TRP A 26 3.625 0.992 5.977 1.00 0.00 N ATOM 367 CA TRP A 26 4.552 1.762 5.155 1.00 0.00 C ATOM 368 C TRP A 26 5.401 0.842 4.284 1.00 0.00 C ATOM 369 O TRP A 26 6.405 0.294 4.739 1.00 0.00 O ATOM 370 CB TRP A 26 5.454 2.625 6.038 1.00 0.00 C ATOM 371 CG TRP A 26 4.723 3.739 6.725 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.117 3.689 7.948 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.521 5.066 6.228 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.550 4.906 8.241 1.00 0.00 N ATOM 375 CE2 TRP A 26 3.785 5.768 7.202 1.00 0.00 C ATOM 376 CE3 TRP A 26 4.892 5.730 5.056 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.413 7.099 7.037 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.522 7.051 4.894 1.00 0.00 C ATOM 379 CH2 TRP A 26 3.789 7.725 5.880 1.00 0.00 C ATOM 0 H TRP A 26 3.776 1.084 6.982 1.00 0.00 H new ATOM 0 HA TRP A 26 3.967 2.411 4.503 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.927 1.993 6.789 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.253 3.046 5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.088 2.821 8.590 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.037 5.131 9.094 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.458 5.220 4.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.847 7.619 7.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.803 7.574 3.991 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.516 8.758 5.724 1.00 0.00 H new ATOM 390 N LEU A 27 4.992 0.677 3.031 1.00 0.00 N ATOM 391 CA LEU A 27 5.716 -0.178 2.097 1.00 0.00 C ATOM 392 C LEU A 27 6.705 0.636 1.269 1.00 0.00 C ATOM 393 O LEU A 27 6.599 1.860 1.183 1.00 0.00 O ATOM 394 CB LEU A 27 4.735 -0.902 1.172 1.00 0.00 C ATOM 395 CG LEU A 27 5.352 -1.889 0.181 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.917 -3.097 0.912 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.321 -2.322 -0.852 1.00 0.00 C ATOM 0 H LEU A 27 4.163 1.124 2.638 1.00 0.00 H new ATOM 0 HA LEU A 27 6.273 -0.915 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.014 -1.439 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.177 -0.153 0.609 1.00 0.00 H new ATOM 0 HG LEU A 27 6.170 -1.390 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.352 -3.788 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.687 -2.772 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.118 -3.598 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.777 -3.024 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.482 -2.803 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.964 -1.449 -1.398 1.00 0.00 H new ATOM 409 N TYR A 28 7.666 -0.051 0.662 1.00 0.00 N ATOM 410 CA TYR A 28 8.675 0.609 -0.159 1.00 0.00 C ATOM 411 C TYR A 28 8.482 0.273 -1.634 1.00 0.00 C ATOM 412 O TYR A 28 8.506 -0.894 -2.027 1.00 0.00 O ATOM 413 CB TYR A 28 10.078 0.195 0.290 1.00 0.00 C ATOM 414 CG TYR A 28 10.285 0.281 1.785 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.490 1.506 2.409 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.275 -0.862 2.575 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.681 1.590 3.774 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.463 -0.788 3.942 1.00 0.00 C ATOM 419 CZ TYR A 28 10.666 0.440 4.536 1.00 0.00 C ATOM 420 OH TYR A 28 10.854 0.519 5.897 1.00 0.00 O ATOM 0 H TYR A 28 7.768 -1.064 0.723 1.00 0.00 H new ATOM 0 HA TYR A 28 8.562 1.686 -0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.268 -0.827 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.812 0.830 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.500 2.408 1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.118 -1.825 2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.841 2.550 4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.451 -1.686 4.542 1.00 0.00 H new ATOM 0 HH TYR A 28 11.193 -0.338 6.231 1.00 0.00 H new ATOM 430 N LYS A 29 8.290 1.305 -2.449 1.00 0.00 N ATOM 431 CA LYS A 29 8.094 1.124 -3.882 1.00 0.00 C ATOM 432 C LYS A 29 9.315 1.599 -4.663 1.00 0.00 C ATOM 433 O LYS A 29 10.036 2.492 -4.220 1.00 0.00 O ATOM 434 CB LYS A 29 6.850 1.884 -4.348 1.00 0.00 C ATOM 435 CG LYS A 29 6.652 1.861 -5.854 1.00 0.00 C ATOM 436 CD LYS A 29 5.181 1.948 -6.224 1.00 0.00 C ATOM 437 CE LYS A 29 4.729 3.392 -6.379 1.00 0.00 C ATOM 438 NZ LYS A 29 5.133 3.961 -7.694 1.00 0.00 N ATOM 0 H LYS A 29 8.266 2.277 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 29 7.955 0.060 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.971 1.454 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.921 2.919 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.192 2.693 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.078 0.945 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.007 1.409 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.582 1.459 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.645 3.446 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.155 3.994 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.807 4.946 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.169 3.933 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.706 3.402 -8.460 1.00 0.00 H new ATOM 571 N TRP A 38 14.395 2.878 -3.837 1.00 0.00 N ATOM 572 CA TRP A 38 13.163 2.662 -3.087 1.00 0.00 C ATOM 573 C TRP A 38 12.664 3.964 -2.472 1.00 0.00 C ATOM 574 O TRP A 38 13.405 4.944 -2.382 1.00 0.00 O ATOM 575 CB TRP A 38 13.386 1.618 -1.991 1.00 0.00 C ATOM 576 CG TRP A 38 14.108 0.396 -2.473 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.455 0.174 -2.437 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.522 -0.769 -3.063 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.742 -1.060 -2.970 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.573 -1.659 -3.361 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.212 -1.149 -3.367 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.352 -2.901 -3.948 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.995 -2.382 -3.951 1.00 0.00 C ATOM 584 CH2 TRP A 38 13.060 -3.247 -4.235 1.00 0.00 C ATOM 0 HA TRP A 38 12.405 2.296 -3.779 1.00 0.00 H new ATOM 0 HB2 TRP A 38 13.955 2.070 -1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.421 1.322 -1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.187 0.866 -2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.674 -1.464 -3.060 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.384 -0.491 -3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 15.172 -3.568 -4.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.987 -2.684 -4.193 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.857 -4.206 -4.689 1.00 0.00 H new ATOM 595 N LYS A 39 11.405 3.970 -2.048 1.00 0.00 N ATOM 596 CA LYS A 39 10.807 5.152 -1.440 1.00 0.00 C ATOM 597 C LYS A 39 9.783 4.759 -0.380 1.00 0.00 C ATOM 598 O LYS A 39 9.025 3.805 -0.557 1.00 0.00 O ATOM 599 CB LYS A 39 10.142 6.021 -2.509 1.00 0.00 C ATOM 600 CG LYS A 39 11.087 6.450 -3.619 1.00 0.00 C ATOM 601 CD LYS A 39 12.058 7.516 -3.142 1.00 0.00 C ATOM 602 CE LYS A 39 13.343 7.504 -3.956 1.00 0.00 C ATOM 603 NZ LYS A 39 13.244 8.372 -5.162 1.00 0.00 N ATOM 0 H LYS A 39 10.778 3.168 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 39 11.601 5.723 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.308 5.471 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.725 6.909 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.643 5.585 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.511 6.832 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.588 8.497 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.291 7.353 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.171 7.842 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.570 6.483 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.139 8.337 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.470 8.035 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.053 9.352 -4.870 1.00 0.00 H new ATOM 617 N LYS A 40 9.765 5.501 0.723 1.00 0.00 N ATOM 618 CA LYS A 40 8.832 5.232 1.811 1.00 0.00 C ATOM 619 C LYS A 40 7.478 5.880 1.539 1.00 0.00 C ATOM 620 O LYS A 40 7.400 7.066 1.216 1.00 0.00 O ATOM 621 CB LYS A 40 9.399 5.748 3.135 1.00 0.00 C ATOM 622 CG LYS A 40 8.443 5.599 4.306 1.00 0.00 C ATOM 623 CD LYS A 40 8.624 4.263 5.007 1.00 0.00 C ATOM 624 CE LYS A 40 8.158 4.325 6.454 1.00 0.00 C ATOM 625 NZ LYS A 40 9.181 4.945 7.340 1.00 0.00 N ATOM 0 H LYS A 40 10.386 6.293 0.887 1.00 0.00 H new ATOM 0 HA LYS A 40 8.692 4.153 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.321 5.212 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.661 6.800 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.608 6.409 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.416 5.689 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.064 3.493 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.674 3.973 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.232 4.897 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.934 3.318 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.826 4.969 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.057 4.385 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.376 5.915 7.019 1.00 0.00 H new ATOM 639 N ARG A 41 6.414 5.096 1.673 1.00 0.00 N ATOM 640 CA ARG A 41 5.063 5.594 1.442 1.00 0.00 C ATOM 641 C ARG A 41 4.039 4.762 2.208 1.00 0.00 C ATOM 642 O ARG A 41 4.268 3.587 2.494 1.00 0.00 O ATOM 643 CB ARG A 41 4.738 5.573 -0.053 1.00 0.00 C ATOM 644 CG ARG A 41 3.454 6.307 -0.406 1.00 0.00 C ATOM 645 CD ARG A 41 3.695 7.798 -0.582 1.00 0.00 C ATOM 646 NE ARG A 41 4.790 8.070 -1.510 1.00 0.00 N ATOM 647 CZ ARG A 41 5.397 9.247 -1.606 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.019 10.257 -0.833 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.385 9.417 -2.475 1.00 0.00 N ATOM 0 H ARG A 41 6.461 4.113 1.940 1.00 0.00 H new ATOM 0 HA ARG A 41 5.014 6.621 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.566 6.021 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.658 4.538 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.038 5.894 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.715 6.147 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.784 8.272 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.921 8.245 0.386 1.00 0.00 H new ATOM 0 HE ARG A 41 5.106 7.314 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.260 10.130 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.487 11.160 -0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.679 8.643 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.850 10.322 -2.548 1.00 0.00 H new ATOM 663 N TRP A 42 2.910 5.380 2.537 1.00 0.00 N ATOM 664 CA TRP A 42 1.851 4.697 3.271 1.00 0.00 C ATOM 665 C TRP A 42 0.948 3.915 2.322 1.00 0.00 C ATOM 666 O TRP A 42 0.170 4.500 1.568 1.00 0.00 O ATOM 667 CB TRP A 42 1.022 5.705 4.068 1.00 0.00 C ATOM 668 CG TRP A 42 0.012 5.063 4.971 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.332 5.300 4.997 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.268 4.079 5.979 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.928 4.523 5.961 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.968 3.765 6.577 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.420 3.432 6.434 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -1.082 2.833 7.605 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.306 2.508 7.455 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.063 2.215 8.031 1.00 0.00 C ATOM 0 H TRP A 42 2.705 6.352 2.307 1.00 0.00 H new ATOM 0 HA TRP A 42 2.317 3.994 3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.692 6.323 4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.508 6.370 3.375 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.851 5.996 4.354 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.924 4.512 6.182 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.382 3.650 5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.039 2.606 8.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.190 2.003 7.815 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.007 1.487 8.827 1.00 0.00 H new ATOM 687 N PHE A 43 1.057 2.592 2.364 1.00 0.00 N ATOM 688 CA PHE A 43 0.251 1.730 1.507 1.00 0.00 C ATOM 689 C PHE A 43 -0.910 1.120 2.287 1.00 0.00 C ATOM 690 O PHE A 43 -0.921 1.133 3.518 1.00 0.00 O ATOM 691 CB PHE A 43 1.116 0.620 0.906 1.00 0.00 C ATOM 692 CG PHE A 43 1.848 1.037 -0.337 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.012 1.784 -0.254 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.372 0.683 -1.589 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.689 2.169 -1.396 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.045 1.065 -2.735 1.00 0.00 C ATOM 697 CZ PHE A 43 3.204 1.810 -2.638 1.00 0.00 C ATOM 0 H PHE A 43 1.696 2.093 2.983 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.157 2.340 0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.840 0.291 1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.484 -0.238 0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.395 2.069 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.465 0.102 -1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.596 2.750 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.665 0.781 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.730 2.111 -3.532 1.00 0.00 H new ATOM 707 N VAL A 44 -1.888 0.588 1.561 1.00 0.00 N ATOM 708 CA VAL A 44 -3.054 -0.028 2.183 1.00 0.00 C ATOM 709 C VAL A 44 -3.711 -1.034 1.244 1.00 0.00 C ATOM 710 O VAL A 44 -4.002 -0.723 0.088 1.00 0.00 O ATOM 711 CB VAL A 44 -4.095 1.031 2.593 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.406 0.366 2.985 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.562 1.889 3.730 1.00 0.00 C ATOM 0 H VAL A 44 -1.896 0.571 0.541 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.701 -0.545 3.075 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.285 1.679 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.130 1.129 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.793 -0.202 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.236 -0.307 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.310 2.632 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.342 1.257 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.651 2.394 3.409 1.00 0.00 H new ATOM 723 N LEU A 45 -3.942 -2.241 1.749 1.00 0.00 N ATOM 724 CA LEU A 45 -4.566 -3.295 0.956 1.00 0.00 C ATOM 725 C LEU A 45 -6.052 -3.413 1.280 1.00 0.00 C ATOM 726 O LEU A 45 -6.433 -4.043 2.267 1.00 0.00 O ATOM 727 CB LEU A 45 -3.868 -4.632 1.209 1.00 0.00 C ATOM 728 CG LEU A 45 -3.867 -5.620 0.043 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.213 -6.319 -0.066 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.526 -4.909 -1.259 1.00 0.00 C ATOM 0 H LEU A 45 -3.707 -2.514 2.703 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.463 -3.033 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.834 -4.432 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.344 -5.111 2.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.103 -6.374 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.193 -7.018 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.417 -6.862 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.995 -5.578 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.530 -5.628 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.266 -4.133 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.538 -4.456 -1.178 1.00 0.00 H new ATOM 742 N SER A 46 -6.886 -2.807 0.442 1.00 0.00 N ATOM 743 CA SER A 46 -8.330 -2.843 0.641 1.00 0.00 C ATOM 744 C SER A 46 -9.054 -3.086 -0.680 1.00 0.00 C ATOM 745 O SER A 46 -8.523 -2.800 -1.753 1.00 0.00 O ATOM 746 CB SER A 46 -8.813 -1.534 1.267 1.00 0.00 C ATOM 747 OG SER A 46 -8.963 -0.523 0.285 1.00 0.00 O ATOM 0 H SER A 46 -6.587 -2.285 -0.382 1.00 0.00 H new ATOM 0 HA SER A 46 -8.558 -3.666 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.765 -1.698 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.102 -1.206 2.025 1.00 0.00 H new ATOM 0 HG SER A 46 -8.131 -0.437 -0.226 1.00 0.00 H new ATOM 753 N ASP A 47 -10.269 -3.615 -0.592 1.00 0.00 N ATOM 754 CA ASP A 47 -11.068 -3.896 -1.779 1.00 0.00 C ATOM 755 C ASP A 47 -10.202 -4.477 -2.892 1.00 0.00 C ATOM 756 O ASP A 47 -10.255 -4.024 -4.036 1.00 0.00 O ATOM 757 CB ASP A 47 -11.761 -2.622 -2.268 1.00 0.00 C ATOM 758 CG ASP A 47 -12.753 -2.893 -3.381 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.799 -3.516 -3.105 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.483 -2.482 -4.530 1.00 0.00 O ATOM 0 H ASP A 47 -10.722 -3.858 0.289 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.826 -4.632 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.277 -2.149 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.009 -1.915 -2.619 1.00 0.00 H new ATOM 765 N LEU A 48 -9.404 -5.483 -2.550 1.00 0.00 N ATOM 766 CA LEU A 48 -8.525 -6.126 -3.520 1.00 0.00 C ATOM 767 C LEU A 48 -7.885 -5.095 -4.443 1.00 0.00 C ATOM 768 O LEU A 48 -7.891 -5.252 -5.665 1.00 0.00 O ATOM 769 CB LEU A 48 -9.306 -7.151 -4.344 1.00 0.00 C ATOM 770 CG LEU A 48 -10.218 -8.092 -3.557 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.248 -8.730 -4.475 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.398 -9.161 -2.849 1.00 0.00 C ATOM 0 H LEU A 48 -9.348 -5.871 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.733 -6.637 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.914 -6.614 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.593 -7.754 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.746 -7.508 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.888 -9.396 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.857 -7.952 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.739 -9.300 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.064 -9.822 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.843 -9.741 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.700 -8.687 -2.159 1.00 0.00 H new ATOM 784 N CYS A 49 -7.332 -4.042 -3.852 1.00 0.00 N ATOM 785 CA CYS A 49 -6.686 -2.984 -4.621 1.00 0.00 C ATOM 786 C CYS A 49 -5.589 -2.310 -3.804 1.00 0.00 C ATOM 787 O CYS A 49 -5.468 -2.538 -2.600 1.00 0.00 O ATOM 788 CB CYS A 49 -7.718 -1.947 -5.067 1.00 0.00 C ATOM 789 SG CYS A 49 -7.211 -0.973 -6.504 1.00 0.00 S ATOM 0 H CYS A 49 -7.318 -3.898 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.231 -3.435 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.653 -2.457 -5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.921 -1.271 -4.236 1.00 0.00 H new ATOM 0 HG CYS A 49 -6.000 -1.301 -6.845 1.00 0.00 H new ATOM 795 N LEU A 50 -4.791 -1.480 -4.467 1.00 0.00 N ATOM 796 CA LEU A 50 -3.701 -0.773 -3.802 1.00 0.00 C ATOM 797 C LEU A 50 -4.000 0.720 -3.707 1.00 0.00 C ATOM 798 O LEU A 50 -4.366 1.355 -4.695 1.00 0.00 O ATOM 799 CB LEU A 50 -2.389 -0.995 -4.556 1.00 0.00 C ATOM 800 CG LEU A 50 -1.566 -2.210 -4.127 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.258 -2.270 -4.901 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.299 -2.172 -2.629 1.00 0.00 C ATOM 0 H LEU A 50 -4.878 -1.280 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.604 -1.171 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.615 -1.091 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.772 -0.104 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.139 -3.110 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.314 -3.141 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.470 -2.346 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.320 -1.366 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.712 -3.044 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.747 -1.266 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.247 -2.179 -2.090 1.00 0.00 H new ATOM 814 N PHE A 51 -3.838 1.274 -2.510 1.00 0.00 N ATOM 815 CA PHE A 51 -4.089 2.693 -2.285 1.00 0.00 C ATOM 816 C PHE A 51 -3.006 3.303 -1.399 1.00 0.00 C ATOM 817 O PHE A 51 -2.686 2.772 -0.335 1.00 0.00 O ATOM 818 CB PHE A 51 -5.462 2.894 -1.641 1.00 0.00 C ATOM 819 CG PHE A 51 -6.592 2.326 -2.451 1.00 0.00 C ATOM 820 CD1 PHE A 51 -7.038 2.972 -3.593 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.209 1.145 -2.070 1.00 0.00 C ATOM 822 CE1 PHE A 51 -8.077 2.451 -4.340 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.249 0.619 -2.813 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.684 1.273 -3.949 1.00 0.00 C ATOM 0 H PHE A 51 -3.534 0.763 -1.681 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.071 3.197 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.463 2.430 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.632 3.960 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.568 3.894 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.873 0.630 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.414 2.964 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.721 -0.302 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.497 0.864 -4.531 1.00 0.00 H new ATOM 834 N TYR A 52 -2.444 4.421 -1.847 1.00 0.00 N ATOM 835 CA TYR A 52 -1.395 5.102 -1.097 1.00 0.00 C ATOM 836 C TYR A 52 -1.750 6.569 -0.874 1.00 0.00 C ATOM 837 O TYR A 52 -2.612 7.122 -1.557 1.00 0.00 O ATOM 838 CB TYR A 52 -0.060 4.996 -1.837 1.00 0.00 C ATOM 839 CG TYR A 52 -0.173 5.233 -3.326 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.396 6.509 -3.831 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.057 4.183 -4.228 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.500 6.730 -5.191 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.158 4.396 -5.589 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.380 5.671 -6.066 1.00 0.00 C ATOM 845 OH TYR A 52 -0.483 5.887 -7.421 1.00 0.00 O ATOM 0 H TYR A 52 -2.697 4.874 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.304 4.617 -0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.638 5.718 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.363 4.006 -1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.489 7.341 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.115 3.183 -3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.674 7.727 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.064 3.568 -6.276 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.374 5.037 -7.897 1.00 0.00 H new ATOM 855 N TYR A 53 -1.079 7.193 0.088 1.00 0.00 N ATOM 856 CA TYR A 53 -1.324 8.595 0.404 1.00 0.00 C ATOM 857 C TYR A 53 -0.045 9.277 0.881 1.00 0.00 C ATOM 858 O TYR A 53 0.845 8.633 1.438 1.00 0.00 O ATOM 859 CB TYR A 53 -2.409 8.716 1.476 1.00 0.00 C ATOM 860 CG TYR A 53 -3.419 7.591 1.444 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.027 6.272 1.635 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.767 7.849 1.223 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.947 5.242 1.605 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.694 6.825 1.194 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.279 5.523 1.385 1.00 0.00 C ATOM 866 OH TYR A 53 -6.199 4.500 1.356 1.00 0.00 O ATOM 0 H TYR A 53 -0.362 6.750 0.662 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.663 9.092 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.937 8.741 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.930 9.665 1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.985 6.048 1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.095 8.867 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.625 4.222 1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.738 7.042 1.023 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.092 4.868 1.192 1.00 0.00 H new ATOM 876 N ARG A 54 0.039 10.584 0.657 1.00 0.00 N ATOM 877 CA ARG A 54 1.209 11.355 1.062 1.00 0.00 C ATOM 878 C ARG A 54 1.728 10.883 2.417 1.00 0.00 C ATOM 879 O ARG A 54 2.929 10.674 2.594 1.00 0.00 O ATOM 880 CB ARG A 54 0.867 12.845 1.126 1.00 0.00 C ATOM 881 CG ARG A 54 0.914 13.539 -0.226 1.00 0.00 C ATOM 882 CD ARG A 54 1.281 15.008 -0.085 1.00 0.00 C ATOM 883 NE ARG A 54 1.538 15.634 -1.379 1.00 0.00 N ATOM 884 CZ ARG A 54 2.038 16.857 -1.517 1.00 0.00 C ATOM 885 NH1 ARG A 54 2.335 17.580 -0.446 1.00 0.00 N ATOM 886 NH2 ARG A 54 2.244 17.358 -2.728 1.00 0.00 N ATOM 0 H ARG A 54 -0.689 11.131 0.197 1.00 0.00 H new ATOM 0 HA ARG A 54 1.991 11.200 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.130 12.962 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.563 13.340 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.641 13.041 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.056 13.450 -0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.472 15.537 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.165 15.102 0.545 1.00 0.00 H new ATOM 0 HE ARG A 54 1.322 15.103 -2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.180 17.197 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.719 18.519 -0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.018 16.804 -3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.628 18.297 -2.833 1.00 0.00 H new ATOM 900 N ASP A 55 0.817 10.718 3.369 1.00 0.00 N ATOM 901 CA ASP A 55 1.183 10.270 4.708 1.00 0.00 C ATOM 902 C ASP A 55 0.117 9.341 5.280 1.00 0.00 C ATOM 903 O ASP A 55 -0.874 9.036 4.618 1.00 0.00 O ATOM 904 CB ASP A 55 1.381 11.471 5.634 1.00 0.00 C ATOM 905 CG ASP A 55 2.109 12.613 4.953 1.00 0.00 C ATOM 906 OD1 ASP A 55 3.356 12.636 5.003 1.00 0.00 O ATOM 907 OD2 ASP A 55 1.430 13.485 4.371 1.00 0.00 O ATOM 0 H ASP A 55 -0.180 10.888 3.239 1.00 0.00 H new ATOM 0 HA ASP A 55 2.120 9.718 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.410 11.820 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.943 11.159 6.514 1.00 0.00 H new ATOM 912 N GLU A 56 0.329 8.894 6.514 1.00 0.00 N ATOM 913 CA GLU A 56 -0.613 7.998 7.174 1.00 0.00 C ATOM 914 C GLU A 56 -1.949 8.694 7.414 1.00 0.00 C ATOM 915 O GLU A 56 -2.952 8.050 7.721 1.00 0.00 O ATOM 916 CB GLU A 56 -0.037 7.504 8.503 1.00 0.00 C ATOM 917 CG GLU A 56 -0.033 8.561 9.594 1.00 0.00 C ATOM 918 CD GLU A 56 1.228 9.404 9.585 1.00 0.00 C ATOM 919 OE1 GLU A 56 2.332 8.822 9.568 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.109 10.647 9.594 1.00 0.00 O ATOM 0 H GLU A 56 1.144 9.138 7.076 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.781 7.143 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.615 6.645 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.984 7.157 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.900 9.210 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.135 8.076 10.565 1.00 0.00 H new ATOM 927 N LYS A 57 -1.955 10.015 7.272 1.00 0.00 N ATOM 928 CA LYS A 57 -3.166 10.802 7.472 1.00 0.00 C ATOM 929 C LYS A 57 -4.236 10.422 6.454 1.00 0.00 C ATOM 930 O LYS A 57 -5.431 10.506 6.735 1.00 0.00 O ATOM 931 CB LYS A 57 -2.853 12.296 7.365 1.00 0.00 C ATOM 932 CG LYS A 57 -2.023 12.828 8.521 1.00 0.00 C ATOM 933 CD LYS A 57 -2.901 13.301 9.667 1.00 0.00 C ATOM 934 CE LYS A 57 -2.113 13.415 10.963 1.00 0.00 C ATOM 935 NZ LYS A 57 -2.894 14.101 12.029 1.00 0.00 N ATOM 0 H LYS A 57 -1.133 10.564 7.019 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.547 10.588 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.322 12.481 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.789 12.852 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.349 12.048 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.401 13.653 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.336 14.269 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.729 12.605 9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.830 12.419 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.189 13.964 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.322 14.159 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.143 15.060 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.763 13.564 12.223 1.00 0.00 H new ATOM 949 N GLU A 58 -3.798 10.002 5.271 1.00 0.00 N ATOM 950 CA GLU A 58 -4.720 9.608 4.212 1.00 0.00 C ATOM 951 C GLU A 58 -5.674 10.749 3.869 1.00 0.00 C ATOM 952 O GLU A 58 -6.876 10.540 3.713 1.00 0.00 O ATOM 953 CB GLU A 58 -5.517 8.372 4.632 1.00 0.00 C ATOM 954 CG GLU A 58 -4.688 7.099 4.678 1.00 0.00 C ATOM 955 CD GLU A 58 -5.203 6.104 5.699 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.675 6.540 6.769 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.134 4.887 5.427 1.00 0.00 O ATOM 0 H GLU A 58 -2.812 9.926 5.022 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.133 9.369 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.952 8.548 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.345 8.231 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.687 6.635 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.654 7.352 4.912 1.00 0.00 H new ATOM 964 N GLU A 59 -5.127 11.955 3.753 1.00 0.00 N ATOM 965 CA GLU A 59 -5.929 13.129 3.431 1.00 0.00 C ATOM 966 C GLU A 59 -6.565 12.991 2.050 1.00 0.00 C ATOM 967 O GLU A 59 -7.749 13.272 1.869 1.00 0.00 O ATOM 968 CB GLU A 59 -5.068 14.393 3.483 1.00 0.00 C ATOM 969 CG GLU A 59 -4.598 14.752 4.883 1.00 0.00 C ATOM 970 CD GLU A 59 -5.747 15.074 5.819 1.00 0.00 C ATOM 971 OE1 GLU A 59 -6.654 15.827 5.409 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.737 14.572 6.963 1.00 0.00 O ATOM 0 H GLU A 59 -4.132 12.144 3.877 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.724 13.209 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.198 14.257 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.638 15.228 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.022 13.922 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.927 15.610 4.828 1.00 0.00 H new ATOM 979 N GLY A 60 -5.768 12.556 1.079 1.00 0.00 N ATOM 980 CA GLY A 60 -6.269 12.388 -0.273 1.00 0.00 C ATOM 981 C GLY A 60 -5.412 11.448 -1.097 1.00 0.00 C ATOM 982 O GLY A 60 -4.232 11.715 -1.328 1.00 0.00 O ATOM 0 H GLY A 60 -4.784 12.317 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.289 12.005 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.312 13.360 -0.764 1.00 0.00 H new ATOM 986 N ILE A 61 -6.004 10.344 -1.539 1.00 0.00 N ATOM 987 CA ILE A 61 -5.286 9.361 -2.341 1.00 0.00 C ATOM 988 C ILE A 61 -4.630 10.014 -3.553 1.00 0.00 C ATOM 989 O ILE A 61 -5.292 10.687 -4.344 1.00 0.00 O ATOM 990 CB ILE A 61 -6.221 8.236 -2.823 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.710 7.406 -1.634 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.509 7.353 -3.836 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.667 6.301 -2.022 1.00 0.00 C ATOM 0 H ILE A 61 -6.979 10.108 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.516 8.933 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.087 8.686 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.849 6.969 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.200 8.066 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.183 6.563 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.206 7.954 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.627 6.908 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.972 5.754 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.546 6.732 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.174 5.619 -2.715 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.325 9.810 -3.693 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.577 10.378 -4.809 1.00 0.00 C ATOM 1007 C LEU A 62 -2.731 9.518 -6.060 1.00 0.00 C ATOM 1008 O LEU A 62 -2.569 10.000 -7.181 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.097 10.507 -4.445 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.792 10.845 -2.985 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.700 11.060 -2.787 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.573 12.076 -2.549 1.00 0.00 C ATOM 0 H LEU A 62 -2.763 9.255 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.981 11.369 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.600 9.569 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.654 11.278 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.102 10.004 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.898 11.300 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.238 10.152 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.036 11.883 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.344 12.302 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.294 12.924 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.641 11.885 -2.652 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.047 8.242 -5.860 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.220 7.337 -6.981 1.00 0.00 C ATOM 1026 C GLY A 63 -3.491 5.912 -6.539 1.00 0.00 C ATOM 1027 O GLY A 63 -2.932 5.447 -5.545 1.00 0.00 O ATOM 0 H GLY A 63 -3.186 7.819 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.046 7.685 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.325 7.357 -7.602 1.00 0.00 H new ATOM 1031 N SER A 64 -4.351 5.218 -7.277 1.00 0.00 N ATOM 1032 CA SER A 64 -4.699 3.840 -6.952 1.00 0.00 C ATOM 1033 C SER A 64 -4.035 2.869 -7.924 1.00 0.00 C ATOM 1034 O SER A 64 -3.778 3.209 -9.079 1.00 0.00 O ATOM 1035 CB SER A 64 -6.217 3.654 -6.985 1.00 0.00 C ATOM 1036 OG SER A 64 -6.771 4.185 -8.177 1.00 0.00 O ATOM 0 H SER A 64 -4.820 5.587 -8.104 1.00 0.00 H new ATOM 0 HA SER A 64 -4.336 3.626 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.458 2.594 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.665 4.145 -6.122 1.00 0.00 H new ATOM 0 HG SER A 64 -7.742 4.052 -8.174 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.762 1.659 -7.447 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.129 0.638 -8.272 1.00 0.00 C ATOM 1044 C ILE A 65 -3.935 -0.656 -8.259 1.00 0.00 C ATOM 1045 O ILE A 65 -4.190 -1.231 -7.200 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.694 0.341 -7.799 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.749 1.465 -8.229 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.221 -0.996 -8.350 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.619 1.383 -7.587 1.00 0.00 C ATOM 0 H ILE A 65 -3.969 1.362 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.093 1.031 -9.288 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.690 0.285 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.635 1.438 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.202 2.425 -7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.205 -1.192 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.882 -1.789 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.237 -0.967 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.236 2.211 -7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.516 1.440 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.092 0.439 -7.857 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.332 -1.112 -9.442 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.108 -2.340 -9.568 1.00 0.00 C ATOM 1063 C LEU A 66 -4.200 -3.565 -9.520 1.00 0.00 C ATOM 1064 O LEU A 66 -3.433 -3.820 -10.450 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.904 -2.333 -10.874 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.310 -1.737 -10.800 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.185 -2.549 -9.858 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.251 -0.283 -10.354 1.00 0.00 C ATOM 0 H LEU A 66 -4.129 -0.649 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.801 -2.390 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.335 -1.778 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.984 -3.359 -11.233 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.751 -1.773 -11.796 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.182 -2.110 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.255 -3.575 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.747 -2.545 -8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.261 0.124 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.789 -0.223 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.660 0.293 -11.067 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.293 -4.321 -8.432 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.481 -5.522 -8.263 1.00 0.00 C ATOM 1082 C LEU A 67 -3.925 -6.619 -9.225 1.00 0.00 C ATOM 1083 O LEU A 67 -3.109 -7.308 -9.839 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.573 -6.024 -6.821 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.592 -5.398 -5.829 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.905 -5.852 -4.411 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.159 -5.752 -6.200 1.00 0.00 C ATOM 0 H LEU A 67 -4.922 -4.124 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.445 -5.266 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.586 -5.848 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.418 -7.103 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.701 -4.314 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.197 -5.397 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.918 -5.548 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.825 -6.937 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.475 -5.298 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.036 -6.835 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.939 -5.377 -7.199 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.249 -6.785 -9.363 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.831 -7.795 -10.252 1.00 0.00 C ATOM 1101 C PRO A 68 -5.200 -7.779 -11.640 1.00 0.00 C ATOM 1102 O PRO A 68 -5.196 -8.790 -12.342 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.305 -7.392 -10.330 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.565 -6.658 -9.060 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.279 -6.000 -8.663 1.00 0.00 C ATOM 0 HA PRO A 68 -5.671 -8.807 -9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.498 -6.762 -11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.950 -8.266 -10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.351 -5.916 -9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.905 -7.342 -8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.256 -4.953 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.135 -6.024 -7.583 1.00 0.00 H new ATOM 1113 N SER A 69 -4.668 -6.626 -12.030 1.00 0.00 N ATOM 1114 CA SER A 69 -4.037 -6.477 -13.336 1.00 0.00 C ATOM 1115 C SER A 69 -2.540 -6.759 -13.251 1.00 0.00 C ATOM 1116 O SER A 69 -1.905 -7.109 -14.247 1.00 0.00 O ATOM 1117 CB SER A 69 -4.272 -5.068 -13.883 1.00 0.00 C ATOM 1118 OG SER A 69 -5.637 -4.867 -14.204 1.00 0.00 O ATOM 0 H SER A 69 -4.661 -5.780 -11.460 1.00 0.00 H new ATOM 0 HA SER A 69 -4.488 -7.201 -14.014 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.956 -4.331 -13.145 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.660 -4.912 -14.771 1.00 0.00 H new ATOM 0 HG SER A 69 -5.761 -3.959 -14.550 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.981 -6.604 -12.055 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.559 -6.840 -11.839 1.00 0.00 C ATOM 1126 C PHE A 70 -0.280 -8.324 -11.625 1.00 0.00 C ATOM 1127 O PHE A 70 -1.163 -9.079 -11.218 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.064 -6.037 -10.634 1.00 0.00 C ATOM 1129 CG PHE A 70 0.439 -4.668 -10.991 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.635 -4.512 -11.675 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.282 -3.537 -10.644 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.101 -3.253 -12.004 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.179 -2.276 -10.971 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.372 -2.134 -11.652 1.00 0.00 C ATOM 0 H PHE A 70 -2.492 -6.316 -11.221 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.023 -6.513 -12.730 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.876 -5.940 -9.914 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.735 -6.592 -10.141 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.209 -5.384 -11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.216 -3.642 -10.111 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.035 -3.144 -12.536 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.393 -1.403 -10.694 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.734 -1.150 -11.909 1.00 0.00 H new ATOM 1144 N GLN A 71 0.953 -8.735 -11.902 1.00 0.00 N ATOM 1145 CA GLN A 71 1.348 -10.130 -11.741 1.00 0.00 C ATOM 1146 C GLN A 71 2.487 -10.260 -10.736 1.00 0.00 C ATOM 1147 O GLN A 71 3.632 -9.919 -11.034 1.00 0.00 O ATOM 1148 CB GLN A 71 1.769 -10.721 -13.087 1.00 0.00 C ATOM 1149 CG GLN A 71 2.777 -11.853 -12.966 1.00 0.00 C ATOM 1150 CD GLN A 71 2.771 -12.771 -14.172 1.00 0.00 C ATOM 1151 OE1 GLN A 71 1.733 -12.989 -14.796 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.935 -13.316 -14.507 1.00 0.00 N ATOM 0 H GLN A 71 1.696 -8.122 -12.239 1.00 0.00 H new ATOM 0 HA GLN A 71 0.489 -10.684 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.884 -11.088 -13.606 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.196 -9.930 -13.704 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.775 -11.434 -12.838 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.559 -12.435 -12.070 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.771 -13.108 -13.962 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.992 -13.943 -15.310 1.00 0.00 H new ATOM 1161 N ILE A 72 2.165 -10.755 -9.545 1.00 0.00 N ATOM 1162 CA ILE A 72 3.163 -10.931 -8.497 1.00 0.00 C ATOM 1163 C ILE A 72 3.971 -12.205 -8.716 1.00 0.00 C ATOM 1164 O ILE A 72 3.430 -13.309 -8.682 1.00 0.00 O ATOM 1165 CB ILE A 72 2.510 -10.983 -7.103 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.332 -10.010 -7.030 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.536 -10.663 -6.026 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.701 -8.587 -7.387 1.00 0.00 C ATOM 0 H ILE A 72 1.222 -11.041 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 72 3.829 -10.069 -8.546 1.00 0.00 H new ATOM 0 HB ILE A 72 2.134 -11.992 -6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.546 -10.353 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.919 -10.028 -6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.060 -10.704 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.345 -11.392 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.939 -9.664 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.818 -7.953 -7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.465 -8.226 -6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.087 -8.556 -8.406 1.00 0.00 H new ATOM 1180 N ALA A 73 5.272 -12.043 -8.938 1.00 0.00 N ATOM 1181 CA ALA A 73 6.157 -13.180 -9.159 1.00 0.00 C ATOM 1182 C ALA A 73 7.550 -12.907 -8.602 1.00 0.00 C ATOM 1183 O ALA A 73 8.060 -11.790 -8.698 1.00 0.00 O ATOM 1184 CB ALA A 73 6.233 -13.509 -10.642 1.00 0.00 C ATOM 0 H ALA A 73 5.736 -11.135 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 73 5.745 -14.039 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.897 -14.360 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.238 -13.756 -11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.619 -12.647 -11.187 1.00 0.00 H new ATOM 1190 N LEU A 74 8.161 -13.933 -8.020 1.00 0.00 N ATOM 1191 CA LEU A 74 9.496 -13.804 -7.447 1.00 0.00 C ATOM 1192 C LEU A 74 10.498 -13.343 -8.501 1.00 0.00 C ATOM 1193 O LEU A 74 10.529 -13.866 -9.615 1.00 0.00 O ATOM 1194 CB LEU A 74 9.946 -15.137 -6.848 1.00 0.00 C ATOM 1195 CG LEU A 74 9.382 -15.478 -5.468 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.837 -14.456 -4.438 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.862 -15.548 -5.517 1.00 0.00 C ATOM 0 H LEU A 74 7.753 -14.864 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 74 9.455 -13.053 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.670 -15.934 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.034 -15.134 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 74 9.762 -16.456 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.426 -14.715 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.926 -14.454 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.486 -13.466 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.477 -15.792 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.463 -14.584 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.556 -16.318 -6.225 1.00 0.00 H new ATOM 1209 N LEU A 75 11.317 -12.361 -8.140 1.00 0.00 N ATOM 1210 CA LEU A 75 12.323 -11.830 -9.054 1.00 0.00 C ATOM 1211 C LEU A 75 13.074 -12.958 -9.753 1.00 0.00 C ATOM 1212 O LEU A 75 13.004 -14.116 -9.339 1.00 0.00 O ATOM 1213 CB LEU A 75 13.309 -10.939 -8.296 1.00 0.00 C ATOM 1214 CG LEU A 75 12.695 -9.798 -7.483 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.754 -9.123 -6.626 1.00 0.00 C ATOM 1216 CD2 LEU A 75 12.027 -8.787 -8.403 1.00 0.00 C ATOM 0 H LEU A 75 11.304 -11.917 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 75 11.812 -11.235 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.891 -11.567 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.008 -10.511 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 75 11.935 -10.216 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.299 -8.314 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.187 -9.852 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.537 -8.718 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.596 -7.982 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.767 -8.374 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.239 -9.279 -8.973 1.00 0.00 H new ATOM 1377 N TYR A 85 14.127 -10.738 -0.097 1.00 0.00 N ATOM 1378 CA TYR A 85 12.687 -10.885 0.080 1.00 0.00 C ATOM 1379 C TYR A 85 11.930 -9.832 -0.723 1.00 0.00 C ATOM 1380 O TYR A 85 10.935 -9.277 -0.258 1.00 0.00 O ATOM 1381 CB TYR A 85 12.320 -10.774 1.561 1.00 0.00 C ATOM 1382 CG TYR A 85 12.921 -11.866 2.417 1.00 0.00 C ATOM 1383 CD1 TYR A 85 12.381 -13.146 2.425 1.00 0.00 C ATOM 1384 CD2 TYR A 85 14.030 -11.617 3.216 1.00 0.00 C ATOM 1385 CE1 TYR A 85 12.927 -14.146 3.206 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.583 -12.612 3.999 1.00 0.00 C ATOM 1387 CZ TYR A 85 14.028 -13.874 3.991 1.00 0.00 C ATOM 1388 OH TYR A 85 14.575 -14.868 4.770 1.00 0.00 O ATOM 0 HA TYR A 85 12.400 -11.871 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.650 -9.806 1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.235 -10.801 1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.520 -13.363 1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.467 -10.629 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.494 -15.135 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 85 15.446 -12.402 4.614 1.00 0.00 H new ATOM 0 HH TYR A 85 15.345 -14.513 5.261 1.00 0.00 H new ATOM 1398 N ALA A 86 12.408 -9.563 -1.934 1.00 0.00 N ATOM 1399 CA ALA A 86 11.776 -8.579 -2.804 1.00 0.00 C ATOM 1400 C ALA A 86 11.119 -9.250 -4.005 1.00 0.00 C ATOM 1401 O ALA A 86 11.596 -10.275 -4.494 1.00 0.00 O ATOM 1402 CB ALA A 86 12.797 -7.549 -3.265 1.00 0.00 C ATOM 0 H ALA A 86 13.231 -10.013 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 86 10.998 -8.072 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.311 -6.820 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.217 -7.039 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.595 -8.048 -3.814 1.00 0.00 H new ATOM 1408 N PHE A 87 10.022 -8.667 -4.476 1.00 0.00 N ATOM 1409 CA PHE A 87 9.299 -9.211 -5.620 1.00 0.00 C ATOM 1410 C PHE A 87 9.056 -8.133 -6.672 1.00 0.00 C ATOM 1411 O PHE A 87 9.499 -6.993 -6.525 1.00 0.00 O ATOM 1412 CB PHE A 87 7.964 -9.808 -5.169 1.00 0.00 C ATOM 1413 CG PHE A 87 7.293 -9.021 -4.080 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.752 -9.089 -2.775 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.202 -8.215 -4.362 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.136 -8.366 -1.770 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.583 -7.489 -3.361 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.050 -7.566 -2.064 1.00 0.00 C ATOM 0 H PHE A 87 9.614 -7.818 -4.084 1.00 0.00 H new ATOM 0 HA PHE A 87 9.910 -9.997 -6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.294 -9.870 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.130 -10.827 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.601 -9.714 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.831 -8.153 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.504 -8.427 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.735 -6.862 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.566 -7.001 -1.281 1.00 0.00 H new ATOM 1428 N LYS A 88 8.350 -8.501 -7.736 1.00 0.00 N ATOM 1429 CA LYS A 88 8.047 -7.567 -8.814 1.00 0.00 C ATOM 1430 C LYS A 88 6.655 -7.825 -9.382 1.00 0.00 C ATOM 1431 O LYS A 88 6.192 -8.965 -9.421 1.00 0.00 O ATOM 1432 CB LYS A 88 9.093 -7.683 -9.926 1.00 0.00 C ATOM 1433 CG LYS A 88 9.090 -9.032 -10.625 1.00 0.00 C ATOM 1434 CD LYS A 88 9.795 -8.965 -11.969 1.00 0.00 C ATOM 1435 CE LYS A 88 9.237 -9.990 -12.944 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.220 -10.339 -14.007 1.00 0.00 N ATOM 0 H LYS A 88 7.977 -9.440 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 88 8.072 -6.557 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.915 -6.900 -10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.082 -7.504 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.581 -9.772 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.062 -9.366 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.685 -7.965 -12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.862 -9.137 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.955 -10.892 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.330 -9.598 -13.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.801 -11.040 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.470 -9.483 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.076 -10.737 -13.571 1.00 0.00 H new ATOM 1450 N ALA A 89 5.994 -6.760 -9.823 1.00 0.00 N ATOM 1451 CA ALA A 89 4.657 -6.872 -10.391 1.00 0.00 C ATOM 1452 C ALA A 89 4.633 -6.387 -11.837 1.00 0.00 C ATOM 1453 O ALA A 89 4.942 -5.230 -12.118 1.00 0.00 O ATOM 1454 CB ALA A 89 3.659 -6.087 -9.553 1.00 0.00 C ATOM 0 H ALA A 89 6.363 -5.809 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 89 4.373 -7.924 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.665 -6.180 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.647 -6.481 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.949 -5.036 -9.531 1.00 0.00 H new ATOM 1460 N ALA A 90 4.264 -7.280 -12.750 1.00 0.00 N ATOM 1461 CA ALA A 90 4.199 -6.942 -14.166 1.00 0.00 C ATOM 1462 C ALA A 90 2.801 -6.473 -14.554 1.00 0.00 C ATOM 1463 O ALA A 90 1.802 -6.952 -14.017 1.00 0.00 O ATOM 1464 CB ALA A 90 4.610 -8.137 -15.013 1.00 0.00 C ATOM 0 H ALA A 90 4.006 -8.243 -12.534 1.00 0.00 H new ATOM 0 HA ALA A 90 4.894 -6.123 -14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.557 -7.870 -16.069 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.631 -8.426 -14.763 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.937 -8.972 -14.815 1.00 0.00 H new ATOM 1470 N HIS A 91 2.737 -5.532 -15.491 1.00 0.00 N ATOM 1471 CA HIS A 91 1.460 -4.997 -15.951 1.00 0.00 C ATOM 1472 C HIS A 91 1.472 -4.788 -17.463 1.00 0.00 C ATOM 1473 O HIS A 91 2.463 -4.346 -18.045 1.00 0.00 O ATOM 1474 CB HIS A 91 1.151 -3.677 -15.244 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.305 -3.327 -15.238 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.941 -2.733 -16.308 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.251 -3.491 -14.284 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.215 -2.547 -16.012 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.429 -2.998 -14.790 1.00 0.00 N ATOM 0 H HIS A 91 3.554 -5.124 -15.946 1.00 0.00 H new ATOM 0 HA HIS A 91 0.682 -5.721 -15.708 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.507 -3.733 -14.215 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.707 -2.875 -15.730 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.107 -3.928 -13.307 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.956 -2.102 -16.660 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.324 -2.983 -14.301 1.00 0.00 H new ATOM 1488 N PRO A 92 0.345 -5.112 -18.114 1.00 0.00 N ATOM 1489 CA PRO A 92 0.201 -4.968 -19.566 1.00 0.00 C ATOM 1490 C PRO A 92 0.051 -3.512 -19.992 1.00 0.00 C ATOM 1491 O PRO A 92 0.734 -3.049 -20.905 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.078 -5.750 -19.874 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.875 -5.684 -18.617 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.875 -5.644 -17.484 1.00 0.00 C ATOM 0 HA PRO A 92 1.079 -5.331 -20.101 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.620 -5.308 -20.710 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.855 -6.781 -20.148 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.511 -4.799 -18.606 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.531 -6.550 -18.526 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.217 -5.004 -16.670 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.708 -6.635 -17.062 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.847 -2.794 -19.325 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.087 -1.390 -19.635 1.00 0.00 C ATOM 1504 C ASN A 93 -0.171 -0.487 -18.813 1.00 0.00 C ATOM 1505 O ASN A 93 -0.343 0.731 -18.789 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.550 -1.029 -19.369 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.492 -2.177 -19.673 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -4.435 -2.436 -18.925 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.241 -2.873 -20.776 1.00 0.00 N ATOM 0 H ASN A 93 -1.421 -3.162 -18.566 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.868 -1.235 -20.692 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.665 -0.734 -18.326 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.825 -0.166 -19.976 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.841 -3.657 -21.032 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.448 -2.623 -21.367 1.00 0.00 H new ATOM 1516 N MET A 94 0.801 -1.095 -18.141 1.00 0.00 N ATOM 1517 CA MET A 94 1.745 -0.346 -17.320 1.00 0.00 C ATOM 1518 C MET A 94 3.116 -1.015 -17.319 1.00 0.00 C ATOM 1519 O MET A 94 3.336 -1.999 -18.024 1.00 0.00 O ATOM 1520 CB MET A 94 1.222 -0.225 -15.887 1.00 0.00 C ATOM 1521 CG MET A 94 0.317 0.977 -15.670 1.00 0.00 C ATOM 1522 SD MET A 94 -0.074 1.246 -13.930 1.00 0.00 S ATOM 1523 CE MET A 94 -1.284 -0.045 -13.651 1.00 0.00 C ATOM 0 H MET A 94 0.955 -2.103 -18.149 1.00 0.00 H new ATOM 0 HA MET A 94 1.848 0.651 -17.747 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.675 -1.132 -15.631 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.069 -0.160 -15.204 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.800 1.868 -16.072 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.608 0.836 -16.229 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.954 0.253 -12.844 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.861 -0.206 -14.562 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.774 -0.969 -13.377 1.00 0.00 H new ATOM 1533 N ARG A 95 4.032 -0.475 -16.522 1.00 0.00 N ATOM 1534 CA ARG A 95 5.382 -1.020 -16.431 1.00 0.00 C ATOM 1535 C ARG A 95 5.490 -2.013 -15.278 1.00 0.00 C ATOM 1536 O ARG A 95 4.524 -2.246 -14.551 1.00 0.00 O ATOM 1537 CB ARG A 95 6.398 0.108 -16.245 1.00 0.00 C ATOM 1538 CG ARG A 95 6.176 0.925 -14.983 1.00 0.00 C ATOM 1539 CD ARG A 95 7.350 1.851 -14.704 1.00 0.00 C ATOM 1540 NE ARG A 95 7.254 3.099 -15.456 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.646 3.229 -16.718 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.157 2.192 -17.367 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.525 4.398 -17.335 1.00 0.00 N ATOM 0 H ARG A 95 3.865 0.339 -15.930 1.00 0.00 H new ATOM 0 HA ARG A 95 5.599 -1.545 -17.361 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.401 -0.318 -16.220 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.355 0.771 -17.109 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.264 1.513 -15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.030 0.255 -14.136 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.391 2.073 -13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.280 1.344 -14.960 1.00 0.00 H new ATOM 0 HE ARG A 95 6.864 3.916 -14.986 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.250 1.292 -16.897 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.457 2.295 -18.336 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.131 5.198 -16.840 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.826 4.497 -18.304 1.00 0.00 H new ATOM 1557 N THR A 96 6.674 -2.597 -15.116 1.00 0.00 N ATOM 1558 CA THR A 96 6.909 -3.566 -14.053 1.00 0.00 C ATOM 1559 C THR A 96 7.329 -2.875 -12.762 1.00 0.00 C ATOM 1560 O THR A 96 8.335 -2.165 -12.725 1.00 0.00 O ATOM 1561 CB THR A 96 7.992 -4.586 -14.453 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.730 -5.088 -15.768 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.038 -5.741 -13.463 1.00 0.00 C ATOM 0 H THR A 96 7.485 -2.415 -15.708 1.00 0.00 H new ATOM 0 HA THR A 96 5.968 -4.091 -13.890 1.00 0.00 H new ATOM 0 HB THR A 96 8.958 -4.081 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.424 -5.734 -16.016 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.810 -6.449 -13.765 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.266 -5.359 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.071 -6.244 -13.446 1.00 0.00 H new ATOM 1571 N TYR A 97 6.555 -3.087 -11.703 1.00 0.00 N ATOM 1572 CA TYR A 97 6.847 -2.482 -10.409 1.00 0.00 C ATOM 1573 C TYR A 97 7.715 -3.405 -9.560 1.00 0.00 C ATOM 1574 O TYR A 97 7.732 -4.620 -9.762 1.00 0.00 O ATOM 1575 CB TYR A 97 5.548 -2.160 -9.668 1.00 0.00 C ATOM 1576 CG TYR A 97 4.836 -0.936 -10.198 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.688 -0.730 -11.564 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.310 0.015 -9.332 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.039 0.387 -12.052 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.658 1.135 -9.811 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.526 1.316 -11.171 1.00 0.00 C ATOM 1582 OH TYR A 97 2.877 2.430 -11.654 1.00 0.00 O ATOM 0 H TYR A 97 5.721 -3.673 -11.716 1.00 0.00 H new ATOM 0 HA TYR A 97 7.396 -1.557 -10.584 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.879 -3.017 -9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.770 -2.012 -8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.088 -1.456 -12.256 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.413 -0.124 -8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.934 0.532 -13.117 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.254 1.864 -9.124 1.00 0.00 H new ATOM 0 HH TYR A 97 2.575 2.984 -10.904 1.00 0.00 H new ATOM 1592 N TYR A 98 8.435 -2.820 -8.609 1.00 0.00 N ATOM 1593 CA TYR A 98 9.307 -3.588 -7.729 1.00 0.00 C ATOM 1594 C TYR A 98 9.124 -3.165 -6.275 1.00 0.00 C ATOM 1595 O TYR A 98 9.334 -2.004 -5.923 1.00 0.00 O ATOM 1596 CB TYR A 98 10.769 -3.410 -8.143 1.00 0.00 C ATOM 1597 CG TYR A 98 11.176 -4.274 -9.316 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.581 -4.113 -10.561 1.00 0.00 C ATOM 1599 CD2 TYR A 98 12.154 -5.251 -9.178 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.949 -4.900 -11.635 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.529 -6.041 -10.247 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.923 -5.862 -11.473 1.00 0.00 C ATOM 1603 OH TYR A 98 12.293 -6.649 -12.540 1.00 0.00 O ATOM 0 H TYR A 98 8.432 -1.816 -8.428 1.00 0.00 H new ATOM 0 HA TYR A 98 9.036 -4.640 -7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.941 -2.364 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.410 -3.642 -7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.818 -3.360 -10.691 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.629 -5.395 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.476 -4.762 -12.596 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.293 -6.795 -10.124 1.00 0.00 H new ATOM 0 HH TYR A 98 12.992 -7.276 -12.258 1.00 0.00 H new ATOM 1613 N PHE A 99 8.730 -4.115 -5.434 1.00 0.00 N ATOM 1614 CA PHE A 99 8.518 -3.843 -4.017 1.00 0.00 C ATOM 1615 C PHE A 99 9.386 -4.751 -3.152 1.00 0.00 C ATOM 1616 O PHE A 99 9.719 -5.869 -3.547 1.00 0.00 O ATOM 1617 CB PHE A 99 7.043 -4.032 -3.655 1.00 0.00 C ATOM 1618 CG PHE A 99 6.100 -3.365 -4.616 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.716 -4.003 -5.785 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.597 -2.102 -4.350 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.849 -3.391 -6.670 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.729 -1.486 -5.232 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.354 -2.132 -6.393 1.00 0.00 C ATOM 0 H PHE A 99 8.551 -5.081 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 99 8.803 -2.809 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.819 -5.098 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.869 -3.637 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.098 -4.988 -6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.886 -1.593 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.558 -3.897 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.345 -0.501 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.675 -1.654 -7.083 1.00 0.00 H new ATOM 1633 N CYS A 100 9.749 -4.263 -1.971 1.00 0.00 N ATOM 1634 CA CYS A 100 10.579 -5.030 -1.049 1.00 0.00 C ATOM 1635 C CYS A 100 10.280 -4.650 0.397 1.00 0.00 C ATOM 1636 O CYS A 100 9.720 -3.588 0.669 1.00 0.00 O ATOM 1637 CB CYS A 100 12.060 -4.801 -1.354 1.00 0.00 C ATOM 1638 SG CYS A 100 12.693 -3.206 -0.783 1.00 0.00 S ATOM 0 H CYS A 100 9.482 -3.340 -1.629 1.00 0.00 H new ATOM 0 HA CYS A 100 10.347 -6.087 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.643 -5.598 -0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.214 -4.877 -2.430 1.00 0.00 H new ATOM 0 HG CYS A 100 12.914 -2.435 -1.806 1.00 0.00 H new ATOM 1644 N THR A 101 10.656 -5.527 1.324 1.00 0.00 N ATOM 1645 CA THR A 101 10.425 -5.285 2.742 1.00 0.00 C ATOM 1646 C THR A 101 11.722 -5.393 3.536 1.00 0.00 C ATOM 1647 O THR A 101 12.793 -5.610 2.968 1.00 0.00 O ATOM 1648 CB THR A 101 9.398 -6.276 3.322 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.761 -7.617 2.974 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.001 -5.973 2.802 1.00 0.00 C ATOM 0 H THR A 101 11.122 -6.411 1.117 1.00 0.00 H new ATOM 0 HA THR A 101 10.031 -4.273 2.829 1.00 0.00 H new ATOM 0 HB THR A 101 9.396 -6.170 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.940 -8.130 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.293 -6.685 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.716 -4.962 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.992 -6.054 1.715 1.00 0.00 H new ATOM 1658 N ASP A 102 11.619 -5.240 4.852 1.00 0.00 N ATOM 1659 CA ASP A 102 12.785 -5.322 5.725 1.00 0.00 C ATOM 1660 C ASP A 102 13.158 -6.776 5.997 1.00 0.00 C ATOM 1661 O ASP A 102 14.331 -7.147 5.950 1.00 0.00 O ATOM 1662 CB ASP A 102 12.513 -4.596 7.043 1.00 0.00 C ATOM 1663 CG ASP A 102 12.888 -3.128 6.983 1.00 0.00 C ATOM 1664 OD1 ASP A 102 14.096 -2.827 6.882 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.973 -2.280 7.037 1.00 0.00 O ATOM 0 H ASP A 102 10.741 -5.059 5.338 1.00 0.00 H new ATOM 0 HA ASP A 102 13.622 -4.840 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.456 -4.688 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.074 -5.079 7.843 1.00 0.00 H new ATOM 1670 N THR A 103 12.152 -7.596 6.285 1.00 0.00 N ATOM 1671 CA THR A 103 12.374 -9.008 6.568 1.00 0.00 C ATOM 1672 C THR A 103 11.422 -9.887 5.764 1.00 0.00 C ATOM 1673 O THR A 103 10.408 -9.414 5.253 1.00 0.00 O ATOM 1674 CB THR A 103 12.195 -9.316 8.067 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.860 -8.998 8.476 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.189 -8.525 8.904 1.00 0.00 C ATOM 0 H THR A 103 11.175 -7.306 6.328 1.00 0.00 H new ATOM 0 HA THR A 103 13.401 -9.230 6.279 1.00 0.00 H new ATOM 0 HB THR A 103 12.379 -10.379 8.222 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.754 -9.198 9.429 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.044 -8.759 9.959 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.205 -8.790 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.032 -7.458 8.744 1.00 0.00 H new ATOM 1684 N GLY A 104 11.757 -11.169 5.655 1.00 0.00 N ATOM 1685 CA GLY A 104 10.921 -12.093 4.911 1.00 0.00 C ATOM 1686 C GLY A 104 9.467 -12.029 5.335 1.00 0.00 C ATOM 1687 O GLY A 104 8.564 -12.176 4.511 1.00 0.00 O ATOM 0 H GLY A 104 12.592 -11.584 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.996 -11.870 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.293 -13.108 5.051 1.00 0.00 H new ATOM 1691 N LYS A 105 9.237 -11.811 6.626 1.00 0.00 N ATOM 1692 CA LYS A 105 7.883 -11.728 7.160 1.00 0.00 C ATOM 1693 C LYS A 105 7.104 -10.598 6.494 1.00 0.00 C ATOM 1694 O LYS A 105 6.120 -10.838 5.796 1.00 0.00 O ATOM 1695 CB LYS A 105 7.922 -11.513 8.674 1.00 0.00 C ATOM 1696 CG LYS A 105 6.546 -11.392 9.307 1.00 0.00 C ATOM 1697 CD LYS A 105 5.793 -12.710 9.258 1.00 0.00 C ATOM 1698 CE LYS A 105 4.749 -12.797 10.362 1.00 0.00 C ATOM 1699 NZ LYS A 105 5.373 -12.955 11.704 1.00 0.00 N ATOM 0 H LYS A 105 9.972 -11.689 7.322 1.00 0.00 H new ATOM 0 HA LYS A 105 7.376 -12.669 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.454 -12.344 9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.493 -10.610 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.648 -11.068 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.972 -10.624 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.308 -12.817 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.497 -13.536 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.133 -11.898 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.085 -13.640 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.664 -13.311 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.162 -13.630 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.730 -12.035 12.032 1.00 0.00 H new ATOM 1713 N GLU A 106 7.553 -9.366 6.714 1.00 0.00 N ATOM 1714 CA GLU A 106 6.897 -8.200 6.135 1.00 0.00 C ATOM 1715 C GLU A 106 6.594 -8.425 4.656 1.00 0.00 C ATOM 1716 O GLU A 106 5.731 -7.763 4.081 1.00 0.00 O ATOM 1717 CB GLU A 106 7.774 -6.958 6.304 1.00 0.00 C ATOM 1718 CG GLU A 106 7.606 -6.272 7.649 1.00 0.00 C ATOM 1719 CD GLU A 106 7.861 -4.779 7.579 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.035 -4.371 7.694 1.00 0.00 O ATOM 1721 OE2 GLU A 106 6.885 -4.018 7.408 1.00 0.00 O ATOM 0 H GLU A 106 8.368 -9.150 7.289 1.00 0.00 H new ATOM 0 HA GLU A 106 5.955 -8.045 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.819 -7.242 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.539 -6.247 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.595 -6.447 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.291 -6.720 8.369 1.00 0.00 H new ATOM 1728 N MET A 107 7.312 -9.363 4.047 1.00 0.00 N ATOM 1729 CA MET A 107 7.120 -9.676 2.636 1.00 0.00 C ATOM 1730 C MET A 107 5.961 -10.650 2.448 1.00 0.00 C ATOM 1731 O MET A 107 5.111 -10.456 1.579 1.00 0.00 O ATOM 1732 CB MET A 107 8.400 -10.269 2.044 1.00 0.00 C ATOM 1733 CG MET A 107 8.147 -11.271 0.930 1.00 0.00 C ATOM 1734 SD MET A 107 7.993 -12.962 1.538 1.00 0.00 S ATOM 1735 CE MET A 107 8.264 -13.890 0.030 1.00 0.00 C ATOM 0 H MET A 107 8.032 -9.919 4.508 1.00 0.00 H new ATOM 0 HA MET A 107 6.882 -8.750 2.114 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.021 -9.460 1.660 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.966 -10.756 2.838 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.236 -10.996 0.399 1.00 0.00 H new ATOM 0 HG3 MET A 107 8.963 -11.221 0.209 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.386 -14.499 -0.185 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.438 -13.200 -0.796 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.133 -14.537 0.152 1.00 0.00 H new ATOM 1745 N GLU A 108 5.934 -11.696 3.267 1.00 0.00 N ATOM 1746 CA GLU A 108 4.879 -12.700 3.189 1.00 0.00 C ATOM 1747 C GLU A 108 3.513 -12.075 3.456 1.00 0.00 C ATOM 1748 O GLU A 108 2.505 -12.487 2.880 1.00 0.00 O ATOM 1749 CB GLU A 108 5.141 -13.827 4.190 1.00 0.00 C ATOM 1750 CG GLU A 108 4.523 -13.584 5.556 1.00 0.00 C ATOM 1751 CD GLU A 108 4.674 -14.773 6.485 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.716 -14.863 7.168 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.751 -15.613 6.529 1.00 0.00 O ATOM 0 H GLU A 108 6.630 -11.871 3.992 1.00 0.00 H new ATOM 0 HA GLU A 108 4.880 -13.113 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.750 -14.760 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.217 -13.956 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.990 -12.710 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.464 -13.354 5.436 1.00 0.00 H new ATOM 1760 N LEU A 109 3.486 -11.079 4.335 1.00 0.00 N ATOM 1761 CA LEU A 109 2.244 -10.397 4.680 1.00 0.00 C ATOM 1762 C LEU A 109 1.721 -9.587 3.498 1.00 0.00 C ATOM 1763 O LEU A 109 0.517 -9.552 3.241 1.00 0.00 O ATOM 1764 CB LEU A 109 2.461 -9.480 5.885 1.00 0.00 C ATOM 1765 CG LEU A 109 3.071 -10.134 7.125 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.248 -9.110 8.236 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.206 -11.293 7.597 1.00 0.00 C ATOM 0 H LEU A 109 4.310 -10.726 4.822 1.00 0.00 H new ATOM 0 HA LEU A 109 1.502 -11.153 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.106 -8.657 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.501 -9.046 6.163 1.00 0.00 H new ATOM 0 HG LEU A 109 4.053 -10.525 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.683 -9.594 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.909 -8.314 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.278 -8.688 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.656 -11.746 8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.210 -10.926 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.132 -12.038 6.805 1.00 0.00 H new ATOM 1779 N TRP A 110 2.632 -8.939 2.782 1.00 0.00 N ATOM 1780 CA TRP A 110 2.262 -8.132 1.625 1.00 0.00 C ATOM 1781 C TRP A 110 1.949 -9.015 0.422 1.00 0.00 C ATOM 1782 O TRP A 110 1.034 -8.726 -0.349 1.00 0.00 O ATOM 1783 CB TRP A 110 3.388 -7.156 1.278 1.00 0.00 C ATOM 1784 CG TRP A 110 3.267 -5.836 1.977 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.204 -5.240 2.771 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.142 -4.950 1.946 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.731 -4.037 3.236 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.468 -3.835 2.743 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.893 -4.988 1.321 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.589 -2.772 2.931 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.021 -3.933 1.509 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.373 -2.836 2.307 1.00 0.00 C ATOM 0 H TRP A 110 3.632 -8.956 2.982 1.00 0.00 H new ATOM 0 HA TRP A 110 1.365 -7.567 1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.345 -7.610 1.537 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.395 -6.989 0.201 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.175 -5.654 3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.237 -3.398 3.849 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.614 -5.828 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.857 -1.927 3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.948 -3.954 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.329 -2.025 2.432 1.00 0.00 H new ATOM 1803 N MET A 111 2.713 -10.091 0.269 1.00 0.00 N ATOM 1804 CA MET A 111 2.515 -11.017 -0.841 1.00 0.00 C ATOM 1805 C MET A 111 1.166 -11.721 -0.727 1.00 0.00 C ATOM 1806 O MET A 111 0.306 -11.581 -1.597 1.00 0.00 O ATOM 1807 CB MET A 111 3.642 -12.051 -0.878 1.00 0.00 C ATOM 1808 CG MET A 111 4.888 -11.566 -1.601 1.00 0.00 C ATOM 1809 SD MET A 111 5.981 -12.917 -2.083 1.00 0.00 S ATOM 1810 CE MET A 111 5.982 -12.733 -3.864 1.00 0.00 C ATOM 0 H MET A 111 3.475 -10.344 0.899 1.00 0.00 H new ATOM 0 HA MET A 111 2.528 -10.443 -1.768 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.908 -12.324 0.143 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.278 -12.956 -1.365 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.594 -11.007 -2.489 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.432 -10.876 -0.956 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.936 -13.077 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.174 -13.326 -4.292 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.837 -11.684 -4.121 1.00 0.00 H new ATOM 1820 N LYS A 112 0.988 -12.477 0.351 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.256 -13.203 0.580 1.00 0.00 C ATOM 1822 C LYS A 112 -1.459 -12.367 0.156 1.00 0.00 C ATOM 1823 O LYS A 112 -2.420 -12.887 -0.410 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.382 -13.586 2.056 1.00 0.00 C ATOM 1825 CG LYS A 112 0.575 -14.686 2.483 1.00 0.00 C ATOM 1826 CD LYS A 112 0.051 -16.060 2.103 1.00 0.00 C ATOM 1827 CE LYS A 112 0.565 -17.134 3.049 1.00 0.00 C ATOM 1828 NZ LYS A 112 1.914 -17.625 2.651 1.00 0.00 N ATOM 0 H LYS A 112 1.690 -12.603 1.080 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.235 -14.110 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.203 -12.702 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.404 -13.909 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.547 -14.525 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.727 -14.639 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.039 -16.052 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.354 -16.297 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.608 -16.735 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.135 -17.969 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.229 -18.356 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.868 -18.029 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.588 -16.833 2.660 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.399 -11.068 0.433 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.482 -10.160 0.077 1.00 0.00 C ATOM 1844 C ALA A 113 -2.453 -9.827 -1.411 1.00 0.00 C ATOM 1845 O ALA A 113 -3.383 -10.155 -2.147 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.397 -8.887 0.907 1.00 0.00 C ATOM 0 H ALA A 113 -0.612 -10.621 0.903 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.427 -10.659 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.212 -8.218 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.475 -9.137 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.443 -8.394 0.720 1.00 0.00 H new ATOM 1852 N MET A 114 -1.380 -9.175 -1.845 1.00 0.00 N ATOM 1853 CA MET A 114 -1.231 -8.798 -3.246 1.00 0.00 C ATOM 1854 C MET A 114 -1.673 -9.934 -4.164 1.00 0.00 C ATOM 1855 O MET A 114 -2.519 -9.744 -5.040 1.00 0.00 O ATOM 1856 CB MET A 114 0.222 -8.422 -3.544 1.00 0.00 C ATOM 1857 CG MET A 114 0.609 -7.043 -3.036 1.00 0.00 C ATOM 1858 SD MET A 114 2.170 -6.461 -3.726 1.00 0.00 S ATOM 1859 CE MET A 114 2.773 -5.440 -2.384 1.00 0.00 C ATOM 0 H MET A 114 -0.601 -8.897 -1.248 1.00 0.00 H new ATOM 0 HA MET A 114 -1.868 -7.933 -3.434 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.881 -9.164 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.386 -8.463 -4.621 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.180 -6.334 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.684 -7.068 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.165 -4.505 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.956 -5.225 -1.695 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.566 -5.967 -1.853 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.096 -11.112 -3.960 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.430 -12.279 -4.769 1.00 0.00 C ATOM 1871 C LEU A 115 -2.931 -12.547 -4.745 1.00 0.00 C ATOM 1872 O LEU A 115 -3.525 -12.903 -5.763 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.673 -13.508 -4.265 1.00 0.00 C ATOM 1874 CG LEU A 115 0.697 -13.759 -4.897 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.574 -13.879 -6.408 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.667 -12.646 -4.526 1.00 0.00 C ATOM 0 H LEU A 115 -0.394 -11.285 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.133 -12.074 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.541 -13.412 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.295 -14.387 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 115 1.088 -14.700 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.559 -14.057 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.086 -14.710 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.162 -12.955 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.637 -12.841 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.281 -11.692 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.779 -12.607 -3.442 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.539 -12.371 -3.577 1.00 0.00 N ATOM 1889 CA ASP A 116 -4.972 -12.591 -3.420 1.00 0.00 C ATOM 1890 C ASP A 116 -5.770 -11.586 -4.246 1.00 0.00 C ATOM 1891 O ASP A 116 -6.901 -11.856 -4.647 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.368 -12.486 -1.946 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.630 -13.262 -1.629 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -6.661 -14.481 -1.901 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.588 -12.652 -1.109 1.00 0.00 O ATOM 0 H ASP A 116 -3.062 -12.077 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.202 -13.594 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.552 -12.857 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.515 -11.438 -1.686 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.172 -10.426 -4.495 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.825 -9.381 -5.273 1.00 0.00 C ATOM 1902 C ALA A 117 -5.289 -9.343 -6.700 1.00 0.00 C ATOM 1903 O ALA A 117 -5.753 -8.558 -7.527 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.641 -8.028 -4.602 1.00 0.00 C ATOM 0 H ALA A 117 -4.236 -10.186 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.890 -9.609 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.134 -7.258 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.079 -8.054 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.578 -7.801 -4.525 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.309 -10.195 -6.982 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.711 -10.259 -8.310 1.00 0.00 C ATOM 1912 C ALA A 118 -4.229 -11.464 -9.088 1.00 0.00 C ATOM 1913 O ALA A 118 -4.431 -11.393 -10.301 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.194 -10.310 -8.203 1.00 0.00 C ATOM 0 H ALA A 118 -3.912 -10.850 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.996 -9.359 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.760 -10.358 -9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.835 -9.416 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.899 -11.193 -7.637 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.443 -12.570 -8.383 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.937 -13.792 -9.008 1.00 0.00 C ATOM 1922 C LEU A 119 -6.358 -13.600 -9.530 1.00 0.00 C ATOM 1923 O LEU A 119 -6.882 -14.443 -10.258 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.900 -14.950 -8.010 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.162 -15.152 -7.170 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.579 -13.847 -6.509 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.292 -15.702 -8.028 1.00 0.00 C ATOM 0 H LEU A 119 -4.282 -12.645 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.288 -14.027 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.702 -15.871 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.059 -14.795 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.941 -15.877 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.479 -14.011 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.776 -13.495 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.781 -13.099 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.182 -15.839 -7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.512 -15.001 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.993 -16.660 -8.453 1.00 0.00 H new