USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 781 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 TYR OH : rot -55:sc= -1.24 USER MOD Set 1.2: A 110 CYS SG : rot 115:sc= -3.37! USER MOD Set 2.1: A 65 SER OG : rot 57:sc= 1 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -5.33! C(o=-4.3!,f=-5.4!) USER MOD Set 3.1: A 26 HIS : no HD1:sc= -6.75! C(o=-7.3!,f=-9.8!) USER MOD Set 3.2: A 96 THR OG1 : rot -51:sc= -0.548 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 5:sc= -0.0901 USER MOD Single : A 33 MET CE :methyl -169:sc= -3.47 (180deg=-4.06) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.108 K(o=0.11,f=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 72:sc= 0.484 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0.177 (180deg=0.175) USER MOD Single : A 68 TYR OH : rot 97:sc= 1.12 USER MOD Single : A 69 ASN : amide:sc= -0.0935 K(o=-0.094,f=-1.4!) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0.332 (180deg=0.184) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0806) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.00694 (180deg=0.00615) USER MOD Single : A 103 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 104 GLN : amide:sc= 0.0378 X(o=0.038,f=0) USER MOD Single : A 105 ASN : amide:sc= -12.1! C(o=-12!,f=-12!) USER MOD Single : A 106 SER OG : rot 6:sc= 0.429 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= -0.0323 (180deg=-0.679) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 85:sc= 0.15! USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.88! C(o=-2.9!,f=-4.8!) USER MOD Single : A 123 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.466) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.373 -10.653 -9.202 1.00 0.00 N ATOM 297 CA LEU A 23 3.327 -9.370 -8.508 1.00 0.00 C ATOM 298 C LEU A 23 4.322 -8.386 -9.116 1.00 0.00 C ATOM 299 O LEU A 23 4.209 -7.176 -8.924 1.00 0.00 O ATOM 300 CB LEU A 23 3.626 -9.562 -7.020 1.00 0.00 C ATOM 301 CG LEU A 23 2.725 -10.548 -6.276 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.233 -10.772 -4.860 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.288 -10.048 -6.257 1.00 0.00 C ATOM 0 HA LEU A 23 2.324 -8.959 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.659 -9.896 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.554 -8.592 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 23 2.749 -11.502 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.579 -11.477 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.245 -11.176 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.240 -9.824 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.661 -10.762 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.246 -9.082 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.926 -9.941 -7.280 1.00 0.00 H new ATOM 315 N SER A 24 5.295 -8.915 -9.851 1.00 0.00 N ATOM 316 CA SER A 24 6.310 -8.083 -10.486 1.00 0.00 C ATOM 317 C SER A 24 5.674 -7.103 -11.468 1.00 0.00 C ATOM 318 O SER A 24 6.133 -5.970 -11.617 1.00 0.00 O ATOM 319 CB SER A 24 7.335 -8.957 -11.212 1.00 0.00 C ATOM 320 OG SER A 24 6.793 -9.491 -12.408 1.00 0.00 O ATOM 0 H SER A 24 5.402 -9.915 -10.021 1.00 0.00 H new ATOM 0 HA SER A 24 6.816 -7.513 -9.707 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.222 -8.367 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.653 -9.769 -10.559 1.00 0.00 H new ATOM 0 HG SER A 24 7.468 -10.044 -12.854 1.00 0.00 H new ATOM 326 N VAL A 25 4.615 -7.548 -12.136 1.00 0.00 N ATOM 327 CA VAL A 25 3.914 -6.712 -13.103 1.00 0.00 C ATOM 328 C VAL A 25 3.413 -5.426 -12.456 1.00 0.00 C ATOM 329 O VAL A 25 3.172 -4.428 -13.137 1.00 0.00 O ATOM 330 CB VAL A 25 2.720 -7.457 -13.729 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.168 -8.790 -14.309 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.618 -7.657 -12.700 1.00 0.00 C ATOM 0 H VAL A 25 4.223 -8.483 -12.025 1.00 0.00 H new ATOM 0 HA VAL A 25 4.631 -6.466 -13.887 1.00 0.00 H new ATOM 0 HB VAL A 25 2.320 -6.850 -14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.311 -9.303 -14.747 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.920 -8.617 -15.079 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.594 -9.407 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.782 -8.185 -13.160 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.002 -8.243 -11.865 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.279 -6.687 -12.337 1.00 0.00 H new ATOM 342 N HIS A 26 3.258 -5.455 -11.136 1.00 0.00 N ATOM 343 CA HIS A 26 2.787 -4.290 -10.395 1.00 0.00 C ATOM 344 C HIS A 26 3.883 -3.235 -10.285 1.00 0.00 C ATOM 345 O HIS A 26 5.072 -3.550 -10.364 1.00 0.00 O ATOM 346 CB HIS A 26 2.318 -4.703 -8.999 1.00 0.00 C ATOM 347 CG HIS A 26 1.313 -5.813 -9.009 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.258 -5.865 -9.895 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.207 -6.918 -8.234 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.455 -6.954 -9.664 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.101 -7.610 -8.662 1.00 0.00 N ATOM 0 H HIS A 26 3.452 -6.272 -10.558 1.00 0.00 H new ATOM 0 HA HIS A 26 1.947 -3.859 -10.940 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.182 -5.012 -8.411 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.885 -3.837 -8.499 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.869 -7.202 -7.429 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.341 -7.256 -10.203 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.237 -8.489 -8.269 1.00 0.00 H new ATOM 359 N LEU A 27 3.477 -1.984 -10.105 1.00 0.00 N ATOM 360 CA LEU A 27 4.426 -0.881 -9.985 1.00 0.00 C ATOM 361 C LEU A 27 4.939 -0.758 -8.554 1.00 0.00 C ATOM 362 O LEU A 27 6.082 -0.360 -8.327 1.00 0.00 O ATOM 363 CB LEU A 27 3.770 0.431 -10.419 1.00 0.00 C ATOM 364 CG LEU A 27 3.569 0.616 -11.923 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.819 1.908 -12.207 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.909 0.606 -12.645 1.00 0.00 C ATOM 0 H LEU A 27 2.498 -1.707 -10.039 1.00 0.00 H new ATOM 0 HA LEU A 27 5.273 -1.090 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.798 0.507 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.378 1.257 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 27 2.971 -0.216 -12.295 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.685 2.022 -13.283 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.844 1.877 -11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.390 2.752 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.747 0.739 -13.715 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.531 1.418 -12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.410 -0.346 -12.469 1.00 0.00 H new ATOM 378 N TRP A 28 4.089 -1.104 -7.594 1.00 0.00 N ATOM 379 CA TRP A 28 4.458 -1.034 -6.185 1.00 0.00 C ATOM 380 C TRP A 28 5.194 -2.297 -5.752 1.00 0.00 C ATOM 381 O TRP A 28 5.309 -2.582 -4.559 1.00 0.00 O ATOM 382 CB TRP A 28 3.213 -0.832 -5.320 1.00 0.00 C ATOM 383 CG TRP A 28 2.020 -1.597 -5.808 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.951 -1.097 -6.496 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.775 -2.998 -5.645 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.056 -2.103 -6.769 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.538 -3.279 -6.259 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.480 -4.043 -5.042 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.006 -4.560 -6.284 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.938 -5.314 -5.067 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.705 -5.564 -5.686 1.00 0.00 C ATOM 0 H TRP A 28 3.140 -1.436 -7.766 1.00 0.00 H new ATOM 0 HA TRP A 28 5.126 -0.183 -6.052 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.437 -1.136 -4.297 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.968 0.230 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.828 -0.063 -6.783 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.825 -1.992 -7.271 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.432 -3.861 -4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.956 -4.754 -6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.473 -6.129 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.309 -6.569 -5.691 1.00 0.00 H new ATOM 402 N TYR A 29 5.691 -3.051 -6.726 1.00 0.00 N ATOM 403 CA TYR A 29 6.415 -4.285 -6.445 1.00 0.00 C ATOM 404 C TYR A 29 7.887 -4.151 -6.820 1.00 0.00 C ATOM 405 O TYR A 29 8.269 -4.374 -7.968 1.00 0.00 O ATOM 406 CB TYR A 29 5.787 -5.454 -7.206 1.00 0.00 C ATOM 407 CG TYR A 29 6.114 -6.807 -6.615 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.386 -7.313 -5.546 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.151 -7.577 -7.126 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.681 -8.549 -5.002 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.452 -8.814 -6.590 1.00 0.00 C ATOM 412 CZ TYR A 29 6.715 -9.296 -5.528 1.00 0.00 C ATOM 413 OH TYR A 29 7.013 -10.527 -4.990 1.00 0.00 O ATOM 0 H TYR A 29 5.606 -2.829 -7.718 1.00 0.00 H new ATOM 0 HA TYR A 29 6.348 -4.479 -5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.705 -5.326 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.127 -5.427 -8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.576 -6.731 -5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.732 -7.202 -7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.106 -8.928 -4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.260 -9.401 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 29 6.352 -10.752 -4.302 1.00 0.00 H new ATOM 423 N ALA A 30 8.710 -3.786 -5.841 1.00 0.00 N ATOM 424 CA ALA A 30 10.141 -3.625 -6.067 1.00 0.00 C ATOM 425 C ALA A 30 10.899 -4.900 -5.714 1.00 0.00 C ATOM 426 O ALA A 30 12.037 -4.849 -5.250 1.00 0.00 O ATOM 427 CB ALA A 30 10.673 -2.451 -5.258 1.00 0.00 C ATOM 0 H ALA A 30 8.410 -3.597 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 30 10.297 -3.423 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.743 -2.342 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.160 -1.538 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.498 -2.631 -4.197 1.00 0.00 H new ATOM 433 N GLY A 31 10.259 -6.045 -5.938 1.00 0.00 N ATOM 434 CA GLY A 31 10.889 -7.317 -5.637 1.00 0.00 C ATOM 435 C GLY A 31 11.760 -7.255 -4.398 1.00 0.00 C ATOM 436 O GLY A 31 11.423 -6.603 -3.409 1.00 0.00 O ATOM 0 H GLY A 31 9.317 -6.113 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.119 -8.076 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.495 -7.629 -6.488 1.00 0.00 H new ATOM 440 N PRO A 32 12.908 -7.947 -4.441 1.00 0.00 N ATOM 441 CA PRO A 32 13.852 -7.984 -3.321 1.00 0.00 C ATOM 442 C PRO A 32 14.553 -6.646 -3.108 1.00 0.00 C ATOM 443 O PRO A 32 15.570 -6.361 -3.739 1.00 0.00 O ATOM 444 CB PRO A 32 14.861 -9.055 -3.743 1.00 0.00 C ATOM 445 CG PRO A 32 14.797 -9.070 -5.231 1.00 0.00 C ATOM 446 CD PRO A 32 13.372 -8.746 -5.587 1.00 0.00 C ATOM 0 HA PRO A 32 13.354 -8.197 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.864 -8.814 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.603 -10.028 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.482 -8.338 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.086 -10.045 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.308 -8.186 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.775 -9.649 -5.716 1.00 0.00 H new ATOM 454 N MET A 33 14.002 -5.831 -2.215 1.00 0.00 N ATOM 455 CA MET A 33 14.576 -4.523 -1.919 1.00 0.00 C ATOM 456 C MET A 33 14.739 -4.329 -0.414 1.00 0.00 C ATOM 457 O MET A 33 13.839 -4.649 0.362 1.00 0.00 O ATOM 458 CB MET A 33 13.696 -3.413 -2.496 1.00 0.00 C ATOM 459 CG MET A 33 14.389 -2.062 -2.567 1.00 0.00 C ATOM 460 SD MET A 33 13.751 -1.023 -3.894 1.00 0.00 S ATOM 461 CE MET A 33 12.211 -0.461 -3.174 1.00 0.00 C ATOM 0 H MET A 33 13.160 -6.052 -1.684 1.00 0.00 H new ATOM 0 HA MET A 33 15.561 -4.473 -2.383 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.374 -3.700 -3.497 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.797 -3.319 -1.886 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.267 -1.545 -1.615 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.459 -2.214 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.609 0.029 -3.939 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.664 -1.314 -2.774 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.421 0.245 -2.370 1.00 0.00 H new ATOM 471 N GLU A 34 15.891 -3.803 -0.011 1.00 0.00 N ATOM 472 CA GLU A 34 16.170 -3.569 1.401 1.00 0.00 C ATOM 473 C GLU A 34 15.567 -2.245 1.862 1.00 0.00 C ATOM 474 O GLU A 34 15.255 -1.376 1.047 1.00 0.00 O ATOM 475 CB GLU A 34 17.680 -3.569 1.652 1.00 0.00 C ATOM 476 CG GLU A 34 18.267 -4.959 1.827 1.00 0.00 C ATOM 477 CD GLU A 34 19.776 -4.940 1.977 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.474 -4.847 0.946 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.259 -5.018 3.126 1.00 0.00 O ATOM 0 H GLU A 34 16.645 -3.531 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 34 15.713 -4.376 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.179 -3.075 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.892 -2.979 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.824 -5.428 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.999 -5.574 0.968 1.00 0.00 H new ATOM 486 N ARG A 35 15.406 -2.100 3.173 1.00 0.00 N ATOM 487 CA ARG A 35 14.838 -0.884 3.743 1.00 0.00 C ATOM 488 C ARG A 35 15.494 0.356 3.141 1.00 0.00 C ATOM 489 O ARG A 35 14.815 1.232 2.606 1.00 0.00 O ATOM 490 CB ARG A 35 15.011 -0.878 5.263 1.00 0.00 C ATOM 491 CG ARG A 35 14.416 0.346 5.939 1.00 0.00 C ATOM 492 CD ARG A 35 14.482 0.233 7.454 1.00 0.00 C ATOM 493 NE ARG A 35 15.745 0.738 7.987 1.00 0.00 N ATOM 494 CZ ARG A 35 16.719 -0.046 8.436 1.00 0.00 C ATOM 495 NH1 ARG A 35 16.576 -1.364 8.416 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.839 0.489 8.905 1.00 0.00 N ATOM 0 H ARG A 35 15.661 -2.809 3.860 1.00 0.00 H new ATOM 0 HA ARG A 35 13.774 -0.864 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.546 -1.773 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.074 -0.933 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.952 1.238 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.379 0.467 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.655 0.789 7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.357 -0.810 7.745 1.00 0.00 H new ATOM 0 HE ARG A 35 15.887 1.748 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.717 -1.778 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 17.325 -1.964 8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.952 1.503 8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.587 -0.113 9.250 1.00 0.00 H new ATOM 510 N ALA A 36 16.818 0.422 3.234 1.00 0.00 N ATOM 511 CA ALA A 36 17.566 1.553 2.698 1.00 0.00 C ATOM 512 C ALA A 36 16.980 2.018 1.369 1.00 0.00 C ATOM 513 O ALA A 36 16.506 3.147 1.249 1.00 0.00 O ATOM 514 CB ALA A 36 19.033 1.185 2.531 1.00 0.00 C ATOM 0 H ALA A 36 17.395 -0.294 3.675 1.00 0.00 H new ATOM 0 HA ALA A 36 17.489 2.377 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.579 2.039 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.451 0.909 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.121 0.343 1.844 1.00 0.00 H new ATOM 520 N GLY A 37 17.018 1.139 0.372 1.00 0.00 N ATOM 521 CA GLY A 37 16.489 1.479 -0.936 1.00 0.00 C ATOM 522 C GLY A 37 15.161 2.206 -0.854 1.00 0.00 C ATOM 523 O GLY A 37 15.003 3.289 -1.416 1.00 0.00 O ATOM 0 H GLY A 37 17.405 0.198 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.209 2.103 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.366 0.568 -1.522 1.00 0.00 H new ATOM 527 N ALA A 38 14.204 1.607 -0.152 1.00 0.00 N ATOM 528 CA ALA A 38 12.883 2.205 0.002 1.00 0.00 C ATOM 529 C ALA A 38 12.978 3.596 0.619 1.00 0.00 C ATOM 530 O ALA A 38 12.245 4.506 0.235 1.00 0.00 O ATOM 531 CB ALA A 38 11.994 1.308 0.851 1.00 0.00 C ATOM 0 H ALA A 38 14.319 0.709 0.318 1.00 0.00 H new ATOM 0 HA ALA A 38 12.439 2.306 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.011 1.766 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.891 0.336 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.443 1.178 1.836 1.00 0.00 H new ATOM 537 N GLU A 39 13.887 3.752 1.577 1.00 0.00 N ATOM 538 CA GLU A 39 14.075 5.033 2.248 1.00 0.00 C ATOM 539 C GLU A 39 14.770 6.032 1.327 1.00 0.00 C ATOM 540 O GLU A 39 14.584 7.243 1.454 1.00 0.00 O ATOM 541 CB GLU A 39 14.894 4.848 3.528 1.00 0.00 C ATOM 542 CG GLU A 39 14.187 4.019 4.587 1.00 0.00 C ATOM 543 CD GLU A 39 14.680 4.322 5.989 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.721 3.760 6.387 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.023 5.122 6.688 1.00 0.00 O ATOM 0 H GLU A 39 14.504 3.009 1.905 1.00 0.00 H new ATOM 0 HA GLU A 39 13.092 5.426 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.842 4.371 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.130 5.828 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.115 4.207 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.336 2.960 4.374 1.00 0.00 H new ATOM 552 N SER A 40 15.571 5.516 0.401 1.00 0.00 N ATOM 553 CA SER A 40 16.297 6.362 -0.539 1.00 0.00 C ATOM 554 C SER A 40 15.508 6.539 -1.833 1.00 0.00 C ATOM 555 O SER A 40 15.779 7.448 -2.618 1.00 0.00 O ATOM 556 CB SER A 40 17.670 5.760 -0.844 1.00 0.00 C ATOM 557 OG SER A 40 18.314 6.464 -1.892 1.00 0.00 O ATOM 0 H SER A 40 15.734 4.516 0.281 1.00 0.00 H new ATOM 0 HA SER A 40 16.431 7.341 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.290 5.788 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.558 4.712 -1.121 1.00 0.00 H new ATOM 0 HG SER A 40 19.190 6.061 -2.067 1.00 0.00 H new ATOM 563 N ILE A 41 14.531 5.664 -2.047 1.00 0.00 N ATOM 564 CA ILE A 41 13.702 5.724 -3.244 1.00 0.00 C ATOM 565 C ILE A 41 12.545 6.701 -3.063 1.00 0.00 C ATOM 566 O ILE A 41 12.395 7.652 -3.831 1.00 0.00 O ATOM 567 CB ILE A 41 13.137 4.338 -3.607 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.246 3.437 -4.153 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.010 4.474 -4.620 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.952 1.960 -4.009 1.00 0.00 C ATOM 0 H ILE A 41 14.294 4.906 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 41 14.343 6.070 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 41 12.734 3.879 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.403 3.667 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.177 3.666 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.621 3.486 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.211 5.083 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.389 4.951 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.781 1.382 -4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.824 1.716 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.038 1.716 -4.551 1.00 0.00 H new ATOM 582 N LEU A 42 11.730 6.461 -2.042 1.00 0.00 N ATOM 583 CA LEU A 42 10.586 7.321 -1.758 1.00 0.00 C ATOM 584 C LEU A 42 11.035 8.629 -1.115 1.00 0.00 C ATOM 585 O LEU A 42 10.256 9.575 -0.999 1.00 0.00 O ATOM 586 CB LEU A 42 9.597 6.601 -0.840 1.00 0.00 C ATOM 587 CG LEU A 42 9.182 5.194 -1.272 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.378 4.514 -0.175 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.384 5.247 -2.566 1.00 0.00 C ATOM 0 H LEU A 42 11.840 5.678 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 42 10.093 7.552 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.036 6.539 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.699 7.213 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 42 10.084 4.608 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.092 3.514 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.984 4.442 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.482 5.098 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.097 4.237 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.488 5.850 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.994 5.693 -3.352 1.00 0.00 H new ATOM 601 N ALA A 43 12.297 8.676 -0.699 1.00 0.00 N ATOM 602 CA ALA A 43 12.850 9.869 -0.072 1.00 0.00 C ATOM 603 C ALA A 43 12.508 11.120 -0.873 1.00 0.00 C ATOM 604 O ALA A 43 11.916 12.063 -0.348 1.00 0.00 O ATOM 605 CB ALA A 43 14.358 9.734 0.081 1.00 0.00 C ATOM 0 H ALA A 43 12.955 7.901 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 43 12.403 9.970 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.758 10.633 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.585 8.868 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.813 9.605 -0.901 1.00 0.00 H new ATOM 611 N ASN A 44 12.885 11.122 -2.148 1.00 0.00 N ATOM 612 CA ASN A 44 12.618 12.259 -3.022 1.00 0.00 C ATOM 613 C ASN A 44 11.182 12.225 -3.535 1.00 0.00 C ATOM 614 O ASN A 44 10.563 13.268 -3.746 1.00 0.00 O ATOM 615 CB ASN A 44 13.593 12.262 -4.201 1.00 0.00 C ATOM 616 CG ASN A 44 15.006 11.901 -3.784 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.307 10.739 -3.511 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.880 12.899 -3.731 1.00 0.00 N ATOM 0 H ASN A 44 13.376 10.350 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 44 12.756 13.172 -2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.248 11.555 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.595 13.248 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.845 12.718 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.586 13.847 -3.966 1.00 0.00 H new ATOM 625 N ARG A 45 10.658 11.020 -3.734 1.00 0.00 N ATOM 626 CA ARG A 45 9.295 10.850 -4.223 1.00 0.00 C ATOM 627 C ARG A 45 8.342 11.814 -3.522 1.00 0.00 C ATOM 628 O ARG A 45 8.679 12.397 -2.492 1.00 0.00 O ATOM 629 CB ARG A 45 8.829 9.409 -4.008 1.00 0.00 C ATOM 630 CG ARG A 45 9.566 8.396 -4.868 1.00 0.00 C ATOM 631 CD ARG A 45 9.177 8.522 -6.333 1.00 0.00 C ATOM 632 NE ARG A 45 10.141 7.867 -7.213 1.00 0.00 N ATOM 633 CZ ARG A 45 10.050 7.876 -8.539 1.00 0.00 C ATOM 634 NH1 ARG A 45 9.044 8.502 -9.133 1.00 0.00 N ATOM 635 NH2 ARG A 45 10.967 7.258 -9.272 1.00 0.00 N ATOM 0 H ARG A 45 11.157 10.147 -3.564 1.00 0.00 H new ATOM 0 HA ARG A 45 9.288 11.071 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.961 9.146 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.762 9.346 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.641 8.541 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.344 7.388 -4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.191 8.084 -6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.102 9.576 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 45 10.927 7.376 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.337 8.978 -8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.976 8.507 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.743 6.775 -8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.896 7.265 -10.290 1.00 0.00 H new ATOM 649 N SER A 46 7.151 11.977 -4.090 1.00 0.00 N ATOM 650 CA SER A 46 6.151 12.874 -3.522 1.00 0.00 C ATOM 651 C SER A 46 5.344 12.170 -2.436 1.00 0.00 C ATOM 652 O SER A 46 4.924 11.025 -2.603 1.00 0.00 O ATOM 653 CB SER A 46 5.214 13.385 -4.618 1.00 0.00 C ATOM 654 OG SER A 46 5.658 14.630 -5.129 1.00 0.00 O ATOM 0 H SER A 46 6.855 11.500 -4.942 1.00 0.00 H new ATOM 0 HA SER A 46 6.671 13.720 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.162 12.655 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.206 13.491 -4.218 1.00 0.00 H new ATOM 0 HG SER A 46 5.043 14.934 -5.829 1.00 0.00 H new ATOM 660 N ASP A 47 5.132 12.863 -1.322 1.00 0.00 N ATOM 661 CA ASP A 47 4.375 12.306 -0.207 1.00 0.00 C ATOM 662 C ASP A 47 3.189 11.489 -0.710 1.00 0.00 C ATOM 663 O ASP A 47 2.292 12.017 -1.366 1.00 0.00 O ATOM 664 CB ASP A 47 3.886 13.424 0.714 1.00 0.00 C ATOM 665 CG ASP A 47 4.919 13.810 1.755 1.00 0.00 C ATOM 666 OD1 ASP A 47 5.874 14.534 1.403 1.00 0.00 O ATOM 667 OD2 ASP A 47 4.772 13.388 2.921 1.00 0.00 O ATOM 0 H ASP A 47 5.474 13.811 -1.167 1.00 0.00 H new ATOM 0 HA ASP A 47 5.036 11.646 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.633 14.299 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.972 13.105 1.214 1.00 0.00 H new ATOM 672 N GLY A 48 3.192 10.196 -0.399 1.00 0.00 N ATOM 673 CA GLY A 48 2.112 9.327 -0.828 1.00 0.00 C ATOM 674 C GLY A 48 2.604 8.157 -1.656 1.00 0.00 C ATOM 675 O GLY A 48 1.918 7.141 -1.779 1.00 0.00 O ATOM 0 H GLY A 48 3.923 9.735 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.582 8.951 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.395 9.905 -1.411 1.00 0.00 H new ATOM 679 N THR A 49 3.795 8.298 -2.229 1.00 0.00 N ATOM 680 CA THR A 49 4.377 7.245 -3.052 1.00 0.00 C ATOM 681 C THR A 49 4.670 5.999 -2.225 1.00 0.00 C ATOM 682 O THR A 49 5.654 5.948 -1.487 1.00 0.00 O ATOM 683 CB THR A 49 5.679 7.716 -3.728 1.00 0.00 C ATOM 684 OG1 THR A 49 5.487 9.008 -4.313 1.00 0.00 O ATOM 685 CG2 THR A 49 6.120 6.729 -4.798 1.00 0.00 C ATOM 0 H THR A 49 4.376 9.132 -2.138 1.00 0.00 H new ATOM 0 HA THR A 49 3.643 7.003 -3.821 1.00 0.00 H new ATOM 0 HB THR A 49 6.457 7.775 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.431 9.683 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.041 7.082 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.293 5.753 -4.344 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.342 6.643 -5.557 1.00 0.00 H new ATOM 693 N PHE A 50 3.809 4.994 -2.353 1.00 0.00 N ATOM 694 CA PHE A 50 3.975 3.746 -1.616 1.00 0.00 C ATOM 695 C PHE A 50 4.759 2.729 -2.440 1.00 0.00 C ATOM 696 O PHE A 50 4.776 2.789 -3.670 1.00 0.00 O ATOM 697 CB PHE A 50 2.611 3.169 -1.236 1.00 0.00 C ATOM 698 CG PHE A 50 1.864 2.579 -2.398 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.220 3.398 -3.312 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.807 1.207 -2.578 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.531 2.858 -4.382 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.120 0.661 -3.646 1.00 0.00 C ATOM 703 CZ PHE A 50 0.483 1.488 -4.550 1.00 0.00 C ATOM 0 H PHE A 50 2.990 5.020 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 50 4.536 3.961 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.750 2.400 -0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.005 3.956 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.257 4.470 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.305 0.556 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.031 3.507 -5.086 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.081 -0.411 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.052 1.064 -5.387 1.00 0.00 H new ATOM 713 N LEU A 51 5.408 1.795 -1.754 1.00 0.00 N ATOM 714 CA LEU A 51 6.196 0.764 -2.420 1.00 0.00 C ATOM 715 C LEU A 51 6.293 -0.490 -1.557 1.00 0.00 C ATOM 716 O LEU A 51 6.591 -0.414 -0.365 1.00 0.00 O ATOM 717 CB LEU A 51 7.597 1.289 -2.737 1.00 0.00 C ATOM 718 CG LEU A 51 8.666 1.034 -1.673 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.285 -0.343 -1.858 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.737 2.114 -1.724 1.00 0.00 C ATOM 0 H LEU A 51 5.404 1.730 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 51 5.694 0.503 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.929 0.838 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.531 2.364 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 51 8.191 1.067 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.043 -0.507 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.510 -1.105 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.746 -0.405 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.489 1.917 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.209 2.113 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.281 3.087 -1.542 1.00 0.00 H new ATOM 732 N VAL A 52 6.042 -1.644 -2.168 1.00 0.00 N ATOM 733 CA VAL A 52 6.105 -2.915 -1.456 1.00 0.00 C ATOM 734 C VAL A 52 7.363 -3.691 -1.827 1.00 0.00 C ATOM 735 O VAL A 52 7.643 -3.912 -3.005 1.00 0.00 O ATOM 736 CB VAL A 52 4.870 -3.786 -1.754 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.877 -5.036 -0.887 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.592 -2.989 -1.545 1.00 0.00 C ATOM 0 H VAL A 52 5.793 -1.725 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 52 6.127 -2.681 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 52 4.910 -4.097 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.997 -5.639 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.777 -5.616 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.862 -4.750 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.730 -3.621 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.542 -2.646 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.587 -2.128 -2.213 1.00 0.00 H new ATOM 748 N ARG A 53 8.118 -4.103 -0.814 1.00 0.00 N ATOM 749 CA ARG A 53 9.348 -4.854 -1.034 1.00 0.00 C ATOM 750 C ARG A 53 9.287 -6.212 -0.339 1.00 0.00 C ATOM 751 O ARG A 53 8.424 -6.448 0.505 1.00 0.00 O ATOM 752 CB ARG A 53 10.553 -4.062 -0.524 1.00 0.00 C ATOM 753 CG ARG A 53 10.386 -3.546 0.896 1.00 0.00 C ATOM 754 CD ARG A 53 11.382 -2.439 1.207 1.00 0.00 C ATOM 755 NE ARG A 53 11.308 -2.012 2.601 1.00 0.00 N ATOM 756 CZ ARG A 53 11.870 -2.678 3.604 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.543 -3.795 3.368 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.759 -2.226 4.847 1.00 0.00 N ATOM 0 H ARG A 53 7.900 -3.929 0.167 1.00 0.00 H new ATOM 0 HA ARG A 53 9.457 -5.018 -2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.439 -4.695 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.730 -3.217 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.371 -3.172 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.520 -4.367 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.391 -2.787 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.191 -1.586 0.556 1.00 0.00 H new ATOM 0 HE ARG A 53 10.797 -1.156 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.631 -4.146 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.973 -4.304 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.242 -1.367 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.191 -2.738 5.616 1.00 0.00 H new ATOM 898 N PHE A 62 6.701 -9.832 3.192 1.00 0.00 N ATOM 899 CA PHE A 62 6.608 -8.579 2.452 1.00 0.00 C ATOM 900 C PHE A 62 6.405 -7.401 3.400 1.00 0.00 C ATOM 901 O PHE A 62 6.123 -7.584 4.584 1.00 0.00 O ATOM 902 CB PHE A 62 5.458 -8.641 1.445 1.00 0.00 C ATOM 903 CG PHE A 62 5.687 -9.625 0.333 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.572 -10.986 0.560 1.00 0.00 C ATOM 905 CD2 PHE A 62 6.018 -9.187 -0.940 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.783 -11.893 -0.462 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.231 -10.089 -1.965 1.00 0.00 C ATOM 908 CZ PHE A 62 6.112 -11.444 -1.726 1.00 0.00 C ATOM 0 HA PHE A 62 7.545 -8.433 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.540 -8.905 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.307 -7.650 1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.315 -11.343 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.110 -8.128 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.691 -12.952 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.490 -9.735 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.276 -12.151 -2.526 1.00 0.00 H new ATOM 918 N ALA A 63 6.552 -6.191 2.871 1.00 0.00 N ATOM 919 CA ALA A 63 6.384 -4.982 3.668 1.00 0.00 C ATOM 920 C ALA A 63 5.993 -3.797 2.792 1.00 0.00 C ATOM 921 O ALA A 63 6.456 -3.672 1.658 1.00 0.00 O ATOM 922 CB ALA A 63 7.661 -4.675 4.436 1.00 0.00 C ATOM 0 H ALA A 63 6.787 -6.022 1.893 1.00 0.00 H new ATOM 0 HA ALA A 63 5.577 -5.155 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.522 -3.770 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.896 -5.508 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.481 -4.527 3.734 1.00 0.00 H new ATOM 928 N ILE A 64 5.139 -2.930 3.325 1.00 0.00 N ATOM 929 CA ILE A 64 4.687 -1.754 2.592 1.00 0.00 C ATOM 930 C ILE A 64 5.321 -0.483 3.145 1.00 0.00 C ATOM 931 O ILE A 64 5.180 -0.170 4.327 1.00 0.00 O ATOM 932 CB ILE A 64 3.154 -1.614 2.643 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.485 -2.882 2.108 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.707 -0.397 1.847 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.004 -2.956 2.407 1.00 0.00 C ATOM 0 H ILE A 64 4.746 -3.020 4.262 1.00 0.00 H new ATOM 0 HA ILE A 64 4.997 -1.890 1.556 1.00 0.00 H new ATOM 0 HB ILE A 64 2.851 -1.477 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.633 -2.933 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.978 -3.753 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.621 -0.311 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.160 0.500 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.019 -0.507 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.596 -3.881 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.849 -2.936 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.498 -2.104 1.952 1.00 0.00 H new ATOM 947 N SER A 65 6.020 0.247 2.282 1.00 0.00 N ATOM 948 CA SER A 65 6.679 1.484 2.685 1.00 0.00 C ATOM 949 C SER A 65 6.298 2.631 1.753 1.00 0.00 C ATOM 950 O SER A 65 6.368 2.501 0.531 1.00 0.00 O ATOM 951 CB SER A 65 8.197 1.300 2.691 1.00 0.00 C ATOM 952 OG SER A 65 8.863 2.551 2.714 1.00 0.00 O ATOM 0 H SER A 65 6.145 0.003 1.299 1.00 0.00 H new ATOM 0 HA SER A 65 6.347 1.732 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.492 0.712 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.502 0.739 1.808 1.00 0.00 H new ATOM 0 HG SER A 65 8.566 3.066 3.493 1.00 0.00 H new ATOM 958 N ILE A 66 5.894 3.753 2.340 1.00 0.00 N ATOM 959 CA ILE A 66 5.503 4.922 1.564 1.00 0.00 C ATOM 960 C ILE A 66 6.041 6.204 2.191 1.00 0.00 C ATOM 961 O ILE A 66 6.474 6.210 3.344 1.00 0.00 O ATOM 962 CB ILE A 66 3.971 5.029 1.440 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.413 5.951 2.526 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.335 3.650 1.529 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.688 5.464 3.931 1.00 0.00 C ATOM 0 H ILE A 66 5.829 3.876 3.350 1.00 0.00 H new ATOM 0 HA ILE A 66 5.933 4.798 0.570 1.00 0.00 H new ATOM 0 HB ILE A 66 3.729 5.457 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.843 6.945 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.336 6.051 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.253 3.742 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.713 3.022 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.583 3.196 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.264 6.166 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.234 4.483 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.764 5.391 4.087 1.00 0.00 H new ATOM 977 N LYS A 67 6.011 7.289 1.425 1.00 0.00 N ATOM 978 CA LYS A 67 6.493 8.579 1.905 1.00 0.00 C ATOM 979 C LYS A 67 5.410 9.303 2.698 1.00 0.00 C ATOM 980 O LYS A 67 4.370 9.673 2.152 1.00 0.00 O ATOM 981 CB LYS A 67 6.946 9.447 0.729 1.00 0.00 C ATOM 982 CG LYS A 67 7.592 10.754 1.152 1.00 0.00 C ATOM 983 CD LYS A 67 8.956 10.524 1.781 1.00 0.00 C ATOM 984 CE LYS A 67 9.416 11.737 2.574 1.00 0.00 C ATOM 985 NZ LYS A 67 10.901 11.801 2.680 1.00 0.00 N ATOM 0 H LYS A 67 5.658 7.301 0.468 1.00 0.00 H new ATOM 0 HA LYS A 67 7.342 8.399 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.653 8.882 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.086 9.665 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.695 11.407 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.945 11.268 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.913 9.654 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.684 10.300 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.047 12.644 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.982 11.704 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.173 12.623 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.255 10.932 3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.313 11.893 1.730 1.00 0.00 H new ATOM 999 N TYR A 68 5.661 9.504 3.987 1.00 0.00 N ATOM 1000 CA TYR A 68 4.707 10.184 4.855 1.00 0.00 C ATOM 1001 C TYR A 68 5.428 11.024 5.905 1.00 0.00 C ATOM 1002 O TYR A 68 6.470 10.627 6.424 1.00 0.00 O ATOM 1003 CB TYR A 68 3.793 9.166 5.539 1.00 0.00 C ATOM 1004 CG TYR A 68 2.492 9.756 6.034 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.376 9.818 5.208 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.378 10.252 7.327 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.186 10.358 5.656 1.00 0.00 C ATOM 1008 CE2 TYR A 68 1.191 10.792 7.783 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.098 10.843 6.944 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.086 11.380 7.394 1.00 0.00 O ATOM 0 H TYR A 68 6.517 9.206 4.454 1.00 0.00 H new ATOM 0 HA TYR A 68 4.102 10.848 4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.573 8.360 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.324 8.722 6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.440 9.438 4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.232 10.215 7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.671 10.400 5.001 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.120 11.172 8.791 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.582 10.702 7.899 1.00 0.00 H new ATOM 1020 N ASN A 69 4.863 12.187 6.212 1.00 0.00 N ATOM 1021 CA ASN A 69 5.450 13.085 7.200 1.00 0.00 C ATOM 1022 C ASN A 69 6.924 13.339 6.896 1.00 0.00 C ATOM 1023 O ASN A 69 7.732 13.533 7.804 1.00 0.00 O ATOM 1024 CB ASN A 69 5.302 12.498 8.605 1.00 0.00 C ATOM 1025 CG ASN A 69 5.148 13.570 9.666 1.00 0.00 C ATOM 1026 OD1 ASN A 69 5.331 14.757 9.396 1.00 0.00 O ATOM 1027 ND2 ASN A 69 4.811 13.155 10.882 1.00 0.00 N ATOM 0 H ASN A 69 3.999 12.530 5.791 1.00 0.00 H new ATOM 0 HA ASN A 69 4.918 14.035 7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.435 11.838 8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.175 11.887 8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.694 13.831 11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.669 12.161 11.061 1.00 0.00 H new ATOM 1034 N VAL A 70 7.266 13.336 5.611 1.00 0.00 N ATOM 1035 CA VAL A 70 8.642 13.567 5.187 1.00 0.00 C ATOM 1036 C VAL A 70 9.562 12.453 5.671 1.00 0.00 C ATOM 1037 O VAL A 70 10.765 12.654 5.830 1.00 0.00 O ATOM 1038 CB VAL A 70 9.170 14.917 5.708 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.031 15.912 5.866 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.910 14.727 7.023 1.00 0.00 C ATOM 0 H VAL A 70 6.610 13.176 4.847 1.00 0.00 H new ATOM 0 HA VAL A 70 8.639 13.582 4.097 1.00 0.00 H new ATOM 0 HB VAL A 70 9.872 15.319 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.424 16.859 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.549 16.070 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.302 15.521 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.276 15.691 7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.232 14.302 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.752 14.052 6.872 1.00 0.00 H new ATOM 1050 N GLU A 71 8.987 11.277 5.903 1.00 0.00 N ATOM 1051 CA GLU A 71 9.756 10.129 6.370 1.00 0.00 C ATOM 1052 C GLU A 71 9.258 8.840 5.723 1.00 0.00 C ATOM 1053 O GLU A 71 8.054 8.588 5.663 1.00 0.00 O ATOM 1054 CB GLU A 71 9.670 10.015 7.893 1.00 0.00 C ATOM 1055 CG GLU A 71 8.324 10.435 8.460 1.00 0.00 C ATOM 1056 CD GLU A 71 8.309 10.453 9.976 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.972 9.588 10.586 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.634 11.332 10.552 1.00 0.00 O ATOM 0 H GLU A 71 7.992 11.094 5.775 1.00 0.00 H new ATOM 0 HA GLU A 71 10.796 10.280 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.871 8.984 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.451 10.630 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.070 11.427 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.554 9.752 8.101 1.00 0.00 H new ATOM 1065 N VAL A 72 10.192 8.028 5.238 1.00 0.00 N ATOM 1066 CA VAL A 72 9.849 6.765 4.596 1.00 0.00 C ATOM 1067 C VAL A 72 9.430 5.721 5.625 1.00 0.00 C ATOM 1068 O VAL A 72 10.273 5.073 6.247 1.00 0.00 O ATOM 1069 CB VAL A 72 11.029 6.215 3.774 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.654 4.895 3.118 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.471 7.231 2.731 1.00 0.00 C ATOM 0 H VAL A 72 11.192 8.223 5.278 1.00 0.00 H new ATOM 0 HA VAL A 72 9.013 6.967 3.927 1.00 0.00 H new ATOM 0 HB VAL A 72 11.865 6.033 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.500 4.522 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.390 4.169 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.802 5.047 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.306 6.826 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.641 7.446 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.783 8.150 3.227 1.00 0.00 H new ATOM 1081 N LYS A 73 8.123 5.563 5.801 1.00 0.00 N ATOM 1082 CA LYS A 73 7.590 4.596 6.754 1.00 0.00 C ATOM 1083 C LYS A 73 7.544 3.199 6.144 1.00 0.00 C ATOM 1084 O LYS A 73 7.520 3.078 4.920 1.00 0.00 O ATOM 1085 CB LYS A 73 6.189 5.014 7.206 1.00 0.00 C ATOM 1086 CG LYS A 73 6.084 6.481 7.585 1.00 0.00 C ATOM 1087 CD LYS A 73 6.684 6.746 8.956 1.00 0.00 C ATOM 1088 CE LYS A 73 5.974 7.891 9.663 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.526 8.129 11.025 1.00 0.00 N ATOM 0 H LYS A 73 7.412 6.092 5.296 1.00 0.00 H new ATOM 0 HA LYS A 73 8.252 4.573 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.480 4.803 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.895 4.405 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.596 7.088 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.037 6.785 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.617 5.844 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.743 6.982 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.069 8.800 9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.910 7.668 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.087 8.979 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.322 7.308 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.555 8.266 10.963 1.00 0.00 H new ATOM 1103 N HIS A 74 7.530 2.187 6.998 1.00 0.00 N ATOM 1104 CA HIS A 74 7.485 0.812 6.529 1.00 0.00 C ATOM 1105 C HIS A 74 6.446 0.030 7.334 1.00 0.00 C ATOM 1106 O HIS A 74 6.248 0.247 8.530 1.00 0.00 O ATOM 1107 CB HIS A 74 8.876 0.176 6.579 1.00 0.00 C ATOM 1108 CG HIS A 74 9.987 1.093 6.128 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.740 0.856 4.990 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.465 2.249 6.671 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.628 1.831 4.866 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.456 2.693 5.909 1.00 0.00 N ATOM 0 H HIS A 74 7.549 2.291 8.012 1.00 0.00 H new ATOM 0 HA HIS A 74 7.176 0.789 5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.079 -0.149 7.599 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.879 -0.717 5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.099 2.723 7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.360 1.927 4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.000 3.540 6.076 1.00 0.00 H new ATOM 1120 N ILE A 75 5.782 -0.893 6.646 1.00 0.00 N ATOM 1121 CA ILE A 75 4.759 -1.723 7.271 1.00 0.00 C ATOM 1122 C ILE A 75 5.021 -3.203 7.015 1.00 0.00 C ATOM 1123 O ILE A 75 5.252 -3.617 5.879 1.00 0.00 O ATOM 1124 CB ILE A 75 3.352 -1.365 6.758 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.051 0.113 7.018 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.306 -2.249 7.420 1.00 0.00 C ATOM 1127 CD1 ILE A 75 1.672 0.537 6.564 1.00 0.00 C ATOM 0 H ILE A 75 5.934 -1.085 5.656 1.00 0.00 H new ATOM 0 HA ILE A 75 4.805 -1.528 8.342 1.00 0.00 H new ATOM 0 HB ILE A 75 3.318 -1.539 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.151 0.314 8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.796 0.723 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.317 -1.984 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.513 -3.294 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.338 -2.104 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.528 1.596 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.574 0.368 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.919 -0.047 7.093 1.00 0.00 H new ATOM 1139 N LYS A 76 4.981 -3.998 8.079 1.00 0.00 N ATOM 1140 CA LYS A 76 5.210 -5.434 7.971 1.00 0.00 C ATOM 1141 C LYS A 76 3.967 -6.145 7.445 1.00 0.00 C ATOM 1142 O LYS A 76 2.843 -5.802 7.812 1.00 0.00 O ATOM 1143 CB LYS A 76 5.604 -6.012 9.332 1.00 0.00 C ATOM 1144 CG LYS A 76 4.419 -6.475 10.162 1.00 0.00 C ATOM 1145 CD LYS A 76 4.733 -6.444 11.648 1.00 0.00 C ATOM 1146 CE LYS A 76 5.701 -7.552 12.037 1.00 0.00 C ATOM 1147 NZ LYS A 76 4.990 -8.813 12.385 1.00 0.00 N ATOM 0 H LYS A 76 4.792 -3.672 9.027 1.00 0.00 H new ATOM 0 HA LYS A 76 6.025 -5.595 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.280 -6.853 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.156 -5.257 9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.559 -5.837 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.142 -7.488 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.161 -5.477 11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.810 -6.549 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.389 -7.739 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.302 -7.228 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.684 -9.543 12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.352 -8.641 13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.437 -9.137 11.566 1.00 0.00 H new ATOM 1161 N ILE A 77 4.177 -7.137 6.586 1.00 0.00 N ATOM 1162 CA ILE A 77 3.074 -7.897 6.013 1.00 0.00 C ATOM 1163 C ILE A 77 3.074 -9.335 6.521 1.00 0.00 C ATOM 1164 O ILE A 77 4.105 -10.007 6.510 1.00 0.00 O ATOM 1165 CB ILE A 77 3.138 -7.908 4.474 1.00 0.00 C ATOM 1166 CG1 ILE A 77 3.019 -6.485 3.927 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.039 -8.794 3.905 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.296 -6.383 2.443 1.00 0.00 C ATOM 0 H ILE A 77 5.101 -7.433 6.272 1.00 0.00 H new ATOM 0 HA ILE A 77 2.154 -7.404 6.327 1.00 0.00 H new ATOM 0 HB ILE A 77 4.102 -8.315 4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.015 -6.110 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.714 -5.839 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.097 -8.792 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.165 -9.812 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.067 -8.413 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.193 -5.346 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.310 -6.727 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.585 -7.002 1.897 1.00 0.00 H new ATOM 1180 N MET A 78 1.911 -9.800 6.965 1.00 0.00 N ATOM 1181 CA MET A 78 1.777 -11.160 7.475 1.00 0.00 C ATOM 1182 C MET A 78 1.016 -12.038 6.487 1.00 0.00 C ATOM 1183 O MET A 78 0.064 -11.589 5.847 1.00 0.00 O ATOM 1184 CB MET A 78 1.060 -11.152 8.826 1.00 0.00 C ATOM 1185 CG MET A 78 1.623 -10.137 9.807 1.00 0.00 C ATOM 1186 SD MET A 78 1.400 -10.634 11.526 1.00 0.00 S ATOM 1187 CE MET A 78 -0.116 -9.772 11.934 1.00 0.00 C ATOM 0 H MET A 78 1.048 -9.256 6.982 1.00 0.00 H new ATOM 0 HA MET A 78 2.777 -11.573 7.605 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.003 -10.942 8.666 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.124 -12.146 9.268 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.686 -9.996 9.608 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.138 -9.174 9.646 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.462 -10.090 12.917 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.068 -8.698 11.944 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.878 -10.003 11.189 1.00 0.00 H new ATOM 1197 N THR A 79 1.440 -13.292 6.367 1.00 0.00 N ATOM 1198 CA THR A 79 0.800 -14.232 5.456 1.00 0.00 C ATOM 1199 C THR A 79 0.179 -15.398 6.217 1.00 0.00 C ATOM 1200 O THR A 79 0.780 -15.935 7.147 1.00 0.00 O ATOM 1201 CB THR A 79 1.800 -14.783 4.422 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.098 -14.908 5.014 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.878 -13.873 3.206 1.00 0.00 C ATOM 0 H THR A 79 2.225 -13.680 6.890 1.00 0.00 H new ATOM 0 HA THR A 79 0.016 -13.683 4.935 1.00 0.00 H new ATOM 0 HB THR A 79 1.452 -15.764 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.727 -15.260 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.590 -14.283 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.895 -13.803 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.205 -12.880 3.515 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.028 -15.785 5.815 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.729 -16.890 6.458 1.00 0.00 C ATOM 1213 C ALA A 80 -2.772 -17.494 5.525 1.00 0.00 C ATOM 1214 O ALA A 80 -3.629 -16.787 4.996 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.382 -16.420 7.749 1.00 0.00 C ATOM 0 H ALA A 80 -1.540 -15.350 5.048 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.999 -17.664 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.902 -17.255 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.617 -16.041 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.096 -15.626 7.528 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.693 -18.807 5.326 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.631 -19.505 4.455 1.00 0.00 C ATOM 1223 C GLU A 81 -3.460 -19.061 3.005 1.00 0.00 C ATOM 1224 O GLU A 81 -4.389 -19.150 2.204 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.069 -19.253 4.911 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.238 -19.252 6.421 1.00 0.00 C ATOM 1227 CD GLU A 81 -6.692 -19.191 6.846 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -7.447 -20.129 6.513 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -7.076 -18.206 7.510 1.00 0.00 O ATOM 0 H GLU A 81 -1.990 -19.407 5.756 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.420 -20.573 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.404 -18.294 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.716 -20.018 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.780 -20.151 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.704 -18.400 6.842 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.264 -18.582 2.676 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.993 -18.131 1.324 1.00 0.00 C ATOM 1238 C GLY A 82 -2.489 -16.721 1.072 1.00 0.00 C ATOM 1239 O GLY A 82 -2.677 -16.316 -0.076 1.00 0.00 O ATOM 0 H GLY A 82 -1.479 -18.498 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.920 -18.174 1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.466 -18.811 0.616 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.705 -15.971 2.147 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.185 -14.598 2.039 1.00 0.00 C ATOM 1245 C LEU A 83 -2.114 -13.609 2.490 1.00 0.00 C ATOM 1246 O LEU A 83 -1.087 -14.001 3.044 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.452 -14.412 2.876 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.565 -15.434 2.644 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.383 -15.629 3.911 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.459 -14.997 1.492 1.00 0.00 C ATOM 0 H LEU A 83 -2.555 -16.291 3.104 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.417 -14.402 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.175 -14.440 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.852 -13.418 2.678 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.107 -16.388 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.170 -16.360 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.735 -15.988 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.831 -14.680 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.246 -15.736 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.908 -14.032 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.864 -14.909 0.583 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.363 -12.326 2.250 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.420 -11.281 2.632 1.00 0.00 C ATOM 1264 C TYR A 84 -2.129 -10.153 3.374 1.00 0.00 C ATOM 1265 O TYR A 84 -3.053 -9.533 2.848 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.713 -10.727 1.394 1.00 0.00 C ATOM 1267 CG TYR A 84 0.083 -11.765 0.635 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.549 -12.683 -0.195 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.466 -11.829 0.750 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.173 -13.634 -0.889 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.196 -12.776 0.058 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.546 -13.676 -0.760 1.00 0.00 C ATOM 1273 OH TYR A 84 2.270 -14.621 -1.450 1.00 0.00 O ATOM 0 H TYR A 84 -3.209 -11.985 1.793 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.679 -11.721 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.456 -10.292 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.046 -9.920 1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.624 -12.652 -0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.979 -11.127 1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.334 -14.341 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.271 -12.811 0.157 1.00 0.00 H new ATOM 0 HH TYR A 84 3.223 -14.513 -1.250 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.688 -9.892 4.601 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.280 -8.839 5.417 1.00 0.00 C ATOM 1285 C ARG A 85 -1.346 -8.447 6.559 1.00 0.00 C ATOM 1286 O ARG A 85 -0.854 -9.304 7.293 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.627 -9.296 5.980 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.603 -10.707 6.546 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.861 -11.008 7.345 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.947 -12.416 7.722 1.00 0.00 N ATOM 1291 CZ ARG A 85 -6.090 -13.038 7.986 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -7.239 -12.380 7.914 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -6.086 -14.322 8.322 1.00 0.00 N ATOM 0 H ARG A 85 -0.923 -10.395 5.051 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.437 -7.967 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.937 -8.605 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.378 -9.242 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.507 -11.425 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.728 -10.830 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.876 -10.391 8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.738 -10.736 6.757 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.081 -12.951 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.246 -11.393 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.115 -12.860 8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.204 -14.832 8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.965 -14.799 8.525 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.107 -7.147 6.701 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.233 -6.642 7.752 1.00 0.00 C ATOM 1309 C ILE A 86 -0.866 -6.825 9.128 1.00 0.00 C ATOM 1310 O ILE A 86 -0.170 -6.875 10.143 1.00 0.00 O ATOM 1311 CB ILE A 86 0.095 -5.152 7.545 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.151 -4.296 7.781 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.645 -4.921 6.146 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.839 -2.850 8.098 1.00 0.00 C ATOM 0 H ILE A 86 -1.507 -6.425 6.101 1.00 0.00 H new ATOM 0 HA ILE A 86 0.690 -7.219 7.699 1.00 0.00 H new ATOM 0 HB ILE A 86 0.857 -4.859 8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.783 -4.337 6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.726 -4.724 8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.872 -3.863 6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.554 -5.507 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.097 -5.227 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.769 -2.303 8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.232 -2.798 9.002 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.291 -2.405 7.267 1.00 0.00 H new ATOM 1326 N THR A 87 -2.191 -6.927 9.155 1.00 0.00 N ATOM 1327 CA THR A 87 -2.919 -7.106 10.405 1.00 0.00 C ATOM 1328 C THR A 87 -3.928 -8.243 10.296 1.00 0.00 C ATOM 1329 O THR A 87 -4.492 -8.484 9.229 1.00 0.00 O ATOM 1330 CB THR A 87 -3.657 -5.817 10.814 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.339 -6.017 12.057 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.654 -5.401 9.744 1.00 0.00 C ATOM 0 H THR A 87 -2.782 -6.889 8.325 1.00 0.00 H new ATOM 0 HA THR A 87 -2.181 -7.352 11.168 1.00 0.00 H new ATOM 0 HB THR A 87 -2.919 -5.023 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.804 -5.193 12.311 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.163 -4.489 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.128 -5.221 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.387 -6.195 9.602 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.152 -8.938 11.407 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.095 -10.050 11.435 1.00 0.00 C ATOM 1342 C GLU A 88 -6.532 -9.543 11.504 1.00 0.00 C ATOM 1343 O GLU A 88 -7.337 -10.031 12.299 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.806 -10.963 12.628 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.987 -10.281 13.974 1.00 0.00 C ATOM 1346 CD GLU A 88 -5.144 -11.270 15.112 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -4.321 -12.205 15.204 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -6.090 -11.110 15.911 1.00 0.00 O ATOM 0 H GLU A 88 -3.694 -8.751 12.299 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.973 -10.620 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.464 -11.831 12.578 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.784 -11.333 12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.128 -9.640 14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.864 -9.635 13.935 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.849 -8.561 10.667 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.188 -7.987 10.631 1.00 0.00 C ATOM 1357 C LYS A 89 -8.917 -8.387 9.352 1.00 0.00 C ATOM 1358 O LYS A 89 -10.091 -8.758 9.384 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.115 -6.462 10.734 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.798 -5.961 12.132 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.062 -5.738 12.945 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.829 -7.035 13.151 1.00 0.00 C ATOM 1363 NZ LYS A 89 -10.818 -6.925 14.259 1.00 0.00 N ATOM 0 H LYS A 89 -6.195 -8.146 10.003 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.746 -8.376 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.354 -6.096 10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.067 -6.039 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.159 -6.682 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.237 -5.029 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.802 -5.310 13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.699 -5.014 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.345 -7.302 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.128 -7.841 13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.320 -7.829 14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.323 -6.695 15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.503 -6.173 14.040 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.215 -8.309 8.227 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.793 -8.665 6.937 1.00 0.00 C ATOM 1379 C LYS A 90 -7.712 -9.125 5.964 1.00 0.00 C ATOM 1380 O LYS A 90 -6.832 -8.351 5.589 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.551 -7.473 6.348 1.00 0.00 C ATOM 1382 CG LYS A 90 -10.774 -7.869 5.540 1.00 0.00 C ATOM 1383 CD LYS A 90 -10.423 -8.122 4.084 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.617 -7.883 3.173 1.00 0.00 C ATOM 1385 NZ LYS A 90 -11.444 -8.540 1.848 1.00 0.00 N ATOM 0 H LYS A 90 -7.243 -8.002 8.183 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.489 -9.489 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.860 -6.813 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.875 -6.902 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.219 -8.767 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.524 -7.080 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.602 -7.469 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.073 -9.148 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.520 -8.262 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.757 -6.811 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.306 -8.411 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.636 -8.113 1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.268 -9.556 1.985 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.785 -10.388 5.559 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.815 -10.949 4.627 1.00 0.00 C ATOM 1401 C ALA A 91 -7.313 -10.848 3.189 1.00 0.00 C ATOM 1402 O ALA A 91 -8.519 -10.841 2.938 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.517 -12.398 4.984 1.00 0.00 C ATOM 0 H ALA A 91 -8.506 -11.043 5.862 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.895 -10.370 4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.791 -12.804 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.110 -12.448 5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.436 -12.981 4.934 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.378 -10.770 2.248 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.723 -10.668 0.835 1.00 0.00 C ATOM 1411 C PHE A 92 -5.976 -11.717 0.016 1.00 0.00 C ATOM 1412 O PHE A 92 -4.809 -12.009 0.278 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.398 -9.268 0.309 1.00 0.00 C ATOM 1414 CG PHE A 92 -6.988 -8.164 1.139 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.507 -7.905 2.413 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.022 -7.385 0.646 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.049 -6.890 3.179 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.567 -6.369 1.408 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.079 -6.120 2.675 1.00 0.00 C ATOM 0 H PHE A 92 -5.376 -10.775 2.438 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.793 -10.848 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.316 -9.145 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.765 -9.179 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.700 -8.503 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.407 -7.574 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.667 -6.699 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.374 -5.770 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.502 -5.325 3.271 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.658 -12.280 -0.976 1.00 0.00 N ATOM 1430 CA ARG A 93 -6.061 -13.297 -1.833 1.00 0.00 C ATOM 1431 C ARG A 93 -4.583 -13.006 -2.075 1.00 0.00 C ATOM 1432 O ARG A 93 -3.735 -13.886 -1.937 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.803 -13.369 -3.169 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.279 -13.705 -3.028 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.507 -15.208 -2.983 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.573 -15.711 -1.614 1.00 0.00 N ATOM 1437 CZ ARG A 93 -9.701 -15.798 -0.917 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.850 -15.420 -1.459 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -9.680 -16.267 0.324 1.00 0.00 N ATOM 0 H ARG A 93 -7.624 -12.049 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.146 -14.258 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.704 -12.412 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.327 -14.120 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.672 -13.249 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.832 -13.277 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.434 -15.450 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.701 -15.713 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.706 -16.012 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.870 -15.061 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.714 -15.488 -0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.798 -16.561 0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.546 -16.334 0.859 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.282 -11.762 -2.438 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.907 -11.377 -2.694 1.00 0.00 C ATOM 1455 C GLY A 94 -2.659 -9.905 -2.431 1.00 0.00 C ATOM 1456 O GLY A 94 -3.574 -9.170 -2.058 1.00 0.00 O ATOM 0 H GLY A 94 -4.966 -11.015 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.243 -11.972 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.656 -11.605 -3.730 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.417 -9.472 -2.622 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.050 -8.078 -2.401 1.00 0.00 C ATOM 1462 C LEU A 95 -1.996 -7.141 -3.145 1.00 0.00 C ATOM 1463 O LEU A 95 -2.699 -6.335 -2.534 1.00 0.00 O ATOM 1464 CB LEU A 95 0.390 -7.831 -2.853 1.00 0.00 C ATOM 1465 CG LEU A 95 1.474 -8.073 -1.803 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.629 -6.855 -0.905 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.150 -9.309 -0.976 1.00 0.00 C ATOM 0 H LEU A 95 -0.647 -10.067 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.130 -7.872 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.595 -8.471 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.470 -6.800 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 95 2.420 -8.242 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.405 -7.046 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.908 -5.991 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.685 -6.654 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.933 -9.466 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.194 -9.169 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.091 -10.179 -1.630 1.00 0.00 H new ATOM 1479 N THR A 96 -2.012 -7.254 -4.470 1.00 0.00 N ATOM 1480 CA THR A 96 -2.872 -6.418 -5.298 1.00 0.00 C ATOM 1481 C THR A 96 -4.171 -6.080 -4.575 1.00 0.00 C ATOM 1482 O THR A 96 -4.634 -4.940 -4.612 1.00 0.00 O ATOM 1483 CB THR A 96 -3.206 -7.107 -6.635 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.017 -7.656 -7.213 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.841 -6.123 -7.606 1.00 0.00 C ATOM 0 H THR A 96 -1.439 -7.917 -4.992 1.00 0.00 H new ATOM 0 HA THR A 96 -2.321 -5.499 -5.499 1.00 0.00 H new ATOM 0 HB THR A 96 -3.917 -7.909 -6.438 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.318 -6.970 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.068 -6.632 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.761 -5.729 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.149 -5.303 -7.797 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.754 -7.078 -3.917 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.000 -6.884 -3.186 1.00 0.00 C ATOM 1495 C GLU A 97 -5.752 -6.144 -1.875 1.00 0.00 C ATOM 1496 O GLU A 97 -6.317 -5.076 -1.635 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.667 -8.232 -2.905 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.230 -8.904 -4.146 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.234 -8.034 -4.876 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -7.807 -7.079 -5.558 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -9.447 -8.308 -4.765 1.00 0.00 O ATOM 0 H GLU A 97 -4.383 -8.027 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.664 -6.280 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.940 -8.898 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.472 -8.086 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.412 -9.154 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.707 -9.842 -3.862 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.905 -6.719 -1.029 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.581 -6.115 0.259 1.00 0.00 C ATOM 1510 C LEU A 98 -4.296 -4.624 0.105 1.00 0.00 C ATOM 1511 O LEU A 98 -4.730 -3.811 0.921 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.373 -6.815 0.884 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.934 -6.300 2.255 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.009 -5.103 2.104 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.146 -5.937 3.101 1.00 0.00 C ATOM 0 H LEU A 98 -4.430 -7.603 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.443 -6.236 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.600 -7.877 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.531 -6.725 0.198 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.386 -7.094 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.707 -4.750 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.125 -5.395 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.531 -4.304 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.815 -5.572 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.721 -5.159 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.771 -6.819 3.238 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.565 -4.273 -0.948 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.224 -2.880 -1.211 1.00 0.00 C ATOM 1529 C VAL A 99 -4.446 -2.093 -1.672 1.00 0.00 C ATOM 1530 O VAL A 99 -4.658 -0.956 -1.253 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.119 -2.764 -2.278 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.977 -1.323 -2.746 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.799 -3.290 -1.737 1.00 0.00 C ATOM 0 H VAL A 99 -3.198 -4.934 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.858 -2.461 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.402 -3.373 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.192 -1.261 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.920 -0.985 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.717 -0.689 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.030 -3.200 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.508 -2.710 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.912 -4.337 -1.457 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.246 -2.707 -2.538 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.447 -2.063 -3.057 1.00 0.00 C ATOM 1545 C GLU A 100 -7.331 -1.563 -1.918 1.00 0.00 C ATOM 1546 O GLU A 100 -8.009 -0.543 -2.045 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.233 -3.035 -3.939 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.872 -2.948 -5.412 1.00 0.00 C ATOM 1549 CD GLU A 100 -8.042 -3.273 -6.321 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.986 -2.459 -6.387 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.012 -4.342 -6.965 1.00 0.00 O ATOM 0 H GLU A 100 -5.084 -3.649 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.139 -1.207 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.057 -4.053 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.299 -2.838 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.512 -1.944 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.052 -3.635 -5.622 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.320 -2.290 -0.806 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.122 -1.923 0.356 1.00 0.00 C ATOM 1560 C PHE A 101 -7.531 -0.707 1.062 1.00 0.00 C ATOM 1561 O PHE A 101 -8.186 0.327 1.195 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.214 -3.098 1.331 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.351 -2.981 2.306 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.657 -3.195 1.896 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.113 -2.657 3.632 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.705 -3.088 2.790 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -10.157 -2.549 4.531 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.455 -2.764 4.109 1.00 0.00 C ATOM 0 H PHE A 101 -6.765 -3.137 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.124 -1.669 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.326 -4.022 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.278 -3.175 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.858 -3.448 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.100 -2.487 3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.719 -3.258 2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.959 -2.297 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.273 -2.679 4.809 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.288 -0.838 1.514 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.609 0.248 2.209 1.00 0.00 C ATOM 1580 C TYR A 102 -5.578 1.509 1.352 1.00 0.00 C ATOM 1581 O TYR A 102 -5.251 2.593 1.835 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.183 -0.167 2.577 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.120 -1.252 3.628 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.017 -1.273 4.688 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.163 -2.257 3.560 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -4.963 -2.262 5.651 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.101 -3.251 4.517 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.003 -3.249 5.561 1.00 0.00 C ATOM 1589 OH TYR A 102 -3.946 -4.237 6.517 1.00 0.00 O ATOM 0 H TYR A 102 -5.731 -1.686 1.411 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.165 0.465 3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.671 -0.513 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.641 0.707 2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.770 -0.502 4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.455 -2.261 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.668 -2.263 6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.351 -4.025 4.448 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.874 -3.829 7.405 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.923 1.359 0.077 1.00 0.00 N ATOM 1600 CA GLN A 103 -5.935 2.485 -0.849 1.00 0.00 C ATOM 1601 C GLN A 103 -7.126 3.399 -0.579 1.00 0.00 C ATOM 1602 O GLN A 103 -7.114 4.573 -0.946 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.978 1.985 -2.294 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.606 1.679 -2.873 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.674 1.180 -4.303 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.712 1.281 -4.959 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.566 0.639 -4.795 1.00 0.00 N ATOM 0 H GLN A 103 -6.198 0.469 -0.338 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.019 3.057 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.592 1.085 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.466 2.736 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.991 2.578 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.113 0.929 -2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.729 0.576 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.552 0.287 -5.752 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.152 2.850 0.064 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.351 3.616 0.381 1.00 0.00 C ATOM 1618 C GLN A 104 -9.526 3.754 1.890 1.00 0.00 C ATOM 1619 O GLN A 104 -10.412 4.467 2.360 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.585 2.948 -0.228 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.987 1.660 0.471 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.800 0.741 -0.420 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -13.029 0.720 -0.353 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.116 -0.024 -1.262 1.00 0.00 N ATOM 0 H GLN A 104 -8.177 1.879 0.375 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.238 4.612 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.421 3.647 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.391 2.736 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -10.091 1.137 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.566 1.901 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -10.097 0.026 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.609 -0.662 -1.887 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.675 3.065 2.644 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.736 3.110 4.101 1.00 0.00 C ATOM 1635 C ASN A 105 -7.351 3.342 4.696 1.00 0.00 C ATOM 1636 O ASN A 105 -6.442 2.532 4.515 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.327 1.809 4.647 1.00 0.00 C ATOM 1638 CG ASN A 105 -9.092 0.632 3.720 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -8.101 -0.088 3.851 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.003 0.432 2.775 1.00 0.00 N ATOM 0 H ASN A 105 -7.936 2.469 2.271 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.379 3.942 4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.887 1.594 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.398 1.937 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.897 -0.343 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.809 1.054 2.703 1.00 0.00 H new ATOM 1647 N SER A 106 -7.198 4.454 5.409 1.00 0.00 N ATOM 1648 CA SER A 106 -5.923 4.795 6.029 1.00 0.00 C ATOM 1649 C SER A 106 -5.384 3.622 6.843 1.00 0.00 C ATOM 1650 O SER A 106 -6.149 2.845 7.415 1.00 0.00 O ATOM 1651 CB SER A 106 -6.081 6.023 6.927 1.00 0.00 C ATOM 1652 OG SER A 106 -4.865 6.746 7.020 1.00 0.00 O ATOM 0 H SER A 106 -7.941 5.134 5.571 1.00 0.00 H new ATOM 0 HA SER A 106 -5.211 5.023 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.863 6.670 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.400 5.712 7.922 1.00 0.00 H new ATOM 0 HG SER A 106 -4.205 6.355 6.410 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.062 3.501 6.889 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.418 2.423 7.633 1.00 0.00 C ATOM 1660 C LEU A 107 -3.578 2.628 9.136 1.00 0.00 C ATOM 1661 O LEU A 107 -3.296 1.729 9.929 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.933 2.345 7.272 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.601 1.674 5.939 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.646 0.160 6.077 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -2.560 2.141 4.854 1.00 0.00 C ATOM 0 H LEU A 107 -3.415 4.135 6.420 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.902 1.485 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.530 3.358 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.414 1.807 8.066 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.590 1.962 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.407 -0.300 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.919 -0.159 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.644 -0.147 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.309 1.653 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.581 1.883 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.478 3.222 4.736 1.00 0.00 H new ATOM 1677 N LYS A 108 -4.034 3.815 9.521 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.236 4.137 10.929 1.00 0.00 C ATOM 1679 C LYS A 108 -4.872 2.966 11.670 1.00 0.00 C ATOM 1680 O LYS A 108 -4.507 2.666 12.806 1.00 0.00 O ATOM 1681 CB LYS A 108 -5.117 5.381 11.067 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.589 5.115 10.808 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.390 6.406 10.764 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.875 6.135 10.583 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.708 7.287 11.027 1.00 0.00 N ATOM 0 H LYS A 108 -4.271 4.570 8.878 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.261 4.338 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.001 5.788 12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.766 6.143 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.703 4.583 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.985 4.466 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.231 6.966 11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.031 7.031 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.080 5.922 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.153 5.246 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.714 7.062 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.532 7.475 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.461 8.129 10.470 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.825 2.307 11.018 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.510 1.167 11.615 1.00 0.00 C ATOM 1701 C ASP A 109 -5.509 0.182 12.211 1.00 0.00 C ATOM 1702 O ASP A 109 -5.661 -0.260 13.350 1.00 0.00 O ATOM 1703 CB ASP A 109 -7.377 0.462 10.570 1.00 0.00 C ATOM 1704 CG ASP A 109 -8.600 -0.195 11.180 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -9.638 0.486 11.309 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.518 -1.391 11.529 1.00 0.00 O ATOM 0 H ASP A 109 -6.140 2.543 10.077 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.149 1.538 12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.693 1.184 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.781 -0.292 10.057 1.00 0.00 H new ATOM 1711 N CYS A 110 -4.488 -0.159 11.433 1.00 0.00 N ATOM 1712 CA CYS A 110 -3.462 -1.094 11.883 1.00 0.00 C ATOM 1713 C CYS A 110 -2.384 -0.373 12.685 1.00 0.00 C ATOM 1714 O CYS A 110 -1.901 -0.885 13.695 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.833 -1.808 10.685 1.00 0.00 C ATOM 1716 SG CYS A 110 -4.008 -2.237 9.380 1.00 0.00 S ATOM 0 H CYS A 110 -4.348 0.198 10.488 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.936 -1.833 12.529 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.055 -1.171 10.264 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -2.345 -2.718 11.033 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.723 -1.568 8.303 1.00 0.00 H new ATOM 1722 N PHE A 111 -2.011 0.818 12.229 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.987 1.608 12.902 1.00 0.00 C ATOM 1724 C PHE A 111 -1.426 3.063 13.039 1.00 0.00 C ATOM 1725 O PHE A 111 -1.078 3.909 12.214 1.00 0.00 O ATOM 1726 CB PHE A 111 0.334 1.532 12.135 1.00 0.00 C ATOM 1727 CG PHE A 111 0.933 0.155 12.107 1.00 0.00 C ATOM 1728 CD1 PHE A 111 1.646 -0.327 13.193 1.00 0.00 C ATOM 1729 CD2 PHE A 111 0.781 -0.659 10.996 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.199 -1.593 13.170 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.331 -1.926 10.967 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.040 -2.395 12.056 1.00 0.00 C ATOM 0 H PHE A 111 -2.403 1.257 11.396 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.843 1.194 13.900 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.170 1.869 11.111 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.048 2.221 12.587 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.771 0.294 14.068 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.226 -0.299 10.143 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.755 -1.955 14.022 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.207 -2.549 10.094 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.469 -3.386 12.037 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.194 3.348 14.085 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.681 4.700 14.332 1.00 0.00 C ATOM 1744 C LYS A 112 -1.619 5.735 13.975 1.00 0.00 C ATOM 1745 O LYS A 112 -1.805 6.539 13.062 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.089 4.857 15.799 1.00 0.00 C ATOM 1747 CG LYS A 112 -4.157 5.913 16.023 1.00 0.00 C ATOM 1748 CD LYS A 112 -4.018 6.566 17.388 1.00 0.00 C ATOM 1749 CE LYS A 112 -4.823 5.826 18.445 1.00 0.00 C ATOM 1750 NZ LYS A 112 -4.226 4.501 18.770 1.00 0.00 N ATOM 0 H LYS A 112 -2.493 2.660 14.776 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.552 4.867 13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.453 3.899 16.171 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.208 5.113 16.387 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.086 6.674 15.246 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -5.144 5.458 15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.967 6.586 17.677 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.353 7.602 17.333 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.878 6.431 19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.845 5.687 18.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.549 4.196 19.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.523 3.803 18.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.189 4.578 18.768 1.00 0.00 H new ATOM 1764 N SER A 113 -0.505 5.707 14.700 1.00 0.00 N ATOM 1765 CA SER A 113 0.586 6.644 14.461 1.00 0.00 C ATOM 1766 C SER A 113 0.790 6.870 12.966 1.00 0.00 C ATOM 1767 O SER A 113 1.132 7.972 12.533 1.00 0.00 O ATOM 1768 CB SER A 113 1.880 6.126 15.091 1.00 0.00 C ATOM 1769 OG SER A 113 2.884 7.125 15.089 1.00 0.00 O ATOM 0 H SER A 113 -0.335 5.046 15.458 1.00 0.00 H new ATOM 0 HA SER A 113 0.322 7.596 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.686 5.803 16.114 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.231 5.252 14.542 1.00 0.00 H new ATOM 0 HG SER A 113 3.700 6.769 15.498 1.00 0.00 H new ATOM 1775 N LEU A 114 0.579 5.820 12.181 1.00 0.00 N ATOM 1776 CA LEU A 114 0.739 5.901 10.733 1.00 0.00 C ATOM 1777 C LEU A 114 -0.613 6.049 10.043 1.00 0.00 C ATOM 1778 O LEU A 114 -1.269 5.058 9.723 1.00 0.00 O ATOM 1779 CB LEU A 114 1.459 4.657 10.209 1.00 0.00 C ATOM 1780 CG LEU A 114 1.923 4.714 8.754 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.461 6.096 8.419 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.979 3.650 8.489 1.00 0.00 C ATOM 0 H LEU A 114 0.296 4.901 12.523 1.00 0.00 H new ATOM 0 HA LEU A 114 1.339 6.782 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.328 4.472 10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.794 3.801 10.324 1.00 0.00 H new ATOM 0 HG LEU A 114 1.066 4.515 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.787 6.117 7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.677 6.838 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.306 6.325 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.298 3.705 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.836 3.818 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.560 2.664 8.688 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.022 7.292 9.815 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.295 7.570 9.159 1.00 0.00 C ATOM 1796 C ASP A 115 -2.079 7.976 7.704 1.00 0.00 C ATOM 1797 O ASP A 115 -2.122 9.159 7.365 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.046 8.674 9.904 1.00 0.00 C ATOM 1799 CG ASP A 115 -2.112 9.708 10.502 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.340 9.351 11.416 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.154 10.874 10.057 1.00 0.00 O ATOM 0 H ASP A 115 -0.491 8.123 10.075 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.893 6.659 9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.737 9.166 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.647 8.229 10.697 1.00 0.00 H new ATOM 1806 N THR A 116 -1.846 6.986 6.847 1.00 0.00 N ATOM 1807 CA THR A 116 -1.621 7.240 5.430 1.00 0.00 C ATOM 1808 C THR A 116 -2.385 6.244 4.565 1.00 0.00 C ATOM 1809 O THR A 116 -3.068 5.356 5.078 1.00 0.00 O ATOM 1810 CB THR A 116 -0.124 7.166 5.076 1.00 0.00 C ATOM 1811 OG1 THR A 116 0.095 7.686 3.760 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.380 5.733 5.152 1.00 0.00 C ATOM 0 H THR A 116 -1.808 6.001 7.110 1.00 0.00 H new ATOM 0 HA THR A 116 -1.985 8.247 5.228 1.00 0.00 H new ATOM 0 HB THR A 116 0.428 7.767 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.187 8.661 3.805 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.440 5.706 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.239 5.351 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.177 5.114 4.449 1.00 0.00 H new ATOM 1820 N THR A 117 -2.267 6.396 3.250 1.00 0.00 N ATOM 1821 CA THR A 117 -2.947 5.510 2.314 1.00 0.00 C ATOM 1822 C THR A 117 -2.110 5.290 1.059 1.00 0.00 C ATOM 1823 O THR A 117 -1.348 6.165 0.646 1.00 0.00 O ATOM 1824 CB THR A 117 -4.322 6.072 1.907 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.239 7.490 1.726 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.371 5.752 2.962 1.00 0.00 C ATOM 0 H THR A 117 -1.706 7.125 2.809 1.00 0.00 H new ATOM 0 HA THR A 117 -3.088 4.558 2.826 1.00 0.00 H new ATOM 0 HB THR A 117 -4.617 5.603 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.117 7.839 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.334 6.159 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.454 4.671 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.078 6.196 3.913 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.256 4.115 0.455 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.513 3.779 -0.755 1.00 0.00 C ATOM 1836 C LEU A 118 -1.902 4.702 -1.906 1.00 0.00 C ATOM 1837 O LEU A 118 -2.790 4.383 -2.696 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.768 2.322 -1.145 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.294 1.267 -0.145 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.190 1.431 0.141 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.100 1.353 1.143 1.00 0.00 C ATOM 0 H LEU A 118 -2.882 3.380 0.783 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.451 3.913 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.839 2.191 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.281 2.132 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.451 0.282 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.509 0.671 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.754 1.318 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.373 2.421 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.749 0.595 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.975 2.341 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.154 1.185 0.924 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.229 5.844 -1.995 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.504 6.812 -3.051 1.00 0.00 C ATOM 1855 C GLN A 119 -1.063 6.275 -4.409 1.00 0.00 C ATOM 1856 O GLN A 119 -1.891 5.882 -5.231 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.794 8.135 -2.757 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.982 8.622 -1.329 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.911 10.132 -1.214 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.703 10.832 -2.205 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.085 10.642 0.000 1.00 0.00 N ATOM 0 H GLN A 119 -0.490 6.122 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.580 6.984 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.271 8.018 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.164 8.897 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.947 8.278 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.217 8.176 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.255 10.024 0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.049 11.652 0.139 1.00 0.00 H new ATOM 1870 N PHE A 120 0.246 6.262 -4.638 1.00 0.00 N ATOM 1871 CA PHE A 120 0.797 5.775 -5.897 1.00 0.00 C ATOM 1872 C PHE A 120 2.077 4.980 -5.659 1.00 0.00 C ATOM 1873 O PHE A 120 2.789 5.181 -4.675 1.00 0.00 O ATOM 1874 CB PHE A 120 1.078 6.945 -6.842 1.00 0.00 C ATOM 1875 CG PHE A 120 0.184 8.130 -6.611 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.156 8.082 -6.958 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.685 9.293 -6.046 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -1.981 9.171 -6.747 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.135 10.384 -5.832 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.470 10.323 -6.184 1.00 0.00 C ATOM 0 H PHE A 120 0.945 6.583 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 120 0.061 5.115 -6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.116 7.255 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.961 6.607 -7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.561 7.183 -7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.728 9.346 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.024 9.120 -7.022 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.267 11.284 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.112 11.175 -6.019 1.00 0.00 H new ATOM 1890 N PRO A 121 2.378 4.054 -6.581 1.00 0.00 N ATOM 1891 CA PRO A 121 3.573 3.209 -6.495 1.00 0.00 C ATOM 1892 C PRO A 121 4.858 3.997 -6.725 1.00 0.00 C ATOM 1893 O PRO A 121 4.830 5.109 -7.253 1.00 0.00 O ATOM 1894 CB PRO A 121 3.366 2.185 -7.614 1.00 0.00 C ATOM 1895 CG PRO A 121 2.474 2.869 -8.592 1.00 0.00 C ATOM 1896 CD PRO A 121 1.575 3.760 -7.780 1.00 0.00 C ATOM 0 HA PRO A 121 3.686 2.763 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.314 1.902 -8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.910 1.270 -7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.054 3.449 -9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.893 2.145 -9.163 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.315 4.669 -8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.640 3.262 -7.525 1.00 0.00 H new ATOM 1904 N PHE A 122 5.984 3.414 -6.327 1.00 0.00 N ATOM 1905 CA PHE A 122 7.280 4.063 -6.490 1.00 0.00 C ATOM 1906 C PHE A 122 7.724 4.031 -7.949 1.00 0.00 C ATOM 1907 O PHE A 122 8.357 4.967 -8.438 1.00 0.00 O ATOM 1908 CB PHE A 122 8.329 3.380 -5.610 1.00 0.00 C ATOM 1909 CG PHE A 122 8.841 2.088 -6.180 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.075 0.936 -6.115 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.088 2.027 -6.782 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.544 -0.255 -6.638 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.562 0.840 -7.307 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.788 -0.302 -7.236 1.00 0.00 C ATOM 0 H PHE A 122 6.025 2.494 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 122 7.180 5.104 -6.182 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.168 4.061 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.898 3.189 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.100 0.968 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.696 2.918 -6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.938 -1.147 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.536 0.805 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.155 -1.230 -7.648 1.00 0.00 H new ATOM 1924 N LYS A 123 7.389 2.947 -8.640 1.00 0.00 N ATOM 1925 CA LYS A 123 7.752 2.791 -10.043 1.00 0.00 C ATOM 1926 C LYS A 123 6.927 3.722 -10.925 1.00 0.00 C ATOM 1927 O LYS A 123 7.338 4.069 -12.032 1.00 0.00 O ATOM 1928 CB LYS A 123 7.548 1.340 -10.486 1.00 0.00 C ATOM 1929 CG LYS A 123 8.731 0.438 -10.177 1.00 0.00 C ATOM 1930 CD LYS A 123 8.866 -0.675 -11.203 1.00 0.00 C ATOM 1931 CE LYS A 123 8.134 -1.932 -10.761 1.00 0.00 C ATOM 1932 NZ LYS A 123 9.023 -2.853 -9.999 1.00 0.00 N ATOM 0 H LYS A 123 6.866 2.163 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 123 8.804 3.054 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.660 0.941 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.357 1.320 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.646 1.030 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.611 0.006 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.468 -0.339 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.921 -0.902 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.280 -1.656 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.740 -2.449 -11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.458 -3.392 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.487 -3.511 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.746 -2.300 -9.495 1.00 0.00 H new ATOM 1946 N GLU A 124 5.762 4.125 -10.426 1.00 0.00 N ATOM 1947 CA GLU A 124 4.881 5.018 -11.170 1.00 0.00 C ATOM 1948 C GLU A 124 5.688 5.987 -12.029 1.00 0.00 C ATOM 1949 O GLU A 124 6.640 6.619 -11.570 1.00 0.00 O ATOM 1950 CB GLU A 124 3.980 5.798 -10.210 1.00 0.00 C ATOM 1951 CG GLU A 124 2.569 6.005 -10.733 1.00 0.00 C ATOM 1952 CD GLU A 124 2.425 7.287 -11.532 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.702 8.369 -10.973 1.00 0.00 O ATOM 1954 OE2 GLU A 124 2.035 7.207 -12.715 1.00 0.00 O ATOM 0 H GLU A 124 5.407 3.848 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 124 4.259 4.409 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.932 5.268 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.431 6.770 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.290 5.158 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.874 6.024 -9.894 1.00 0.00 H new ATOM 1961 N PRO A 125 5.301 6.108 -13.308 1.00 0.00 N ATOM 1962 CA PRO A 125 5.974 6.998 -14.258 1.00 0.00 C ATOM 1963 C PRO A 125 5.733 8.471 -13.944 1.00 0.00 C ATOM 1964 O PRO A 125 4.680 8.839 -13.425 1.00 0.00 O ATOM 1965 CB PRO A 125 5.340 6.627 -15.601 1.00 0.00 C ATOM 1966 CG PRO A 125 4.002 6.074 -15.249 1.00 0.00 C ATOM 1967 CD PRO A 125 4.175 5.385 -13.923 1.00 0.00 C ATOM 0 HA PRO A 125 7.057 6.876 -14.234 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.250 7.498 -16.250 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.944 5.893 -16.134 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.257 6.867 -15.183 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.656 5.375 -16.010 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.273 5.453 -13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.397 4.325 -14.047 1.00 0.00 H new