USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 48 ASN : amide:sc= -5! K(o=-10!,f=-1.1) USER MOD Set 1.2: A 79 GLN : amide:sc= -5.13! K(o=-10!,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -92:sc= 1.3 USER MOD Single : A 33 ASN : amide:sc= -7.89! C(o=-7.9!,f=-6.5!) USER MOD Single : A 50 GLN : amide:sc= -1.63 X(o=-1.6,f=-2) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= -1.51 (180deg=-1.85) USER MOD Single : A 66 SER OG : rot -22:sc= -0.178 USER MOD Single : A 71 SER OG : rot 88:sc= 0.0197 USER MOD Single : A 76 SER OG : rot -172:sc= 1.05 USER MOD Single : A 89 MET CE :methyl -160:sc= -2.69! (180deg=-4.94!) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.0526 (180deg=-0.269) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.176 X(o=-0.18,f=0.08) USER MOD Single : A 107 TYR OH : rot 90:sc= -1.09 USER MOD Single : A 110 THR OG1 : rot -17:sc= 0.373 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.907 -0.642 5.180 1.00 0.00 N ATOM 348 CA ALA A 23 -11.628 -1.921 4.541 1.00 0.00 C ATOM 349 C ALA A 23 -10.191 -2.367 4.779 1.00 0.00 C ATOM 350 O ALA A 23 -9.815 -3.477 4.413 1.00 0.00 O ATOM 351 CB ALA A 23 -11.910 -1.836 3.051 1.00 0.00 C ATOM 0 HA ALA A 23 -12.286 -2.666 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.698 -2.798 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.958 -1.580 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.277 -1.069 2.604 1.00 0.00 H new ATOM 357 N PHE A 24 -9.396 -1.499 5.396 1.00 0.00 N ATOM 358 CA PHE A 24 -8.001 -1.802 5.679 1.00 0.00 C ATOM 359 C PHE A 24 -7.884 -3.039 6.560 1.00 0.00 C ATOM 360 O PHE A 24 -7.116 -3.956 6.267 1.00 0.00 O ATOM 361 CB PHE A 24 -7.342 -0.611 6.372 1.00 0.00 C ATOM 362 CG PHE A 24 -5.868 -0.501 6.114 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.034 -1.595 6.283 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.316 0.700 5.706 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.680 -1.492 6.050 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.961 0.809 5.471 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.142 -0.287 5.643 1.00 0.00 C ATOM 0 H PHE A 24 -9.697 -0.577 5.710 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.493 -2.000 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.829 0.306 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.509 -0.690 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.450 -2.539 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.953 1.562 5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.041 -2.352 6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.542 1.752 5.153 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.081 -0.203 5.460 1.00 0.00 H new ATOM 377 N GLU A 25 -8.649 -3.054 7.644 1.00 0.00 N ATOM 378 CA GLU A 25 -8.629 -4.171 8.576 1.00 0.00 C ATOM 379 C GLU A 25 -9.108 -5.475 7.935 1.00 0.00 C ATOM 380 O GLU A 25 -8.362 -6.448 7.916 1.00 0.00 O ATOM 381 CB GLU A 25 -9.477 -3.873 9.801 1.00 0.00 C ATOM 382 CG GLU A 25 -8.688 -3.324 10.978 1.00 0.00 C ATOM 383 CD GLU A 25 -9.533 -3.172 12.227 1.00 0.00 C ATOM 384 OE1 GLU A 25 -10.158 -2.104 12.395 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.571 -4.123 13.037 1.00 0.00 O ATOM 0 H GLU A 25 -9.291 -2.304 7.899 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.589 -4.302 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.251 -3.156 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.984 -4.787 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.850 -3.988 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.267 -2.355 10.708 1.00 0.00 H new ATOM 392 N PRO A 26 -10.355 -5.533 7.405 1.00 0.00 N ATOM 393 CA PRO A 26 -10.876 -6.756 6.780 1.00 0.00 C ATOM 394 C PRO A 26 -9.967 -7.225 5.657 1.00 0.00 C ATOM 395 O PRO A 26 -10.066 -8.355 5.178 1.00 0.00 O ATOM 396 CB PRO A 26 -12.249 -6.343 6.235 1.00 0.00 C ATOM 397 CG PRO A 26 -12.237 -4.853 6.222 1.00 0.00 C ATOM 398 CD PRO A 26 -11.334 -4.435 7.346 1.00 0.00 C ATOM 0 HA PRO A 26 -10.937 -7.588 7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.411 -6.743 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.053 -6.724 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.872 -4.474 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.242 -4.454 6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.855 -3.477 7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.879 -4.328 8.284 1.00 0.00 H new ATOM 406 N LEU A 27 -9.080 -6.330 5.253 1.00 0.00 N ATOM 407 CA LEU A 27 -8.112 -6.599 4.208 1.00 0.00 C ATOM 408 C LEU A 27 -6.913 -7.332 4.800 1.00 0.00 C ATOM 409 O LEU A 27 -6.357 -8.245 4.188 1.00 0.00 O ATOM 410 CB LEU A 27 -7.698 -5.262 3.589 1.00 0.00 C ATOM 411 CG LEU A 27 -6.217 -5.093 3.253 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.825 -5.979 2.081 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.917 -3.632 2.953 1.00 0.00 C ATOM 0 H LEU A 27 -9.013 -5.391 5.645 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.540 -7.235 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.273 -5.117 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.985 -4.465 4.276 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.625 -5.401 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.767 -5.842 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.010 -7.022 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.417 -5.708 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.859 -3.519 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.517 -3.304 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.159 -3.024 3.825 1.00 0.00 H new ATOM 425 N LEU A 28 -6.533 -6.917 6.003 1.00 0.00 N ATOM 426 CA LEU A 28 -5.418 -7.521 6.719 1.00 0.00 C ATOM 427 C LEU A 28 -5.892 -8.742 7.507 1.00 0.00 C ATOM 428 O LEU A 28 -5.104 -9.627 7.843 1.00 0.00 O ATOM 429 CB LEU A 28 -4.787 -6.481 7.657 1.00 0.00 C ATOM 430 CG LEU A 28 -4.024 -7.043 8.859 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.818 -7.853 8.405 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.589 -5.917 9.785 1.00 0.00 C ATOM 0 H LEU A 28 -6.988 -6.156 6.507 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.667 -7.852 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.105 -5.861 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.576 -5.826 8.026 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.693 -7.707 9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.292 -8.242 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.151 -8.683 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.146 -7.215 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.048 -6.333 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.940 -5.230 9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.468 -5.380 10.142 1.00 0.00 H new ATOM 444 N GLU A 29 -7.191 -8.790 7.780 1.00 0.00 N ATOM 445 CA GLU A 29 -7.780 -9.892 8.530 1.00 0.00 C ATOM 446 C GLU A 29 -7.906 -11.134 7.654 1.00 0.00 C ATOM 447 O GLU A 29 -7.705 -12.257 8.116 1.00 0.00 O ATOM 448 CB GLU A 29 -9.157 -9.496 9.068 1.00 0.00 C ATOM 449 CG GLU A 29 -9.102 -8.482 10.199 1.00 0.00 C ATOM 450 CD GLU A 29 -8.456 -9.039 11.453 1.00 0.00 C ATOM 451 OE1 GLU A 29 -7.209 -9.044 11.527 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.197 -9.475 12.360 1.00 0.00 O ATOM 0 H GLU A 29 -7.859 -8.075 7.491 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.122 -10.120 9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.752 -9.085 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.672 -10.391 9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.547 -7.604 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.113 -8.150 10.433 1.00 0.00 H new ATOM 459 N SER A 30 -8.239 -10.918 6.386 1.00 0.00 N ATOM 460 CA SER A 30 -8.399 -12.012 5.435 1.00 0.00 C ATOM 461 C SER A 30 -7.076 -12.728 5.188 1.00 0.00 C ATOM 462 O SER A 30 -7.060 -13.894 4.806 1.00 0.00 O ATOM 463 CB SER A 30 -8.957 -11.483 4.112 1.00 0.00 C ATOM 464 OG SER A 30 -8.133 -10.459 3.583 1.00 0.00 O ATOM 0 H SER A 30 -8.404 -9.992 5.992 1.00 0.00 H new ATOM 0 HA SER A 30 -9.100 -12.728 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.034 -12.299 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.965 -11.099 4.267 1.00 0.00 H new ATOM 0 HG SER A 30 -8.511 -10.139 2.737 1.00 0.00 H new ATOM 470 N LEU A 31 -5.969 -12.028 5.419 1.00 0.00 N ATOM 471 CA LEU A 31 -4.641 -12.602 5.213 1.00 0.00 C ATOM 472 C LEU A 31 -4.423 -13.844 6.076 1.00 0.00 C ATOM 473 O LEU A 31 -3.414 -14.534 5.936 1.00 0.00 O ATOM 474 CB LEU A 31 -3.562 -11.560 5.520 1.00 0.00 C ATOM 475 CG LEU A 31 -3.477 -10.398 4.526 1.00 0.00 C ATOM 476 CD1 LEU A 31 -2.448 -9.378 4.985 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.136 -10.909 3.134 1.00 0.00 C ATOM 0 H LEU A 31 -5.964 -11.063 5.749 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.570 -12.903 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.744 -11.154 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.594 -12.061 5.553 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.451 -9.910 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.401 -8.560 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.733 -8.987 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.470 -9.854 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.080 -10.069 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.175 -11.422 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.909 -11.602 2.802 1.00 0.00 H new ATOM 489 N SER A 32 -5.369 -14.125 6.966 1.00 0.00 N ATOM 490 CA SER A 32 -5.270 -15.286 7.845 1.00 0.00 C ATOM 491 C SER A 32 -5.908 -16.518 7.207 1.00 0.00 C ATOM 492 O SER A 32 -6.241 -17.481 7.899 1.00 0.00 O ATOM 493 CB SER A 32 -5.942 -14.988 9.187 1.00 0.00 C ATOM 494 OG SER A 32 -7.325 -14.728 9.018 1.00 0.00 O ATOM 0 H SER A 32 -6.212 -13.566 7.098 1.00 0.00 H new ATOM 0 HA SER A 32 -4.213 -15.496 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.807 -15.834 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.462 -14.129 9.655 1.00 0.00 H new ATOM 0 HG SER A 32 -7.465 -13.765 8.906 1.00 0.00 H new ATOM 500 N ASN A 33 -6.069 -16.488 5.887 1.00 0.00 N ATOM 501 CA ASN A 33 -6.668 -17.608 5.166 1.00 0.00 C ATOM 502 C ASN A 33 -5.615 -18.637 4.759 1.00 0.00 C ATOM 503 O ASN A 33 -4.460 -18.298 4.501 1.00 0.00 O ATOM 504 CB ASN A 33 -7.425 -17.112 3.929 1.00 0.00 C ATOM 505 CG ASN A 33 -6.687 -16.028 3.165 1.00 0.00 C ATOM 506 OD1 ASN A 33 -7.307 -15.178 2.531 1.00 0.00 O ATOM 507 ND2 ASN A 33 -5.361 -16.041 3.225 1.00 0.00 N ATOM 0 H ASN A 33 -5.794 -15.703 5.296 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.373 -18.093 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.609 -17.955 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.399 -16.731 4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.821 -15.328 2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.882 -16.764 3.762 1.00 0.00 H new ATOM 514 N GLU A 34 -6.018 -19.904 4.724 1.00 0.00 N ATOM 515 CA GLU A 34 -5.116 -20.982 4.340 1.00 0.00 C ATOM 516 C GLU A 34 -4.746 -20.873 2.863 1.00 0.00 C ATOM 517 O GLU A 34 -3.690 -21.342 2.439 1.00 0.00 O ATOM 518 CB GLU A 34 -5.757 -22.341 4.623 1.00 0.00 C ATOM 519 CG GLU A 34 -6.086 -22.561 6.091 1.00 0.00 C ATOM 520 CD GLU A 34 -6.673 -23.932 6.360 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.913 -24.070 6.295 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.895 -24.869 6.636 1.00 0.00 O ATOM 0 H GLU A 34 -6.963 -20.208 4.957 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.206 -20.893 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.671 -22.432 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.083 -23.129 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.181 -22.435 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.791 -21.798 6.419 1.00 0.00 H new ATOM 529 N ASP A 35 -5.627 -20.248 2.088 1.00 0.00 N ATOM 530 CA ASP A 35 -5.403 -20.072 0.657 1.00 0.00 C ATOM 531 C ASP A 35 -4.385 -18.968 0.396 1.00 0.00 C ATOM 532 O ASP A 35 -4.108 -18.145 1.269 1.00 0.00 O ATOM 533 CB ASP A 35 -6.719 -19.736 -0.047 1.00 0.00 C ATOM 534 CG ASP A 35 -7.783 -20.793 0.171 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.506 -20.706 1.185 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.893 -21.707 -0.673 1.00 0.00 O ATOM 0 H ASP A 35 -6.504 -19.854 2.428 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.010 -21.008 0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.086 -18.776 0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.537 -19.624 -1.116 1.00 0.00 H new ATOM 541 N TRP A 36 -3.833 -18.960 -0.812 1.00 0.00 N ATOM 542 CA TRP A 36 -2.849 -17.956 -1.197 1.00 0.00 C ATOM 543 C TRP A 36 -3.428 -16.992 -2.229 1.00 0.00 C ATOM 544 O TRP A 36 -2.992 -15.845 -2.333 1.00 0.00 O ATOM 545 CB TRP A 36 -1.589 -18.629 -1.747 1.00 0.00 C ATOM 546 CG TRP A 36 -1.877 -19.818 -2.613 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.521 -19.821 -3.817 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.528 -21.180 -2.341 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.598 -21.102 -4.307 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.995 -21.952 -3.422 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.868 -21.824 -1.290 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -1.823 -23.332 -3.481 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.698 -23.194 -1.351 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.174 -23.934 -2.441 1.00 0.00 C ATOM 0 H TRP A 36 -4.051 -19.638 -1.542 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.583 -17.384 -0.308 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.019 -17.900 -2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.959 -18.940 -0.913 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.913 -18.944 -4.312 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.034 -21.375 -5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.498 -21.261 -0.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.190 -23.906 -4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.190 -23.703 -0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.025 -25.003 -2.459 1.00 0.00 H new ATOM 565 N ARG A 37 -4.415 -17.464 -2.988 1.00 0.00 N ATOM 566 CA ARG A 37 -5.057 -16.645 -4.008 1.00 0.00 C ATOM 567 C ARG A 37 -5.670 -15.394 -3.389 1.00 0.00 C ATOM 568 O ARG A 37 -5.471 -14.286 -3.887 1.00 0.00 O ATOM 569 CB ARG A 37 -6.139 -17.452 -4.728 1.00 0.00 C ATOM 570 CG ARG A 37 -6.789 -16.700 -5.875 1.00 0.00 C ATOM 571 CD ARG A 37 -7.947 -17.482 -6.474 1.00 0.00 C ATOM 572 NE ARG A 37 -8.557 -16.779 -7.600 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.848 -17.357 -8.762 1.00 0.00 C ATOM 574 NH1 ARG A 37 -8.587 -18.643 -8.951 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.402 -16.647 -9.736 1.00 0.00 N ATOM 0 H ARG A 37 -4.786 -18.411 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.298 -16.340 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.700 -18.374 -5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.907 -17.738 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.147 -15.734 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.046 -16.501 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.593 -18.458 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.700 -17.660 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.772 -15.788 -7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.162 -19.192 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.811 -19.083 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.605 -15.658 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.625 -17.091 -10.627 1.00 0.00 H new ATOM 589 N ILE A 38 -6.416 -15.579 -2.303 1.00 0.00 N ATOM 590 CA ILE A 38 -7.049 -14.459 -1.618 1.00 0.00 C ATOM 591 C ILE A 38 -6.004 -13.427 -1.213 1.00 0.00 C ATOM 592 O ILE A 38 -6.165 -12.234 -1.474 1.00 0.00 O ATOM 593 CB ILE A 38 -7.817 -14.919 -0.367 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.748 -16.090 -0.705 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.603 -13.758 0.228 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.845 -15.738 -1.690 1.00 0.00 C ATOM 0 H ILE A 38 -6.596 -16.490 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.759 -14.013 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.097 -15.263 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.154 -16.907 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.203 -16.457 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.141 -14.098 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.916 -12.959 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.315 -13.385 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.461 -16.617 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.465 -14.943 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.399 -15.400 -2.626 1.00 0.00 H new ATOM 608 N ARG A 39 -4.937 -13.894 -0.567 1.00 0.00 N ATOM 609 CA ARG A 39 -3.852 -13.010 -0.145 1.00 0.00 C ATOM 610 C ARG A 39 -3.346 -12.183 -1.321 1.00 0.00 C ATOM 611 O ARG A 39 -2.768 -11.113 -1.135 1.00 0.00 O ATOM 612 CB ARG A 39 -2.692 -13.813 0.445 1.00 0.00 C ATOM 613 CG ARG A 39 -2.952 -14.341 1.845 1.00 0.00 C ATOM 614 CD ARG A 39 -1.653 -14.697 2.550 1.00 0.00 C ATOM 615 NE ARG A 39 -1.883 -15.328 3.847 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.914 -15.595 4.719 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.341 -15.264 4.442 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.200 -16.187 5.870 1.00 0.00 N ATOM 0 H ARG A 39 -4.801 -14.875 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.248 -12.343 0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.474 -14.653 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.802 -13.184 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.490 -13.591 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.592 -15.221 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.072 -15.369 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.057 -13.795 2.688 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.839 -15.578 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.564 -14.804 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.082 -15.470 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.164 -16.439 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.456 -16.391 6.537 1.00 0.00 H new ATOM 632 N GLY A 40 -3.559 -12.691 -2.533 1.00 0.00 N ATOM 633 CA GLY A 40 -3.119 -11.985 -3.722 1.00 0.00 C ATOM 634 C GLY A 40 -3.767 -10.623 -3.860 1.00 0.00 C ATOM 635 O GLY A 40 -3.093 -9.601 -3.764 1.00 0.00 O ATOM 0 H GLY A 40 -4.028 -13.579 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.036 -11.867 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.349 -12.584 -4.603 1.00 0.00 H new ATOM 639 N ALA A 41 -5.079 -10.607 -4.081 1.00 0.00 N ATOM 640 CA ALA A 41 -5.816 -9.357 -4.229 1.00 0.00 C ATOM 641 C ALA A 41 -5.584 -8.435 -3.037 1.00 0.00 C ATOM 642 O ALA A 41 -5.399 -7.230 -3.200 1.00 0.00 O ATOM 643 CB ALA A 41 -7.302 -9.636 -4.399 1.00 0.00 C ATOM 0 H ALA A 41 -5.653 -11.446 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.447 -8.853 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.839 -8.694 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.458 -10.248 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.675 -10.167 -3.523 1.00 0.00 H new ATOM 649 N ALA A 42 -5.595 -9.012 -1.838 1.00 0.00 N ATOM 650 CA ALA A 42 -5.381 -8.241 -0.618 1.00 0.00 C ATOM 651 C ALA A 42 -4.035 -7.524 -0.663 1.00 0.00 C ATOM 652 O ALA A 42 -3.960 -6.307 -0.498 1.00 0.00 O ATOM 653 CB ALA A 42 -5.461 -9.148 0.601 1.00 0.00 C ATOM 0 H ALA A 42 -5.750 -10.009 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.166 -7.488 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.299 -8.559 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.445 -9.615 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.696 -9.921 0.530 1.00 0.00 H new ATOM 659 N ALA A 43 -2.977 -8.296 -0.887 1.00 0.00 N ATOM 660 CA ALA A 43 -1.627 -7.754 -0.976 1.00 0.00 C ATOM 661 C ALA A 43 -1.524 -6.756 -2.125 1.00 0.00 C ATOM 662 O ALA A 43 -0.803 -5.763 -2.040 1.00 0.00 O ATOM 663 CB ALA A 43 -0.636 -8.883 -1.187 1.00 0.00 C ATOM 0 H ALA A 43 -3.030 -9.307 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.397 -7.237 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.372 -8.474 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.692 -9.578 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.875 -9.409 -2.111 1.00 0.00 H new ATOM 669 N TRP A 44 -2.261 -7.036 -3.197 1.00 0.00 N ATOM 670 CA TRP A 44 -2.258 -6.191 -4.385 1.00 0.00 C ATOM 671 C TRP A 44 -2.916 -4.839 -4.120 1.00 0.00 C ATOM 672 O TRP A 44 -2.579 -3.842 -4.759 1.00 0.00 O ATOM 673 CB TRP A 44 -2.956 -6.917 -5.541 1.00 0.00 C ATOM 674 CG TRP A 44 -2.020 -7.784 -6.329 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.223 -8.776 -5.839 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.777 -7.736 -7.741 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.492 -9.342 -6.854 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.816 -8.724 -8.031 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.276 -6.957 -8.788 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.343 -8.950 -9.320 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.806 -7.183 -10.069 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.848 -8.172 -10.325 1.00 0.00 C ATOM 0 H TRP A 44 -2.873 -7.849 -3.265 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.221 -5.995 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.765 -7.530 -5.144 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.410 -6.182 -6.205 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.174 -9.074 -4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.183 -10.100 -6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.015 -6.192 -8.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.396 -9.712 -9.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.184 -6.586 -10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.501 -8.323 -11.336 1.00 0.00 H new ATOM 693 N ILE A 45 -3.851 -4.806 -3.175 1.00 0.00 N ATOM 694 CA ILE A 45 -4.540 -3.566 -2.828 1.00 0.00 C ATOM 695 C ILE A 45 -3.810 -2.846 -1.695 1.00 0.00 C ATOM 696 O ILE A 45 -3.956 -1.636 -1.516 1.00 0.00 O ATOM 697 CB ILE A 45 -6.008 -3.832 -2.420 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.794 -4.412 -3.601 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.672 -2.556 -1.914 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.867 -3.489 -4.803 1.00 0.00 C ATOM 0 H ILE A 45 -4.149 -5.620 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.540 -2.931 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.009 -4.560 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.334 -5.352 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.807 -4.645 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.703 -2.769 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.129 -2.183 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.659 -1.802 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.439 -3.970 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.355 -2.557 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.859 -3.276 -5.160 1.00 0.00 H new ATOM 712 N ILE A 46 -3.016 -3.600 -0.941 1.00 0.00 N ATOM 713 CA ILE A 46 -2.253 -3.045 0.174 1.00 0.00 C ATOM 714 C ILE A 46 -1.365 -1.886 -0.284 1.00 0.00 C ATOM 715 O ILE A 46 -1.167 -0.918 0.451 1.00 0.00 O ATOM 716 CB ILE A 46 -1.388 -4.141 0.849 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.198 -4.876 1.923 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.117 -3.555 1.448 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.474 -4.045 3.160 1.00 0.00 C ATOM 0 H ILE A 46 -2.883 -4.601 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.968 -2.663 0.903 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.095 -4.856 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.147 -5.196 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.661 -5.778 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.466 -4.350 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.473 -3.085 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.379 -2.810 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.051 -4.634 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.530 -3.747 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.040 -3.156 2.882 1.00 0.00 H new ATOM 731 N GLY A 47 -0.838 -1.989 -1.502 1.00 0.00 N ATOM 732 CA GLY A 47 0.028 -0.947 -2.031 1.00 0.00 C ATOM 733 C GLY A 47 -0.645 0.406 -2.094 1.00 0.00 C ATOM 734 O GLY A 47 0.020 1.440 -2.012 1.00 0.00 O ATOM 0 H GLY A 47 -0.995 -2.775 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.921 -0.874 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.358 -1.229 -3.031 1.00 0.00 H new ATOM 738 N ASN A 48 -1.964 0.404 -2.244 1.00 0.00 N ATOM 739 CA ASN A 48 -2.724 1.645 -2.314 1.00 0.00 C ATOM 740 C ASN A 48 -2.446 2.503 -1.088 1.00 0.00 C ATOM 741 O ASN A 48 -2.114 3.682 -1.204 1.00 0.00 O ATOM 742 CB ASN A 48 -4.221 1.352 -2.406 1.00 0.00 C ATOM 743 CG ASN A 48 -4.606 0.558 -3.647 1.00 0.00 C ATOM 744 OD1 ASN A 48 -5.720 0.691 -4.154 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.693 -0.272 -4.147 1.00 0.00 N ATOM 0 H ASN A 48 -2.529 -0.442 -2.319 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.414 2.186 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.531 0.799 -1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.769 2.294 -2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.906 -0.824 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.780 -0.356 -3.699 1.00 0.00 H new ATOM 752 N PHE A 49 -2.586 1.899 0.088 1.00 0.00 N ATOM 753 CA PHE A 49 -2.345 2.601 1.338 1.00 0.00 C ATOM 754 C PHE A 49 -0.862 2.591 1.685 1.00 0.00 C ATOM 755 O PHE A 49 -0.274 1.537 1.923 1.00 0.00 O ATOM 756 CB PHE A 49 -3.146 1.963 2.473 1.00 0.00 C ATOM 757 CG PHE A 49 -4.595 1.740 2.145 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.459 2.813 1.987 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.094 0.456 1.996 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.791 2.608 1.686 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.425 0.246 1.695 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.275 1.322 1.540 1.00 0.00 C ATOM 0 H PHE A 49 -2.865 0.924 0.199 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.669 3.634 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.691 1.007 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.077 2.599 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.086 3.820 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.434 -0.390 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.454 3.452 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.801 -0.760 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.316 1.159 1.305 1.00 0.00 H new ATOM 772 N GLN A 50 -0.264 3.773 1.704 1.00 0.00 N ATOM 773 CA GLN A 50 1.153 3.914 2.032 1.00 0.00 C ATOM 774 C GLN A 50 1.340 3.955 3.545 1.00 0.00 C ATOM 775 O GLN A 50 2.321 4.503 4.049 1.00 0.00 O ATOM 776 CB GLN A 50 1.720 5.189 1.406 1.00 0.00 C ATOM 777 CG GLN A 50 1.212 5.443 0.001 1.00 0.00 C ATOM 778 CD GLN A 50 2.128 6.347 -0.804 1.00 0.00 C ATOM 779 OE1 GLN A 50 2.232 6.216 -2.023 1.00 0.00 O ATOM 780 NE2 GLN A 50 2.795 7.275 -0.126 1.00 0.00 N ATOM 0 H GLN A 50 -0.737 4.653 1.496 1.00 0.00 H new ATOM 0 HA GLN A 50 1.689 3.055 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.464 6.040 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.808 5.123 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.102 4.491 -0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.221 5.893 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.680 7.350 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.422 7.913 -0.616 1.00 0.00 H new ATOM 789 N ASP A 51 0.393 3.360 4.257 1.00 0.00 N ATOM 790 CA ASP A 51 0.427 3.328 5.715 1.00 0.00 C ATOM 791 C ASP A 51 1.295 2.182 6.226 1.00 0.00 C ATOM 792 O ASP A 51 1.597 1.242 5.490 1.00 0.00 O ATOM 793 CB ASP A 51 -0.991 3.194 6.269 1.00 0.00 C ATOM 794 CG ASP A 51 -1.830 4.431 6.018 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.417 4.540 4.921 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.900 5.293 6.921 1.00 0.00 O ATOM 0 H ASP A 51 -0.414 2.890 3.847 1.00 0.00 H new ATOM 0 HA ASP A 51 0.865 4.264 6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.476 2.331 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.943 3.003 7.341 1.00 0.00 H new ATOM 801 N GLU A 52 1.690 2.269 7.495 1.00 0.00 N ATOM 802 CA GLU A 52 2.532 1.250 8.115 1.00 0.00 C ATOM 803 C GLU A 52 1.844 -0.111 8.134 1.00 0.00 C ATOM 804 O GLU A 52 2.491 -1.143 7.957 1.00 0.00 O ATOM 805 CB GLU A 52 2.915 1.660 9.541 1.00 0.00 C ATOM 806 CG GLU A 52 1.732 1.775 10.493 1.00 0.00 C ATOM 807 CD GLU A 52 0.854 2.975 10.195 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.193 4.086 10.652 1.00 0.00 O ATOM 809 OE2 GLU A 52 -0.173 2.803 9.506 1.00 0.00 O ATOM 0 H GLU A 52 1.439 3.039 8.115 1.00 0.00 H new ATOM 0 HA GLU A 52 3.436 1.165 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.620 0.931 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.434 2.618 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.132 0.867 10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.100 1.845 11.517 1.00 0.00 H new ATOM 816 N ARG A 53 0.531 -0.114 8.352 1.00 0.00 N ATOM 817 CA ARG A 53 -0.228 -1.360 8.387 1.00 0.00 C ATOM 818 C ARG A 53 -0.198 -2.039 7.020 1.00 0.00 C ATOM 819 O ARG A 53 -0.595 -3.195 6.878 1.00 0.00 O ATOM 820 CB ARG A 53 -1.675 -1.099 8.822 1.00 0.00 C ATOM 821 CG ARG A 53 -2.446 -2.366 9.164 1.00 0.00 C ATOM 822 CD ARG A 53 -3.692 -2.062 9.984 1.00 0.00 C ATOM 823 NE ARG A 53 -4.534 -1.047 9.356 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.672 -0.602 9.884 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.105 -1.084 11.041 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.378 0.327 9.254 1.00 0.00 N ATOM 0 H ARG A 53 -0.026 0.727 8.506 1.00 0.00 H new ATOM 0 HA ARG A 53 0.235 -2.024 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.671 -0.440 9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.196 -0.571 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.731 -2.878 8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.801 -3.046 9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.269 -2.977 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.397 -1.723 10.977 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.233 -0.657 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.565 -1.798 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.978 -0.740 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.049 0.701 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.250 0.667 9.659 1.00 0.00 H new ATOM 840 N ALA A 54 0.279 -1.305 6.018 1.00 0.00 N ATOM 841 CA ALA A 54 0.369 -1.819 4.658 1.00 0.00 C ATOM 842 C ALA A 54 1.815 -2.132 4.295 1.00 0.00 C ATOM 843 O ALA A 54 2.091 -2.757 3.273 1.00 0.00 O ATOM 844 CB ALA A 54 -0.220 -0.816 3.679 1.00 0.00 C ATOM 0 H ALA A 54 0.611 -0.346 6.126 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.204 -2.744 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.147 -1.211 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.267 -0.639 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.331 0.122 3.743 1.00 0.00 H new ATOM 850 N VAL A 55 2.732 -1.687 5.144 1.00 0.00 N ATOM 851 CA VAL A 55 4.155 -1.900 4.920 1.00 0.00 C ATOM 852 C VAL A 55 4.581 -3.314 5.308 1.00 0.00 C ATOM 853 O VAL A 55 5.318 -3.970 4.573 1.00 0.00 O ATOM 854 CB VAL A 55 4.991 -0.877 5.713 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.476 -1.142 5.544 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.647 0.540 5.279 1.00 0.00 C ATOM 0 H VAL A 55 2.514 -1.174 5.998 1.00 0.00 H new ATOM 0 HA VAL A 55 4.335 -1.766 3.853 1.00 0.00 H new ATOM 0 HB VAL A 55 4.748 -0.985 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.044 -0.406 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.711 -2.142 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.741 -1.068 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.246 1.251 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.859 0.657 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.589 0.730 5.461 1.00 0.00 H new ATOM 866 N GLU A 56 4.109 -3.779 6.460 1.00 0.00 N ATOM 867 CA GLU A 56 4.450 -5.112 6.947 1.00 0.00 C ATOM 868 C GLU A 56 4.053 -6.197 5.939 1.00 0.00 C ATOM 869 O GLU A 56 4.875 -7.047 5.596 1.00 0.00 O ATOM 870 CB GLU A 56 3.788 -5.371 8.304 1.00 0.00 C ATOM 871 CG GLU A 56 4.034 -6.770 8.844 1.00 0.00 C ATOM 872 CD GLU A 56 2.851 -7.695 8.626 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.733 -8.258 7.519 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.043 -7.855 9.566 1.00 0.00 O ATOM 0 H GLU A 56 3.489 -3.252 7.075 1.00 0.00 H new ATOM 0 HA GLU A 56 5.532 -5.155 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.159 -4.642 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.714 -5.210 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.915 -7.192 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.253 -6.711 9.910 1.00 0.00 H new ATOM 881 N PRO A 57 2.791 -6.195 5.453 1.00 0.00 N ATOM 882 CA PRO A 57 2.326 -7.185 4.477 1.00 0.00 C ATOM 883 C PRO A 57 3.326 -7.398 3.352 1.00 0.00 C ATOM 884 O PRO A 57 3.718 -8.526 3.061 1.00 0.00 O ATOM 885 CB PRO A 57 1.043 -6.565 3.935 1.00 0.00 C ATOM 886 CG PRO A 57 0.519 -5.739 5.057 1.00 0.00 C ATOM 887 CD PRO A 57 1.721 -5.237 5.811 1.00 0.00 C ATOM 0 HA PRO A 57 2.187 -8.169 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.240 -5.956 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.327 -7.332 3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.079 -4.909 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.128 -6.330 5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.981 -4.220 5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.541 -5.222 6.886 1.00 0.00 H new ATOM 895 N LEU A 58 3.750 -6.302 2.736 1.00 0.00 N ATOM 896 CA LEU A 58 4.699 -6.358 1.634 1.00 0.00 C ATOM 897 C LEU A 58 6.023 -6.986 2.067 1.00 0.00 C ATOM 898 O LEU A 58 6.658 -7.700 1.293 1.00 0.00 O ATOM 899 CB LEU A 58 4.941 -4.952 1.080 1.00 0.00 C ATOM 900 CG LEU A 58 3.676 -4.115 0.869 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.011 -2.798 0.188 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.650 -4.890 0.057 1.00 0.00 C ATOM 0 H LEU A 58 3.449 -5.359 2.983 1.00 0.00 H new ATOM 0 HA LEU A 58 4.270 -6.986 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.603 -4.418 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.465 -5.038 0.128 1.00 0.00 H new ATOM 0 HG LEU A 58 3.246 -3.895 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.098 -2.219 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.707 -2.234 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.468 -2.996 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.759 -4.278 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.072 -5.143 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.383 -5.805 0.586 1.00 0.00 H new ATOM 914 N ILE A 59 6.430 -6.722 3.305 1.00 0.00 N ATOM 915 CA ILE A 59 7.684 -7.262 3.823 1.00 0.00 C ATOM 916 C ILE A 59 7.660 -8.788 3.874 1.00 0.00 C ATOM 917 O ILE A 59 8.484 -9.451 3.244 1.00 0.00 O ATOM 918 CB ILE A 59 7.999 -6.713 5.232 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.209 -5.196 5.184 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.224 -7.405 5.817 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.349 -4.760 4.285 1.00 0.00 C ATOM 0 H ILE A 59 5.914 -6.141 3.965 1.00 0.00 H new ATOM 0 HA ILE A 59 8.466 -6.942 3.134 1.00 0.00 H new ATOM 0 HB ILE A 59 7.147 -6.922 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.289 -4.723 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.397 -4.833 6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.429 -7.004 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.037 -8.476 5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.084 -7.230 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.433 -3.673 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.280 -5.203 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.154 -5.090 3.265 1.00 0.00 H new ATOM 933 N LYS A 60 6.715 -9.336 4.628 1.00 0.00 N ATOM 934 CA LYS A 60 6.595 -10.785 4.771 1.00 0.00 C ATOM 935 C LYS A 60 6.109 -11.442 3.479 1.00 0.00 C ATOM 936 O LYS A 60 6.037 -12.668 3.385 1.00 0.00 O ATOM 937 CB LYS A 60 5.662 -11.131 5.938 1.00 0.00 C ATOM 938 CG LYS A 60 4.390 -10.295 5.992 1.00 0.00 C ATOM 939 CD LYS A 60 3.220 -11.009 5.337 1.00 0.00 C ATOM 940 CE LYS A 60 2.512 -11.941 6.309 1.00 0.00 C ATOM 941 NZ LYS A 60 3.434 -12.963 6.877 1.00 0.00 N ATOM 0 H LYS A 60 6.021 -8.801 5.150 1.00 0.00 H new ATOM 0 HA LYS A 60 7.588 -11.181 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.388 -12.184 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.207 -11.004 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.145 -10.072 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.560 -9.341 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.511 -10.273 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.576 -11.580 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.076 -11.356 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.689 -12.440 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.892 -13.638 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.908 -13.471 6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.147 -12.495 7.472 1.00 0.00 H new ATOM 955 N LEU A 61 5.778 -10.622 2.486 1.00 0.00 N ATOM 956 CA LEU A 61 5.285 -11.122 1.202 1.00 0.00 C ATOM 957 C LEU A 61 6.412 -11.387 0.204 1.00 0.00 C ATOM 958 O LEU A 61 6.415 -12.412 -0.477 1.00 0.00 O ATOM 959 CB LEU A 61 4.297 -10.121 0.607 1.00 0.00 C ATOM 960 CG LEU A 61 2.812 -10.465 0.759 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.530 -11.157 2.086 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.972 -9.206 0.638 1.00 0.00 C ATOM 0 H LEU A 61 5.842 -9.606 2.544 1.00 0.00 H new ATOM 0 HA LEU A 61 4.791 -12.075 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.473 -9.150 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.517 -10.013 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 61 2.545 -11.157 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.467 -11.386 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.105 -12.081 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.816 -10.500 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.918 -9.460 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.258 -8.501 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.136 -8.752 -0.339 1.00 0.00 H new ATOM 974 N LEU A 62 7.359 -10.456 0.110 1.00 0.00 N ATOM 975 CA LEU A 62 8.479 -10.588 -0.817 1.00 0.00 C ATOM 976 C LEU A 62 9.254 -11.878 -0.573 1.00 0.00 C ATOM 977 O LEU A 62 10.040 -12.311 -1.414 1.00 0.00 O ATOM 978 CB LEU A 62 9.412 -9.386 -0.676 1.00 0.00 C ATOM 979 CG LEU A 62 8.747 -8.026 -0.893 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.397 -6.971 -0.011 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.825 -7.621 -2.357 1.00 0.00 C ATOM 0 H LEU A 62 7.372 -9.601 0.666 1.00 0.00 H new ATOM 0 HA LEU A 62 8.078 -10.623 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.855 -9.403 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.229 -9.493 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 62 7.696 -8.107 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.912 -6.009 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.290 -7.255 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.456 -6.892 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.347 -6.651 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.870 -7.556 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.315 -8.365 -2.968 1.00 0.00 H new ATOM 993 N GLU A 63 9.028 -12.486 0.583 1.00 0.00 N ATOM 994 CA GLU A 63 9.703 -13.720 0.947 1.00 0.00 C ATOM 995 C GLU A 63 8.735 -14.903 0.968 1.00 0.00 C ATOM 996 O GLU A 63 9.153 -16.056 1.086 1.00 0.00 O ATOM 997 CB GLU A 63 10.359 -13.554 2.315 1.00 0.00 C ATOM 998 CG GLU A 63 11.817 -13.138 2.246 1.00 0.00 C ATOM 999 CD GLU A 63 12.011 -11.808 1.546 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.695 -10.765 2.156 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.482 -11.809 0.389 1.00 0.00 O ATOM 0 H GLU A 63 8.377 -12.140 1.288 1.00 0.00 H new ATOM 0 HA GLU A 63 10.464 -13.930 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.805 -12.809 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.284 -14.495 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.221 -13.075 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.386 -13.906 1.722 1.00 0.00 H new ATOM 1008 N ASP A 64 7.442 -14.610 0.852 1.00 0.00 N ATOM 1009 CA ASP A 64 6.414 -15.649 0.865 1.00 0.00 C ATOM 1010 C ASP A 64 6.600 -16.622 -0.290 1.00 0.00 C ATOM 1011 O ASP A 64 6.312 -17.813 -0.171 1.00 0.00 O ATOM 1012 CB ASP A 64 5.021 -15.026 0.811 1.00 0.00 C ATOM 1013 CG ASP A 64 3.949 -15.966 1.323 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.778 -17.052 0.729 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.285 -15.622 2.323 1.00 0.00 O ATOM 0 H ASP A 64 7.081 -13.662 0.748 1.00 0.00 H new ATOM 0 HA ASP A 64 6.515 -16.205 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.012 -14.111 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.792 -14.743 -0.216 1.00 0.00 H new ATOM 1020 N ASP A 65 7.083 -16.097 -1.401 1.00 0.00 N ATOM 1021 CA ASP A 65 7.327 -16.896 -2.598 1.00 0.00 C ATOM 1022 C ASP A 65 6.073 -17.654 -3.037 1.00 0.00 C ATOM 1023 O ASP A 65 6.163 -18.722 -3.642 1.00 0.00 O ATOM 1024 CB ASP A 65 8.474 -17.879 -2.343 1.00 0.00 C ATOM 1025 CG ASP A 65 8.988 -18.519 -3.619 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.757 -17.857 -4.347 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.625 -19.684 -3.888 1.00 0.00 O ATOM 0 H ASP A 65 7.318 -15.110 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 65 7.602 -16.216 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.292 -17.356 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.135 -18.659 -1.661 1.00 0.00 H new ATOM 1032 N SER A 66 4.902 -17.096 -2.739 1.00 0.00 N ATOM 1033 CA SER A 66 3.642 -17.736 -3.114 1.00 0.00 C ATOM 1034 C SER A 66 3.236 -17.374 -4.542 1.00 0.00 C ATOM 1035 O SER A 66 2.316 -17.970 -5.103 1.00 0.00 O ATOM 1036 CB SER A 66 2.529 -17.332 -2.149 1.00 0.00 C ATOM 1037 OG SER A 66 1.313 -17.981 -2.473 1.00 0.00 O ATOM 0 H SER A 66 4.798 -16.210 -2.244 1.00 0.00 H new ATOM 0 HA SER A 66 3.794 -18.814 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.819 -17.584 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.388 -16.252 -2.183 1.00 0.00 H new ATOM 0 HG SER A 66 1.334 -18.266 -3.411 1.00 0.00 H new ATOM 1043 N GLY A 67 3.924 -16.397 -5.125 1.00 0.00 N ATOM 1044 CA GLY A 67 3.607 -15.971 -6.477 1.00 0.00 C ATOM 1045 C GLY A 67 2.689 -14.764 -6.491 1.00 0.00 C ATOM 1046 O GLY A 67 3.149 -13.631 -6.602 1.00 0.00 O ATOM 0 H GLY A 67 4.695 -15.893 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.529 -15.732 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.134 -16.793 -7.015 1.00 0.00 H new ATOM 1050 N PHE A 68 1.387 -15.007 -6.384 1.00 0.00 N ATOM 1051 CA PHE A 68 0.407 -13.926 -6.366 1.00 0.00 C ATOM 1052 C PHE A 68 0.629 -13.058 -5.132 1.00 0.00 C ATOM 1053 O PHE A 68 0.566 -11.830 -5.196 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.012 -14.507 -6.345 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.102 -13.587 -6.847 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.916 -12.210 -6.965 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.334 -14.118 -7.194 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.940 -11.398 -7.420 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.356 -13.309 -7.649 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.160 -11.949 -7.762 1.00 0.00 C ATOM 0 H PHE A 68 0.986 -15.942 -6.308 1.00 0.00 H new ATOM 0 HA PHE A 68 0.527 -13.317 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.022 -15.416 -6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.251 -14.800 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.965 -11.774 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.497 -15.182 -7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.785 -10.333 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.309 -13.741 -7.916 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.959 -11.315 -8.117 1.00 0.00 H new ATOM 1070 N VAL A 69 0.899 -13.717 -4.009 1.00 0.00 N ATOM 1071 CA VAL A 69 1.137 -13.027 -2.748 1.00 0.00 C ATOM 1072 C VAL A 69 2.490 -12.318 -2.755 1.00 0.00 C ATOM 1073 O VAL A 69 2.600 -11.173 -2.313 1.00 0.00 O ATOM 1074 CB VAL A 69 1.083 -14.007 -1.560 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.973 -13.254 -0.245 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.072 -14.983 -1.722 1.00 0.00 C ATOM 0 H VAL A 69 0.958 -14.733 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 69 0.347 -12.285 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 69 2.012 -14.578 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.936 -13.966 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.839 -12.603 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.064 -12.652 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.093 -15.666 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.011 -14.431 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.059 -15.552 -2.643 1.00 0.00 H new ATOM 1086 N ARG A 70 3.518 -13.000 -3.260 1.00 0.00 N ATOM 1087 CA ARG A 70 4.862 -12.428 -3.316 1.00 0.00 C ATOM 1088 C ARG A 70 4.933 -11.296 -4.336 1.00 0.00 C ATOM 1089 O ARG A 70 5.188 -10.145 -3.981 1.00 0.00 O ATOM 1090 CB ARG A 70 5.889 -13.503 -3.676 1.00 0.00 C ATOM 1091 CG ARG A 70 7.326 -13.086 -3.398 1.00 0.00 C ATOM 1092 CD ARG A 70 8.315 -13.924 -4.193 1.00 0.00 C ATOM 1093 NE ARG A 70 9.527 -14.211 -3.429 1.00 0.00 N ATOM 1094 CZ ARG A 70 10.574 -14.866 -3.925 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.559 -15.298 -5.179 1.00 0.00 N ATOM 1096 NH2 ARG A 70 11.637 -15.090 -3.164 1.00 0.00 N ATOM 0 H ARG A 70 3.446 -13.946 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 70 5.092 -12.027 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.667 -14.410 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.789 -13.751 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.455 -12.033 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.536 -13.187 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.842 -14.861 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.580 -13.398 -5.110 1.00 0.00 H new ATOM 0 HE ARG A 70 9.573 -13.891 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.743 -15.129 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.364 -15.800 -5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.652 -14.760 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.440 -15.592 -3.544 1.00 0.00 H new ATOM 1110 N SER A 71 4.709 -11.633 -5.605 1.00 0.00 N ATOM 1111 CA SER A 71 4.741 -10.646 -6.682 1.00 0.00 C ATOM 1112 C SER A 71 3.833 -9.466 -6.362 1.00 0.00 C ATOM 1113 O SER A 71 4.016 -8.369 -6.889 1.00 0.00 O ATOM 1114 CB SER A 71 4.319 -11.284 -8.007 1.00 0.00 C ATOM 1115 OG SER A 71 5.224 -12.304 -8.394 1.00 0.00 O ATOM 0 H SER A 71 4.503 -12.584 -5.912 1.00 0.00 H new ATOM 0 HA SER A 71 5.764 -10.282 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.316 -11.701 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.273 -10.520 -8.783 1.00 0.00 H new ATOM 0 HG SER A 71 4.951 -13.154 -7.990 1.00 0.00 H new ATOM 1121 N GLY A 72 2.854 -9.701 -5.496 1.00 0.00 N ATOM 1122 CA GLY A 72 1.937 -8.648 -5.112 1.00 0.00 C ATOM 1123 C GLY A 72 2.622 -7.556 -4.319 1.00 0.00 C ATOM 1124 O GLY A 72 2.305 -6.377 -4.470 1.00 0.00 O ATOM 0 H GLY A 72 2.680 -10.603 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.486 -8.217 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.127 -9.072 -4.519 1.00 0.00 H new ATOM 1128 N ALA A 73 3.560 -7.954 -3.467 1.00 0.00 N ATOM 1129 CA ALA A 73 4.302 -7.004 -2.652 1.00 0.00 C ATOM 1130 C ALA A 73 5.244 -6.170 -3.508 1.00 0.00 C ATOM 1131 O ALA A 73 5.292 -4.948 -3.379 1.00 0.00 O ATOM 1132 CB ALA A 73 5.082 -7.729 -1.571 1.00 0.00 C ATOM 0 H ALA A 73 3.824 -8.929 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 73 3.584 -6.333 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.631 -7.004 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.392 -8.281 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.784 -8.424 -2.033 1.00 0.00 H new ATOM 1138 N ALA A 74 5.996 -6.837 -4.381 1.00 0.00 N ATOM 1139 CA ALA A 74 6.927 -6.145 -5.259 1.00 0.00 C ATOM 1140 C ALA A 74 6.181 -5.126 -6.110 1.00 0.00 C ATOM 1141 O ALA A 74 6.749 -4.128 -6.555 1.00 0.00 O ATOM 1142 CB ALA A 74 7.667 -7.140 -6.140 1.00 0.00 C ATOM 0 H ALA A 74 5.977 -7.850 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 74 7.661 -5.619 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.359 -6.605 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.223 -7.837 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.950 -7.691 -6.748 1.00 0.00 H new ATOM 1148 N ARG A 75 4.899 -5.397 -6.328 1.00 0.00 N ATOM 1149 CA ARG A 75 4.041 -4.519 -7.114 1.00 0.00 C ATOM 1150 C ARG A 75 3.512 -3.377 -6.250 1.00 0.00 C ATOM 1151 O ARG A 75 3.441 -2.229 -6.690 1.00 0.00 O ATOM 1152 CB ARG A 75 2.869 -5.318 -7.694 1.00 0.00 C ATOM 1153 CG ARG A 75 1.871 -4.475 -8.471 1.00 0.00 C ATOM 1154 CD ARG A 75 0.437 -4.908 -8.193 1.00 0.00 C ATOM 1155 NE ARG A 75 -0.505 -4.299 -9.130 1.00 0.00 N ATOM 1156 CZ ARG A 75 -1.671 -3.771 -8.767 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -2.036 -3.772 -7.492 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -2.473 -3.240 -9.679 1.00 0.00 N ATOM 0 H ARG A 75 4.428 -6.226 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 75 4.628 -4.097 -7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.262 -6.095 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.348 -5.822 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.993 -3.426 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.077 -4.558 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.366 -5.994 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.165 -4.633 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.254 -4.278 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.422 -4.178 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.931 -3.366 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.197 -3.236 -10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.367 -2.836 -9.399 1.00 0.00 H new ATOM 1172 N SER A 76 3.150 -3.708 -5.016 1.00 0.00 N ATOM 1173 CA SER A 76 2.616 -2.729 -4.076 1.00 0.00 C ATOM 1174 C SER A 76 3.669 -1.700 -3.675 1.00 0.00 C ATOM 1175 O SER A 76 3.349 -0.539 -3.422 1.00 0.00 O ATOM 1176 CB SER A 76 2.087 -3.440 -2.835 1.00 0.00 C ATOM 1177 OG SER A 76 0.954 -4.232 -3.144 1.00 0.00 O ATOM 0 H SER A 76 3.217 -4.654 -4.641 1.00 0.00 H new ATOM 0 HA SER A 76 1.803 -2.198 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.870 -4.069 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.824 -2.704 -2.075 1.00 0.00 H new ATOM 0 HG SER A 76 0.555 -4.570 -2.315 1.00 0.00 H new ATOM 1183 N LEU A 77 4.923 -2.131 -3.607 1.00 0.00 N ATOM 1184 CA LEU A 77 6.015 -1.236 -3.234 1.00 0.00 C ATOM 1185 C LEU A 77 6.204 -0.152 -4.285 1.00 0.00 C ATOM 1186 O LEU A 77 6.099 1.038 -3.987 1.00 0.00 O ATOM 1187 CB LEU A 77 7.309 -2.024 -3.046 1.00 0.00 C ATOM 1188 CG LEU A 77 7.309 -2.981 -1.855 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.577 -3.811 -1.848 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.176 -2.212 -0.550 1.00 0.00 C ATOM 0 H LEU A 77 5.210 -3.090 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 77 5.758 -0.758 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.505 -2.595 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.133 -1.320 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 77 6.453 -3.649 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.564 -4.488 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.638 -4.390 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.443 -3.152 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.178 -2.911 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.013 -1.522 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.241 -1.651 -0.552 1.00 0.00 H new ATOM 1202 N GLU A 78 6.491 -0.568 -5.515 1.00 0.00 N ATOM 1203 CA GLU A 78 6.664 0.372 -6.615 1.00 0.00 C ATOM 1204 C GLU A 78 5.470 1.317 -6.687 1.00 0.00 C ATOM 1205 O GLU A 78 5.563 2.421 -7.223 1.00 0.00 O ATOM 1206 CB GLU A 78 6.822 -0.384 -7.937 1.00 0.00 C ATOM 1207 CG GLU A 78 7.121 0.517 -9.123 1.00 0.00 C ATOM 1208 CD GLU A 78 7.268 -0.257 -10.418 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.362 -0.811 -10.658 1.00 0.00 O ATOM 1210 OE2 GLU A 78 6.290 -0.310 -11.192 1.00 0.00 O ATOM 0 H GLU A 78 6.608 -1.548 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 78 7.566 0.958 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.625 -1.114 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.908 -0.943 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.320 1.249 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.038 1.074 -8.930 1.00 0.00 H new ATOM 1217 N GLN A 79 4.347 0.865 -6.136 1.00 0.00 N ATOM 1218 CA GLN A 79 3.124 1.656 -6.107 1.00 0.00 C ATOM 1219 C GLN A 79 3.302 2.857 -5.185 1.00 0.00 C ATOM 1220 O GLN A 79 2.976 3.988 -5.547 1.00 0.00 O ATOM 1221 CB GLN A 79 1.961 0.791 -5.622 1.00 0.00 C ATOM 1222 CG GLN A 79 0.666 1.000 -6.388 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.383 -0.039 -6.037 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.583 0.229 -6.094 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.068 -1.235 -5.671 1.00 0.00 N ATOM 0 H GLN A 79 4.261 -0.053 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 79 2.906 2.014 -7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.248 -0.258 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.783 1.000 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.276 1.995 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.869 0.962 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.072 -1.413 -5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.590 -1.974 -5.423 1.00 0.00 H new ATOM 1234 N ILE A 80 3.822 2.595 -3.985 1.00 0.00 N ATOM 1235 CA ILE A 80 4.062 3.645 -3.005 1.00 0.00 C ATOM 1236 C ILE A 80 4.999 4.709 -3.572 1.00 0.00 C ATOM 1237 O ILE A 80 4.631 5.879 -3.681 1.00 0.00 O ATOM 1238 CB ILE A 80 4.668 3.067 -1.706 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.716 2.038 -1.089 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.961 4.185 -0.714 1.00 0.00 C ATOM 1241 CD1 ILE A 80 4.294 1.320 0.113 1.00 0.00 C ATOM 0 H ILE A 80 4.084 1.660 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 80 3.100 4.101 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 80 5.606 2.569 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.795 2.540 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.449 1.302 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.387 3.762 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.670 4.886 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.036 4.708 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.564 0.607 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.200 0.789 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.535 2.046 0.889 1.00 0.00 H new ATOM 1253 N GLY A 81 6.210 4.290 -3.937 1.00 0.00 N ATOM 1254 CA GLY A 81 7.186 5.211 -4.498 1.00 0.00 C ATOM 1255 C GLY A 81 7.563 6.330 -3.546 1.00 0.00 C ATOM 1256 O GLY A 81 6.777 7.248 -3.313 1.00 0.00 O ATOM 0 H GLY A 81 6.533 3.326 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.084 4.657 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.785 5.642 -5.415 1.00 0.00 H new ATOM 1260 N GLY A 82 8.773 6.257 -2.999 1.00 0.00 N ATOM 1261 CA GLY A 82 9.233 7.280 -2.078 1.00 0.00 C ATOM 1262 C GLY A 82 10.303 6.774 -1.132 1.00 0.00 C ATOM 1263 O GLY A 82 10.756 5.634 -1.245 1.00 0.00 O ATOM 0 H GLY A 82 9.442 5.508 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.624 8.125 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.387 7.650 -1.499 1.00 0.00 H new ATOM 1267 N GLU A 83 10.709 7.626 -0.196 1.00 0.00 N ATOM 1268 CA GLU A 83 11.730 7.264 0.779 1.00 0.00 C ATOM 1269 C GLU A 83 11.183 6.257 1.785 1.00 0.00 C ATOM 1270 O GLU A 83 11.933 5.466 2.358 1.00 0.00 O ATOM 1271 CB GLU A 83 12.228 8.513 1.512 1.00 0.00 C ATOM 1272 CG GLU A 83 13.337 8.231 2.512 1.00 0.00 C ATOM 1273 CD GLU A 83 13.820 9.485 3.215 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.154 9.920 4.178 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.863 10.032 2.801 1.00 0.00 O ATOM 0 H GLU A 83 10.345 8.573 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 83 12.563 6.806 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.587 9.235 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.390 8.977 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.979 7.518 3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.175 7.762 1.997 1.00 0.00 H new ATOM 1282 N ARG A 84 9.870 6.291 1.993 1.00 0.00 N ATOM 1283 CA ARG A 84 9.222 5.386 2.933 1.00 0.00 C ATOM 1284 C ARG A 84 9.259 3.947 2.425 1.00 0.00 C ATOM 1285 O ARG A 84 9.646 3.033 3.153 1.00 0.00 O ATOM 1286 CB ARG A 84 7.775 5.830 3.212 1.00 0.00 C ATOM 1287 CG ARG A 84 6.833 5.748 2.012 1.00 0.00 C ATOM 1288 CD ARG A 84 6.936 6.978 1.122 1.00 0.00 C ATOM 1289 NE ARG A 84 6.759 8.215 1.878 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.920 9.429 1.357 1.00 0.00 C ATOM 1291 NH1 ARG A 84 7.253 9.568 0.081 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.747 10.505 2.113 1.00 0.00 N ATOM 0 H ARG A 84 9.235 6.936 1.523 1.00 0.00 H new ATOM 0 HA ARG A 84 9.776 5.425 3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.370 5.215 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.789 6.858 3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.066 4.857 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.807 5.639 2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.909 6.989 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.182 6.922 0.337 1.00 0.00 H new ATOM 0 HE ARG A 84 6.497 8.144 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.386 8.743 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.376 10.500 -0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.490 10.403 3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.871 11.435 1.713 1.00 0.00 H new ATOM 1306 N VAL A 85 8.855 3.753 1.177 1.00 0.00 N ATOM 1307 CA VAL A 85 8.847 2.431 0.569 1.00 0.00 C ATOM 1308 C VAL A 85 10.266 1.950 0.303 1.00 0.00 C ATOM 1309 O VAL A 85 10.538 0.750 0.268 1.00 0.00 O ATOM 1310 CB VAL A 85 8.066 2.442 -0.755 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.780 3.285 -1.800 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.841 1.026 -1.259 1.00 0.00 C ATOM 0 H VAL A 85 8.527 4.499 0.564 1.00 0.00 H new ATOM 0 HA VAL A 85 8.360 1.752 1.269 1.00 0.00 H new ATOM 0 HB VAL A 85 7.091 2.894 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.207 3.277 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.872 4.310 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.773 2.874 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.287 1.057 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.803 0.541 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.272 0.463 -0.520 1.00 0.00 H new ATOM 1322 N ARG A 86 11.162 2.909 0.118 1.00 0.00 N ATOM 1323 CA ARG A 86 12.565 2.615 -0.166 1.00 0.00 C ATOM 1324 C ARG A 86 13.200 1.785 0.947 1.00 0.00 C ATOM 1325 O ARG A 86 14.175 1.070 0.716 1.00 0.00 O ATOM 1326 CB ARG A 86 13.350 3.914 -0.359 1.00 0.00 C ATOM 1327 CG ARG A 86 14.769 3.700 -0.859 1.00 0.00 C ATOM 1328 CD ARG A 86 15.500 5.019 -1.055 1.00 0.00 C ATOM 1329 NE ARG A 86 16.864 4.822 -1.540 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.877 5.634 -1.250 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.684 6.694 -0.475 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.086 5.385 -1.734 1.00 0.00 N ATOM 0 H ARG A 86 10.943 3.904 0.159 1.00 0.00 H new ATOM 0 HA ARG A 86 12.601 2.031 -1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.817 4.549 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.385 4.452 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.317 3.082 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.744 3.154 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.949 5.637 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.526 5.563 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 86 17.050 4.015 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.756 6.889 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.464 7.314 -0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.239 4.571 -2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.863 6.008 -1.512 1.00 0.00 H new ATOM 1346 N ALA A 87 12.643 1.879 2.150 1.00 0.00 N ATOM 1347 CA ALA A 87 13.164 1.141 3.291 1.00 0.00 C ATOM 1348 C ALA A 87 12.790 -0.330 3.196 1.00 0.00 C ATOM 1349 O ALA A 87 13.506 -1.199 3.696 1.00 0.00 O ATOM 1350 CB ALA A 87 12.645 1.740 4.590 1.00 0.00 C ATOM 0 H ALA A 87 11.831 2.460 2.358 1.00 0.00 H new ATOM 0 HA ALA A 87 14.251 1.218 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.043 1.178 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.963 2.780 4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.556 1.692 4.603 1.00 0.00 H new ATOM 1356 N ALA A 88 11.661 -0.602 2.551 1.00 0.00 N ATOM 1357 CA ALA A 88 11.191 -1.967 2.381 1.00 0.00 C ATOM 1358 C ALA A 88 12.155 -2.764 1.515 1.00 0.00 C ATOM 1359 O ALA A 88 12.391 -3.947 1.760 1.00 0.00 O ATOM 1360 CB ALA A 88 9.795 -1.973 1.776 1.00 0.00 C ATOM 0 H ALA A 88 11.056 0.107 2.138 1.00 0.00 H new ATOM 0 HA ALA A 88 11.145 -2.441 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.456 -3.002 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.110 -1.441 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.818 -1.481 0.804 1.00 0.00 H new ATOM 1366 N MET A 89 12.711 -2.109 0.499 1.00 0.00 N ATOM 1367 CA MET A 89 13.663 -2.762 -0.389 1.00 0.00 C ATOM 1368 C MET A 89 14.923 -3.089 0.380 1.00 0.00 C ATOM 1369 O MET A 89 15.483 -4.171 0.247 1.00 0.00 O ATOM 1370 CB MET A 89 14.022 -1.868 -1.573 1.00 0.00 C ATOM 1371 CG MET A 89 12.946 -0.878 -1.955 1.00 0.00 C ATOM 1372 SD MET A 89 11.302 -1.615 -2.066 1.00 0.00 S ATOM 1373 CE MET A 89 11.563 -2.860 -3.325 1.00 0.00 C ATOM 0 H MET A 89 12.519 -1.133 0.273 1.00 0.00 H new ATOM 0 HA MET A 89 13.201 -3.673 -0.771 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.935 -1.321 -1.336 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.242 -2.498 -2.435 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.926 -0.073 -1.221 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.200 -0.428 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.604 -3.149 -3.755 1.00 0.00 H new ATOM 0 HE2 MET A 89 12.205 -2.457 -4.108 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.039 -3.734 -2.880 1.00 0.00 H new ATOM 1383 N GLU A 90 15.372 -2.123 1.168 1.00 0.00 N ATOM 1384 CA GLU A 90 16.560 -2.293 1.990 1.00 0.00 C ATOM 1385 C GLU A 90 16.389 -3.488 2.918 1.00 0.00 C ATOM 1386 O GLU A 90 17.330 -4.246 3.154 1.00 0.00 O ATOM 1387 CB GLU A 90 16.814 -1.031 2.815 1.00 0.00 C ATOM 1388 CG GLU A 90 16.968 0.225 1.974 1.00 0.00 C ATOM 1389 CD GLU A 90 18.196 0.188 1.086 1.00 0.00 C ATOM 1390 OE1 GLU A 90 19.276 0.608 1.551 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.077 -0.259 -0.074 1.00 0.00 O ATOM 0 H GLU A 90 14.928 -1.209 1.255 1.00 0.00 H new ATOM 0 HA GLU A 90 17.414 -2.469 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.989 -0.892 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.716 -1.172 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.080 0.353 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.026 1.093 2.631 1.00 0.00 H new ATOM 1398 N LYS A 91 15.176 -3.649 3.438 1.00 0.00 N ATOM 1399 CA LYS A 91 14.871 -4.751 4.344 1.00 0.00 C ATOM 1400 C LYS A 91 14.758 -6.075 3.597 1.00 0.00 C ATOM 1401 O LYS A 91 15.030 -7.135 4.159 1.00 0.00 O ATOM 1402 CB LYS A 91 13.575 -4.469 5.108 1.00 0.00 C ATOM 1403 CG LYS A 91 13.695 -3.333 6.112 1.00 0.00 C ATOM 1404 CD LYS A 91 14.659 -3.680 7.236 1.00 0.00 C ATOM 1405 CE LYS A 91 14.793 -2.537 8.228 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.307 -1.298 7.582 1.00 0.00 N ATOM 0 H LYS A 91 14.388 -3.030 3.247 1.00 0.00 H new ATOM 0 HA LYS A 91 15.695 -4.833 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.787 -4.230 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.267 -5.374 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.037 -2.432 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.713 -3.110 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.309 -4.573 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.637 -3.916 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.823 -2.334 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.466 -2.832 9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.608 -0.624 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.118 -1.534 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.555 -0.870 7.005 1.00 0.00 H new ATOM 1420 N LEU A 92 14.345 -6.019 2.337 1.00 0.00 N ATOM 1421 CA LEU A 92 14.215 -7.225 1.536 1.00 0.00 C ATOM 1422 C LEU A 92 15.545 -7.558 0.859 1.00 0.00 C ATOM 1423 O LEU A 92 15.810 -8.707 0.516 1.00 0.00 O ATOM 1424 CB LEU A 92 13.081 -7.052 0.515 1.00 0.00 C ATOM 1425 CG LEU A 92 13.359 -7.565 -0.897 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.272 -9.083 -0.944 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.378 -6.945 -1.881 1.00 0.00 C ATOM 0 H LEU A 92 14.096 -5.157 1.852 1.00 0.00 H new ATOM 0 HA LEU A 92 13.959 -8.065 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.196 -7.562 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.836 -5.992 0.452 1.00 0.00 H new ATOM 0 HG LEU A 92 14.371 -7.274 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.473 -9.428 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.007 -9.511 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.273 -9.400 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.585 -7.317 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.360 -7.213 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.485 -5.860 -1.867 1.00 0.00 H new ATOM 1439 N ALA A 93 16.384 -6.540 0.689 1.00 0.00 N ATOM 1440 CA ALA A 93 17.693 -6.705 0.063 1.00 0.00 C ATOM 1441 C ALA A 93 18.622 -7.555 0.928 1.00 0.00 C ATOM 1442 O ALA A 93 19.507 -8.238 0.413 1.00 0.00 O ATOM 1443 CB ALA A 93 18.322 -5.346 -0.204 1.00 0.00 C ATOM 0 H ALA A 93 16.178 -5.584 0.979 1.00 0.00 H new ATOM 0 HA ALA A 93 17.548 -7.225 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.298 -5.482 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.678 -4.772 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.442 -4.809 0.737 1.00 0.00 H new ATOM 1449 N GLU A 94 18.419 -7.508 2.243 1.00 0.00 N ATOM 1450 CA GLU A 94 19.240 -8.283 3.168 1.00 0.00 C ATOM 1451 C GLU A 94 18.753 -9.725 3.205 1.00 0.00 C ATOM 1452 O GLU A 94 19.466 -10.629 3.642 1.00 0.00 O ATOM 1453 CB GLU A 94 19.199 -7.671 4.570 1.00 0.00 C ATOM 1454 CG GLU A 94 17.795 -7.534 5.134 1.00 0.00 C ATOM 1455 CD GLU A 94 17.781 -6.942 6.529 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.012 -5.722 6.659 1.00 0.00 O ATOM 1457 OE2 GLU A 94 17.539 -7.700 7.493 1.00 0.00 O ATOM 0 H GLU A 94 17.696 -6.944 2.690 1.00 0.00 H new ATOM 0 HA GLU A 94 20.273 -8.265 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.793 -8.288 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.668 -6.687 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.201 -6.905 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.319 -8.514 5.155 1.00 0.00 H new ATOM 1464 N THR A 95 17.526 -9.923 2.740 1.00 0.00 N ATOM 1465 CA THR A 95 16.920 -11.242 2.676 1.00 0.00 C ATOM 1466 C THR A 95 16.533 -11.538 1.235 1.00 0.00 C ATOM 1467 O THR A 95 15.675 -12.378 0.959 1.00 0.00 O ATOM 1468 CB THR A 95 15.670 -11.334 3.572 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.695 -10.371 3.154 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.032 -11.093 5.030 1.00 0.00 C ATOM 0 H THR A 95 16.925 -9.173 2.398 1.00 0.00 H new ATOM 0 HA THR A 95 17.645 -11.972 3.036 1.00 0.00 H new ATOM 0 HB THR A 95 15.255 -12.337 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.903 -10.437 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.134 -11.163 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.753 -11.843 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.469 -10.100 5.137 1.00 0.00 H new ATOM 1478 N GLY A 96 17.192 -10.830 0.323 1.00 0.00 N ATOM 1479 CA GLY A 96 16.923 -10.971 -1.091 1.00 0.00 C ATOM 1480 C GLY A 96 17.170 -12.365 -1.620 1.00 0.00 C ATOM 1481 O GLY A 96 18.272 -12.904 -1.500 1.00 0.00 O ATOM 0 H GLY A 96 17.919 -10.151 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.886 -10.697 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.546 -10.267 -1.642 1.00 0.00 H new ATOM 1485 N THR A 97 16.135 -12.943 -2.212 1.00 0.00 N ATOM 1486 CA THR A 97 16.222 -14.275 -2.792 1.00 0.00 C ATOM 1487 C THR A 97 15.307 -14.397 -4.010 1.00 0.00 C ATOM 1488 O THR A 97 14.130 -14.043 -3.952 1.00 0.00 O ATOM 1489 CB THR A 97 15.854 -15.362 -1.762 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.898 -16.656 -2.377 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.470 -15.117 -1.180 1.00 0.00 C ATOM 0 H THR A 97 15.218 -12.506 -2.304 1.00 0.00 H new ATOM 0 HA THR A 97 17.256 -14.425 -3.103 1.00 0.00 H new ATOM 0 HB THR A 97 16.581 -15.320 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.665 -17.341 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.236 -15.898 -0.457 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.450 -14.146 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.731 -15.131 -1.981 1.00 0.00 H new ATOM 1499 N GLY A 98 15.860 -14.893 -5.114 1.00 0.00 N ATOM 1500 CA GLY A 98 15.080 -15.056 -6.329 1.00 0.00 C ATOM 1501 C GLY A 98 14.744 -13.737 -7.005 1.00 0.00 C ATOM 1502 O GLY A 98 15.610 -12.882 -7.185 1.00 0.00 O ATOM 0 H GLY A 98 16.834 -15.185 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.633 -15.684 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.155 -15.581 -6.092 1.00 0.00 H new ATOM 1506 N PHE A 99 13.475 -13.581 -7.380 1.00 0.00 N ATOM 1507 CA PHE A 99 13.002 -12.371 -8.050 1.00 0.00 C ATOM 1508 C PHE A 99 12.803 -11.227 -7.056 1.00 0.00 C ATOM 1509 O PHE A 99 12.967 -10.057 -7.404 1.00 0.00 O ATOM 1510 CB PHE A 99 11.693 -12.672 -8.791 1.00 0.00 C ATOM 1511 CG PHE A 99 10.844 -11.462 -9.073 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.201 -10.554 -10.058 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.679 -11.240 -8.355 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.413 -9.446 -10.317 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.889 -10.136 -8.609 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.255 -9.237 -9.590 1.00 0.00 C ATOM 0 H PHE A 99 12.751 -14.284 -7.229 1.00 0.00 H new ATOM 0 HA PHE A 99 13.759 -12.055 -8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.929 -13.163 -9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.111 -13.380 -8.201 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.104 -10.713 -10.629 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.385 -11.940 -7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.702 -8.745 -11.086 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.985 -9.976 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.639 -8.373 -9.790 1.00 0.00 H new ATOM 1526 N ALA A 100 12.451 -11.571 -5.822 1.00 0.00 N ATOM 1527 CA ALA A 100 12.227 -10.573 -4.781 1.00 0.00 C ATOM 1528 C ALA A 100 13.442 -9.666 -4.606 1.00 0.00 C ATOM 1529 O ALA A 100 13.303 -8.466 -4.382 1.00 0.00 O ATOM 1530 CB ALA A 100 11.890 -11.256 -3.465 1.00 0.00 C ATOM 0 H ALA A 100 12.314 -12.535 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 100 11.387 -9.951 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.725 -10.502 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.987 -11.854 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.716 -11.902 -3.168 1.00 0.00 H new ATOM 1536 N ARG A 101 14.631 -10.245 -4.716 1.00 0.00 N ATOM 1537 CA ARG A 101 15.870 -9.489 -4.559 1.00 0.00 C ATOM 1538 C ARG A 101 16.066 -8.488 -5.692 1.00 0.00 C ATOM 1539 O ARG A 101 16.183 -7.286 -5.456 1.00 0.00 O ATOM 1540 CB ARG A 101 17.060 -10.439 -4.510 1.00 0.00 C ATOM 1541 CG ARG A 101 18.395 -9.730 -4.353 1.00 0.00 C ATOM 1542 CD ARG A 101 19.412 -10.598 -3.630 1.00 0.00 C ATOM 1543 NE ARG A 101 20.726 -9.961 -3.573 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.795 -10.516 -3.008 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.717 -11.725 -2.469 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.947 -9.860 -2.987 1.00 0.00 N ATOM 0 H ARG A 101 14.765 -11.237 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 101 15.800 -8.935 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.927 -11.133 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.078 -11.033 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.781 -9.459 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.251 -8.802 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.062 -10.801 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.496 -11.559 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 101 20.830 -9.036 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.834 -12.235 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.540 -12.145 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.013 -8.931 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.768 -10.284 -2.554 1.00 0.00 H new ATOM 1560 N LYS A 102 16.113 -8.998 -6.923 1.00 0.00 N ATOM 1561 CA LYS A 102 16.298 -8.158 -8.104 1.00 0.00 C ATOM 1562 C LYS A 102 15.365 -6.951 -8.067 1.00 0.00 C ATOM 1563 O LYS A 102 15.611 -5.936 -8.718 1.00 0.00 O ATOM 1564 CB LYS A 102 16.042 -8.976 -9.374 1.00 0.00 C ATOM 1565 CG LYS A 102 16.325 -8.213 -10.658 1.00 0.00 C ATOM 1566 CD LYS A 102 17.819 -8.086 -10.924 1.00 0.00 C ATOM 1567 CE LYS A 102 18.468 -9.442 -11.166 1.00 0.00 C ATOM 1568 NZ LYS A 102 19.929 -9.319 -11.424 1.00 0.00 N ATOM 0 H LYS A 102 16.025 -9.993 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 102 17.326 -7.797 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.662 -9.872 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.003 -9.307 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.849 -8.722 -11.496 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.881 -7.219 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.981 -7.446 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 102 18.299 -7.600 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.305 -10.083 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.989 -9.928 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.334 -10.263 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.084 -8.729 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 20.391 -8.879 -10.603 1.00 0.00 H new ATOM 1582 N VAL A 103 14.296 -7.077 -7.296 1.00 0.00 N ATOM 1583 CA VAL A 103 13.309 -6.019 -7.157 1.00 0.00 C ATOM 1584 C VAL A 103 13.813 -4.881 -6.267 1.00 0.00 C ATOM 1585 O VAL A 103 13.865 -3.730 -6.693 1.00 0.00 O ATOM 1586 CB VAL A 103 12.000 -6.586 -6.574 1.00 0.00 C ATOM 1587 CG1 VAL A 103 11.115 -5.478 -6.019 1.00 0.00 C ATOM 1588 CG2 VAL A 103 11.256 -7.384 -7.633 1.00 0.00 C ATOM 0 H VAL A 103 14.089 -7.914 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 103 13.126 -5.614 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 103 12.257 -7.249 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.200 -5.911 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.646 -4.950 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.864 -4.779 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.333 -7.779 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 103 11.019 -6.736 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.882 -8.209 -7.973 1.00 0.00 H new ATOM 1598 N ALA A 104 14.190 -5.214 -5.036 1.00 0.00 N ATOM 1599 CA ALA A 104 14.664 -4.224 -4.072 1.00 0.00 C ATOM 1600 C ALA A 104 15.771 -3.325 -4.617 1.00 0.00 C ATOM 1601 O ALA A 104 15.634 -2.105 -4.646 1.00 0.00 O ATOM 1602 CB ALA A 104 15.149 -4.924 -2.813 1.00 0.00 C ATOM 0 H ALA A 104 14.176 -6.170 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 104 13.816 -3.577 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.502 -4.182 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.329 -5.491 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.965 -5.601 -3.065 1.00 0.00 H new ATOM 1608 N VAL A 105 16.854 -3.944 -5.051 1.00 0.00 N ATOM 1609 CA VAL A 105 18.027 -3.221 -5.542 1.00 0.00 C ATOM 1610 C VAL A 105 17.722 -2.297 -6.722 1.00 0.00 C ATOM 1611 O VAL A 105 17.869 -1.079 -6.617 1.00 0.00 O ATOM 1612 CB VAL A 105 19.142 -4.200 -5.956 1.00 0.00 C ATOM 1613 CG1 VAL A 105 20.385 -3.444 -6.406 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.471 -5.147 -4.812 1.00 0.00 C ATOM 0 H VAL A 105 16.951 -4.959 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 105 18.355 -2.599 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 105 18.783 -4.792 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.159 -4.155 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.138 -2.812 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.749 -2.823 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.261 -5.832 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.807 -4.572 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.581 -5.717 -4.544 1.00 0.00 H new ATOM 1624 N ASN A 106 17.304 -2.878 -7.838 1.00 0.00 N ATOM 1625 CA ASN A 106 17.022 -2.104 -9.045 1.00 0.00 C ATOM 1626 C ASN A 106 15.946 -1.043 -8.832 1.00 0.00 C ATOM 1627 O ASN A 106 16.018 0.038 -9.417 1.00 0.00 O ATOM 1628 CB ASN A 106 16.611 -3.038 -10.185 1.00 0.00 C ATOM 1629 CG ASN A 106 17.714 -4.007 -10.561 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.788 -5.116 -10.035 1.00 0.00 O ATOM 1631 ND2 ASN A 106 18.583 -3.590 -11.475 1.00 0.00 N ATOM 0 H ASN A 106 17.152 -3.882 -7.935 1.00 0.00 H new ATOM 0 HA ASN A 106 17.942 -1.580 -9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.723 -3.598 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.339 -2.444 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 106 19.349 -4.198 -11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.485 -2.662 -11.886 1.00 0.00 H new ATOM 1638 N TYR A 107 14.951 -1.339 -8.002 1.00 0.00 N ATOM 1639 CA TYR A 107 13.874 -0.405 -7.760 1.00 0.00 C ATOM 1640 C TYR A 107 14.390 0.870 -7.106 1.00 0.00 C ATOM 1641 O TYR A 107 13.784 1.934 -7.233 1.00 0.00 O ATOM 1642 CB TYR A 107 12.807 -1.068 -6.903 1.00 0.00 C ATOM 1643 CG TYR A 107 11.793 -0.104 -6.368 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.908 0.553 -7.208 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.736 0.155 -5.018 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.987 1.447 -6.706 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.820 1.046 -4.499 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.945 1.691 -5.349 1.00 0.00 C ATOM 1649 OH TYR A 107 9.026 2.581 -4.842 1.00 0.00 O ATOM 0 H TYR A 107 14.874 -2.218 -7.490 1.00 0.00 H new ATOM 0 HA TYR A 107 13.432 -0.122 -8.715 1.00 0.00 H new ATOM 0 HB2 TYR A 107 12.298 -1.829 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.287 -1.580 -6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.940 0.362 -8.270 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.421 -0.349 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.303 1.953 -7.371 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.788 1.237 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 107 8.199 2.105 -4.617 1.00 0.00 H new ATOM 1659 N LEU A 108 15.511 0.753 -6.401 1.00 0.00 N ATOM 1660 CA LEU A 108 16.113 1.896 -5.725 1.00 0.00 C ATOM 1661 C LEU A 108 16.398 3.023 -6.712 1.00 0.00 C ATOM 1662 O LEU A 108 16.539 4.184 -6.323 1.00 0.00 O ATOM 1663 CB LEU A 108 17.408 1.476 -5.027 1.00 0.00 C ATOM 1664 CG LEU A 108 17.242 0.458 -3.896 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.596 0.066 -3.327 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.345 1.014 -2.799 1.00 0.00 C ATOM 0 H LEU A 108 16.021 -0.123 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 108 15.406 2.260 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.084 1.058 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.889 2.367 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 108 16.769 -0.434 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.457 -0.658 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.207 -0.377 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.096 0.952 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.240 0.275 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.788 1.923 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.363 1.243 -3.213 1.00 0.00 H new ATOM 1678 N GLU A 109 16.479 2.672 -7.991 1.00 0.00 N ATOM 1679 CA GLU A 109 16.746 3.646 -9.043 1.00 0.00 C ATOM 1680 C GLU A 109 15.629 4.686 -9.122 1.00 0.00 C ATOM 1681 O GLU A 109 15.773 5.716 -9.781 1.00 0.00 O ATOM 1682 CB GLU A 109 16.894 2.933 -10.390 1.00 0.00 C ATOM 1683 CG GLU A 109 17.453 3.817 -11.493 1.00 0.00 C ATOM 1684 CD GLU A 109 17.429 3.142 -12.850 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.330 2.320 -13.120 1.00 0.00 O ATOM 1686 OE2 GLU A 109 16.509 3.435 -13.643 1.00 0.00 O ATOM 0 H GLU A 109 16.363 1.715 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 109 17.676 4.162 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.546 2.069 -10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.920 2.554 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.876 4.741 -11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.478 4.094 -11.247 1.00 0.00 H new ATOM 1693 N THR A 110 14.518 4.412 -8.443 1.00 0.00 N ATOM 1694 CA THR A 110 13.378 5.323 -8.439 1.00 0.00 C ATOM 1695 C THR A 110 12.865 5.564 -7.021 1.00 0.00 C ATOM 1696 O THR A 110 11.724 5.989 -6.830 1.00 0.00 O ATOM 1697 CB THR A 110 12.227 4.783 -9.308 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.799 3.504 -8.823 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.663 4.661 -10.761 1.00 0.00 C ATOM 0 H THR A 110 14.383 3.566 -7.889 1.00 0.00 H new ATOM 0 HA THR A 110 13.727 6.267 -8.857 1.00 0.00 H new ATOM 0 HB THR A 110 11.396 5.486 -9.249 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.485 3.133 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.836 4.278 -11.358 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.958 5.641 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 110 13.508 3.977 -10.831 1.00 0.00 H new ATOM 1707 N HIS A 111 13.715 5.292 -6.033 1.00 0.00 N ATOM 1708 CA HIS A 111 13.361 5.484 -4.628 1.00 0.00 C ATOM 1709 C HIS A 111 12.192 4.589 -4.230 1.00 0.00 C ATOM 1710 O HIS A 111 12.446 3.496 -3.685 1.00 0.00 O ATOM 1711 CB HIS A 111 13.012 6.951 -4.358 1.00 0.00 C ATOM 1712 CG HIS A 111 14.104 7.908 -4.720 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.162 8.560 -5.934 1.00 0.00 N ATOM 1714 CD2 HIS A 111 15.182 8.330 -4.017 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.228 9.340 -5.962 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.863 9.219 -4.812 1.00 0.00 N ATOM 1717 OXT HIS A 111 11.032 4.991 -4.464 1.00 0.00 O ATOM 0 H HIS A 111 14.659 4.936 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 111 14.226 5.209 -4.025 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.114 7.210 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.773 7.069 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 111 15.455 8.024 -3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.529 9.970 -6.786 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.721 9.707 -4.555 1.00 0.00 H new