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= -1.75 K(o=-3.6,f=-1.4) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.88! K(o=-3.6!,f=-3) USER MOD Single : A 30 SER OG : rot 61:sc= 0.916 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.71! C(o=-2.7!,f=-4.3!) USER MOD Single : A 50 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.22) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -151:sc= 0.338 USER MOD Single : A 89 MET CE :methyl -109:sc= -10.2! (180deg=-18.3!) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0191 (180deg=-0.182) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.104 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 X(o=0,f=-0.43) USER MOD Single : A 107 TYR OH : rot -83:sc= -2.03! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.167 -1.422 4.040 1.00 0.00 N ATOM 348 CA ALA A 23 -11.697 -2.801 4.047 1.00 0.00 C ATOM 349 C ALA A 23 -10.192 -2.865 4.302 1.00 0.00 C ATOM 350 O ALA A 23 -9.549 -3.876 4.017 1.00 0.00 O ATOM 351 CB ALA A 23 -12.048 -3.487 2.737 1.00 0.00 C ATOM 0 HA ALA A 23 -12.198 -3.327 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.690 -4.516 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.130 -3.482 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.576 -2.956 1.910 1.00 0.00 H new ATOM 357 N PHE A 24 -9.641 -1.781 4.844 1.00 0.00 N ATOM 358 CA PHE A 24 -8.220 -1.707 5.151 1.00 0.00 C ATOM 359 C PHE A 24 -7.813 -2.863 6.051 1.00 0.00 C ATOM 360 O PHE A 24 -6.865 -3.589 5.758 1.00 0.00 O ATOM 361 CB PHE A 24 -7.912 -0.373 5.830 1.00 0.00 C ATOM 362 CG PHE A 24 -6.451 -0.036 5.870 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.667 -0.156 4.735 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.866 0.409 7.042 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.327 0.162 4.768 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.524 0.727 7.081 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.753 0.604 5.943 1.00 0.00 C ATOM 0 H PHE A 24 -10.164 -0.938 5.080 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.651 -1.776 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.444 0.421 5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.298 -0.397 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.111 -0.503 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.465 0.508 7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.726 0.066 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.077 1.072 8.002 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.703 0.853 5.972 1.00 0.00 H new ATOM 377 N GLU A 25 -8.523 -3.015 7.160 1.00 0.00 N ATOM 378 CA GLU A 25 -8.252 -4.095 8.098 1.00 0.00 C ATOM 379 C GLU A 25 -8.490 -5.465 7.462 1.00 0.00 C ATOM 380 O GLU A 25 -7.582 -6.294 7.445 1.00 0.00 O ATOM 381 CB GLU A 25 -9.104 -3.948 9.350 1.00 0.00 C ATOM 382 CG GLU A 25 -8.352 -3.377 10.542 1.00 0.00 C ATOM 383 CD GLU A 25 -9.236 -3.215 11.762 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.872 -2.148 11.896 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.292 -4.153 12.584 1.00 0.00 O ATOM 0 H GLU A 25 -9.292 -2.403 7.432 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.200 -4.028 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.954 -3.303 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.507 -4.924 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.516 -4.032 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.930 -2.409 10.272 1.00 0.00 H new ATOM 392 N PRO A 26 -9.715 -5.735 6.939 1.00 0.00 N ATOM 393 CA PRO A 26 -10.031 -7.019 6.304 1.00 0.00 C ATOM 394 C PRO A 26 -8.891 -7.503 5.422 1.00 0.00 C ATOM 395 O PRO A 26 -8.651 -8.705 5.291 1.00 0.00 O ATOM 396 CB PRO A 26 -11.262 -6.694 5.464 1.00 0.00 C ATOM 397 CG PRO A 26 -11.955 -5.613 6.219 1.00 0.00 C ATOM 398 CD PRO A 26 -10.879 -4.821 6.921 1.00 0.00 C ATOM 0 HA PRO A 26 -10.195 -7.817 7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.984 -6.363 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.903 -7.568 5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.528 -4.976 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.659 -6.032 6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.653 -3.897 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.183 -4.542 7.930 1.00 0.00 H new ATOM 406 N LEU A 27 -8.198 -6.549 4.819 1.00 0.00 N ATOM 407 CA LEU A 27 -7.059 -6.840 3.963 1.00 0.00 C ATOM 408 C LEU A 27 -5.967 -7.530 4.769 1.00 0.00 C ATOM 409 O LEU A 27 -5.547 -8.643 4.451 1.00 0.00 O ATOM 410 CB LEU A 27 -6.537 -5.536 3.370 1.00 0.00 C ATOM 411 CG LEU A 27 -7.341 -4.997 2.184 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.060 -3.517 1.976 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.019 -5.782 0.922 1.00 0.00 C ATOM 0 H LEU A 27 -8.409 -5.555 4.909 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.365 -7.506 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.522 -4.778 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.505 -5.686 3.052 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.402 -5.118 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.640 -3.152 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.340 -2.964 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.998 -3.373 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.599 -5.385 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.956 -5.692 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.271 -6.832 1.072 1.00 0.00 H new ATOM 425 N LEU A 28 -5.512 -6.852 5.819 1.00 0.00 N ATOM 426 CA LEU A 28 -4.487 -7.392 6.704 1.00 0.00 C ATOM 427 C LEU A 28 -5.020 -8.625 7.424 1.00 0.00 C ATOM 428 O LEU A 28 -4.255 -9.466 7.896 1.00 0.00 O ATOM 429 CB LEU A 28 -4.058 -6.317 7.713 1.00 0.00 C ATOM 430 CG LEU A 28 -3.416 -6.828 9.008 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.090 -7.513 8.721 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.223 -5.684 9.990 1.00 0.00 C ATOM 0 H LEU A 28 -5.840 -5.922 6.078 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.617 -7.686 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.353 -5.646 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.933 -5.723 7.975 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.087 -7.562 9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.654 -7.867 9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.254 -8.359 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.410 -6.805 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.766 -6.063 10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.574 -4.929 9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.190 -5.239 10.225 1.00 0.00 H new ATOM 444 N GLU A 29 -6.341 -8.728 7.487 1.00 0.00 N ATOM 445 CA GLU A 29 -6.990 -9.853 8.140 1.00 0.00 C ATOM 446 C GLU A 29 -6.884 -11.103 7.269 1.00 0.00 C ATOM 447 O GLU A 29 -6.786 -12.221 7.773 1.00 0.00 O ATOM 448 CB GLU A 29 -8.460 -9.527 8.414 1.00 0.00 C ATOM 449 CG GLU A 29 -9.149 -10.526 9.331 1.00 0.00 C ATOM 450 CD GLU A 29 -8.665 -10.433 10.765 1.00 0.00 C ATOM 451 OE1 GLU A 29 -7.655 -11.090 11.095 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.296 -9.702 11.557 1.00 0.00 O ATOM 0 H GLU A 29 -6.985 -8.042 7.092 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.488 -10.043 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.526 -8.534 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.997 -9.488 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.225 -10.356 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.976 -11.535 8.958 1.00 0.00 H new ATOM 459 N SER A 30 -6.906 -10.896 5.953 1.00 0.00 N ATOM 460 CA SER A 30 -6.819 -11.992 4.993 1.00 0.00 C ATOM 461 C SER A 30 -5.456 -12.682 5.043 1.00 0.00 C ATOM 462 O SER A 30 -5.301 -13.798 4.547 1.00 0.00 O ATOM 463 CB SER A 30 -7.083 -11.475 3.576 1.00 0.00 C ATOM 464 OG SER A 30 -8.367 -10.884 3.481 1.00 0.00 O ATOM 0 H SER A 30 -6.984 -9.973 5.527 1.00 0.00 H new ATOM 0 HA SER A 30 -7.579 -12.726 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.322 -10.744 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.004 -12.297 2.865 1.00 0.00 H new ATOM 0 HG SER A 30 -8.422 -10.121 4.093 1.00 0.00 H new ATOM 470 N LEU A 31 -4.469 -12.014 5.636 1.00 0.00 N ATOM 471 CA LEU A 31 -3.125 -12.579 5.744 1.00 0.00 C ATOM 472 C LEU A 31 -3.127 -13.814 6.638 1.00 0.00 C ATOM 473 O LEU A 31 -2.117 -14.509 6.757 1.00 0.00 O ATOM 474 CB LEU A 31 -2.142 -11.541 6.292 1.00 0.00 C ATOM 475 CG LEU A 31 -1.954 -10.294 5.426 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.916 -9.372 6.046 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.543 -10.677 4.011 1.00 0.00 C ATOM 0 H LEU A 31 -4.573 -11.086 6.047 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.805 -12.871 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.482 -11.229 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.172 -12.019 6.426 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.906 -9.766 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.793 -8.489 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.246 -9.068 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.036 -9.897 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.415 -9.775 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.603 -11.229 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.316 -11.302 3.564 1.00 0.00 H new ATOM 489 N SER A 32 -4.268 -14.079 7.261 1.00 0.00 N ATOM 490 CA SER A 32 -4.411 -15.229 8.147 1.00 0.00 C ATOM 491 C SER A 32 -5.532 -16.139 7.658 1.00 0.00 C ATOM 492 O SER A 32 -6.028 -16.989 8.398 1.00 0.00 O ATOM 493 CB SER A 32 -4.697 -14.764 9.576 1.00 0.00 C ATOM 494 OG SER A 32 -3.644 -13.953 10.069 1.00 0.00 O ATOM 0 H SER A 32 -5.111 -13.512 7.169 1.00 0.00 H new ATOM 0 HA SER A 32 -3.477 -15.790 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.632 -14.205 9.599 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.827 -15.630 10.225 1.00 0.00 H new ATOM 0 HG SER A 32 -3.852 -13.667 10.983 1.00 0.00 H new ATOM 500 N ASN A 33 -5.916 -15.952 6.401 1.00 0.00 N ATOM 501 CA ASN A 33 -6.977 -16.739 5.791 1.00 0.00 C ATOM 502 C ASN A 33 -6.417 -18.017 5.168 1.00 0.00 C ATOM 503 O ASN A 33 -5.370 -17.996 4.521 1.00 0.00 O ATOM 504 CB ASN A 33 -7.688 -15.893 4.735 1.00 0.00 C ATOM 505 CG ASN A 33 -8.583 -16.705 3.827 1.00 0.00 C ATOM 506 OD1 ASN A 33 -9.171 -17.705 4.238 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.687 -16.269 2.579 1.00 0.00 N ATOM 0 H ASN A 33 -5.503 -15.255 5.781 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.691 -17.031 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.284 -15.128 5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.943 -15.375 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.275 -16.768 1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.179 -15.434 2.286 1.00 0.00 H new ATOM 514 N GLU A 34 -7.123 -19.127 5.375 1.00 0.00 N ATOM 515 CA GLU A 34 -6.701 -20.422 4.846 1.00 0.00 C ATOM 516 C GLU A 34 -6.445 -20.358 3.342 1.00 0.00 C ATOM 517 O GLU A 34 -5.517 -20.988 2.835 1.00 0.00 O ATOM 518 CB GLU A 34 -7.759 -21.486 5.146 1.00 0.00 C ATOM 519 CG GLU A 34 -7.989 -21.714 6.630 1.00 0.00 C ATOM 520 CD GLU A 34 -6.768 -22.276 7.330 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.924 -21.477 7.788 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.654 -23.518 7.420 1.00 0.00 O ATOM 0 H GLU A 34 -7.993 -19.155 5.907 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.766 -20.690 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.700 -21.191 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.457 -22.426 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.270 -20.771 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.827 -22.399 6.763 1.00 0.00 H new ATOM 529 N ASP A 35 -7.269 -19.591 2.634 1.00 0.00 N ATOM 530 CA ASP A 35 -7.130 -19.455 1.188 1.00 0.00 C ATOM 531 C ASP A 35 -5.960 -18.536 0.842 1.00 0.00 C ATOM 532 O ASP A 35 -5.811 -17.460 1.420 1.00 0.00 O ATOM 533 CB ASP A 35 -8.424 -18.910 0.581 1.00 0.00 C ATOM 534 CG ASP A 35 -8.428 -18.980 -0.933 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.857 -20.019 -1.479 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.003 -17.996 -1.575 1.00 0.00 O ATOM 0 H ASP A 35 -8.038 -19.056 3.037 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.930 -20.441 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.271 -19.476 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.561 -17.875 0.894 1.00 0.00 H new ATOM 541 N TRP A 36 -5.134 -18.970 -0.107 1.00 0.00 N ATOM 542 CA TRP A 36 -3.971 -18.193 -0.526 1.00 0.00 C ATOM 543 C TRP A 36 -4.306 -17.282 -1.704 1.00 0.00 C ATOM 544 O TRP A 36 -3.684 -16.236 -1.886 1.00 0.00 O ATOM 545 CB TRP A 36 -2.821 -19.128 -0.907 1.00 0.00 C ATOM 546 CG TRP A 36 -2.298 -19.926 0.247 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.933 -20.948 0.894 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.028 -19.771 0.891 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.138 -21.432 1.903 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.965 -20.729 1.921 1.00 0.00 C ATOM 551 CE3 TRP A 36 0.061 -18.916 0.700 1.00 0.00 C ATOM 552 CZ2 TRP A 36 0.142 -20.854 2.754 1.00 0.00 C ATOM 553 CZ3 TRP A 36 1.159 -19.043 1.527 1.00 0.00 C ATOM 554 CH2 TRP A 36 1.192 -20.006 2.543 1.00 0.00 C ATOM 0 H TRP A 36 -5.249 -19.855 -0.600 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.668 -17.568 0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.160 -19.810 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.008 -18.538 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.916 -21.321 0.648 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.383 -22.193 2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.044 -18.170 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.170 -21.595 3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.007 -18.389 1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.066 -20.080 3.173 1.00 0.00 H new ATOM 565 N ARG A 37 -5.291 -17.686 -2.498 1.00 0.00 N ATOM 566 CA ARG A 37 -5.703 -16.906 -3.660 1.00 0.00 C ATOM 567 C ARG A 37 -6.189 -15.520 -3.248 1.00 0.00 C ATOM 568 O ARG A 37 -5.958 -14.537 -3.952 1.00 0.00 O ATOM 569 CB ARG A 37 -6.804 -17.642 -4.427 1.00 0.00 C ATOM 570 CG ARG A 37 -6.468 -19.094 -4.740 1.00 0.00 C ATOM 571 CD ARG A 37 -5.227 -19.208 -5.611 1.00 0.00 C ATOM 572 NE ARG A 37 -5.385 -18.507 -6.883 1.00 0.00 N ATOM 573 CZ ARG A 37 -4.369 -18.172 -7.673 1.00 0.00 C ATOM 574 NH1 ARG A 37 -3.125 -18.479 -7.328 1.00 0.00 N ATOM 575 NH2 ARG A 37 -4.596 -17.529 -8.810 1.00 0.00 N ATOM 0 H ARG A 37 -5.819 -18.548 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.836 -16.783 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.724 -17.609 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.999 -17.114 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.311 -19.640 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.312 -19.562 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.370 -18.799 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.013 -20.260 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.328 -18.260 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.945 -18.974 -6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.348 -18.220 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.551 -17.291 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.816 -17.272 -9.415 1.00 0.00 H new ATOM 589 N ILE A 38 -6.859 -15.447 -2.101 1.00 0.00 N ATOM 590 CA ILE A 38 -7.378 -14.179 -1.600 1.00 0.00 C ATOM 591 C ILE A 38 -6.292 -13.385 -0.880 1.00 0.00 C ATOM 592 O ILE A 38 -6.223 -12.162 -1.005 1.00 0.00 O ATOM 593 CB ILE A 38 -8.567 -14.394 -0.644 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.679 -15.175 -1.351 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.088 -13.055 -0.135 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.864 -15.493 -0.462 1.00 0.00 C ATOM 0 H ILE A 38 -7.055 -16.249 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.720 -13.614 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.228 -14.976 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.025 -14.599 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.266 -16.107 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.928 -13.224 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.293 -12.534 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.416 -12.448 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.609 -16.047 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.533 -16.096 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.304 -14.565 -0.096 1.00 0.00 H new ATOM 608 N ARG A 39 -5.448 -14.086 -0.128 1.00 0.00 N ATOM 609 CA ARG A 39 -4.365 -13.439 0.607 1.00 0.00 C ATOM 610 C ARG A 39 -3.477 -12.639 -0.340 1.00 0.00 C ATOM 611 O ARG A 39 -2.833 -11.671 0.065 1.00 0.00 O ATOM 612 CB ARG A 39 -3.528 -14.479 1.354 1.00 0.00 C ATOM 613 CG ARG A 39 -2.415 -13.871 2.192 1.00 0.00 C ATOM 614 CD ARG A 39 -1.596 -14.939 2.898 1.00 0.00 C ATOM 615 NE ARG A 39 -2.400 -15.697 3.853 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.950 -16.754 4.524 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.706 -17.180 4.344 1.00 0.00 N ATOM 618 NH2 ARG A 39 -2.744 -17.385 5.376 1.00 0.00 N ATOM 0 H ARG A 39 -5.492 -15.098 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.807 -12.756 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.182 -15.064 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.093 -15.170 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.763 -13.275 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.844 -13.194 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.172 -15.619 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.760 -14.471 3.418 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.362 -15.399 4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.091 -16.697 3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.365 -17.991 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.701 -17.061 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.399 -18.195 5.890 1.00 0.00 H new ATOM 632 N GLY A 40 -3.451 -13.053 -1.603 1.00 0.00 N ATOM 633 CA GLY A 40 -2.646 -12.364 -2.592 1.00 0.00 C ATOM 634 C GLY A 40 -3.190 -10.990 -2.916 1.00 0.00 C ATOM 635 O GLY A 40 -2.531 -9.981 -2.664 1.00 0.00 O ATOM 0 H GLY A 40 -3.974 -13.854 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.624 -12.271 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.604 -12.960 -3.503 1.00 0.00 H new ATOM 639 N ALA A 41 -4.401 -10.952 -3.472 1.00 0.00 N ATOM 640 CA ALA A 41 -5.049 -9.697 -3.832 1.00 0.00 C ATOM 641 C ALA A 41 -4.998 -8.695 -2.681 1.00 0.00 C ATOM 642 O ALA A 41 -5.071 -7.486 -2.895 1.00 0.00 O ATOM 643 CB ALA A 41 -6.491 -9.948 -4.246 1.00 0.00 C ATOM 0 H ALA A 41 -4.953 -11.783 -3.683 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.506 -9.269 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.963 -9.002 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.511 -10.618 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.033 -10.404 -3.418 1.00 0.00 H new ATOM 649 N ALA A 42 -4.874 -9.211 -1.461 1.00 0.00 N ATOM 650 CA ALA A 42 -4.814 -8.366 -0.274 1.00 0.00 C ATOM 651 C ALA A 42 -3.685 -7.344 -0.376 1.00 0.00 C ATOM 652 O ALA A 42 -3.921 -6.140 -0.293 1.00 0.00 O ATOM 653 CB ALA A 42 -4.639 -9.220 0.971 1.00 0.00 C ATOM 0 H ALA A 42 -4.813 -10.211 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.755 -7.820 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.596 -8.577 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.482 -9.905 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.714 -9.791 0.893 1.00 0.00 H new ATOM 659 N ALA A 43 -2.460 -7.830 -0.566 1.00 0.00 N ATOM 660 CA ALA A 43 -1.302 -6.950 -0.679 1.00 0.00 C ATOM 661 C ALA A 43 -1.317 -6.186 -1.998 1.00 0.00 C ATOM 662 O ALA A 43 -0.738 -5.105 -2.109 1.00 0.00 O ATOM 663 CB ALA A 43 -0.021 -7.751 -0.564 1.00 0.00 C ATOM 0 H ALA A 43 -2.246 -8.824 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.350 -6.228 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.835 -7.082 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.008 -8.255 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.017 -8.493 -1.361 1.00 0.00 H new ATOM 669 N TRP A 44 -1.992 -6.755 -2.993 1.00 0.00 N ATOM 670 CA TRP A 44 -2.074 -6.152 -4.320 1.00 0.00 C ATOM 671 C TRP A 44 -2.613 -4.724 -4.274 1.00 0.00 C ATOM 672 O TRP A 44 -2.078 -3.832 -4.934 1.00 0.00 O ATOM 673 CB TRP A 44 -2.949 -7.010 -5.231 1.00 0.00 C ATOM 674 CG TRP A 44 -2.157 -8.019 -5.998 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.553 -9.133 -5.499 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.868 -7.997 -7.400 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.904 -9.807 -6.504 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.082 -9.130 -7.680 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.198 -7.131 -8.445 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.618 -9.418 -8.960 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.739 -7.417 -9.717 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.956 -8.553 -9.966 1.00 0.00 C ATOM 0 H TRP A 44 -2.493 -7.639 -2.904 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.061 -6.106 -4.719 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.701 -7.523 -4.631 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.484 -6.365 -5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.580 -9.441 -4.464 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.375 -10.672 -6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.801 -6.254 -8.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.013 -10.292 -9.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.988 -6.754 -10.533 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.613 -8.750 -10.971 1.00 0.00 H new ATOM 693 N ILE A 45 -3.672 -4.511 -3.501 1.00 0.00 N ATOM 694 CA ILE A 45 -4.281 -3.188 -3.390 1.00 0.00 C ATOM 695 C ILE A 45 -3.823 -2.459 -2.127 1.00 0.00 C ATOM 696 O ILE A 45 -3.909 -1.233 -2.041 1.00 0.00 O ATOM 697 CB ILE A 45 -5.823 -3.279 -3.396 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.300 -4.046 -4.635 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.438 -1.886 -3.356 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.803 -4.227 -4.701 1.00 0.00 C ATOM 0 H ILE A 45 -4.126 -5.234 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.953 -2.619 -4.260 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.147 -3.820 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.967 -3.517 -5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.824 -5.027 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.525 -1.968 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.117 -1.372 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.113 -1.320 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.064 -4.778 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.141 -4.783 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.287 -3.250 -4.719 1.00 0.00 H new ATOM 712 N ILE A 46 -3.330 -3.216 -1.152 1.00 0.00 N ATOM 713 CA ILE A 46 -2.878 -2.639 0.110 1.00 0.00 C ATOM 714 C ILE A 46 -1.823 -1.551 -0.111 1.00 0.00 C ATOM 715 O ILE A 46 -1.780 -0.564 0.621 1.00 0.00 O ATOM 716 CB ILE A 46 -2.321 -3.731 1.056 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.683 -3.411 2.507 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.811 -3.875 0.908 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.803 -4.639 3.383 1.00 0.00 C ATOM 0 H ILE A 46 -3.233 -4.230 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.748 -2.179 0.579 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.778 -4.681 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.925 -2.749 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.627 -2.867 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.451 -4.649 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.571 -4.151 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.330 -2.928 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.062 -4.338 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.581 -5.292 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.853 -5.173 3.394 1.00 0.00 H new ATOM 731 N GLY A 47 -0.990 -1.728 -1.131 1.00 0.00 N ATOM 732 CA GLY A 47 0.057 -0.760 -1.413 1.00 0.00 C ATOM 733 C GLY A 47 -0.477 0.599 -1.832 1.00 0.00 C ATOM 734 O GLY A 47 0.180 1.619 -1.626 1.00 0.00 O ATOM 0 H GLY A 47 -1.020 -2.524 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.680 -0.640 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.699 -1.150 -2.203 1.00 0.00 H new ATOM 738 N ASN A 48 -1.666 0.613 -2.425 1.00 0.00 N ATOM 739 CA ASN A 48 -2.279 1.857 -2.886 1.00 0.00 C ATOM 740 C ASN A 48 -2.740 2.733 -1.721 1.00 0.00 C ATOM 741 O ASN A 48 -3.282 3.817 -1.934 1.00 0.00 O ATOM 742 CB ASN A 48 -3.463 1.552 -3.806 1.00 0.00 C ATOM 743 CG ASN A 48 -3.044 0.791 -5.047 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.750 1.385 -6.085 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.010 -0.532 -4.946 1.00 0.00 N ATOM 0 H ASN A 48 -2.226 -0.222 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.519 2.410 -3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.205 0.971 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.943 2.486 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.732 -1.098 -5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.262 -0.983 -4.066 1.00 0.00 H new ATOM 752 N PHE A 49 -2.531 2.265 -0.493 1.00 0.00 N ATOM 753 CA PHE A 49 -2.939 3.026 0.685 1.00 0.00 C ATOM 754 C PHE A 49 -1.819 3.927 1.187 1.00 0.00 C ATOM 755 O PHE A 49 -2.071 5.049 1.627 1.00 0.00 O ATOM 756 CB PHE A 49 -3.393 2.083 1.798 1.00 0.00 C ATOM 757 CG PHE A 49 -4.710 1.420 1.516 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.780 0.313 0.687 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.879 1.905 2.080 1.00 0.00 C ATOM 760 CE1 PHE A 49 -5.991 -0.298 0.425 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.092 1.299 1.822 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.148 0.196 0.994 1.00 0.00 C ATOM 0 H PHE A 49 -2.086 1.371 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.774 3.662 0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.633 1.316 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.468 2.643 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.878 -0.077 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.841 2.767 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.033 -1.160 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.996 1.687 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.096 -0.280 0.791 1.00 0.00 H new ATOM 772 N GLN A 50 -0.588 3.428 1.127 1.00 0.00 N ATOM 773 CA GLN A 50 0.575 4.190 1.573 1.00 0.00 C ATOM 774 C GLN A 50 0.565 4.351 3.086 1.00 0.00 C ATOM 775 O GLN A 50 0.818 5.433 3.615 1.00 0.00 O ATOM 776 CB GLN A 50 0.613 5.558 0.889 1.00 0.00 C ATOM 777 CG GLN A 50 1.855 5.763 0.050 1.00 0.00 C ATOM 778 CD GLN A 50 1.655 6.767 -1.070 1.00 0.00 C ATOM 779 OE1 GLN A 50 2.584 7.479 -1.453 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.441 6.826 -1.607 1.00 0.00 N ATOM 0 H GLN A 50 -0.369 2.497 0.773 1.00 0.00 H new ATOM 0 HA GLN A 50 1.473 3.638 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.268 5.667 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.560 6.339 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.669 6.100 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.161 4.807 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.300 6.218 -1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.251 7.479 -2.367 1.00 0.00 H new ATOM 789 N ASP A 51 0.278 3.255 3.772 1.00 0.00 N ATOM 790 CA ASP A 51 0.226 3.249 5.228 1.00 0.00 C ATOM 791 C ASP A 51 1.114 2.148 5.800 1.00 0.00 C ATOM 792 O ASP A 51 1.518 1.233 5.084 1.00 0.00 O ATOM 793 CB ASP A 51 -1.213 3.058 5.705 1.00 0.00 C ATOM 794 CG ASP A 51 -2.090 4.257 5.399 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.575 4.360 4.254 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.291 5.091 6.306 1.00 0.00 O ATOM 0 H ASP A 51 0.076 2.353 3.341 1.00 0.00 H new ATOM 0 HA ASP A 51 0.596 4.210 5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.635 2.172 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.215 2.875 6.780 1.00 0.00 H new ATOM 801 N GLU A 52 1.410 2.243 7.093 1.00 0.00 N ATOM 802 CA GLU A 52 2.253 1.256 7.762 1.00 0.00 C ATOM 803 C GLU A 52 1.619 -0.132 7.713 1.00 0.00 C ATOM 804 O GLU A 52 2.307 -1.131 7.500 1.00 0.00 O ATOM 805 CB GLU A 52 2.500 1.667 9.215 1.00 0.00 C ATOM 806 CG GLU A 52 1.225 1.864 10.020 1.00 0.00 C ATOM 807 CD GLU A 52 1.500 2.293 11.447 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.689 1.407 12.308 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.526 3.515 11.706 1.00 0.00 O ATOM 0 H GLU A 52 1.079 2.994 7.699 1.00 0.00 H new ATOM 0 HA GLU A 52 3.206 1.215 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.111 0.906 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.074 2.593 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.603 2.615 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.656 0.934 10.027 1.00 0.00 H new ATOM 816 N ARG A 53 0.306 -0.186 7.912 1.00 0.00 N ATOM 817 CA ARG A 53 -0.425 -1.449 7.889 1.00 0.00 C ATOM 818 C ARG A 53 -0.428 -2.048 6.485 1.00 0.00 C ATOM 819 O ARG A 53 -0.832 -3.193 6.287 1.00 0.00 O ATOM 820 CB ARG A 53 -1.864 -1.242 8.372 1.00 0.00 C ATOM 821 CG ARG A 53 -2.635 -2.537 8.575 1.00 0.00 C ATOM 822 CD ARG A 53 -3.966 -2.292 9.269 1.00 0.00 C ATOM 823 NE ARG A 53 -3.795 -1.665 10.578 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.500 -1.998 11.656 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.417 -2.954 11.585 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.288 -1.376 12.807 1.00 0.00 N ATOM 0 H ARG A 53 -0.275 0.633 8.092 1.00 0.00 H new ATOM 0 HA ARG A 53 0.078 -2.144 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.846 -0.689 9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.395 -0.623 7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.809 -3.013 7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.036 -3.229 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.590 -1.656 8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.493 -3.239 9.387 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.094 -0.929 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.583 -3.436 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.956 -3.207 12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.584 -0.641 12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.829 -1.632 13.633 1.00 0.00 H new ATOM 840 N ALA A 54 0.032 -1.263 5.515 1.00 0.00 N ATOM 841 CA ALA A 54 0.064 -1.703 4.129 1.00 0.00 C ATOM 842 C ALA A 54 1.477 -2.068 3.702 1.00 0.00 C ATOM 843 O ALA A 54 1.690 -2.608 2.618 1.00 0.00 O ATOM 844 CB ALA A 54 -0.492 -0.614 3.227 1.00 0.00 C ATOM 0 H ALA A 54 0.387 -0.319 5.666 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.556 -2.595 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.465 -0.951 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.522 -0.397 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.111 0.288 3.331 1.00 0.00 H new ATOM 850 N VAL A 55 2.437 -1.760 4.561 1.00 0.00 N ATOM 851 CA VAL A 55 3.834 -2.046 4.282 1.00 0.00 C ATOM 852 C VAL A 55 4.245 -3.414 4.824 1.00 0.00 C ATOM 853 O VAL A 55 5.036 -4.124 4.203 1.00 0.00 O ATOM 854 CB VAL A 55 4.743 -0.957 4.886 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.206 -1.331 4.743 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.469 0.388 4.229 1.00 0.00 C ATOM 0 H VAL A 55 2.272 -1.310 5.461 1.00 0.00 H new ATOM 0 HA VAL A 55 3.953 -2.055 3.199 1.00 0.00 H new ATOM 0 HB VAL A 55 4.517 -0.877 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.826 -0.547 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.394 -2.271 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.451 -1.445 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.119 1.146 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.664 0.317 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.427 0.666 4.390 1.00 0.00 H new ATOM 866 N GLU A 56 3.704 -3.779 5.984 1.00 0.00 N ATOM 867 CA GLU A 56 4.029 -5.059 6.611 1.00 0.00 C ATOM 868 C GLU A 56 3.656 -6.253 5.722 1.00 0.00 C ATOM 869 O GLU A 56 4.491 -7.124 5.479 1.00 0.00 O ATOM 870 CB GLU A 56 3.350 -5.191 7.977 1.00 0.00 C ATOM 871 CG GLU A 56 3.855 -6.376 8.782 1.00 0.00 C ATOM 872 CD GLU A 56 2.878 -6.811 9.855 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.882 -6.203 10.946 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.107 -7.762 9.606 1.00 0.00 O ATOM 0 H GLU A 56 3.040 -3.209 6.508 1.00 0.00 H new ATOM 0 HA GLU A 56 5.110 -5.072 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.513 -4.276 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.274 -5.289 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.046 -7.212 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.806 -6.116 9.246 1.00 0.00 H new ATOM 881 N PRO A 57 2.398 -6.320 5.224 1.00 0.00 N ATOM 882 CA PRO A 57 1.948 -7.433 4.374 1.00 0.00 C ATOM 883 C PRO A 57 2.832 -7.640 3.159 1.00 0.00 C ATOM 884 O PRO A 57 2.804 -8.699 2.533 1.00 0.00 O ATOM 885 CB PRO A 57 0.547 -7.013 3.937 1.00 0.00 C ATOM 886 CG PRO A 57 0.091 -6.066 4.991 1.00 0.00 C ATOM 887 CD PRO A 57 1.322 -5.331 5.434 1.00 0.00 C ATOM 0 HA PRO A 57 1.979 -8.380 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.564 -6.536 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.119 -7.873 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.658 -5.377 4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.369 -6.598 5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.485 -4.427 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.255 -5.025 6.478 1.00 0.00 H new ATOM 895 N LEU A 58 3.618 -6.628 2.832 1.00 0.00 N ATOM 896 CA LEU A 58 4.506 -6.702 1.687 1.00 0.00 C ATOM 897 C LEU A 58 5.829 -7.353 2.065 1.00 0.00 C ATOM 898 O LEU A 58 6.414 -8.096 1.279 1.00 0.00 O ATOM 899 CB LEU A 58 4.755 -5.305 1.122 1.00 0.00 C ATOM 900 CG LEU A 58 3.514 -4.418 1.003 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.857 -3.113 0.303 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.402 -5.145 0.263 1.00 0.00 C ATOM 0 H LEU A 58 3.658 -5.747 3.344 1.00 0.00 H new ATOM 0 HA LEU A 58 4.026 -7.316 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.484 -4.799 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.206 -5.405 0.135 1.00 0.00 H new ATOM 0 HG LEU A 58 3.161 -4.188 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.963 -2.495 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.618 -2.582 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.237 -3.325 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.529 -4.496 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.743 -5.409 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.136 -6.052 0.806 1.00 0.00 H new ATOM 914 N ILE A 59 6.289 -7.079 3.278 1.00 0.00 N ATOM 915 CA ILE A 59 7.549 -7.628 3.759 1.00 0.00 C ATOM 916 C ILE A 59 7.523 -9.155 3.802 1.00 0.00 C ATOM 917 O ILE A 59 8.399 -9.814 3.244 1.00 0.00 O ATOM 918 CB ILE A 59 7.901 -7.087 5.160 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.998 -5.557 5.137 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.204 -7.701 5.657 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.092 -5.023 4.234 1.00 0.00 C ATOM 0 H ILE A 59 5.808 -6.479 3.948 1.00 0.00 H new ATOM 0 HA ILE A 59 8.314 -7.310 3.050 1.00 0.00 H new ATOM 0 HB ILE A 59 7.105 -7.369 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.041 -5.147 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.171 -5.199 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.437 -7.308 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.098 -8.784 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.010 -7.450 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.096 -3.934 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.058 -5.402 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.910 -5.349 3.210 1.00 0.00 H new ATOM 933 N LYS A 60 6.517 -9.711 4.470 1.00 0.00 N ATOM 934 CA LYS A 60 6.396 -11.162 4.603 1.00 0.00 C ATOM 935 C LYS A 60 6.034 -11.834 3.279 1.00 0.00 C ATOM 936 O LYS A 60 6.140 -13.053 3.145 1.00 0.00 O ATOM 937 CB LYS A 60 5.345 -11.502 5.664 1.00 0.00 C ATOM 938 CG LYS A 60 5.326 -12.972 6.057 1.00 0.00 C ATOM 939 CD LYS A 60 6.626 -13.391 6.732 1.00 0.00 C ATOM 940 CE LYS A 60 6.809 -12.701 8.074 1.00 0.00 C ATOM 941 NZ LYS A 60 8.100 -13.071 8.717 1.00 0.00 N ATOM 0 H LYS A 60 5.775 -9.182 4.927 1.00 0.00 H new ATOM 0 HA LYS A 60 7.369 -11.545 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.531 -10.900 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.360 -11.222 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.490 -13.158 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.163 -13.584 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.630 -14.472 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.467 -13.152 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.769 -11.621 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.984 -12.968 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.187 -12.580 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.128 -14.099 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.888 -12.793 8.098 1.00 0.00 H new ATOM 955 N LEU A 61 5.612 -11.038 2.305 1.00 0.00 N ATOM 956 CA LEU A 61 5.195 -11.569 1.008 1.00 0.00 C ATOM 957 C LEU A 61 6.332 -11.676 -0.007 1.00 0.00 C ATOM 958 O LEU A 61 6.376 -12.621 -0.792 1.00 0.00 O ATOM 959 CB LEU A 61 4.080 -10.698 0.438 1.00 0.00 C ATOM 960 CG LEU A 61 2.693 -11.335 0.445 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.330 -11.840 1.836 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.657 -10.348 -0.046 1.00 0.00 C ATOM 0 H LEU A 61 5.548 -10.023 2.386 1.00 0.00 H new ATOM 0 HA LEU A 61 4.844 -12.586 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.039 -9.769 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.336 -10.433 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 61 2.710 -12.190 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.337 -12.289 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.058 -12.586 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.335 -11.006 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.673 -10.817 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.649 -9.474 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.901 -10.040 -1.063 1.00 0.00 H new ATOM 974 N LEU A 62 7.251 -10.722 0.013 1.00 0.00 N ATOM 975 CA LEU A 62 8.362 -10.708 -0.938 1.00 0.00 C ATOM 976 C LEU A 62 9.256 -11.923 -0.754 1.00 0.00 C ATOM 977 O LEU A 62 10.146 -12.181 -1.566 1.00 0.00 O ATOM 978 CB LEU A 62 9.172 -9.425 -0.775 1.00 0.00 C ATOM 979 CG LEU A 62 8.374 -8.139 -0.986 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.970 -7.002 -0.172 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.334 -7.775 -2.461 1.00 0.00 C ATOM 0 H LEU A 62 7.253 -9.946 0.675 1.00 0.00 H new ATOM 0 HA LEU A 62 7.949 -10.744 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.605 -9.409 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.002 -9.442 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 62 7.353 -8.307 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.389 -6.094 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.948 -7.262 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.001 -6.833 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.762 -6.857 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.350 -7.626 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.861 -8.581 -3.022 1.00 0.00 H new ATOM 993 N GLU A 63 9.014 -12.667 0.315 1.00 0.00 N ATOM 994 CA GLU A 63 9.799 -13.853 0.608 1.00 0.00 C ATOM 995 C GLU A 63 8.966 -15.124 0.453 1.00 0.00 C ATOM 996 O GLU A 63 9.505 -16.230 0.445 1.00 0.00 O ATOM 997 CB GLU A 63 10.370 -13.756 2.020 1.00 0.00 C ATOM 998 CG GLU A 63 9.327 -13.468 3.088 1.00 0.00 C ATOM 999 CD GLU A 63 9.936 -13.319 4.469 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.262 -14.354 5.088 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.089 -12.169 4.930 1.00 0.00 O ATOM 0 H GLU A 63 8.279 -12.469 0.994 1.00 0.00 H new ATOM 0 HA GLU A 63 10.619 -13.909 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.875 -14.691 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.125 -12.971 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.791 -12.555 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.594 -14.275 3.103 1.00 0.00 H new ATOM 1008 N ASP A 64 7.653 -14.957 0.330 1.00 0.00 N ATOM 1009 CA ASP A 64 6.750 -16.093 0.175 1.00 0.00 C ATOM 1010 C ASP A 64 7.071 -16.881 -1.090 1.00 0.00 C ATOM 1011 O ASP A 64 6.907 -18.100 -1.139 1.00 0.00 O ATOM 1012 CB ASP A 64 5.295 -15.617 0.145 1.00 0.00 C ATOM 1013 CG ASP A 64 4.337 -16.652 0.702 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.109 -17.675 0.026 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.816 -16.438 1.817 1.00 0.00 O ATOM 0 H ASP A 64 7.191 -14.048 0.335 1.00 0.00 H new ATOM 0 HA ASP A 64 6.889 -16.753 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.205 -14.696 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.014 -15.381 -0.881 1.00 0.00 H new ATOM 1020 N ASP A 65 7.534 -16.163 -2.100 1.00 0.00 N ATOM 1021 CA ASP A 65 7.896 -16.758 -3.390 1.00 0.00 C ATOM 1022 C ASP A 65 6.809 -17.705 -3.904 1.00 0.00 C ATOM 1023 O ASP A 65 7.098 -18.670 -4.613 1.00 0.00 O ATOM 1024 CB ASP A 65 9.227 -17.505 -3.267 1.00 0.00 C ATOM 1025 CG ASP A 65 9.811 -17.879 -4.617 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.365 -16.986 -5.291 1.00 0.00 O ATOM 1027 OD2 ASP A 65 9.717 -19.065 -4.998 1.00 0.00 O ATOM 0 H ASP A 65 7.672 -15.153 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 65 7.998 -15.948 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.940 -16.883 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.079 -18.409 -2.676 1.00 0.00 H new ATOM 1032 N SER A 66 5.559 -17.421 -3.555 1.00 0.00 N ATOM 1033 CA SER A 66 4.436 -18.255 -3.981 1.00 0.00 C ATOM 1034 C SER A 66 3.920 -17.836 -5.356 1.00 0.00 C ATOM 1035 O SER A 66 3.520 -18.676 -6.164 1.00 0.00 O ATOM 1036 CB SER A 66 3.296 -18.166 -2.965 1.00 0.00 C ATOM 1037 OG SER A 66 2.272 -19.097 -3.263 1.00 0.00 O ATOM 0 H SER A 66 5.296 -16.621 -2.979 1.00 0.00 H new ATOM 0 HA SER A 66 4.795 -19.282 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.682 -18.354 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.885 -17.157 -2.963 1.00 0.00 H new ATOM 0 HG SER A 66 1.556 -19.020 -2.598 1.00 0.00 H new ATOM 1043 N GLY A 67 3.939 -16.533 -5.615 1.00 0.00 N ATOM 1044 CA GLY A 67 3.451 -16.009 -6.880 1.00 0.00 C ATOM 1045 C GLY A 67 2.481 -14.868 -6.658 1.00 0.00 C ATOM 1046 O GLY A 67 2.895 -13.728 -6.466 1.00 0.00 O ATOM 0 H GLY A 67 4.286 -15.825 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.291 -15.664 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.960 -16.804 -7.442 1.00 0.00 H new ATOM 1050 N PHE A 68 1.186 -15.167 -6.684 1.00 0.00 N ATOM 1051 CA PHE A 68 0.169 -14.150 -6.438 1.00 0.00 C ATOM 1052 C PHE A 68 0.475 -13.476 -5.106 1.00 0.00 C ATOM 1053 O PHE A 68 0.221 -12.287 -4.910 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.217 -14.807 -6.396 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.399 -13.871 -6.530 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.252 -12.487 -6.613 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.678 -14.401 -6.577 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.362 -11.668 -6.738 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.785 -13.585 -6.701 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.626 -12.218 -6.782 1.00 0.00 C ATOM 0 H PHE A 68 0.817 -16.099 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 68 0.175 -13.407 -7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.271 -15.546 -7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.312 -15.348 -5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.265 -12.050 -6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.812 -15.471 -6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.238 -10.597 -6.801 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.774 -14.017 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.491 -11.578 -6.880 1.00 0.00 H new ATOM 1070 N VAL A 69 1.035 -14.268 -4.197 1.00 0.00 N ATOM 1071 CA VAL A 69 1.413 -13.800 -2.872 1.00 0.00 C ATOM 1072 C VAL A 69 2.666 -12.922 -2.936 1.00 0.00 C ATOM 1073 O VAL A 69 2.634 -11.750 -2.558 1.00 0.00 O ATOM 1074 CB VAL A 69 1.677 -14.992 -1.926 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.830 -14.523 -0.488 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.563 -16.021 -2.042 1.00 0.00 C ATOM 0 H VAL A 69 1.239 -15.254 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 69 0.583 -13.208 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 69 2.613 -15.463 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.015 -15.382 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.668 -13.830 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.916 -14.021 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.765 -16.854 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.388 -15.560 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.512 -16.388 -3.067 1.00 0.00 H new ATOM 1086 N ARG A 70 3.763 -13.498 -3.427 1.00 0.00 N ATOM 1087 CA ARG A 70 5.036 -12.784 -3.531 1.00 0.00 C ATOM 1088 C ARG A 70 4.984 -11.691 -4.595 1.00 0.00 C ATOM 1089 O ARG A 70 5.131 -10.508 -4.285 1.00 0.00 O ATOM 1090 CB ARG A 70 6.162 -13.771 -3.847 1.00 0.00 C ATOM 1091 CG ARG A 70 7.560 -13.193 -3.670 1.00 0.00 C ATOM 1092 CD ARG A 70 8.040 -12.489 -4.931 1.00 0.00 C ATOM 1093 NE ARG A 70 8.010 -13.376 -6.091 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.062 -14.069 -6.517 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.229 -13.960 -5.895 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.948 -14.868 -7.570 1.00 0.00 N ATOM 0 H ARG A 70 3.796 -14.461 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 70 5.230 -12.304 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.057 -14.644 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.050 -14.117 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.561 -12.489 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.255 -13.992 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.413 -11.618 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.055 -12.123 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 70 7.133 -13.469 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.321 -13.343 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.034 -14.493 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.053 -14.951 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.755 -15.399 -7.897 1.00 0.00 H new ATOM 1110 N SER A 71 4.787 -12.095 -5.850 1.00 0.00 N ATOM 1111 CA SER A 71 4.718 -11.148 -6.961 1.00 0.00 C ATOM 1112 C SER A 71 3.716 -10.043 -6.666 1.00 0.00 C ATOM 1113 O SER A 71 3.809 -8.941 -7.208 1.00 0.00 O ATOM 1114 CB SER A 71 4.331 -11.867 -8.251 1.00 0.00 C ATOM 1115 OG SER A 71 4.414 -10.997 -9.367 1.00 0.00 O ATOM 0 H SER A 71 4.673 -13.071 -6.122 1.00 0.00 H new ATOM 0 HA SER A 71 5.704 -10.701 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.988 -12.723 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.316 -12.255 -8.164 1.00 0.00 H new ATOM 0 HG SER A 71 4.163 -11.483 -10.180 1.00 0.00 H new ATOM 1121 N GLY A 72 2.753 -10.348 -5.804 1.00 0.00 N ATOM 1122 CA GLY A 72 1.753 -9.370 -5.438 1.00 0.00 C ATOM 1123 C GLY A 72 2.364 -8.185 -4.726 1.00 0.00 C ATOM 1124 O GLY A 72 2.274 -7.053 -5.198 1.00 0.00 O ATOM 0 H GLY A 72 2.649 -11.257 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.233 -9.028 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.007 -9.836 -4.795 1.00 0.00 H new ATOM 1128 N ALA A 73 2.983 -8.446 -3.584 1.00 0.00 N ATOM 1129 CA ALA A 73 3.625 -7.395 -2.813 1.00 0.00 C ATOM 1130 C ALA A 73 4.761 -6.755 -3.603 1.00 0.00 C ATOM 1131 O ALA A 73 5.106 -5.598 -3.380 1.00 0.00 O ATOM 1132 CB ALA A 73 4.146 -7.950 -1.500 1.00 0.00 C ATOM 0 H ALA A 73 3.054 -9.376 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 73 2.882 -6.626 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.625 -7.152 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.316 -8.359 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.872 -8.738 -1.701 1.00 0.00 H new ATOM 1138 N ALA A 74 5.328 -7.512 -4.542 1.00 0.00 N ATOM 1139 CA ALA A 74 6.434 -7.020 -5.357 1.00 0.00 C ATOM 1140 C ALA A 74 6.088 -5.686 -6.003 1.00 0.00 C ATOM 1141 O ALA A 74 6.886 -4.749 -5.980 1.00 0.00 O ATOM 1142 CB ALA A 74 6.803 -8.040 -6.421 1.00 0.00 C ATOM 0 H ALA A 74 5.039 -8.467 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 74 7.292 -6.867 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.629 -7.658 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.102 -8.973 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.942 -8.222 -7.064 1.00 0.00 H new ATOM 1148 N ARG A 75 4.894 -5.608 -6.576 1.00 0.00 N ATOM 1149 CA ARG A 75 4.442 -4.387 -7.224 1.00 0.00 C ATOM 1150 C ARG A 75 3.904 -3.397 -6.197 1.00 0.00 C ATOM 1151 O ARG A 75 4.002 -2.184 -6.381 1.00 0.00 O ATOM 1152 CB ARG A 75 3.364 -4.704 -8.263 1.00 0.00 C ATOM 1153 CG ARG A 75 2.214 -5.528 -7.708 1.00 0.00 C ATOM 1154 CD ARG A 75 1.132 -5.758 -8.749 1.00 0.00 C ATOM 1155 NE ARG A 75 1.675 -6.283 -9.998 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.126 -6.062 -11.190 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.031 -5.321 -11.292 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.673 -6.581 -12.280 1.00 0.00 N ATOM 0 H ARG A 75 4.223 -6.376 -6.605 1.00 0.00 H new ATOM 0 HA ARG A 75 5.295 -3.933 -7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.971 -3.770 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.819 -5.242 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.591 -6.489 -7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.786 -5.019 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.392 -6.455 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.613 -4.820 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 75 2.522 -6.850 -9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.392 -4.919 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.388 -5.153 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.516 -7.151 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.251 -6.411 -13.193 1.00 0.00 H new ATOM 1172 N SER A 76 3.343 -3.928 -5.114 1.00 0.00 N ATOM 1173 CA SER A 76 2.780 -3.100 -4.053 1.00 0.00 C ATOM 1174 C SER A 76 3.792 -2.074 -3.553 1.00 0.00 C ATOM 1175 O SER A 76 3.455 -0.908 -3.349 1.00 0.00 O ATOM 1176 CB SER A 76 2.314 -3.976 -2.892 1.00 0.00 C ATOM 1177 OG SER A 76 1.481 -5.026 -3.352 1.00 0.00 O ATOM 0 H SER A 76 3.266 -4.932 -4.948 1.00 0.00 H new ATOM 0 HA SER A 76 1.927 -2.563 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.179 -4.392 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.773 -3.368 -2.167 1.00 0.00 H new ATOM 0 HG SER A 76 0.848 -5.274 -2.646 1.00 0.00 H new ATOM 1183 N LEU A 77 5.032 -2.514 -3.350 1.00 0.00 N ATOM 1184 CA LEU A 77 6.084 -1.623 -2.878 1.00 0.00 C ATOM 1185 C LEU A 77 6.225 -0.415 -3.798 1.00 0.00 C ATOM 1186 O LEU A 77 6.070 0.728 -3.366 1.00 0.00 O ATOM 1187 CB LEU A 77 7.417 -2.370 -2.783 1.00 0.00 C ATOM 1188 CG LEU A 77 7.643 -3.138 -1.479 1.00 0.00 C ATOM 1189 CD1 LEU A 77 6.757 -4.365 -1.421 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.103 -3.534 -1.328 1.00 0.00 C ATOM 0 H LEU A 77 5.330 -3.477 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 77 5.807 -1.270 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.482 -3.071 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.227 -1.652 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 77 7.379 -2.479 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.933 -4.897 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.711 -4.062 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.988 -5.021 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.238 -4.079 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.396 -4.170 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.724 -2.638 -1.319 1.00 0.00 H new ATOM 1202 N GLU A 78 6.523 -0.676 -5.067 1.00 0.00 N ATOM 1203 CA GLU A 78 6.676 0.385 -6.056 1.00 0.00 C ATOM 1204 C GLU A 78 5.464 1.317 -6.069 1.00 0.00 C ATOM 1205 O GLU A 78 5.594 2.507 -6.359 1.00 0.00 O ATOM 1206 CB GLU A 78 6.892 -0.214 -7.445 1.00 0.00 C ATOM 1207 CG GLU A 78 8.035 -1.213 -7.500 1.00 0.00 C ATOM 1208 CD GLU A 78 8.400 -1.604 -8.918 1.00 0.00 C ATOM 1209 OE1 GLU A 78 9.129 -0.832 -9.577 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.958 -2.680 -9.370 1.00 0.00 O ATOM 0 H GLU A 78 6.664 -1.617 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 78 7.550 0.974 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.974 -0.705 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.088 0.591 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.909 -0.787 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.759 -2.107 -6.940 1.00 0.00 H new ATOM 1217 N GLN A 79 4.285 0.776 -5.761 1.00 0.00 N ATOM 1218 CA GLN A 79 3.067 1.583 -5.737 1.00 0.00 C ATOM 1219 C GLN A 79 3.168 2.666 -4.668 1.00 0.00 C ATOM 1220 O GLN A 79 2.692 3.785 -4.855 1.00 0.00 O ATOM 1221 CB GLN A 79 1.833 0.711 -5.485 1.00 0.00 C ATOM 1222 CG GLN A 79 1.528 -0.261 -6.613 1.00 0.00 C ATOM 1223 CD GLN A 79 0.092 -0.752 -6.590 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.789 -0.153 -7.207 1.00 0.00 O ATOM 1225 NE2 GLN A 79 -0.154 -1.845 -5.875 1.00 0.00 N ATOM 0 H GLN A 79 4.149 -0.207 -5.527 1.00 0.00 H new ATOM 0 HA GLN A 79 2.959 2.056 -6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.979 0.149 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.969 1.357 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.727 0.224 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.201 -1.115 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.605 -2.311 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.102 -2.218 -5.823 1.00 0.00 H new ATOM 1234 N ILE A 80 3.792 2.320 -3.546 1.00 0.00 N ATOM 1235 CA ILE A 80 3.971 3.260 -2.446 1.00 0.00 C ATOM 1236 C ILE A 80 5.003 4.322 -2.812 1.00 0.00 C ATOM 1237 O ILE A 80 4.727 5.520 -2.748 1.00 0.00 O ATOM 1238 CB ILE A 80 4.414 2.533 -1.159 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.402 1.446 -0.790 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.579 3.524 -0.014 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.826 0.594 0.389 1.00 0.00 C ATOM 0 H ILE A 80 4.183 1.393 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 80 3.010 3.740 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 80 5.379 2.060 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.445 1.915 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.243 0.801 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.892 2.993 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.334 4.264 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.629 4.025 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.060 -0.154 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.767 0.096 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.957 1.227 1.267 1.00 0.00 H new ATOM 1253 N GLY A 81 6.193 3.870 -3.195 1.00 0.00 N ATOM 1254 CA GLY A 81 7.255 4.783 -3.581 1.00 0.00 C ATOM 1255 C GLY A 81 7.707 5.687 -2.457 1.00 0.00 C ATOM 1256 O GLY A 81 7.250 5.562 -1.320 1.00 0.00 O ATOM 0 H GLY A 81 6.442 2.882 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.108 4.206 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.912 5.396 -4.415 1.00 0.00 H new ATOM 1260 N GLY A 82 8.613 6.604 -2.782 1.00 0.00 N ATOM 1261 CA GLY A 82 9.125 7.528 -1.792 1.00 0.00 C ATOM 1262 C GLY A 82 10.079 6.863 -0.823 1.00 0.00 C ATOM 1263 O GLY A 82 10.185 5.636 -0.788 1.00 0.00 O ATOM 0 H GLY A 82 9.002 6.722 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.636 8.349 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.292 7.962 -1.238 1.00 0.00 H new ATOM 1267 N GLU A 83 10.776 7.675 -0.038 1.00 0.00 N ATOM 1268 CA GLU A 83 11.724 7.169 0.946 1.00 0.00 C ATOM 1269 C GLU A 83 11.044 6.184 1.895 1.00 0.00 C ATOM 1270 O GLU A 83 11.703 5.361 2.532 1.00 0.00 O ATOM 1271 CB GLU A 83 12.331 8.330 1.740 1.00 0.00 C ATOM 1272 CG GLU A 83 13.295 7.889 2.830 1.00 0.00 C ATOM 1273 CD GLU A 83 13.811 9.048 3.657 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.098 9.475 4.591 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.927 9.531 3.373 1.00 0.00 O ATOM 0 H GLU A 83 10.702 8.692 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 83 12.520 6.645 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.854 8.994 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.526 8.909 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.795 7.175 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.138 7.369 2.375 1.00 0.00 H new ATOM 1282 N ARG A 84 9.721 6.275 1.978 1.00 0.00 N ATOM 1283 CA ARG A 84 8.945 5.414 2.863 1.00 0.00 C ATOM 1284 C ARG A 84 9.119 3.947 2.497 1.00 0.00 C ATOM 1285 O ARG A 84 9.670 3.165 3.271 1.00 0.00 O ATOM 1286 CB ARG A 84 7.455 5.775 2.796 1.00 0.00 C ATOM 1287 CG ARG A 84 7.154 7.261 2.938 1.00 0.00 C ATOM 1288 CD ARG A 84 7.269 7.995 1.609 1.00 0.00 C ATOM 1289 NE ARG A 84 6.440 9.195 1.571 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.559 10.146 0.648 1.00 0.00 C ATOM 1291 NH1 ARG A 84 7.475 10.038 -0.306 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.763 11.206 0.678 1.00 0.00 N ATOM 0 H ARG A 84 9.162 6.939 1.441 1.00 0.00 H new ATOM 0 HA ARG A 84 9.314 5.571 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.053 5.426 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.928 5.235 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.148 7.391 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.843 7.703 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.310 8.268 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.976 7.326 0.800 1.00 0.00 H new ATOM 0 HE ARG A 84 5.729 9.312 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.090 9.225 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.564 10.768 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.058 11.294 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.856 11.934 -0.031 1.00 0.00 H new ATOM 1306 N VAL A 85 8.643 3.578 1.315 1.00 0.00 N ATOM 1307 CA VAL A 85 8.758 2.207 0.847 1.00 0.00 C ATOM 1308 C VAL A 85 10.206 1.891 0.505 1.00 0.00 C ATOM 1309 O VAL A 85 10.620 0.733 0.496 1.00 0.00 O ATOM 1310 CB VAL A 85 7.860 1.948 -0.377 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.523 2.429 -1.659 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.496 0.475 -0.471 1.00 0.00 C ATOM 0 H VAL A 85 8.175 4.209 0.665 1.00 0.00 H new ATOM 0 HA VAL A 85 8.424 1.552 1.652 1.00 0.00 H new ATOM 0 HB VAL A 85 6.941 2.519 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.865 2.232 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.715 3.500 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.465 1.900 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.861 0.312 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.405 -0.119 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.961 0.174 0.430 1.00 0.00 H new ATOM 1322 N ARG A 86 10.966 2.945 0.222 1.00 0.00 N ATOM 1323 CA ARG A 86 12.378 2.806 -0.130 1.00 0.00 C ATOM 1324 C ARG A 86 13.142 2.028 0.940 1.00 0.00 C ATOM 1325 O ARG A 86 14.225 1.500 0.683 1.00 0.00 O ATOM 1326 CB ARG A 86 13.018 4.183 -0.323 1.00 0.00 C ATOM 1327 CG ARG A 86 14.444 4.121 -0.851 1.00 0.00 C ATOM 1328 CD ARG A 86 15.084 5.499 -0.909 1.00 0.00 C ATOM 1329 NE ARG A 86 15.317 6.054 0.421 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.326 6.870 0.715 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.196 7.222 -0.223 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.468 7.334 1.950 1.00 0.00 N ATOM 0 H ARG A 86 10.628 3.907 0.229 1.00 0.00 H new ATOM 0 HA ARG A 86 12.433 2.249 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.408 4.765 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.014 4.713 0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.040 3.470 -0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.444 3.678 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.031 5.436 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.441 6.173 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 86 14.669 5.802 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.093 6.867 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.968 7.848 0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.803 7.065 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.242 7.959 2.174 1.00 0.00 H new ATOM 1346 N ALA A 87 12.572 1.959 2.139 1.00 0.00 N ATOM 1347 CA ALA A 87 13.199 1.246 3.245 1.00 0.00 C ATOM 1348 C ALA A 87 12.968 -0.253 3.119 1.00 0.00 C ATOM 1349 O ALA A 87 13.841 -1.056 3.447 1.00 0.00 O ATOM 1350 CB ALA A 87 12.666 1.755 4.575 1.00 0.00 C ATOM 0 H ALA A 87 11.676 2.389 2.369 1.00 0.00 H new ATOM 0 HA ALA A 87 14.272 1.431 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.144 1.212 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.883 2.819 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.588 1.599 4.619 1.00 0.00 H new ATOM 1356 N ALA A 88 11.781 -0.621 2.642 1.00 0.00 N ATOM 1357 CA ALA A 88 11.433 -2.021 2.463 1.00 0.00 C ATOM 1358 C ALA A 88 12.420 -2.703 1.524 1.00 0.00 C ATOM 1359 O ALA A 88 12.752 -3.874 1.705 1.00 0.00 O ATOM 1360 CB ALA A 88 10.013 -2.149 1.935 1.00 0.00 C ATOM 0 H ALA A 88 11.047 0.034 2.374 1.00 0.00 H new ATOM 0 HA ALA A 88 11.487 -2.518 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.766 -3.203 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.319 -1.698 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.934 -1.638 0.976 1.00 0.00 H new ATOM 1366 N MET A 89 12.881 -1.962 0.518 1.00 0.00 N ATOM 1367 CA MET A 89 13.848 -2.495 -0.436 1.00 0.00 C ATOM 1368 C MET A 89 15.105 -2.927 0.292 1.00 0.00 C ATOM 1369 O MET A 89 15.471 -4.098 0.283 1.00 0.00 O ATOM 1370 CB MET A 89 14.220 -1.448 -1.486 1.00 0.00 C ATOM 1371 CG MET A 89 13.051 -0.610 -1.953 1.00 0.00 C ATOM 1372 SD MET A 89 11.674 -1.608 -2.542 1.00 0.00 S ATOM 1373 CE MET A 89 10.316 -0.492 -2.220 1.00 0.00 C ATOM 0 H MET A 89 12.602 -0.997 0.344 1.00 0.00 H new ATOM 0 HA MET A 89 13.390 -3.349 -0.935 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.985 -0.790 -1.074 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.661 -1.951 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.712 0.022 -1.133 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.381 0.054 -2.752 1.00 0.00 H new ATOM 0 HE1 MET A 89 9.722 -0.872 -1.389 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.707 0.493 -1.966 1.00 0.00 H new ATOM 0 HE3 MET A 89 9.689 -0.415 -3.109 1.00 0.00 H new ATOM 1383 N GLU A 90 15.764 -1.956 0.913 1.00 0.00 N ATOM 1384 CA GLU A 90 16.984 -2.212 1.668 1.00 0.00 C ATOM 1385 C GLU A 90 16.778 -3.346 2.669 1.00 0.00 C ATOM 1386 O GLU A 90 17.681 -4.150 2.903 1.00 0.00 O ATOM 1387 CB GLU A 90 17.425 -0.947 2.406 1.00 0.00 C ATOM 1388 CG GLU A 90 17.502 0.283 1.516 1.00 0.00 C ATOM 1389 CD GLU A 90 17.999 1.509 2.255 1.00 0.00 C ATOM 1390 OE1 GLU A 90 19.231 1.714 2.304 1.00 0.00 O ATOM 1391 OE2 GLU A 90 17.158 2.263 2.787 1.00 0.00 O ATOM 0 H GLU A 90 15.472 -0.979 0.908 1.00 0.00 H new ATOM 0 HA GLU A 90 17.761 -2.507 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.729 -0.751 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.403 -1.121 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.164 0.077 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.515 0.489 1.101 1.00 0.00 H new ATOM 1398 N LYS A 91 15.585 -3.406 3.256 1.00 0.00 N ATOM 1399 CA LYS A 91 15.269 -4.444 4.235 1.00 0.00 C ATOM 1400 C LYS A 91 15.066 -5.800 3.569 1.00 0.00 C ATOM 1401 O LYS A 91 15.304 -6.839 4.185 1.00 0.00 O ATOM 1402 CB LYS A 91 14.024 -4.065 5.040 1.00 0.00 C ATOM 1403 CG LYS A 91 14.264 -2.952 6.051 1.00 0.00 C ATOM 1404 CD LYS A 91 15.307 -3.343 7.091 1.00 0.00 C ATOM 1405 CE LYS A 91 14.858 -4.534 7.927 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.608 -4.245 8.681 1.00 0.00 N ATOM 0 H LYS A 91 14.824 -2.752 3.072 1.00 0.00 H new ATOM 0 HA LYS A 91 16.120 -4.524 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.238 -3.755 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.659 -4.948 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.591 -2.052 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.327 -2.708 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.245 -3.584 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.503 -2.494 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.699 -5.394 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.649 -4.805 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.447 -4.993 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.698 -3.328 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.805 -4.212 8.021 1.00 0.00 H new ATOM 1420 N LEU A 92 14.629 -5.793 2.315 1.00 0.00 N ATOM 1421 CA LEU A 92 14.412 -7.024 1.589 1.00 0.00 C ATOM 1422 C LEU A 92 15.718 -7.471 0.936 1.00 0.00 C ATOM 1423 O LEU A 92 15.938 -8.659 0.710 1.00 0.00 O ATOM 1424 CB LEU A 92 13.302 -6.819 0.552 1.00 0.00 C ATOM 1425 CG LEU A 92 13.436 -7.646 -0.720 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.230 -9.126 -0.425 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.445 -7.171 -1.770 1.00 0.00 C ATOM 0 H LEU A 92 14.420 -4.946 1.786 1.00 0.00 H new ATOM 0 HA LEU A 92 14.093 -7.811 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.345 -7.053 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.274 -5.764 0.278 1.00 0.00 H new ATOM 0 HG LEU A 92 14.445 -7.512 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.330 -9.698 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.978 -9.461 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.234 -9.279 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.554 -7.773 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.430 -7.274 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.639 -6.125 -2.006 1.00 0.00 H new ATOM 1439 N ALA A 93 16.582 -6.503 0.646 1.00 0.00 N ATOM 1440 CA ALA A 93 17.877 -6.781 0.040 1.00 0.00 C ATOM 1441 C ALA A 93 18.691 -7.727 0.918 1.00 0.00 C ATOM 1442 O ALA A 93 19.526 -8.484 0.425 1.00 0.00 O ATOM 1443 CB ALA A 93 18.639 -5.485 -0.191 1.00 0.00 C ATOM 0 H ALA A 93 16.406 -5.514 0.823 1.00 0.00 H new ATOM 0 HA ALA A 93 17.710 -7.266 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.605 -5.707 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.066 -4.839 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.793 -4.979 0.762 1.00 0.00 H new ATOM 1449 N GLU A 94 18.436 -7.676 2.223 1.00 0.00 N ATOM 1450 CA GLU A 94 19.132 -8.533 3.176 1.00 0.00 C ATOM 1451 C GLU A 94 18.508 -9.919 3.172 1.00 0.00 C ATOM 1452 O GLU A 94 19.167 -10.916 3.468 1.00 0.00 O ATOM 1453 CB GLU A 94 19.060 -7.935 4.580 1.00 0.00 C ATOM 1454 CG GLU A 94 19.293 -6.436 4.604 1.00 0.00 C ATOM 1455 CD GLU A 94 20.686 -6.055 4.142 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.909 -5.991 2.914 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.555 -5.821 5.007 1.00 0.00 O ATOM 0 H GLU A 94 17.751 -7.049 2.644 1.00 0.00 H new ATOM 0 HA GLU A 94 20.179 -8.608 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.082 -8.151 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.802 -8.422 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.556 -5.947 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.135 -6.064 5.616 1.00 0.00 H new ATOM 1464 N THR A 95 17.226 -9.966 2.829 1.00 0.00 N ATOM 1465 CA THR A 95 16.494 -11.221 2.763 1.00 0.00 C ATOM 1466 C THR A 95 16.139 -11.526 1.315 1.00 0.00 C ATOM 1467 O THR A 95 15.156 -12.211 1.028 1.00 0.00 O ATOM 1468 CB THR A 95 15.205 -11.169 3.606 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.374 -10.088 3.168 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.531 -10.997 5.082 1.00 0.00 C ATOM 0 H THR A 95 16.671 -9.144 2.591 1.00 0.00 H new ATOM 0 HA THR A 95 17.133 -12.006 3.168 1.00 0.00 H new ATOM 0 HB THR A 95 14.674 -12.111 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.557 -10.064 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.606 -10.963 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.138 -11.836 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.083 -10.068 5.227 1.00 0.00 H new ATOM 1478 N GLY A 96 16.963 -11.005 0.412 1.00 0.00 N ATOM 1479 CA GLY A 96 16.746 -11.185 -1.008 1.00 0.00 C ATOM 1480 C GLY A 96 16.521 -12.625 -1.414 1.00 0.00 C ATOM 1481 O GLY A 96 17.379 -13.484 -1.209 1.00 0.00 O ATOM 0 H GLY A 96 17.789 -10.454 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.883 -10.593 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.607 -10.795 -1.550 1.00 0.00 H new ATOM 1485 N THR A 97 15.355 -12.880 -1.994 1.00 0.00 N ATOM 1486 CA THR A 97 14.997 -14.212 -2.460 1.00 0.00 C ATOM 1487 C THR A 97 14.210 -14.126 -3.765 1.00 0.00 C ATOM 1488 O THR A 97 13.251 -13.360 -3.871 1.00 0.00 O ATOM 1489 CB THR A 97 14.165 -14.976 -1.413 1.00 0.00 C ATOM 1490 OG1 THR A 97 13.696 -16.212 -1.964 1.00 0.00 O ATOM 1491 CG2 THR A 97 12.982 -14.140 -0.947 1.00 0.00 C ATOM 0 H THR A 97 14.636 -12.174 -2.153 1.00 0.00 H new ATOM 0 HA THR A 97 15.926 -14.757 -2.626 1.00 0.00 H new ATOM 0 HB THR A 97 14.804 -15.183 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.170 -16.691 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.409 -14.700 -0.208 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.344 -13.214 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.344 -13.906 -1.799 1.00 0.00 H new ATOM 1499 N GLY A 98 14.622 -14.910 -4.755 1.00 0.00 N ATOM 1500 CA GLY A 98 13.946 -14.896 -6.041 1.00 0.00 C ATOM 1501 C GLY A 98 14.222 -13.626 -6.823 1.00 0.00 C ATOM 1502 O GLY A 98 15.372 -13.203 -6.944 1.00 0.00 O ATOM 0 H GLY A 98 15.410 -15.554 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.267 -15.758 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.872 -14.998 -5.885 1.00 0.00 H new ATOM 1506 N PHE A 99 13.166 -13.015 -7.355 1.00 0.00 N ATOM 1507 CA PHE A 99 13.301 -11.786 -8.129 1.00 0.00 C ATOM 1508 C PHE A 99 13.070 -10.566 -7.243 1.00 0.00 C ATOM 1509 O PHE A 99 13.416 -9.443 -7.613 1.00 0.00 O ATOM 1510 CB PHE A 99 12.330 -11.804 -9.320 1.00 0.00 C ATOM 1511 CG PHE A 99 11.065 -11.006 -9.130 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.175 -11.294 -8.101 1.00 0.00 C ATOM 1513 CD2 PHE A 99 10.760 -9.970 -10.001 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.014 -10.561 -7.949 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.601 -9.236 -9.850 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.726 -9.531 -8.824 1.00 0.00 C ATOM 0 H PHE A 99 12.208 -13.352 -7.264 1.00 0.00 H new ATOM 0 HA PHE A 99 14.317 -11.723 -8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.851 -11.424 -10.199 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.060 -12.838 -9.532 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.394 -12.098 -7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.438 -9.735 -10.808 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.331 -10.793 -7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.379 -8.431 -10.535 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.818 -8.958 -8.705 1.00 0.00 H new ATOM 1526 N ALA A 100 12.483 -10.797 -6.071 1.00 0.00 N ATOM 1527 CA ALA A 100 12.211 -9.721 -5.126 1.00 0.00 C ATOM 1528 C ALA A 100 13.495 -8.982 -4.769 1.00 0.00 C ATOM 1529 O ALA A 100 13.495 -7.764 -4.596 1.00 0.00 O ATOM 1530 CB ALA A 100 11.549 -10.273 -3.872 1.00 0.00 C ATOM 0 H ALA A 100 12.187 -11.720 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 100 11.529 -9.013 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.352 -9.458 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.610 -10.757 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.211 -11.000 -3.401 1.00 0.00 H new ATOM 1536 N ARG A 101 14.589 -9.729 -4.660 1.00 0.00 N ATOM 1537 CA ARG A 101 15.882 -9.143 -4.335 1.00 0.00 C ATOM 1538 C ARG A 101 16.249 -8.074 -5.353 1.00 0.00 C ATOM 1539 O ARG A 101 16.420 -6.904 -5.010 1.00 0.00 O ATOM 1540 CB ARG A 101 16.960 -10.221 -4.317 1.00 0.00 C ATOM 1541 CG ARG A 101 18.344 -9.691 -3.976 1.00 0.00 C ATOM 1542 CD ARG A 101 19.280 -10.812 -3.560 1.00 0.00 C ATOM 1543 NE ARG A 101 20.628 -10.326 -3.279 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.547 -11.036 -2.633 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.254 -12.245 -2.174 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.759 -10.534 -2.438 1.00 0.00 N ATOM 0 H ARG A 101 14.605 -10.740 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 101 15.814 -8.687 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.684 -10.987 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.995 -10.704 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.759 -9.170 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.267 -8.961 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.881 -11.307 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.323 -11.561 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 101 20.878 -9.389 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.321 -12.632 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.961 -12.788 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.987 -9.602 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.463 -11.080 -1.942 1.00 0.00 H new ATOM 1560 N LYS A 102 16.372 -8.492 -6.609 1.00 0.00 N ATOM 1561 CA LYS A 102 16.706 -7.581 -7.694 1.00 0.00 C ATOM 1562 C LYS A 102 15.742 -6.402 -7.710 1.00 0.00 C ATOM 1563 O LYS A 102 16.113 -5.284 -8.061 1.00 0.00 O ATOM 1564 CB LYS A 102 16.659 -8.321 -9.035 1.00 0.00 C ATOM 1565 CG LYS A 102 16.504 -7.401 -10.236 1.00 0.00 C ATOM 1566 CD LYS A 102 16.603 -8.166 -11.545 1.00 0.00 C ATOM 1567 CE LYS A 102 16.280 -7.277 -12.734 1.00 0.00 C ATOM 1568 NZ LYS A 102 16.464 -7.989 -14.029 1.00 0.00 N ATOM 0 H LYS A 102 16.244 -9.461 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 102 17.716 -7.203 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.573 -8.904 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.830 -9.028 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.541 -6.893 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.274 -6.630 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.608 -8.572 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.917 -9.013 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.251 -6.927 -12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.920 -6.395 -12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.233 -7.347 -14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.452 -8.301 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.835 -8.817 -14.062 1.00 0.00 H new ATOM 1582 N VAL A 103 14.504 -6.666 -7.318 1.00 0.00 N ATOM 1583 CA VAL A 103 13.473 -5.640 -7.280 1.00 0.00 C ATOM 1584 C VAL A 103 13.827 -4.527 -6.296 1.00 0.00 C ATOM 1585 O VAL A 103 13.814 -3.355 -6.652 1.00 0.00 O ATOM 1586 CB VAL A 103 12.104 -6.248 -6.904 1.00 0.00 C ATOM 1587 CG1 VAL A 103 11.148 -5.179 -6.390 1.00 0.00 C ATOM 1588 CG2 VAL A 103 11.501 -6.972 -8.098 1.00 0.00 C ATOM 0 H VAL A 103 14.188 -7.589 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 103 13.410 -5.211 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 103 12.264 -6.968 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.193 -5.638 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.573 -4.706 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.993 -4.427 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.536 -7.395 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 103 11.364 -6.268 -8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 103 12.170 -7.772 -8.414 1.00 0.00 H new ATOM 1598 N ALA A 104 14.152 -4.903 -5.064 1.00 0.00 N ATOM 1599 CA ALA A 104 14.488 -3.936 -4.023 1.00 0.00 C ATOM 1600 C ALA A 104 15.636 -3.013 -4.425 1.00 0.00 C ATOM 1601 O ALA A 104 15.468 -1.798 -4.524 1.00 0.00 O ATOM 1602 CB ALA A 104 14.846 -4.669 -2.743 1.00 0.00 C ATOM 0 H ALA A 104 14.190 -5.876 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 104 13.610 -3.309 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.096 -3.945 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.997 -5.270 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.702 -5.319 -2.923 1.00 0.00 H new ATOM 1608 N VAL A 105 16.799 -3.606 -4.657 1.00 0.00 N ATOM 1609 CA VAL A 105 18.001 -2.854 -5.009 1.00 0.00 C ATOM 1610 C VAL A 105 17.822 -2.003 -6.264 1.00 0.00 C ATOM 1611 O VAL A 105 18.080 -0.801 -6.246 1.00 0.00 O ATOM 1612 CB VAL A 105 19.208 -3.798 -5.202 1.00 0.00 C ATOM 1613 CG1 VAL A 105 18.898 -4.880 -6.228 1.00 0.00 C ATOM 1614 CG2 VAL A 105 20.448 -3.013 -5.606 1.00 0.00 C ATOM 0 H VAL A 105 16.938 -4.615 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 105 18.189 -2.180 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 105 19.408 -4.286 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 105 19.765 -5.530 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.045 -5.469 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 105 18.661 -4.416 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 105 21.286 -3.698 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 105 20.258 -2.490 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 105 20.689 -2.289 -4.828 1.00 0.00 H new ATOM 1624 N ASN A 106 17.385 -2.626 -7.347 1.00 0.00 N ATOM 1625 CA ASN A 106 17.200 -1.924 -8.612 1.00 0.00 C ATOM 1626 C ASN A 106 16.159 -0.812 -8.507 1.00 0.00 C ATOM 1627 O ASN A 106 16.329 0.259 -9.088 1.00 0.00 O ATOM 1628 CB ASN A 106 16.794 -2.911 -9.706 1.00 0.00 C ATOM 1629 CG ASN A 106 16.572 -2.236 -11.045 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.221 -1.240 -11.366 1.00 0.00 O ATOM 1631 ND2 ASN A 106 15.651 -2.776 -11.833 1.00 0.00 N ATOM 0 H ASN A 106 17.151 -3.618 -7.378 1.00 0.00 H new ATOM 0 HA ASN A 106 18.153 -1.461 -8.868 1.00 0.00 H new ATOM 0 HB2 ASN A 106 17.568 -3.671 -9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.881 -3.425 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.457 -2.365 -12.746 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.137 -3.602 -11.526 1.00 0.00 H new ATOM 1638 N TYR A 107 15.085 -1.069 -7.769 1.00 0.00 N ATOM 1639 CA TYR A 107 14.018 -0.106 -7.619 1.00 0.00 C ATOM 1640 C TYR A 107 14.514 1.168 -6.946 1.00 0.00 C ATOM 1641 O TYR A 107 13.925 2.236 -7.106 1.00 0.00 O ATOM 1642 CB TYR A 107 12.887 -0.734 -6.820 1.00 0.00 C ATOM 1643 CG TYR A 107 11.829 0.245 -6.420 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.955 0.783 -7.352 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.722 0.639 -5.107 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.994 1.693 -6.976 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.765 1.552 -4.715 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.901 2.076 -5.656 1.00 0.00 C ATOM 1649 OH TYR A 107 8.945 2.985 -5.277 1.00 0.00 O ATOM 0 H TYR A 107 14.937 -1.944 -7.265 1.00 0.00 H new ATOM 0 HA TYR A 107 13.652 0.173 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 107 12.432 -1.529 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.299 -1.199 -5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.029 0.484 -8.387 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.397 0.227 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.317 2.104 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.692 1.854 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 107 9.268 3.893 -5.456 1.00 0.00 H new ATOM 1659 N LEU A 108 15.598 1.042 -6.189 1.00 0.00 N ATOM 1660 CA LEU A 108 16.181 2.174 -5.481 1.00 0.00 C ATOM 1661 C LEU A 108 16.464 3.338 -6.428 1.00 0.00 C ATOM 1662 O LEU A 108 16.553 4.490 -6.002 1.00 0.00 O ATOM 1663 CB LEU A 108 17.468 1.743 -4.779 1.00 0.00 C ATOM 1664 CG LEU A 108 17.277 0.815 -3.575 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.620 0.303 -3.078 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.536 1.534 -2.458 1.00 0.00 C ATOM 0 H LEU A 108 16.093 0.161 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 108 15.460 2.515 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.108 1.242 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.999 2.636 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 108 16.678 -0.039 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.465 -0.355 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.116 -0.250 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.243 1.146 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.410 0.859 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.109 2.406 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.557 1.853 -2.817 1.00 0.00 H new ATOM 1678 N GLU A 109 16.603 3.030 -7.714 1.00 0.00 N ATOM 1679 CA GLU A 109 16.873 4.051 -8.725 1.00 0.00 C ATOM 1680 C GLU A 109 15.605 4.827 -9.081 1.00 0.00 C ATOM 1681 O GLU A 109 15.604 5.635 -10.010 1.00 0.00 O ATOM 1682 CB GLU A 109 17.460 3.415 -9.987 1.00 0.00 C ATOM 1683 CG GLU A 109 18.757 2.661 -9.747 1.00 0.00 C ATOM 1684 CD GLU A 109 19.316 2.050 -11.016 1.00 0.00 C ATOM 1685 OE1 GLU A 109 19.905 2.796 -11.827 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.163 0.824 -11.202 1.00 0.00 O ATOM 0 H GLU A 109 16.533 2.081 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 109 17.598 4.748 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.726 2.731 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.636 4.195 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.494 3.340 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.585 1.873 -9.013 1.00 0.00 H new ATOM 1693 N THR A 110 14.526 4.575 -8.342 1.00 0.00 N ATOM 1694 CA THR A 110 13.254 5.247 -8.593 1.00 0.00 C ATOM 1695 C THR A 110 12.672 5.837 -7.311 1.00 0.00 C ATOM 1696 O THR A 110 12.328 7.018 -7.266 1.00 0.00 O ATOM 1697 CB THR A 110 12.223 4.284 -9.211 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.778 3.644 -10.367 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.952 5.025 -9.601 1.00 0.00 C ATOM 0 H THR A 110 14.508 3.912 -7.567 1.00 0.00 H new ATOM 0 HA THR A 110 13.461 6.053 -9.297 1.00 0.00 H new ATOM 0 HB THR A 110 11.973 3.532 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.116 3.033 -10.752 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.240 4.323 -10.035 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.513 5.486 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.191 5.798 -10.332 1.00 0.00 H new ATOM 1707 N HIS A 111 12.551 4.995 -6.282 1.00 0.00 N ATOM 1708 CA HIS A 111 12.009 5.407 -4.983 1.00 0.00 C ATOM 1709 C HIS A 111 10.761 6.273 -5.148 1.00 0.00 C ATOM 1710 O HIS A 111 9.763 5.767 -5.702 1.00 0.00 O ATOM 1711 CB HIS A 111 13.069 6.125 -4.129 1.00 0.00 C ATOM 1712 CG HIS A 111 13.754 7.273 -4.811 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.842 7.113 -5.643 1.00 0.00 N ATOM 1714 CD2 HIS A 111 13.500 8.603 -4.779 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.228 8.295 -6.092 1.00 0.00 C ATOM 1716 NE2 HIS A 111 14.430 9.214 -5.583 1.00 0.00 N ATOM 1717 OXT HIS A 111 10.787 7.445 -4.715 1.00 0.00 O ATOM 0 H HIS A 111 12.824 4.013 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 111 11.718 4.500 -4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.594 6.492 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.823 5.399 -3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 111 15.280 6.222 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.713 9.092 -4.224 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.056 8.477 -6.761 1.00 0.00 H new