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 Single : A 30 SER OG : rot 67:sc= 0.51 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.144 K(o=-0.14,f=-6!) USER MOD Single : A 48 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.08) USER MOD Single : A 50 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.4!) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0621 (180deg=-0.385) USER MOD Single : A 66 SER OG : rot -35:sc= 0.463 USER MOD Single : A 71 SER OG : rot 87:sc= 0.451 USER MOD Single : A 76 SER OG : rot -164:sc= 1.26 USER MOD Single : A 79 GLN : amide:sc= -2.97 K(o=-3,f=-0.66) USER MOD Single : A 89 MET CE :methyl -165:sc= -1.29 (180deg=-2.99!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 172:sc= 0 (180deg=-0.115) USER MOD Single : A 106 ASN : amide:sc= -0.458 K(o=-0.46,f=0.42) USER MOD Single : A 107 TYR OH : rot 180:sc= -1.7! USER MOD Single : A 110 THR OG1 : rot -52:sc= 0.598 USER MOD Single : A 111 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.002 -0.019 5.443 1.00 0.00 N ATOM 348 CA ALA A 23 -11.908 -1.451 5.187 1.00 0.00 C ATOM 349 C ALA A 23 -10.453 -1.895 5.076 1.00 0.00 C ATOM 350 O ALA A 23 -10.166 -2.993 4.601 1.00 0.00 O ATOM 351 CB ALA A 23 -12.683 -1.824 3.933 1.00 0.00 C ATOM 0 HA ALA A 23 -12.353 -1.974 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.600 -2.897 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.732 -1.557 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.273 -1.286 3.078 1.00 0.00 H new ATOM 357 N PHE A 24 -9.541 -1.030 5.509 1.00 0.00 N ATOM 358 CA PHE A 24 -8.113 -1.325 5.481 1.00 0.00 C ATOM 359 C PHE A 24 -7.814 -2.688 6.110 1.00 0.00 C ATOM 360 O PHE A 24 -7.111 -3.512 5.525 1.00 0.00 O ATOM 361 CB PHE A 24 -7.361 -0.228 6.238 1.00 0.00 C ATOM 362 CG PHE A 24 -5.943 -0.022 5.788 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.039 -1.071 5.783 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.511 1.231 5.384 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.732 -0.873 5.385 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.209 1.433 4.983 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.317 0.381 4.984 1.00 0.00 C ATOM 0 H PHE A 24 -9.769 -0.110 5.887 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.785 -1.357 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.904 0.710 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.360 -0.472 7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.360 -2.054 6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.204 2.059 5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.035 -1.698 5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.887 2.414 4.668 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.295 0.538 4.671 1.00 0.00 H new ATOM 377 N GLU A 25 -8.353 -2.913 7.305 1.00 0.00 N ATOM 378 CA GLU A 25 -8.129 -4.165 8.035 1.00 0.00 C ATOM 379 C GLU A 25 -8.684 -5.400 7.316 1.00 0.00 C ATOM 380 O GLU A 25 -7.958 -6.373 7.156 1.00 0.00 O ATOM 381 CB GLU A 25 -8.714 -4.107 9.438 1.00 0.00 C ATOM 382 CG GLU A 25 -9.490 -2.837 9.749 1.00 0.00 C ATOM 383 CD GLU A 25 -10.032 -2.814 11.165 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.295 -2.381 12.076 1.00 0.00 O ATOM 385 OE2 GLU A 25 -11.193 -3.230 11.363 1.00 0.00 O ATOM 0 H GLU A 25 -8.950 -2.245 7.793 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.045 -4.269 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.374 -4.963 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.903 -4.208 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.842 -1.974 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.317 -2.740 9.046 1.00 0.00 H new ATOM 392 N PRO A 26 -9.982 -5.410 6.907 1.00 0.00 N ATOM 393 CA PRO A 26 -10.580 -6.556 6.214 1.00 0.00 C ATOM 394 C PRO A 26 -9.588 -7.253 5.296 1.00 0.00 C ATOM 395 O PRO A 26 -9.613 -8.473 5.132 1.00 0.00 O ATOM 396 CB PRO A 26 -11.699 -5.905 5.412 1.00 0.00 C ATOM 397 CG PRO A 26 -12.148 -4.751 6.249 1.00 0.00 C ATOM 398 CD PRO A 26 -10.972 -4.337 7.110 1.00 0.00 C ATOM 0 HA PRO A 26 -10.918 -7.335 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.344 -5.572 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.515 -6.605 5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.474 -3.923 5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.998 -5.034 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.577 -3.368 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.257 -4.250 8.159 1.00 0.00 H new ATOM 406 N LEU A 27 -8.720 -6.454 4.708 1.00 0.00 N ATOM 407 CA LEU A 27 -7.675 -6.939 3.833 1.00 0.00 C ATOM 408 C LEU A 27 -6.584 -7.611 4.649 1.00 0.00 C ATOM 409 O LEU A 27 -6.222 -8.763 4.412 1.00 0.00 O ATOM 410 CB LEU A 27 -7.104 -5.749 3.086 1.00 0.00 C ATOM 411 CG LEU A 27 -7.936 -5.277 1.898 1.00 0.00 C ATOM 412 CD1 LEU A 27 -9.376 -5.001 2.303 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.316 -4.039 1.289 1.00 0.00 C ATOM 0 H LEU A 27 -8.721 -5.441 4.826 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.077 -7.670 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.992 -4.920 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.105 -6.006 2.733 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.946 -6.075 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.941 -4.667 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.824 -5.913 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.396 -4.226 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.918 -3.710 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.277 -3.246 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.306 -4.267 0.950 1.00 0.00 H new ATOM 425 N LEU A 28 -6.062 -6.856 5.605 1.00 0.00 N ATOM 426 CA LEU A 28 -5.021 -7.334 6.506 1.00 0.00 C ATOM 427 C LEU A 28 -5.418 -8.676 7.119 1.00 0.00 C ATOM 428 O LEU A 28 -4.582 -9.560 7.306 1.00 0.00 O ATOM 429 CB LEU A 28 -4.799 -6.297 7.615 1.00 0.00 C ATOM 430 CG LEU A 28 -3.385 -6.220 8.198 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.994 -7.530 8.864 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.379 -5.846 7.119 1.00 0.00 C ATOM 0 H LEU A 28 -6.348 -5.893 5.779 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.098 -7.474 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.061 -5.315 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.493 -6.511 8.428 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.379 -5.441 8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.985 -7.446 9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.692 -7.750 9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.024 -8.335 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.381 -5.797 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.395 -6.598 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.640 -4.875 6.699 1.00 0.00 H new ATOM 444 N GLU A 29 -6.703 -8.821 7.422 1.00 0.00 N ATOM 445 CA GLU A 29 -7.216 -10.046 8.014 1.00 0.00 C ATOM 446 C GLU A 29 -7.115 -11.207 7.032 1.00 0.00 C ATOM 447 O GLU A 29 -6.914 -12.355 7.428 1.00 0.00 O ATOM 448 CB GLU A 29 -8.671 -9.858 8.448 1.00 0.00 C ATOM 449 CG GLU A 29 -8.863 -8.755 9.475 1.00 0.00 C ATOM 450 CD GLU A 29 -8.062 -8.992 10.740 1.00 0.00 C ATOM 451 OE1 GLU A 29 -8.466 -9.857 11.545 1.00 0.00 O ATOM 452 OE2 GLU A 29 -7.031 -8.312 10.925 1.00 0.00 O ATOM 0 H GLU A 29 -7.409 -8.101 7.266 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.610 -10.278 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.277 -9.635 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.042 -10.796 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.570 -7.801 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.921 -8.679 9.728 1.00 0.00 H new ATOM 459 N SER A 30 -7.259 -10.898 5.746 1.00 0.00 N ATOM 460 CA SER A 30 -7.188 -11.910 4.697 1.00 0.00 C ATOM 461 C SER A 30 -5.795 -12.527 4.622 1.00 0.00 C ATOM 462 O SER A 30 -5.599 -13.561 3.982 1.00 0.00 O ATOM 463 CB SER A 30 -7.560 -11.297 3.344 1.00 0.00 C ATOM 464 OG SER A 30 -8.805 -10.623 3.414 1.00 0.00 O ATOM 0 H SER A 30 -7.426 -9.951 5.405 1.00 0.00 H new ATOM 0 HA SER A 30 -7.899 -12.699 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.783 -10.600 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.609 -12.080 2.588 1.00 0.00 H new ATOM 0 HG SER A 30 -8.718 -9.835 3.990 1.00 0.00 H new ATOM 470 N LEU A 31 -4.829 -11.889 5.276 1.00 0.00 N ATOM 471 CA LEU A 31 -3.455 -12.381 5.280 1.00 0.00 C ATOM 472 C LEU A 31 -3.345 -13.682 6.070 1.00 0.00 C ATOM 473 O LEU A 31 -2.390 -14.441 5.902 1.00 0.00 O ATOM 474 CB LEU A 31 -2.510 -11.332 5.870 1.00 0.00 C ATOM 475 CG LEU A 31 -2.442 -10.009 5.103 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.467 -9.053 5.771 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.043 -10.248 3.654 1.00 0.00 C ATOM 0 H LEU A 31 -4.972 -11.031 5.809 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.166 -12.576 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.819 -11.124 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.507 -11.757 5.919 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.433 -9.556 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.433 -8.118 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.795 -8.853 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.474 -9.501 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.000 -9.295 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.064 -10.725 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.779 -10.895 3.176 1.00 0.00 H new ATOM 489 N SER A 32 -4.328 -13.932 6.929 1.00 0.00 N ATOM 490 CA SER A 32 -4.341 -15.141 7.744 1.00 0.00 C ATOM 491 C SER A 32 -5.137 -16.249 7.062 1.00 0.00 C ATOM 492 O SER A 32 -5.381 -17.304 7.649 1.00 0.00 O ATOM 493 CB SER A 32 -4.935 -14.845 9.123 1.00 0.00 C ATOM 494 OG SER A 32 -4.172 -13.867 9.810 1.00 0.00 O ATOM 0 H SER A 32 -5.125 -13.314 7.079 1.00 0.00 H new ATOM 0 HA SER A 32 -3.312 -15.479 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.962 -14.497 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.970 -15.762 9.711 1.00 0.00 H new ATOM 0 HG SER A 32 -4.574 -13.695 10.687 1.00 0.00 H new ATOM 500 N ASN A 33 -5.536 -16.003 5.816 1.00 0.00 N ATOM 501 CA ASN A 33 -6.306 -16.977 5.053 1.00 0.00 C ATOM 502 C ASN A 33 -5.391 -18.052 4.473 1.00 0.00 C ATOM 503 O ASN A 33 -4.398 -17.745 3.815 1.00 0.00 O ATOM 504 CB ASN A 33 -7.072 -16.278 3.931 1.00 0.00 C ATOM 505 CG ASN A 33 -8.229 -17.108 3.419 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.076 -17.915 2.505 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.399 -16.910 4.012 1.00 0.00 N ATOM 0 H ASN A 33 -5.338 -15.137 5.315 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.018 -17.456 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.447 -15.321 4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.390 -16.063 3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.218 -17.439 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.479 -16.229 4.767 1.00 0.00 H new ATOM 514 N GLU A 34 -5.738 -19.312 4.720 1.00 0.00 N ATOM 515 CA GLU A 34 -4.945 -20.439 4.232 1.00 0.00 C ATOM 516 C GLU A 34 -4.825 -20.425 2.710 1.00 0.00 C ATOM 517 O GLU A 34 -3.888 -20.994 2.151 1.00 0.00 O ATOM 518 CB GLU A 34 -5.563 -21.761 4.693 1.00 0.00 C ATOM 519 CG GLU A 34 -5.559 -21.941 6.203 1.00 0.00 C ATOM 520 CD GLU A 34 -6.204 -23.243 6.638 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.447 -23.281 6.754 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.465 -24.225 6.863 1.00 0.00 O ATOM 0 H GLU A 34 -6.564 -19.580 5.256 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.943 -20.342 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.590 -21.818 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.018 -22.586 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.532 -21.910 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.086 -21.107 6.666 1.00 0.00 H new ATOM 529 N ASP A 35 -5.774 -19.774 2.043 1.00 0.00 N ATOM 530 CA ASP A 35 -5.760 -19.696 0.586 1.00 0.00 C ATOM 531 C ASP A 35 -4.712 -18.693 0.113 1.00 0.00 C ATOM 532 O ASP A 35 -4.424 -17.712 0.799 1.00 0.00 O ATOM 533 CB ASP A 35 -7.140 -19.303 0.057 1.00 0.00 C ATOM 534 CG ASP A 35 -7.288 -19.571 -1.428 1.00 0.00 C ATOM 535 OD1 ASP A 35 -6.911 -18.693 -2.231 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.784 -20.660 -1.788 1.00 0.00 O ATOM 0 H ASP A 35 -6.558 -19.295 2.486 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.503 -20.680 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.906 -19.856 0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.313 -18.244 0.251 1.00 0.00 H new ATOM 541 N TRP A 36 -4.145 -18.947 -1.062 1.00 0.00 N ATOM 542 CA TRP A 36 -3.121 -18.072 -1.626 1.00 0.00 C ATOM 543 C TRP A 36 -3.728 -17.044 -2.579 1.00 0.00 C ATOM 544 O TRP A 36 -3.296 -15.892 -2.616 1.00 0.00 O ATOM 545 CB TRP A 36 -2.056 -18.900 -2.351 1.00 0.00 C ATOM 546 CG TRP A 36 -2.625 -19.946 -3.261 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.005 -21.211 -2.917 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.870 -19.823 -4.667 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.478 -21.878 -4.020 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.404 -21.049 -5.105 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.693 -18.796 -5.597 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.761 -21.276 -6.430 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -3.048 -19.022 -6.913 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.577 -20.255 -7.318 1.00 0.00 C ATOM 0 H TRP A 36 -4.377 -19.752 -1.643 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.654 -17.531 -0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.421 -18.231 -2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.417 -19.383 -1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.943 -21.627 -1.922 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.828 -22.836 -4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.286 -17.843 -5.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.169 -22.225 -6.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.916 -18.236 -7.641 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.845 -20.401 -8.354 1.00 0.00 H new ATOM 565 N ARG A 37 -4.728 -17.466 -3.348 1.00 0.00 N ATOM 566 CA ARG A 37 -5.390 -16.581 -4.296 1.00 0.00 C ATOM 567 C ARG A 37 -6.096 -15.435 -3.575 1.00 0.00 C ATOM 568 O ARG A 37 -6.039 -14.285 -4.012 1.00 0.00 O ATOM 569 CB ARG A 37 -6.393 -17.370 -5.137 1.00 0.00 C ATOM 570 CG ARG A 37 -7.097 -16.527 -6.184 1.00 0.00 C ATOM 571 CD ARG A 37 -8.004 -17.368 -7.067 1.00 0.00 C ATOM 572 NE ARG A 37 -9.028 -18.062 -6.291 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.970 -18.830 -6.832 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.017 -19.001 -8.145 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.867 -19.431 -6.059 1.00 0.00 N ATOM 0 H ARG A 37 -5.097 -18.417 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.631 -16.154 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.875 -18.192 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.139 -17.814 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.685 -15.752 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.356 -16.020 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.482 -16.729 -7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.405 -18.097 -7.612 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.021 -17.952 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.330 -18.543 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.740 -19.590 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.835 -19.304 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.588 -20.019 -6.477 1.00 0.00 H new ATOM 589 N ILE A 38 -6.762 -15.757 -2.469 1.00 0.00 N ATOM 590 CA ILE A 38 -7.477 -14.755 -1.687 1.00 0.00 C ATOM 591 C ILE A 38 -6.503 -13.781 -1.031 1.00 0.00 C ATOM 592 O ILE A 38 -6.719 -12.568 -1.046 1.00 0.00 O ATOM 593 CB ILE A 38 -8.346 -15.411 -0.594 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.313 -16.419 -1.220 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.107 -14.349 0.188 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.078 -17.237 -0.202 1.00 0.00 C ATOM 0 H ILE A 38 -6.821 -16.704 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.124 -14.213 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.694 -15.943 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.023 -15.885 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.753 -17.093 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.715 -14.828 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.399 -13.667 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.752 -13.790 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.743 -17.929 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.376 -17.799 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.666 -16.572 0.431 1.00 0.00 H new ATOM 608 N ARG A 39 -5.434 -14.320 -0.453 1.00 0.00 N ATOM 609 CA ARG A 39 -4.424 -13.500 0.207 1.00 0.00 C ATOM 610 C ARG A 39 -3.743 -12.576 -0.798 1.00 0.00 C ATOM 611 O ARG A 39 -3.200 -11.534 -0.431 1.00 0.00 O ATOM 612 CB ARG A 39 -3.383 -14.389 0.892 1.00 0.00 C ATOM 613 CG ARG A 39 -2.339 -13.613 1.681 1.00 0.00 C ATOM 614 CD ARG A 39 -1.279 -14.536 2.261 1.00 0.00 C ATOM 615 NE ARG A 39 -1.828 -15.441 3.267 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.290 -16.619 3.576 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.200 -17.039 2.947 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.844 -17.377 4.513 1.00 0.00 N ATOM 0 H ARG A 39 -5.245 -15.322 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.918 -12.889 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.893 -15.080 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.880 -14.992 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.866 -12.876 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.825 -13.063 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.828 -15.119 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.484 -13.939 2.707 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.673 -15.154 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.228 -16.459 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.210 -17.942 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.683 -17.058 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.431 -18.279 4.749 1.00 0.00 H new ATOM 632 N GLY A 40 -3.782 -12.967 -2.070 1.00 0.00 N ATOM 633 CA GLY A 40 -3.167 -12.167 -3.112 1.00 0.00 C ATOM 634 C GLY A 40 -3.847 -10.824 -3.289 1.00 0.00 C ATOM 635 O GLY A 40 -3.220 -9.781 -3.114 1.00 0.00 O ATOM 0 H GLY A 40 -4.229 -13.824 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.115 -12.010 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.200 -12.715 -4.054 1.00 0.00 H new ATOM 639 N ALA A 41 -5.131 -10.854 -3.640 1.00 0.00 N ATOM 640 CA ALA A 41 -5.906 -9.632 -3.845 1.00 0.00 C ATOM 641 C ALA A 41 -5.697 -8.642 -2.703 1.00 0.00 C ATOM 642 O ALA A 41 -5.662 -7.431 -2.919 1.00 0.00 O ATOM 643 CB ALA A 41 -7.383 -9.964 -3.996 1.00 0.00 C ATOM 0 H ALA A 41 -5.658 -11.714 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.553 -9.161 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.949 -9.045 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.522 -10.622 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.738 -10.463 -3.094 1.00 0.00 H new ATOM 649 N ALA A 42 -5.561 -9.163 -1.487 1.00 0.00 N ATOM 650 CA ALA A 42 -5.349 -8.321 -0.316 1.00 0.00 C ATOM 651 C ALA A 42 -4.051 -7.529 -0.444 1.00 0.00 C ATOM 652 O ALA A 42 -4.046 -6.304 -0.341 1.00 0.00 O ATOM 653 CB ALA A 42 -5.328 -9.168 0.949 1.00 0.00 C ATOM 0 H ALA A 42 -5.594 -10.163 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.176 -7.614 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.169 -8.525 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.280 -9.689 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.520 -9.897 0.885 1.00 0.00 H new ATOM 659 N ALA A 43 -2.956 -8.244 -0.674 1.00 0.00 N ATOM 660 CA ALA A 43 -1.643 -7.627 -0.821 1.00 0.00 C ATOM 661 C ALA A 43 -1.584 -6.735 -2.059 1.00 0.00 C ATOM 662 O ALA A 43 -0.855 -5.743 -2.091 1.00 0.00 O ATOM 663 CB ALA A 43 -0.582 -8.708 -0.918 1.00 0.00 C ATOM 0 H ALA A 43 -2.952 -9.260 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.459 -7.004 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.399 -8.246 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.598 -9.316 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.784 -9.340 -1.783 1.00 0.00 H new ATOM 669 N TRP A 44 -2.357 -7.103 -3.075 1.00 0.00 N ATOM 670 CA TRP A 44 -2.390 -6.369 -4.336 1.00 0.00 C ATOM 671 C TRP A 44 -3.074 -5.005 -4.213 1.00 0.00 C ATOM 672 O TRP A 44 -2.716 -4.065 -4.925 1.00 0.00 O ATOM 673 CB TRP A 44 -3.087 -7.214 -5.406 1.00 0.00 C ATOM 674 CG TRP A 44 -2.159 -8.168 -6.094 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.438 -9.172 -5.513 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.846 -8.206 -7.492 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.694 -9.829 -6.464 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.928 -9.255 -7.685 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.252 -7.455 -8.597 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.409 -9.571 -8.938 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.738 -7.769 -9.842 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.824 -8.819 -10.003 1.00 0.00 C ATOM 0 H TRP A 44 -2.975 -7.914 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.357 -6.177 -4.625 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.900 -7.775 -4.945 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.536 -6.553 -6.148 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.451 -9.414 -4.461 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.069 -10.616 -6.289 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.955 -6.643 -8.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.295 -10.380 -9.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.046 -7.196 -10.704 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.439 -9.039 -10.988 1.00 0.00 H new ATOM 693 N ILE A 45 -4.051 -4.892 -3.317 1.00 0.00 N ATOM 694 CA ILE A 45 -4.779 -3.638 -3.143 1.00 0.00 C ATOM 695 C ILE A 45 -4.262 -2.849 -1.945 1.00 0.00 C ATOM 696 O ILE A 45 -4.365 -1.623 -1.904 1.00 0.00 O ATOM 697 CB ILE A 45 -6.288 -3.891 -2.966 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.820 -4.731 -4.128 1.00 0.00 C ATOM 699 CG2 ILE A 45 -7.046 -2.574 -2.867 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.252 -5.179 -3.945 1.00 0.00 C ATOM 0 H ILE A 45 -4.356 -5.648 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.614 -3.053 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.442 -4.441 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.744 -4.152 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.186 -5.609 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.110 -2.775 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.681 -2.008 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.890 -1.995 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.561 -5.770 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.331 -5.785 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.898 -4.306 -3.853 1.00 0.00 H new ATOM 712 N ILE A 46 -3.710 -3.563 -0.974 1.00 0.00 N ATOM 713 CA ILE A 46 -3.194 -2.938 0.235 1.00 0.00 C ATOM 714 C ILE A 46 -2.072 -1.950 -0.075 1.00 0.00 C ATOM 715 O ILE A 46 -1.878 -0.975 0.649 1.00 0.00 O ATOM 716 CB ILE A 46 -2.704 -3.998 1.244 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.907 -3.491 2.669 1.00 0.00 C ATOM 718 CG2 ILE A 46 -1.244 -4.358 1.000 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.952 -4.594 3.703 1.00 0.00 C ATOM 0 H ILE A 46 -3.608 -4.578 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.018 -2.384 0.684 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.292 -4.905 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.100 -2.802 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.836 -2.923 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.928 -5.107 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.132 -4.759 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.627 -3.466 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.099 -4.160 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.777 -5.270 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.013 -5.148 3.685 1.00 0.00 H new ATOM 731 N GLY A 47 -1.342 -2.201 -1.158 1.00 0.00 N ATOM 732 CA GLY A 47 -0.246 -1.325 -1.531 1.00 0.00 C ATOM 733 C GLY A 47 -0.713 0.027 -2.022 1.00 0.00 C ATOM 734 O GLY A 47 0.101 0.902 -2.310 1.00 0.00 O ATOM 0 H GLY A 47 -1.490 -2.994 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.410 -1.187 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.346 -1.804 -2.311 1.00 0.00 H new ATOM 738 N ASN A 48 -2.024 0.201 -2.126 1.00 0.00 N ATOM 739 CA ASN A 48 -2.583 1.465 -2.574 1.00 0.00 C ATOM 740 C ASN A 48 -2.374 2.538 -1.513 1.00 0.00 C ATOM 741 O ASN A 48 -2.059 3.685 -1.831 1.00 0.00 O ATOM 742 CB ASN A 48 -4.071 1.308 -2.881 1.00 0.00 C ATOM 743 CG ASN A 48 -4.325 0.567 -4.184 1.00 0.00 C ATOM 744 OD1 ASN A 48 -5.313 0.823 -4.873 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.434 -0.360 -4.526 1.00 0.00 N ATOM 0 H ASN A 48 -2.716 -0.515 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.070 1.770 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.552 0.772 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.534 2.294 -2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.556 -0.891 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.629 -0.540 -3.926 1.00 0.00 H new ATOM 752 N PHE A 49 -2.550 2.156 -0.252 1.00 0.00 N ATOM 753 CA PHE A 49 -2.372 3.081 0.857 1.00 0.00 C ATOM 754 C PHE A 49 -0.937 3.037 1.372 1.00 0.00 C ATOM 755 O PHE A 49 -0.454 1.997 1.816 1.00 0.00 O ATOM 756 CB PHE A 49 -3.349 2.742 1.984 1.00 0.00 C ATOM 757 CG PHE A 49 -4.729 2.405 1.489 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.456 3.323 0.747 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.292 1.167 1.756 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.718 3.011 0.280 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.554 0.852 1.292 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.268 1.774 0.552 1.00 0.00 C ATOM 0 H PHE A 49 -2.816 1.211 0.025 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.577 4.091 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.958 1.899 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.412 3.588 2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.031 4.292 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.738 0.441 2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.274 3.734 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.983 -0.115 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.254 1.528 0.187 1.00 0.00 H new ATOM 772 N GLN A 50 -0.262 4.178 1.301 1.00 0.00 N ATOM 773 CA GLN A 50 1.126 4.296 1.757 1.00 0.00 C ATOM 774 C GLN A 50 1.218 4.270 3.281 1.00 0.00 C ATOM 775 O GLN A 50 2.164 4.802 3.863 1.00 0.00 O ATOM 776 CB GLN A 50 1.745 5.595 1.240 1.00 0.00 C ATOM 777 CG GLN A 50 1.218 6.015 -0.117 1.00 0.00 C ATOM 778 CD GLN A 50 2.103 7.043 -0.796 1.00 0.00 C ATOM 779 OE1 GLN A 50 2.210 7.074 -2.022 1.00 0.00 O ATOM 780 NE2 GLN A 50 2.741 7.895 0.000 1.00 0.00 N ATOM 0 H GLN A 50 -0.653 5.044 0.930 1.00 0.00 H new ATOM 0 HA GLN A 50 1.674 3.441 1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.552 6.392 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.827 5.475 1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.132 5.137 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.215 6.425 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.624 7.834 1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.348 8.610 -0.401 1.00 0.00 H new ATOM 789 N ASP A 51 0.239 3.645 3.920 1.00 0.00 N ATOM 790 CA ASP A 51 0.208 3.556 5.376 1.00 0.00 C ATOM 791 C ASP A 51 1.060 2.388 5.869 1.00 0.00 C ATOM 792 O ASP A 51 1.290 1.425 5.139 1.00 0.00 O ATOM 793 CB ASP A 51 -1.234 3.399 5.864 1.00 0.00 C ATOM 794 CG ASP A 51 -1.348 3.486 7.374 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.207 4.603 7.915 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.583 2.440 8.013 1.00 0.00 O ATOM 0 H ASP A 51 -0.546 3.191 3.454 1.00 0.00 H new ATOM 0 HA ASP A 51 0.623 4.478 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.854 4.172 5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.626 2.439 5.528 1.00 0.00 H new ATOM 801 N GLU A 52 1.528 2.487 7.112 1.00 0.00 N ATOM 802 CA GLU A 52 2.359 1.445 7.710 1.00 0.00 C ATOM 803 C GLU A 52 1.631 0.104 7.741 1.00 0.00 C ATOM 804 O GLU A 52 2.251 -0.953 7.616 1.00 0.00 O ATOM 805 CB GLU A 52 2.769 1.848 9.129 1.00 0.00 C ATOM 806 CG GLU A 52 1.591 2.172 10.033 1.00 0.00 C ATOM 807 CD GLU A 52 2.017 2.496 11.452 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.338 3.672 11.722 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.031 1.573 12.292 1.00 0.00 O ATOM 0 H GLU A 52 1.345 3.281 7.726 1.00 0.00 H new ATOM 0 HA GLU A 52 3.251 1.333 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.347 1.039 9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.425 2.717 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.043 3.019 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.905 1.325 10.048 1.00 0.00 H new ATOM 816 N ARG A 53 0.314 0.154 7.907 1.00 0.00 N ATOM 817 CA ARG A 53 -0.501 -1.056 7.958 1.00 0.00 C ATOM 818 C ARG A 53 -0.522 -1.755 6.601 1.00 0.00 C ATOM 819 O ARG A 53 -0.966 -2.898 6.488 1.00 0.00 O ATOM 820 CB ARG A 53 -1.927 -0.709 8.391 1.00 0.00 C ATOM 821 CG ARG A 53 -2.779 -1.919 8.739 1.00 0.00 C ATOM 822 CD ARG A 53 -4.132 -1.500 9.291 1.00 0.00 C ATOM 823 NE ARG A 53 -3.999 -0.615 10.445 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.878 0.334 10.755 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.953 0.518 10.001 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.681 1.100 11.819 1.00 0.00 N ATOM 0 H ARG A 53 -0.214 1.021 8.009 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.060 -1.736 8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.882 -0.048 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.414 -0.153 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.921 -2.534 7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.259 -2.534 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.702 -0.996 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.698 -2.387 9.577 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.185 -0.731 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.107 -0.069 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.626 1.246 10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.855 0.962 12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.356 1.827 12.056 1.00 0.00 H new ATOM 840 N ALA A 54 -0.038 -1.061 5.575 1.00 0.00 N ATOM 841 CA ALA A 54 -0.010 -1.608 4.225 1.00 0.00 C ATOM 842 C ALA A 54 1.402 -2.001 3.825 1.00 0.00 C ATOM 843 O ALA A 54 1.613 -2.609 2.781 1.00 0.00 O ATOM 844 CB ALA A 54 -0.569 -0.601 3.236 1.00 0.00 C ATOM 0 H ALA A 54 0.340 -0.117 5.655 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.632 -2.503 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.542 -1.024 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.599 -0.363 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.032 0.308 3.264 1.00 0.00 H new ATOM 850 N VAL A 55 2.364 -1.635 4.656 1.00 0.00 N ATOM 851 CA VAL A 55 3.762 -1.938 4.391 1.00 0.00 C ATOM 852 C VAL A 55 4.173 -3.267 5.019 1.00 0.00 C ATOM 853 O VAL A 55 5.046 -3.962 4.500 1.00 0.00 O ATOM 854 CB VAL A 55 4.674 -0.817 4.924 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.134 -1.147 4.679 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.312 0.516 4.286 1.00 0.00 C ATOM 0 H VAL A 55 2.202 -1.125 5.524 1.00 0.00 H new ATOM 0 HA VAL A 55 3.877 -2.013 3.310 1.00 0.00 H new ATOM 0 HB VAL A 55 4.520 -0.737 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.759 -0.341 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.387 -2.077 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.307 -1.261 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.967 1.295 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.433 0.447 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.276 0.762 4.520 1.00 0.00 H new ATOM 866 N GLU A 56 3.536 -3.619 6.132 1.00 0.00 N ATOM 867 CA GLU A 56 3.854 -4.863 6.831 1.00 0.00 C ATOM 868 C GLU A 56 3.621 -6.092 5.947 1.00 0.00 C ATOM 869 O GLU A 56 4.499 -6.945 5.839 1.00 0.00 O ATOM 870 CB GLU A 56 3.047 -4.990 8.123 1.00 0.00 C ATOM 871 CG GLU A 56 3.532 -6.115 9.020 1.00 0.00 C ATOM 872 CD GLU A 56 2.500 -6.530 10.048 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.495 -5.948 11.153 1.00 0.00 O ATOM 874 OE2 GLU A 56 1.695 -7.437 9.748 1.00 0.00 O ATOM 0 H GLU A 56 2.800 -3.064 6.569 1.00 0.00 H new ATOM 0 HA GLU A 56 4.915 -4.822 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.099 -4.049 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.999 -5.157 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.794 -6.977 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.442 -5.800 9.531 1.00 0.00 H new ATOM 881 N PRO A 57 2.435 -6.215 5.309 1.00 0.00 N ATOM 882 CA PRO A 57 2.137 -7.358 4.439 1.00 0.00 C ATOM 883 C PRO A 57 3.251 -7.612 3.437 1.00 0.00 C ATOM 884 O PRO A 57 3.774 -8.720 3.330 1.00 0.00 O ATOM 885 CB PRO A 57 0.864 -6.927 3.711 1.00 0.00 C ATOM 886 CG PRO A 57 0.200 -5.974 4.642 1.00 0.00 C ATOM 887 CD PRO A 57 1.305 -5.264 5.374 1.00 0.00 C ATOM 0 HA PRO A 57 2.030 -8.285 5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.095 -6.453 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.223 -7.782 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.423 -5.266 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.453 -6.501 5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.553 -4.314 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.026 -5.043 6.404 1.00 0.00 H new ATOM 895 N LEU A 58 3.617 -6.562 2.720 1.00 0.00 N ATOM 896 CA LEU A 58 4.655 -6.629 1.706 1.00 0.00 C ATOM 897 C LEU A 58 5.973 -7.154 2.274 1.00 0.00 C ATOM 898 O LEU A 58 6.772 -7.742 1.549 1.00 0.00 O ATOM 899 CB LEU A 58 4.846 -5.241 1.086 1.00 0.00 C ATOM 900 CG LEU A 58 3.671 -4.746 0.227 1.00 0.00 C ATOM 901 CD1 LEU A 58 2.367 -4.736 1.006 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.957 -3.362 -0.330 1.00 0.00 C ATOM 0 H LEU A 58 3.201 -5.637 2.826 1.00 0.00 H new ATOM 0 HA LEU A 58 4.340 -7.333 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.019 -4.522 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.746 -5.255 0.471 1.00 0.00 H new ATOM 0 HG LEU A 58 3.560 -5.446 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.562 -4.380 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.139 -5.746 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.463 -4.075 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.112 -3.031 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.110 -2.663 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.854 -3.397 -0.948 1.00 0.00 H new ATOM 914 N ILE A 59 6.198 -6.949 3.569 1.00 0.00 N ATOM 915 CA ILE A 59 7.427 -7.415 4.208 1.00 0.00 C ATOM 916 C ILE A 59 7.533 -8.940 4.167 1.00 0.00 C ATOM 917 O ILE A 59 8.482 -9.490 3.608 1.00 0.00 O ATOM 918 CB ILE A 59 7.523 -6.936 5.675 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.624 -5.406 5.731 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.715 -7.579 6.376 1.00 0.00 C ATOM 921 CD1 ILE A 59 8.856 -4.844 5.048 1.00 0.00 C ATOM 0 H ILE A 59 5.551 -6.467 4.193 1.00 0.00 H new ATOM 0 HA ILE A 59 8.254 -6.985 3.643 1.00 0.00 H new ATOM 0 HB ILE A 59 6.617 -7.243 6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.736 -4.976 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.623 -5.090 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.764 -7.228 7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.601 -8.663 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.633 -7.306 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.854 -3.757 5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.751 -5.243 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.850 -5.127 3.996 1.00 0.00 H new ATOM 933 N LYS A 60 6.554 -9.615 4.762 1.00 0.00 N ATOM 934 CA LYS A 60 6.535 -11.076 4.805 1.00 0.00 C ATOM 935 C LYS A 60 6.264 -11.674 3.425 1.00 0.00 C ATOM 936 O LYS A 60 6.612 -12.824 3.155 1.00 0.00 O ATOM 937 CB LYS A 60 5.467 -11.553 5.793 1.00 0.00 C ATOM 938 CG LYS A 60 5.501 -13.049 6.059 1.00 0.00 C ATOM 939 CD LYS A 60 6.679 -13.434 6.942 1.00 0.00 C ATOM 940 CE LYS A 60 6.500 -12.925 8.364 1.00 0.00 C ATOM 941 NZ LYS A 60 5.323 -13.548 9.030 1.00 0.00 N ATOM 0 H LYS A 60 5.759 -9.172 5.223 1.00 0.00 H new ATOM 0 HA LYS A 60 7.518 -11.414 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.596 -11.023 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.483 -11.284 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.571 -13.355 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.564 -13.586 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.787 -14.519 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.598 -13.027 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.399 -13.137 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.379 -11.842 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.393 -13.410 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.450 -13.104 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.302 -14.566 8.818 1.00 0.00 H new ATOM 955 N LEU A 61 5.645 -10.883 2.556 1.00 0.00 N ATOM 956 CA LEU A 61 5.301 -11.328 1.208 1.00 0.00 C ATOM 957 C LEU A 61 6.533 -11.614 0.355 1.00 0.00 C ATOM 958 O LEU A 61 6.645 -12.684 -0.240 1.00 0.00 O ATOM 959 CB LEU A 61 4.433 -10.271 0.525 1.00 0.00 C ATOM 960 CG LEU A 61 2.919 -10.425 0.714 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.585 -11.089 2.044 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.242 -9.070 0.616 1.00 0.00 C ATOM 0 H LEU A 61 5.369 -9.923 2.762 1.00 0.00 H new ATOM 0 HA LEU A 61 4.751 -12.264 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.728 -9.290 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.650 -10.285 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 61 2.546 -11.071 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.503 -11.181 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.039 -12.079 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.974 -10.482 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.167 -9.190 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.634 -8.411 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.438 -8.635 -0.364 1.00 0.00 H new ATOM 974 N LEU A 62 7.447 -10.653 0.291 1.00 0.00 N ATOM 975 CA LEU A 62 8.665 -10.798 -0.500 1.00 0.00 C ATOM 976 C LEU A 62 9.396 -12.094 -0.160 1.00 0.00 C ATOM 977 O LEU A 62 10.192 -12.596 -0.953 1.00 0.00 O ATOM 978 CB LEU A 62 9.577 -9.597 -0.258 1.00 0.00 C ATOM 979 CG LEU A 62 8.915 -8.239 -0.492 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.598 -7.159 0.334 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.941 -7.884 -1.972 1.00 0.00 C ATOM 0 H LEU A 62 7.368 -9.761 0.779 1.00 0.00 H new ATOM 0 HA LEU A 62 8.389 -10.840 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.943 -9.636 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.446 -9.680 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 62 7.875 -8.302 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.112 -6.200 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.524 -7.409 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.648 -7.093 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.466 -6.914 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.974 -7.839 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.402 -8.644 -2.538 1.00 0.00 H new ATOM 993 N GLU A 63 9.117 -12.629 1.022 1.00 0.00 N ATOM 994 CA GLU A 63 9.744 -13.863 1.469 1.00 0.00 C ATOM 995 C GLU A 63 8.777 -15.039 1.367 1.00 0.00 C ATOM 996 O GLU A 63 9.193 -16.198 1.372 1.00 0.00 O ATOM 997 CB GLU A 63 10.219 -13.703 2.910 1.00 0.00 C ATOM 998 CG GLU A 63 11.610 -14.251 3.151 1.00 0.00 C ATOM 999 CD GLU A 63 11.696 -15.750 2.929 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.306 -16.509 3.843 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.150 -16.164 1.843 1.00 0.00 O ATOM 0 H GLU A 63 8.459 -12.225 1.689 1.00 0.00 H new ATOM 0 HA GLU A 63 10.597 -14.070 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.203 -12.646 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.518 -14.209 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.314 -13.749 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.915 -14.021 4.172 1.00 0.00 H new ATOM 1008 N ASP A 64 7.487 -14.732 1.276 1.00 0.00 N ATOM 1009 CA ASP A 64 6.458 -15.762 1.180 1.00 0.00 C ATOM 1010 C ASP A 64 6.668 -16.635 -0.049 1.00 0.00 C ATOM 1011 O ASP A 64 6.423 -17.841 -0.022 1.00 0.00 O ATOM 1012 CB ASP A 64 5.070 -15.122 1.140 1.00 0.00 C ATOM 1013 CG ASP A 64 3.973 -16.087 1.544 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.949 -17.217 1.012 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.134 -15.712 2.390 1.00 0.00 O ATOM 0 H ASP A 64 7.129 -13.777 1.267 1.00 0.00 H new ATOM 0 HA ASP A 64 6.532 -16.396 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.053 -14.258 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.872 -14.753 0.133 1.00 0.00 H new ATOM 1020 N ASP A 65 7.126 -16.010 -1.118 1.00 0.00 N ATOM 1021 CA ASP A 65 7.385 -16.706 -2.378 1.00 0.00 C ATOM 1022 C ASP A 65 6.166 -17.514 -2.825 1.00 0.00 C ATOM 1023 O ASP A 65 6.296 -18.544 -3.486 1.00 0.00 O ATOM 1024 CB ASP A 65 8.599 -17.627 -2.226 1.00 0.00 C ATOM 1025 CG ASP A 65 9.067 -18.200 -3.550 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.664 -17.445 -4.346 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.835 -19.403 -3.791 1.00 0.00 O ATOM 0 H ASP A 65 7.330 -15.011 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 65 7.593 -15.958 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.416 -17.072 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.348 -18.444 -1.549 1.00 0.00 H new ATOM 1032 N SER A 66 4.978 -17.034 -2.467 1.00 0.00 N ATOM 1033 CA SER A 66 3.738 -17.715 -2.829 1.00 0.00 C ATOM 1034 C SER A 66 3.339 -17.407 -4.269 1.00 0.00 C ATOM 1035 O SER A 66 2.348 -17.937 -4.774 1.00 0.00 O ATOM 1036 CB SER A 66 2.610 -17.300 -1.883 1.00 0.00 C ATOM 1037 OG SER A 66 1.413 -17.997 -2.177 1.00 0.00 O ATOM 0 H SER A 66 4.848 -16.178 -1.928 1.00 0.00 H new ATOM 0 HA SER A 66 3.909 -18.788 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.905 -17.497 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.439 -16.227 -1.966 1.00 0.00 H new ATOM 0 HG SER A 66 1.347 -18.141 -3.144 1.00 0.00 H new ATOM 1043 N GLY A 67 4.112 -16.550 -4.927 1.00 0.00 N ATOM 1044 CA GLY A 67 3.811 -16.183 -6.300 1.00 0.00 C ATOM 1045 C GLY A 67 2.860 -15.005 -6.376 1.00 0.00 C ATOM 1046 O GLY A 67 3.286 -13.869 -6.567 1.00 0.00 O ATOM 0 H GLY A 67 4.941 -16.103 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.736 -15.936 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.373 -17.037 -6.816 1.00 0.00 H new ATOM 1050 N PHE A 68 1.567 -15.277 -6.228 1.00 0.00 N ATOM 1051 CA PHE A 68 0.556 -14.225 -6.263 1.00 0.00 C ATOM 1052 C PHE A 68 0.771 -13.268 -5.095 1.00 0.00 C ATOM 1053 O PHE A 68 0.773 -12.048 -5.262 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.846 -14.843 -6.177 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.946 -14.002 -6.775 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.019 -12.633 -6.546 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.922 -14.594 -7.561 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.041 -11.880 -7.091 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.944 -13.843 -8.109 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.004 -12.485 -7.873 1.00 0.00 C ATOM 0 H PHE A 68 1.195 -16.215 -6.083 1.00 0.00 H new ATOM 0 HA PHE A 68 0.645 -13.675 -7.200 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.833 -15.810 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.081 -15.032 -5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.269 -12.153 -5.935 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.883 -15.657 -7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.086 -10.817 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.695 -14.319 -8.722 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.803 -11.897 -8.299 1.00 0.00 H new ATOM 1070 N VAL A 69 0.963 -13.844 -3.914 1.00 0.00 N ATOM 1071 CA VAL A 69 1.176 -13.071 -2.697 1.00 0.00 C ATOM 1072 C VAL A 69 2.527 -12.358 -2.717 1.00 0.00 C ATOM 1073 O VAL A 69 2.619 -11.177 -2.383 1.00 0.00 O ATOM 1074 CB VAL A 69 1.097 -13.973 -1.451 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.936 -13.140 -0.192 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.039 -14.975 -1.585 1.00 0.00 C ATOM 0 H VAL A 69 0.975 -14.854 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 69 0.385 -12.323 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 69 2.032 -14.527 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.882 -13.798 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.790 -12.470 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.020 -12.553 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.078 -15.602 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.983 -14.442 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.129 -15.600 -2.462 1.00 0.00 H new ATOM 1086 N ARG A 70 3.571 -13.082 -3.114 1.00 0.00 N ATOM 1087 CA ARG A 70 4.920 -12.520 -3.173 1.00 0.00 C ATOM 1088 C ARG A 70 4.998 -11.400 -4.208 1.00 0.00 C ATOM 1089 O ARG A 70 5.276 -10.250 -3.870 1.00 0.00 O ATOM 1090 CB ARG A 70 5.937 -13.619 -3.503 1.00 0.00 C ATOM 1091 CG ARG A 70 7.384 -13.243 -3.206 1.00 0.00 C ATOM 1092 CD ARG A 70 7.967 -12.334 -4.277 1.00 0.00 C ATOM 1093 NE ARG A 70 7.765 -12.870 -5.620 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.620 -13.689 -6.226 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.729 -14.073 -5.606 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.366 -14.126 -7.451 1.00 0.00 N ATOM 0 H ARG A 70 3.510 -14.059 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 70 5.158 -12.099 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.683 -14.515 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.849 -13.874 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.438 -12.744 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.986 -14.149 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.505 -11.349 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.034 -12.200 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 70 6.919 -12.601 -6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.927 -13.740 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.383 -14.701 -6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.514 -13.834 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.022 -14.754 -7.915 1.00 0.00 H new ATOM 1110 N SER A 71 4.755 -11.748 -5.470 1.00 0.00 N ATOM 1111 CA SER A 71 4.799 -10.774 -6.558 1.00 0.00 C ATOM 1112 C SER A 71 3.890 -9.586 -6.264 1.00 0.00 C ATOM 1113 O SER A 71 4.157 -8.466 -6.700 1.00 0.00 O ATOM 1114 CB SER A 71 4.387 -11.430 -7.878 1.00 0.00 C ATOM 1115 OG SER A 71 5.214 -12.542 -8.176 1.00 0.00 O ATOM 0 H SER A 71 4.526 -12.697 -5.764 1.00 0.00 H new ATOM 0 HA SER A 71 5.824 -10.412 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.347 -11.752 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.449 -10.700 -8.685 1.00 0.00 H new ATOM 0 HG SER A 71 4.853 -13.344 -7.743 1.00 0.00 H new ATOM 1121 N GLY A 72 2.817 -9.840 -5.522 1.00 0.00 N ATOM 1122 CA GLY A 72 1.886 -8.783 -5.179 1.00 0.00 C ATOM 1123 C GLY A 72 2.550 -7.652 -4.422 1.00 0.00 C ATOM 1124 O GLY A 72 2.250 -6.482 -4.651 1.00 0.00 O ATOM 0 H GLY A 72 2.576 -10.760 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.434 -8.391 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.078 -9.196 -4.575 1.00 0.00 H new ATOM 1128 N ALA A 73 3.452 -8.004 -3.515 1.00 0.00 N ATOM 1129 CA ALA A 73 4.163 -7.009 -2.726 1.00 0.00 C ATOM 1130 C ALA A 73 5.110 -6.187 -3.592 1.00 0.00 C ATOM 1131 O ALA A 73 5.250 -4.982 -3.397 1.00 0.00 O ATOM 1132 CB ALA A 73 4.929 -7.678 -1.599 1.00 0.00 C ATOM 0 H ALA A 73 3.708 -8.970 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 73 3.424 -6.331 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.456 -6.921 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.233 -8.212 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.649 -8.381 -2.016 1.00 0.00 H new ATOM 1138 N ALA A 74 5.761 -6.850 -4.544 1.00 0.00 N ATOM 1139 CA ALA A 74 6.698 -6.182 -5.443 1.00 0.00 C ATOM 1140 C ALA A 74 6.073 -4.940 -6.072 1.00 0.00 C ATOM 1141 O ALA A 74 6.628 -3.844 -5.986 1.00 0.00 O ATOM 1142 CB ALA A 74 7.166 -7.143 -6.525 1.00 0.00 C ATOM 0 H ALA A 74 5.657 -7.850 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 74 7.559 -5.863 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.864 -6.632 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.663 -7.997 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.307 -7.490 -7.100 1.00 0.00 H new ATOM 1148 N ARG A 75 4.916 -5.118 -6.703 1.00 0.00 N ATOM 1149 CA ARG A 75 4.217 -4.010 -7.345 1.00 0.00 C ATOM 1150 C ARG A 75 3.694 -3.021 -6.310 1.00 0.00 C ATOM 1151 O ARG A 75 3.803 -1.809 -6.487 1.00 0.00 O ATOM 1152 CB ARG A 75 3.053 -4.533 -8.193 1.00 0.00 C ATOM 1153 CG ARG A 75 2.124 -5.476 -7.441 1.00 0.00 C ATOM 1154 CD ARG A 75 0.803 -5.661 -8.171 1.00 0.00 C ATOM 1155 NE ARG A 75 0.991 -5.829 -9.609 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.557 -4.958 -10.516 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.068 -3.852 -10.134 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.755 -5.186 -11.805 1.00 0.00 N ATOM 0 H ARG A 75 4.443 -6.018 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 75 4.928 -3.495 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.475 -3.686 -8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.454 -5.050 -9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.610 -6.444 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.936 -5.083 -6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.286 -6.532 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.163 -4.798 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 75 1.483 -6.661 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.217 -3.667 -9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.399 -3.186 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.241 -6.031 -12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.421 -4.517 -12.498 1.00 0.00 H new ATOM 1172 N SER A 76 3.130 -3.551 -5.232 1.00 0.00 N ATOM 1173 CA SER A 76 2.576 -2.728 -4.164 1.00 0.00 C ATOM 1174 C SER A 76 3.634 -1.812 -3.548 1.00 0.00 C ATOM 1175 O SER A 76 3.323 -0.713 -3.088 1.00 0.00 O ATOM 1176 CB SER A 76 1.972 -3.621 -3.082 1.00 0.00 C ATOM 1177 OG SER A 76 0.861 -4.344 -3.581 1.00 0.00 O ATOM 0 H SER A 76 3.044 -4.555 -5.074 1.00 0.00 H new ATOM 0 HA SER A 76 1.800 -2.097 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.728 -4.316 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.662 -3.011 -2.234 1.00 0.00 H new ATOM 0 HG SER A 76 0.343 -4.706 -2.832 1.00 0.00 H new ATOM 1183 N LEU A 77 4.880 -2.271 -3.542 1.00 0.00 N ATOM 1184 CA LEU A 77 5.979 -1.493 -2.975 1.00 0.00 C ATOM 1185 C LEU A 77 6.304 -0.287 -3.852 1.00 0.00 C ATOM 1186 O LEU A 77 6.215 0.857 -3.406 1.00 0.00 O ATOM 1187 CB LEU A 77 7.218 -2.374 -2.802 1.00 0.00 C ATOM 1188 CG LEU A 77 7.137 -3.383 -1.654 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.265 -4.394 -1.744 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.178 -2.673 -0.311 1.00 0.00 C ATOM 0 H LEU A 77 5.156 -3.176 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 77 5.668 -1.127 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.393 -2.916 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.083 -1.731 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 77 6.189 -3.913 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.187 -5.101 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.197 -4.932 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.223 -3.876 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.119 -3.408 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.110 -2.114 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.335 -1.987 -0.236 1.00 0.00 H new ATOM 1202 N GLU A 78 6.685 -0.550 -5.100 1.00 0.00 N ATOM 1203 CA GLU A 78 6.998 0.519 -6.045 1.00 0.00 C ATOM 1204 C GLU A 78 5.783 1.418 -6.248 1.00 0.00 C ATOM 1205 O GLU A 78 5.907 2.575 -6.650 1.00 0.00 O ATOM 1206 CB GLU A 78 7.444 -0.071 -7.386 1.00 0.00 C ATOM 1207 CG GLU A 78 7.769 0.976 -8.439 1.00 0.00 C ATOM 1208 CD GLU A 78 8.232 0.362 -9.745 1.00 0.00 C ATOM 1209 OE1 GLU A 78 9.443 0.084 -9.874 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.384 0.159 -10.639 1.00 0.00 O ATOM 0 H GLU A 78 6.784 -1.492 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 78 7.813 1.116 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.323 -0.695 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.657 -0.722 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.886 1.589 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.545 1.641 -8.059 1.00 0.00 H new ATOM 1217 N GLN A 79 4.607 0.867 -5.962 1.00 0.00 N ATOM 1218 CA GLN A 79 3.352 1.596 -6.098 1.00 0.00 C ATOM 1219 C GLN A 79 3.380 2.871 -5.262 1.00 0.00 C ATOM 1220 O GLN A 79 2.857 3.907 -5.671 1.00 0.00 O ATOM 1221 CB GLN A 79 2.192 0.701 -5.656 1.00 0.00 C ATOM 1222 CG GLN A 79 0.826 1.160 -6.136 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.233 0.092 -5.946 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.210 0.028 -6.691 1.00 0.00 O ATOM 1225 NE2 GLN A 79 -0.038 -0.761 -4.943 1.00 0.00 N ATOM 0 H GLN A 79 4.498 -0.092 -5.631 1.00 0.00 H new ATOM 0 HA GLN A 79 3.216 1.875 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.370 -0.311 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.183 0.650 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.535 2.059 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.884 1.429 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.787 -0.671 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.713 -1.505 -4.768 1.00 0.00 H new ATOM 1234 N ILE A 80 3.996 2.782 -4.087 1.00 0.00 N ATOM 1235 CA ILE A 80 4.105 3.923 -3.188 1.00 0.00 C ATOM 1236 C ILE A 80 5.087 4.954 -3.732 1.00 0.00 C ATOM 1237 O ILE A 80 4.720 6.100 -3.991 1.00 0.00 O ATOM 1238 CB ILE A 80 4.571 3.483 -1.785 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.724 2.311 -1.280 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.508 4.651 -0.810 1.00 0.00 C ATOM 1241 CD1 ILE A 80 2.248 2.627 -1.166 1.00 0.00 C ATOM 0 H ILE A 80 4.428 1.928 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 80 3.113 4.369 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 80 5.607 3.151 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.854 1.464 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.096 2.001 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.840 4.322 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.156 5.454 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.483 5.015 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.715 1.749 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.105 3.452 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.859 2.908 -2.145 1.00 0.00 H new ATOM 1253 N GLY A 81 6.335 4.533 -3.909 1.00 0.00 N ATOM 1254 CA GLY A 81 7.355 5.429 -4.417 1.00 0.00 C ATOM 1255 C GLY A 81 7.723 6.506 -3.418 1.00 0.00 C ATOM 1256 O GLY A 81 7.250 7.637 -3.512 1.00 0.00 O ATOM 0 H GLY A 81 6.658 3.586 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.245 4.855 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.001 5.895 -5.337 1.00 0.00 H new ATOM 1260 N GLY A 82 8.567 6.149 -2.457 1.00 0.00 N ATOM 1261 CA GLY A 82 8.985 7.101 -1.448 1.00 0.00 C ATOM 1262 C GLY A 82 10.008 6.519 -0.494 1.00 0.00 C ATOM 1263 O GLY A 82 10.386 5.353 -0.613 1.00 0.00 O ATOM 0 H GLY A 82 8.969 5.217 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.405 7.981 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.114 7.434 -0.884 1.00 0.00 H new ATOM 1267 N GLU A 83 10.458 7.334 0.452 1.00 0.00 N ATOM 1268 CA GLU A 83 11.444 6.902 1.436 1.00 0.00 C ATOM 1269 C GLU A 83 10.888 5.782 2.311 1.00 0.00 C ATOM 1270 O GLU A 83 11.643 5.009 2.902 1.00 0.00 O ATOM 1271 CB GLU A 83 11.874 8.088 2.304 1.00 0.00 C ATOM 1272 CG GLU A 83 12.888 7.728 3.379 1.00 0.00 C ATOM 1273 CD GLU A 83 13.329 8.929 4.193 1.00 0.00 C ATOM 1274 OE1 GLU A 83 14.055 9.785 3.645 1.00 0.00 O ATOM 1275 OE2 GLU A 83 12.950 9.014 5.381 1.00 0.00 O ATOM 0 H GLU A 83 10.155 8.302 0.559 1.00 0.00 H new ATOM 0 HA GLU A 83 12.313 6.517 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.298 8.861 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.992 8.517 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.456 6.982 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.760 7.271 2.912 1.00 0.00 H new ATOM 1282 N ARG A 84 9.564 5.699 2.387 1.00 0.00 N ATOM 1283 CA ARG A 84 8.909 4.678 3.197 1.00 0.00 C ATOM 1284 C ARG A 84 9.246 3.276 2.702 1.00 0.00 C ATOM 1285 O ARG A 84 9.807 2.467 3.442 1.00 0.00 O ATOM 1286 CB ARG A 84 7.388 4.884 3.211 1.00 0.00 C ATOM 1287 CG ARG A 84 6.802 5.345 1.882 1.00 0.00 C ATOM 1288 CD ARG A 84 6.675 6.859 1.823 1.00 0.00 C ATOM 1289 NE ARG A 84 5.748 7.366 2.832 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.501 8.657 3.027 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.111 9.573 2.285 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.643 9.035 3.964 1.00 0.00 N ATOM 0 H ARG A 84 8.924 6.325 1.898 1.00 0.00 H new ATOM 0 HA ARG A 84 9.284 4.778 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.910 3.948 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.140 5.618 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.436 5.000 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.822 4.891 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.655 7.312 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.332 7.157 0.832 1.00 0.00 H new ATOM 0 HE ARG A 84 5.262 6.690 3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.772 9.287 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.919 10.563 2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.172 8.335 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.454 10.026 4.113 1.00 0.00 H new ATOM 1306 N VAL A 85 8.902 2.992 1.455 1.00 0.00 N ATOM 1307 CA VAL A 85 9.173 1.688 0.868 1.00 0.00 C ATOM 1308 C VAL A 85 10.669 1.498 0.649 1.00 0.00 C ATOM 1309 O VAL A 85 11.164 0.372 0.604 1.00 0.00 O ATOM 1310 CB VAL A 85 8.432 1.522 -0.473 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.861 0.247 -1.182 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.929 1.533 -0.249 1.00 0.00 C ATOM 0 H VAL A 85 8.434 3.648 0.829 1.00 0.00 H new ATOM 0 HA VAL A 85 8.814 0.931 1.565 1.00 0.00 H new ATOM 0 HB VAL A 85 8.695 2.363 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.322 0.156 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.933 0.283 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.636 -0.613 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.418 1.415 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.654 0.712 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.636 2.480 0.205 1.00 0.00 H new ATOM 1322 N ARG A 86 11.386 2.610 0.530 1.00 0.00 N ATOM 1323 CA ARG A 86 12.827 2.569 0.310 1.00 0.00 C ATOM 1324 C ARG A 86 13.529 1.780 1.414 1.00 0.00 C ATOM 1325 O ARG A 86 14.590 1.196 1.192 1.00 0.00 O ATOM 1326 CB ARG A 86 13.387 3.992 0.231 1.00 0.00 C ATOM 1327 CG ARG A 86 14.741 4.084 -0.457 1.00 0.00 C ATOM 1328 CD ARG A 86 15.888 3.915 0.526 1.00 0.00 C ATOM 1329 NE ARG A 86 17.187 3.963 -0.138 1.00 0.00 N ATOM 1330 CZ ARG A 86 18.305 4.369 0.454 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.284 4.760 1.722 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.447 4.385 -0.221 1.00 0.00 N ATOM 0 H ARG A 86 10.993 3.550 0.582 1.00 0.00 H new ATOM 0 HA ARG A 86 13.015 2.061 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.676 4.623 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.475 4.394 1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.809 3.318 -1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.830 5.049 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.837 4.700 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.782 2.964 1.047 1.00 0.00 H new ATOM 0 HE ARG A 86 17.239 3.668 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.408 4.749 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.144 5.071 2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.467 4.085 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.305 4.697 0.235 1.00 0.00 H new ATOM 1346 N ALA A 87 12.928 1.755 2.602 1.00 0.00 N ATOM 1347 CA ALA A 87 13.500 1.038 3.736 1.00 0.00 C ATOM 1348 C ALA A 87 13.152 -0.445 3.679 1.00 0.00 C ATOM 1349 O ALA A 87 13.928 -1.292 4.124 1.00 0.00 O ATOM 1350 CB ALA A 87 13.015 1.644 5.044 1.00 0.00 C ATOM 0 H ALA A 87 12.045 2.224 2.803 1.00 0.00 H new ATOM 0 HA ALA A 87 14.585 1.134 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.450 1.098 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.319 2.690 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.928 1.579 5.094 1.00 0.00 H new ATOM 1356 N ALA A 88 11.980 -0.754 3.130 1.00 0.00 N ATOM 1357 CA ALA A 88 11.536 -2.135 3.011 1.00 0.00 C ATOM 1358 C ALA A 88 12.391 -2.882 1.999 1.00 0.00 C ATOM 1359 O ALA A 88 12.658 -4.074 2.154 1.00 0.00 O ATOM 1360 CB ALA A 88 10.069 -2.186 2.614 1.00 0.00 C ATOM 0 H ALA A 88 11.323 -0.066 2.762 1.00 0.00 H new ATOM 0 HA ALA A 88 11.648 -2.622 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.751 -3.225 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.469 -1.684 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.934 -1.685 1.655 1.00 0.00 H new ATOM 1366 N MET A 89 12.818 -2.170 0.959 1.00 0.00 N ATOM 1367 CA MET A 89 13.653 -2.758 -0.077 1.00 0.00 C ATOM 1368 C MET A 89 15.049 -3.027 0.457 1.00 0.00 C ATOM 1369 O MET A 89 15.600 -4.104 0.257 1.00 0.00 O ATOM 1370 CB MET A 89 13.730 -1.835 -1.286 1.00 0.00 C ATOM 1371 CG MET A 89 12.371 -1.487 -1.856 1.00 0.00 C ATOM 1372 SD MET A 89 11.432 -2.950 -2.333 1.00 0.00 S ATOM 1373 CE MET A 89 10.441 -2.296 -3.673 1.00 0.00 C ATOM 0 H MET A 89 12.598 -1.185 0.814 1.00 0.00 H new ATOM 0 HA MET A 89 13.204 -3.703 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.244 -0.917 -1.002 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.331 -2.311 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.805 -0.920 -1.118 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.499 -0.841 -2.725 1.00 0.00 H new ATOM 0 HE1 MET A 89 9.629 -2.988 -3.896 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.026 -1.331 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.064 -2.171 -4.559 1.00 0.00 H new ATOM 1383 N GLU A 90 15.620 -2.031 1.126 1.00 0.00 N ATOM 1384 CA GLU A 90 16.949 -2.172 1.706 1.00 0.00 C ATOM 1385 C GLU A 90 16.973 -3.347 2.677 1.00 0.00 C ATOM 1386 O GLU A 90 18.003 -3.993 2.863 1.00 0.00 O ATOM 1387 CB GLU A 90 17.362 -0.888 2.428 1.00 0.00 C ATOM 1388 CG GLU A 90 17.559 0.297 1.499 1.00 0.00 C ATOM 1389 CD GLU A 90 17.931 1.563 2.243 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.030 2.188 2.841 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.126 1.929 2.232 1.00 0.00 O ATOM 0 H GLU A 90 15.185 -1.121 1.279 1.00 0.00 H new ATOM 0 HA GLU A 90 17.659 -2.359 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.602 -0.637 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.289 -1.070 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.340 0.062 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.643 0.468 0.934 1.00 0.00 H new ATOM 1398 N LYS A 91 15.823 -3.613 3.292 1.00 0.00 N ATOM 1399 CA LYS A 91 15.695 -4.715 4.240 1.00 0.00 C ATOM 1400 C LYS A 91 15.522 -6.042 3.512 1.00 0.00 C ATOM 1401 O LYS A 91 15.974 -7.084 3.987 1.00 0.00 O ATOM 1402 CB LYS A 91 14.509 -4.475 5.177 1.00 0.00 C ATOM 1403 CG LYS A 91 14.274 -5.596 6.178 1.00 0.00 C ATOM 1404 CD LYS A 91 15.466 -5.780 7.103 1.00 0.00 C ATOM 1405 CE LYS A 91 15.175 -6.807 8.186 1.00 0.00 C ATOM 1406 NZ LYS A 91 16.370 -7.075 9.033 1.00 0.00 N ATOM 0 H LYS A 91 14.966 -3.079 3.150 1.00 0.00 H new ATOM 0 HA LYS A 91 16.611 -4.762 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.671 -3.544 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.608 -4.341 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.385 -5.376 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.080 -6.526 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.333 -6.096 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.722 -4.826 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.358 -6.451 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.841 -7.736 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.130 -7.780 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.142 -7.439 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.674 -6.194 9.494 1.00 0.00 H new ATOM 1420 N LEU A 92 14.867 -6.000 2.356 1.00 0.00 N ATOM 1421 CA LEU A 92 14.642 -7.198 1.569 1.00 0.00 C ATOM 1422 C LEU A 92 15.893 -7.530 0.762 1.00 0.00 C ATOM 1423 O LEU A 92 16.141 -8.685 0.425 1.00 0.00 O ATOM 1424 CB LEU A 92 13.417 -6.994 0.666 1.00 0.00 C ATOM 1425 CG LEU A 92 13.541 -7.531 -0.759 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.469 -9.052 -0.771 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.450 -6.941 -1.638 1.00 0.00 C ATOM 0 H LEU A 92 14.484 -5.147 1.947 1.00 0.00 H new ATOM 0 HA LEU A 92 14.439 -8.044 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.558 -7.469 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.202 -5.927 0.614 1.00 0.00 H new ATOM 0 HG LEU A 92 14.511 -7.234 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.559 -9.412 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.282 -9.459 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.514 -9.374 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.548 -7.331 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.473 -7.213 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.545 -5.855 -1.656 1.00 0.00 H new ATOM 1439 N ALA A 93 16.685 -6.505 0.472 1.00 0.00 N ATOM 1440 CA ALA A 93 17.921 -6.674 -0.279 1.00 0.00 C ATOM 1441 C ALA A 93 18.934 -7.473 0.532 1.00 0.00 C ATOM 1442 O ALA A 93 19.861 -8.065 -0.021 1.00 0.00 O ATOM 1443 CB ALA A 93 18.496 -5.319 -0.663 1.00 0.00 C ATOM 0 H ALA A 93 16.491 -5.542 0.748 1.00 0.00 H new ATOM 0 HA ALA A 93 17.699 -7.227 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.420 -5.461 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.777 -4.780 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.704 -4.743 0.239 1.00 0.00 H new ATOM 1449 N GLU A 94 18.747 -7.484 1.849 1.00 0.00 N ATOM 1450 CA GLU A 94 19.632 -8.223 2.742 1.00 0.00 C ATOM 1451 C GLU A 94 19.250 -9.697 2.738 1.00 0.00 C ATOM 1452 O GLU A 94 20.082 -10.571 2.982 1.00 0.00 O ATOM 1453 CB GLU A 94 19.552 -7.659 4.161 1.00 0.00 C ATOM 1454 CG GLU A 94 19.961 -6.198 4.259 1.00 0.00 C ATOM 1455 CD GLU A 94 19.845 -5.650 5.667 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.835 -5.741 6.423 1.00 0.00 O ATOM 1457 OE2 GLU A 94 18.764 -5.130 6.015 1.00 0.00 O ATOM 0 H GLU A 94 17.990 -6.989 2.321 1.00 0.00 H new ATOM 0 HA GLU A 94 20.658 -8.119 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.532 -7.768 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.192 -8.251 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.990 -6.089 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.337 -5.605 3.590 1.00 0.00 H new ATOM 1464 N THR A 95 17.978 -9.955 2.458 1.00 0.00 N ATOM 1465 CA THR A 95 17.460 -11.312 2.388 1.00 0.00 C ATOM 1466 C THR A 95 16.939 -11.582 0.984 1.00 0.00 C ATOM 1467 O THR A 95 16.087 -12.446 0.773 1.00 0.00 O ATOM 1468 CB THR A 95 16.324 -11.536 3.405 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.298 -10.555 3.216 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.851 -11.458 4.830 1.00 0.00 C ATOM 0 H THR A 95 17.282 -9.233 2.274 1.00 0.00 H new ATOM 0 HA THR A 95 18.272 -11.998 2.629 1.00 0.00 H new ATOM 0 HB THR A 95 15.910 -12.531 3.242 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.579 -10.705 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.031 -11.619 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.612 -12.224 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.288 -10.475 5.003 1.00 0.00 H new ATOM 1478 N GLY A 96 17.474 -10.830 0.028 1.00 0.00 N ATOM 1479 CA GLY A 96 17.060 -10.956 -1.354 1.00 0.00 C ATOM 1480 C GLY A 96 17.217 -12.356 -1.907 1.00 0.00 C ATOM 1481 O GLY A 96 18.321 -12.898 -1.954 1.00 0.00 O ATOM 0 H GLY A 96 18.196 -10.128 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.016 -10.655 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.643 -10.266 -1.964 1.00 0.00 H new ATOM 1485 N THR A 97 16.101 -12.937 -2.329 1.00 0.00 N ATOM 1486 CA THR A 97 16.099 -14.276 -2.903 1.00 0.00 C ATOM 1487 C THR A 97 15.065 -14.388 -4.019 1.00 0.00 C ATOM 1488 O THR A 97 13.906 -14.006 -3.847 1.00 0.00 O ATOM 1489 CB THR A 97 15.816 -15.350 -1.834 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.700 -16.638 -2.451 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.542 -15.029 -1.065 1.00 0.00 C ATOM 0 H THR A 97 15.181 -12.499 -2.284 1.00 0.00 H new ATOM 0 HA THR A 97 17.094 -14.448 -3.315 1.00 0.00 H new ATOM 0 HB THR A 97 16.649 -15.360 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.522 -17.315 -1.765 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.364 -15.801 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.649 -14.063 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.700 -14.992 -1.756 1.00 0.00 H new ATOM 1499 N GLY A 98 15.491 -14.911 -5.164 1.00 0.00 N ATOM 1500 CA GLY A 98 14.590 -15.064 -6.292 1.00 0.00 C ATOM 1501 C GLY A 98 14.283 -13.748 -6.983 1.00 0.00 C ATOM 1502 O GLY A 98 15.191 -12.986 -7.319 1.00 0.00 O ATOM 0 H GLY A 98 16.445 -15.232 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.031 -15.753 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.659 -15.515 -5.949 1.00 0.00 H new ATOM 1506 N PHE A 99 12.997 -13.484 -7.196 1.00 0.00 N ATOM 1507 CA PHE A 99 12.557 -12.257 -7.857 1.00 0.00 C ATOM 1508 C PHE A 99 12.386 -11.117 -6.853 1.00 0.00 C ATOM 1509 O PHE A 99 12.506 -9.945 -7.210 1.00 0.00 O ATOM 1510 CB PHE A 99 11.245 -12.516 -8.608 1.00 0.00 C ATOM 1511 CG PHE A 99 10.480 -11.271 -8.966 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.924 -10.434 -9.977 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.313 -10.946 -8.295 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.216 -9.295 -10.312 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.601 -9.808 -8.625 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.054 -8.981 -9.635 1.00 0.00 C ATOM 0 H PHE A 99 12.237 -14.106 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 99 13.324 -11.955 -8.570 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.466 -13.068 -9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.609 -13.155 -7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.833 -10.674 -10.509 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.955 -11.589 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.571 -8.651 -11.103 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.692 -9.566 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.500 -8.091 -9.894 1.00 0.00 H new ATOM 1526 N ALA A 100 12.111 -11.468 -5.601 1.00 0.00 N ATOM 1527 CA ALA A 100 11.921 -10.475 -4.548 1.00 0.00 C ATOM 1528 C ALA A 100 13.102 -9.510 -4.469 1.00 0.00 C ATOM 1529 O ALA A 100 12.927 -8.319 -4.228 1.00 0.00 O ATOM 1530 CB ALA A 100 11.717 -11.164 -3.208 1.00 0.00 C ATOM 0 H ALA A 100 12.014 -12.435 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 100 11.031 -9.895 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.576 -10.413 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.836 -11.804 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.592 -11.770 -2.973 1.00 0.00 H new ATOM 1536 N ARG A 101 14.303 -10.034 -4.678 1.00 0.00 N ATOM 1537 CA ARG A 101 15.519 -9.227 -4.619 1.00 0.00 C ATOM 1538 C ARG A 101 15.571 -8.203 -5.746 1.00 0.00 C ATOM 1539 O ARG A 101 15.670 -7.000 -5.497 1.00 0.00 O ATOM 1540 CB ARG A 101 16.738 -10.133 -4.704 1.00 0.00 C ATOM 1541 CG ARG A 101 18.063 -9.393 -4.612 1.00 0.00 C ATOM 1542 CD ARG A 101 19.193 -10.331 -4.220 1.00 0.00 C ATOM 1543 NE ARG A 101 19.234 -11.524 -5.062 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.138 -12.491 -4.931 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.082 -12.402 -4.003 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.100 -13.549 -5.731 1.00 0.00 N ATOM 0 H ARG A 101 14.463 -11.019 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 101 15.516 -8.688 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.688 -10.869 -3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.705 -10.683 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.290 -8.928 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.983 -8.590 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.144 -9.803 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.073 -10.627 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 101 18.529 -11.621 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.116 -11.590 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.773 -13.146 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.377 -13.621 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.794 -14.290 -5.630 1.00 0.00 H new ATOM 1560 N LYS A 102 15.517 -8.691 -6.984 1.00 0.00 N ATOM 1561 CA LYS A 102 15.558 -7.829 -8.161 1.00 0.00 C ATOM 1562 C LYS A 102 14.611 -6.645 -7.998 1.00 0.00 C ATOM 1563 O LYS A 102 14.792 -5.595 -8.613 1.00 0.00 O ATOM 1564 CB LYS A 102 15.179 -8.637 -9.403 1.00 0.00 C ATOM 1565 CG LYS A 102 15.128 -7.816 -10.678 1.00 0.00 C ATOM 1566 CD LYS A 102 14.524 -8.611 -11.824 1.00 0.00 C ATOM 1567 CE LYS A 102 14.383 -7.761 -13.075 1.00 0.00 C ATOM 1568 NZ LYS A 102 15.705 -7.305 -13.587 1.00 0.00 N ATOM 0 H LYS A 102 15.444 -9.686 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 102 16.571 -7.442 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.898 -9.446 -9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.205 -9.099 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.540 -6.914 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.134 -7.495 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.151 -9.476 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.546 -8.992 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.872 -8.335 -13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.759 -6.894 -12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.579 -6.845 -14.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.122 -6.628 -12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.338 -8.124 -13.691 1.00 0.00 H new ATOM 1582 N VAL A 103 13.604 -6.828 -7.159 1.00 0.00 N ATOM 1583 CA VAL A 103 12.619 -5.793 -6.894 1.00 0.00 C ATOM 1584 C VAL A 103 13.207 -4.656 -6.055 1.00 0.00 C ATOM 1585 O VAL A 103 13.234 -3.507 -6.487 1.00 0.00 O ATOM 1586 CB VAL A 103 11.403 -6.393 -6.164 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.498 -5.300 -5.611 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.628 -7.309 -7.096 1.00 0.00 C ATOM 0 H VAL A 103 13.447 -7.695 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 103 12.307 -5.382 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 103 11.769 -6.980 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.648 -5.754 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.058 -4.686 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.139 -4.676 -6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.771 -7.726 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.280 -6.741 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.276 -8.118 -7.432 1.00 0.00 H new ATOM 1598 N ALA A 104 13.680 -4.994 -4.858 1.00 0.00 N ATOM 1599 CA ALA A 104 14.250 -4.013 -3.937 1.00 0.00 C ATOM 1600 C ALA A 104 15.406 -3.223 -4.549 1.00 0.00 C ATOM 1601 O ALA A 104 15.414 -1.994 -4.525 1.00 0.00 O ATOM 1602 CB ALA A 104 14.729 -4.715 -2.676 1.00 0.00 C ATOM 0 H ALA A 104 13.679 -5.949 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 104 13.460 -3.299 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.154 -3.982 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.888 -5.216 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.489 -5.452 -2.936 1.00 0.00 H new ATOM 1608 N VAL A 105 16.369 -3.944 -5.097 1.00 0.00 N ATOM 1609 CA VAL A 105 17.567 -3.337 -5.679 1.00 0.00 C ATOM 1610 C VAL A 105 17.257 -2.422 -6.863 1.00 0.00 C ATOM 1611 O VAL A 105 17.506 -1.219 -6.806 1.00 0.00 O ATOM 1612 CB VAL A 105 18.565 -4.419 -6.142 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.903 -3.795 -6.508 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.741 -5.480 -5.066 1.00 0.00 C ATOM 0 H VAL A 105 16.349 -4.962 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 105 18.006 -2.731 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 105 18.160 -4.900 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.592 -4.575 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.761 -3.078 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.316 -3.284 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.448 -6.234 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.121 -5.016 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.780 -5.951 -4.859 1.00 0.00 H new ATOM 1624 N ASN A 106 16.721 -2.996 -7.932 1.00 0.00 N ATOM 1625 CA ASN A 106 16.409 -2.234 -9.140 1.00 0.00 C ATOM 1626 C ASN A 106 15.497 -1.040 -8.860 1.00 0.00 C ATOM 1627 O ASN A 106 15.678 0.030 -9.440 1.00 0.00 O ATOM 1628 CB ASN A 106 15.762 -3.143 -10.186 1.00 0.00 C ATOM 1629 CG ASN A 106 16.724 -4.187 -10.722 1.00 0.00 C ATOM 1630 OD1 ASN A 106 16.867 -5.267 -10.150 1.00 0.00 O ATOM 1631 ND2 ASN A 106 17.391 -3.871 -11.827 1.00 0.00 N ATOM 0 H ASN A 106 16.492 -3.988 -7.990 1.00 0.00 H new ATOM 0 HA ASN A 106 17.352 -1.843 -9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.898 -3.641 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.393 -2.536 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.051 -4.535 -12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.243 -2.964 -12.270 1.00 0.00 H new ATOM 1638 N TYR A 107 14.519 -1.219 -7.977 1.00 0.00 N ATOM 1639 CA TYR A 107 13.578 -0.161 -7.657 1.00 0.00 C ATOM 1640 C TYR A 107 14.284 1.050 -7.055 1.00 0.00 C ATOM 1641 O TYR A 107 13.852 2.187 -7.239 1.00 0.00 O ATOM 1642 CB TYR A 107 12.518 -0.697 -6.703 1.00 0.00 C ATOM 1643 CG TYR A 107 11.726 0.378 -6.014 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.843 1.192 -6.707 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.878 0.578 -4.660 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.130 2.180 -6.057 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.174 1.560 -3.998 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.299 2.360 -4.699 1.00 0.00 C ATOM 1649 OH TYR A 107 9.594 3.341 -4.043 1.00 0.00 O ATOM 0 H TYR A 107 14.361 -2.091 -7.471 1.00 0.00 H new ATOM 0 HA TYR A 107 13.100 0.169 -8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.835 -1.340 -7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.001 -1.319 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.711 1.051 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.563 -0.047 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.445 2.808 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.307 1.702 -2.936 1.00 0.00 H new ATOM 0 HH TYR A 107 9.829 3.332 -3.092 1.00 0.00 H new ATOM 1659 N LEU A 108 15.369 0.792 -6.334 1.00 0.00 N ATOM 1660 CA LEU A 108 16.140 1.852 -5.693 1.00 0.00 C ATOM 1661 C LEU A 108 16.629 2.885 -6.708 1.00 0.00 C ATOM 1662 O LEU A 108 17.098 3.959 -6.334 1.00 0.00 O ATOM 1663 CB LEU A 108 17.329 1.253 -4.945 1.00 0.00 C ATOM 1664 CG LEU A 108 16.985 0.548 -3.632 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.174 -0.261 -3.137 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.555 1.563 -2.583 1.00 0.00 C ATOM 0 H LEU A 108 15.736 -0.147 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 108 15.484 2.362 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.829 0.540 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.044 2.049 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 108 16.155 -0.135 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.913 -0.756 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.440 -1.010 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.022 0.403 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.313 1.046 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.367 2.269 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.676 2.102 -2.937 1.00 0.00 H new ATOM 1678 N GLU A 109 16.515 2.554 -7.989 1.00 0.00 N ATOM 1679 CA GLU A 109 16.948 3.454 -9.050 1.00 0.00 C ATOM 1680 C GLU A 109 16.058 4.694 -9.113 1.00 0.00 C ATOM 1681 O GLU A 109 16.389 5.676 -9.778 1.00 0.00 O ATOM 1682 CB GLU A 109 16.929 2.725 -10.395 1.00 0.00 C ATOM 1683 CG GLU A 109 17.538 3.528 -11.531 1.00 0.00 C ATOM 1684 CD GLU A 109 17.508 2.787 -12.853 1.00 0.00 C ATOM 1685 OE1 GLU A 109 16.458 2.819 -13.528 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.537 2.178 -13.215 1.00 0.00 O ATOM 0 H GLU A 109 16.127 1.670 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 109 17.966 3.776 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.470 1.784 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.899 2.476 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.999 4.470 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.570 3.777 -11.282 1.00 0.00 H new ATOM 1693 N THR A 110 14.930 4.647 -8.409 1.00 0.00 N ATOM 1694 CA THR A 110 13.993 5.765 -8.392 1.00 0.00 C ATOM 1695 C THR A 110 13.914 6.402 -7.006 1.00 0.00 C ATOM 1696 O THR A 110 14.250 7.575 -6.834 1.00 0.00 O ATOM 1697 CB THR A 110 12.583 5.322 -8.826 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.109 4.279 -7.968 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.592 4.832 -10.265 1.00 0.00 C ATOM 0 H THR A 110 14.644 3.848 -7.844 1.00 0.00 H new ATOM 0 HA THR A 110 14.369 6.502 -9.102 1.00 0.00 H new ATOM 0 HB THR A 110 11.918 6.182 -8.752 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.776 3.562 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.586 4.524 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.926 5.636 -10.921 1.00 0.00 H new ATOM 0 HG23 THR A 110 13.271 3.984 -10.356 1.00 0.00 H new ATOM 1707 N HIS A 111 13.466 5.625 -6.025 1.00 0.00 N ATOM 1708 CA HIS A 111 13.342 6.113 -4.655 1.00 0.00 C ATOM 1709 C HIS A 111 13.968 5.130 -3.671 1.00 0.00 C ATOM 1710 O HIS A 111 15.166 5.295 -3.354 1.00 0.00 O ATOM 1711 CB HIS A 111 11.870 6.343 -4.300 1.00 0.00 C ATOM 1712 CG HIS A 111 11.232 7.452 -5.079 1.00 0.00 C ATOM 1713 ND1 HIS A 111 10.945 8.686 -4.535 1.00 0.00 N ATOM 1714 CD2 HIS A 111 10.823 7.506 -6.369 1.00 0.00 C ATOM 1715 CE1 HIS A 111 10.385 9.452 -5.455 1.00 0.00 C ATOM 1716 NE2 HIS A 111 10.301 8.760 -6.576 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.258 4.205 -3.226 1.00 0.00 O ATOM 0 H HIS A 111 13.182 4.654 -6.153 1.00 0.00 H new ATOM 0 HA HIS A 111 13.875 7.061 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.315 5.421 -4.474 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.792 6.566 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 111 10.894 6.712 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 111 10.053 10.470 -5.314 1.00 0.00 H new ATOM 0 HE2 HIS A 111 9.911 9.101 -7.455 1.00 0.00 H new