USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.276 K(o=-0.99,f=-0.0097) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.716 K(o=-0.99,f=0.22) USER MOD Set 3.1: A 31 TYR OH : rot -147:sc=0.000646 USER MOD Set 3.2: A 64 HIS : no HE2:sc= -4.06! K(o=-4.1!,f=-1.8) USER MOD Set 4.1: A 43 MET CE :methyl -167:sc= -0.15 (180deg=-0.599) USER MOD Set 4.2: A 46 MET CE :methyl -163:sc= -0.134 (180deg=-0.794) USER MOD Set 5.1: A 30 GLN : amide:sc= -0.56 K(o=-0.54,f=-2.9!) USER MOD Set 5.2: A 39 CYS SG : rot 180:sc= 0.022 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0576) USER MOD Single : A 35 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.44) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.061) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 171:sc= -0.0749 USER MOD Single : A 45 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.102 (180deg=-0.556) USER MOD Single : A 59 THR OG1 : rot -168:sc= 0.648 USER MOD Single : A 62 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.26) USER MOD Single : A 65 ASN : amide:sc= -1.03 K(o=-1,f=-5.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.32! C(o=-3.3!,f=-6.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 81 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 6.976 8.079 3.656 1.00 0.00 N ATOM 398 CA GLU A 28 5.832 8.908 4.014 1.00 0.00 C ATOM 399 C GLU A 28 4.928 9.140 2.806 1.00 0.00 C ATOM 400 O GLU A 28 5.265 9.907 1.905 1.00 0.00 O ATOM 401 CB GLU A 28 6.302 10.251 4.578 1.00 0.00 C ATOM 402 CG GLU A 28 5.239 10.980 5.382 1.00 0.00 C ATOM 403 CD GLU A 28 5.830 11.885 6.446 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.282 12.995 6.094 1.00 0.00 O ATOM 405 OE2 GLU A 28 5.842 11.483 7.628 1.00 0.00 O ATOM 0 HA GLU A 28 5.261 8.381 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.174 10.084 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.623 10.889 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.622 11.574 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.582 10.250 5.855 1.00 0.00 H new ATOM 412 N TRP A 29 3.781 8.471 2.796 1.00 0.00 N ATOM 413 CA TRP A 29 2.830 8.602 1.699 1.00 0.00 C ATOM 414 C TRP A 29 1.729 9.597 2.049 1.00 0.00 C ATOM 415 O TRP A 29 1.021 9.428 3.041 1.00 0.00 O ATOM 416 CB TRP A 29 2.216 7.242 1.362 1.00 0.00 C ATOM 417 CG TRP A 29 3.145 6.343 0.603 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.205 5.646 1.108 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.097 6.047 -0.797 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.819 4.934 0.106 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.158 5.162 -1.072 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.260 6.440 -1.844 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.402 4.668 -2.351 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.503 5.949 -3.113 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.567 5.070 -3.357 1.00 0.00 C ATOM 0 H TRP A 29 3.487 7.832 3.535 1.00 0.00 H new ATOM 0 HA TRP A 29 3.369 8.975 0.828 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.917 6.747 2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.310 7.395 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.515 5.653 2.143 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.635 4.333 0.221 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.437 7.116 -1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.222 3.991 -2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.863 6.248 -3.930 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.731 4.703 -4.359 1.00 0.00 H new ATOM 436 N GLN A 30 1.591 10.634 1.230 1.00 0.00 N ATOM 437 CA GLN A 30 0.576 11.656 1.455 1.00 0.00 C ATOM 438 C GLN A 30 -0.312 11.822 0.227 1.00 0.00 C ATOM 439 O GLN A 30 0.110 11.553 -0.898 1.00 0.00 O ATOM 440 CB GLN A 30 1.236 12.991 1.806 1.00 0.00 C ATOM 441 CG GLN A 30 2.458 12.851 2.698 1.00 0.00 C ATOM 442 CD GLN A 30 3.354 14.073 2.658 1.00 0.00 C ATOM 443 OE1 GLN A 30 3.793 14.500 1.590 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.630 14.643 3.825 1.00 0.00 N ATOM 0 H GLN A 30 2.169 10.789 0.404 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.047 11.336 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.525 13.497 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.505 13.628 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.136 12.675 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.030 11.976 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.244 14.255 4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.228 15.469 3.861 1.00 0.00 H new ATOM 453 N TYR A 31 -1.545 12.265 0.450 1.00 0.00 N ATOM 454 CA TYR A 31 -2.494 12.463 -0.639 1.00 0.00 C ATOM 455 C TYR A 31 -2.977 13.910 -0.684 1.00 0.00 C ATOM 456 O TYR A 31 -3.231 14.523 0.353 1.00 0.00 O ATOM 457 CB TYR A 31 -3.687 11.520 -0.481 1.00 0.00 C ATOM 458 CG TYR A 31 -4.545 11.824 0.726 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.112 11.508 2.008 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.788 12.428 0.586 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.892 11.784 3.114 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.574 12.709 1.686 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.122 12.385 2.948 1.00 0.00 C ATOM 464 OH TYR A 31 -6.903 12.662 4.047 1.00 0.00 O ATOM 0 H TYR A 31 -1.910 12.494 1.375 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.985 12.240 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.304 11.575 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.322 10.496 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.149 11.038 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.146 12.682 -0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.541 11.531 4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.538 13.180 1.559 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.849 12.574 3.807 1.00 0.00 H new ATOM 474 N ILE A 32 -3.103 14.447 -1.892 1.00 0.00 N ATOM 475 CA ILE A 32 -3.557 15.820 -2.073 1.00 0.00 C ATOM 476 C ILE A 32 -5.064 15.875 -2.302 1.00 0.00 C ATOM 477 O ILE A 32 -5.555 15.492 -3.363 1.00 0.00 O ATOM 478 CB ILE A 32 -2.844 16.497 -3.259 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.426 16.911 -2.861 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.639 17.704 -3.736 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.385 15.852 -3.152 1.00 0.00 C ATOM 0 H ILE A 32 -2.897 13.953 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.311 16.357 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.777 15.782 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.161 17.826 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.409 17.143 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.123 18.172 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.631 17.384 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.734 18.422 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.597 16.213 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.627 14.943 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.374 15.636 -4.220 1.00 0.00 H new ATOM 493 N ASP A 33 -5.791 16.356 -1.300 1.00 0.00 N ATOM 494 CA ASP A 33 -7.243 16.464 -1.392 1.00 0.00 C ATOM 495 C ASP A 33 -7.644 17.616 -2.307 1.00 0.00 C ATOM 496 O ASP A 33 -6.817 18.452 -2.672 1.00 0.00 O ATOM 497 CB ASP A 33 -7.849 16.665 -0.002 1.00 0.00 C ATOM 498 CG ASP A 33 -9.362 16.569 -0.012 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.887 15.448 0.152 1.00 0.00 O ATOM 500 OD2 ASP A 33 -10.022 17.615 -0.182 1.00 0.00 O ATOM 0 H ASP A 33 -5.399 16.677 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.627 15.536 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.445 15.916 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.552 17.640 0.383 1.00 0.00 H new ATOM 505 N LYS A 34 -8.921 17.655 -2.675 1.00 0.00 N ATOM 506 CA LYS A 34 -9.434 18.704 -3.548 1.00 0.00 C ATOM 507 C LYS A 34 -8.636 19.993 -3.377 1.00 0.00 C ATOM 508 O LYS A 34 -7.889 20.394 -4.268 1.00 0.00 O ATOM 509 CB LYS A 34 -10.913 18.964 -3.252 1.00 0.00 C ATOM 510 CG LYS A 34 -11.793 17.740 -3.432 1.00 0.00 C ATOM 511 CD LYS A 34 -12.374 17.671 -4.834 1.00 0.00 C ATOM 512 CE LYS A 34 -13.531 18.643 -5.007 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.763 18.166 -4.321 1.00 0.00 N ATOM 0 H LYS A 34 -9.619 16.972 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.330 18.367 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.012 19.325 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.272 19.759 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.211 16.840 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.603 17.763 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.596 17.897 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.716 16.656 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.249 19.618 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.736 18.778 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.572 18.751 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.942 17.175 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.637 18.238 -3.291 1.00 0.00 H new ATOM 527 N ASN A 35 -8.800 20.637 -2.226 1.00 0.00 N ATOM 528 CA ASN A 35 -8.094 21.880 -1.938 1.00 0.00 C ATOM 529 C ASN A 35 -7.310 21.771 -0.634 1.00 0.00 C ATOM 530 O ASN A 35 -6.938 22.781 -0.035 1.00 0.00 O ATOM 531 CB ASN A 35 -9.082 23.045 -1.857 1.00 0.00 C ATOM 532 CG ASN A 35 -8.400 24.393 -1.990 1.00 0.00 C ATOM 533 OD1 ASN A 35 -8.165 25.082 -0.997 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.078 24.774 -3.220 1.00 0.00 N ATOM 0 H ASN A 35 -9.416 20.319 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.390 22.065 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.829 22.940 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.613 23.002 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.616 25.671 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.292 24.170 -4.014 1.00 0.00 H new ATOM 541 N ILE A 36 -7.062 20.540 -0.200 1.00 0.00 N ATOM 542 CA ILE A 36 -6.322 20.299 1.032 1.00 0.00 C ATOM 543 C ILE A 36 -5.234 19.251 0.824 1.00 0.00 C ATOM 544 O ILE A 36 -5.365 18.362 -0.018 1.00 0.00 O ATOM 545 CB ILE A 36 -7.253 19.838 2.168 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.476 20.753 2.258 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.504 19.816 3.492 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.580 20.383 1.292 1.00 0.00 C ATOM 0 H ILE A 36 -7.363 19.694 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.862 21.246 1.313 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.594 18.826 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.868 20.723 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.166 21.780 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.176 19.488 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.662 19.127 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.137 20.817 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.415 21.074 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.204 20.441 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.918 19.367 1.497 1.00 0.00 H new ATOM 560 N THR A 37 -4.159 19.359 1.599 1.00 0.00 N ATOM 561 CA THR A 37 -3.049 18.421 1.500 1.00 0.00 C ATOM 562 C THR A 37 -2.817 17.702 2.825 1.00 0.00 C ATOM 563 O THR A 37 -2.247 18.269 3.757 1.00 0.00 O ATOM 564 CB THR A 37 -1.748 19.131 1.081 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.994 19.977 -0.048 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.666 18.119 0.736 1.00 0.00 C ATOM 0 H THR A 37 -4.034 20.087 2.302 1.00 0.00 H new ATOM 0 HA THR A 37 -3.319 17.692 0.736 1.00 0.00 H new ATOM 0 HB THR A 37 -1.403 19.736 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.163 20.426 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.243 18.644 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.461 17.495 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.004 17.492 -0.089 1.00 0.00 H new ATOM 574 N GLN A 38 -3.262 16.452 2.900 1.00 0.00 N ATOM 575 CA GLN A 38 -3.102 15.656 4.111 1.00 0.00 C ATOM 576 C GLN A 38 -2.193 14.458 3.860 1.00 0.00 C ATOM 577 O GLN A 38 -1.714 14.253 2.744 1.00 0.00 O ATOM 578 CB GLN A 38 -4.465 15.180 4.617 1.00 0.00 C ATOM 579 CG GLN A 38 -5.382 16.312 5.052 1.00 0.00 C ATOM 580 CD GLN A 38 -4.874 17.035 6.284 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.476 18.198 6.215 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.884 16.348 7.420 1.00 0.00 N ATOM 0 H GLN A 38 -3.736 15.969 2.137 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.639 16.286 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.956 14.608 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.315 14.502 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.486 17.025 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.376 15.912 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.223 15.386 7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.553 16.782 8.282 1.00 0.00 H new ATOM 591 N CYS A 39 -1.960 13.670 4.903 1.00 0.00 N ATOM 592 CA CYS A 39 -1.107 12.491 4.796 1.00 0.00 C ATOM 593 C CYS A 39 -1.894 11.221 5.100 1.00 0.00 C ATOM 594 O CYS A 39 -2.964 11.271 5.707 1.00 0.00 O ATOM 595 CB CYS A 39 0.083 12.609 5.749 1.00 0.00 C ATOM 596 SG CYS A 39 0.857 14.243 5.766 1.00 0.00 S ATOM 0 H CYS A 39 -2.350 13.826 5.833 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.738 12.431 3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.248 12.365 6.758 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.832 11.867 5.471 1.00 0.00 H new ATOM 0 HG CYS A 39 1.851 14.243 6.603 1.00 0.00 H new ATOM 602 N PHE A 40 -1.358 10.082 4.672 1.00 0.00 N ATOM 603 CA PHE A 40 -2.011 8.798 4.896 1.00 0.00 C ATOM 604 C PHE A 40 -1.760 8.301 6.316 1.00 0.00 C ATOM 605 O PHE A 40 -0.802 8.713 6.970 1.00 0.00 O ATOM 606 CB PHE A 40 -1.510 7.764 3.885 1.00 0.00 C ATOM 607 CG PHE A 40 -2.133 7.904 2.526 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.486 7.672 2.342 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.365 8.268 1.431 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.062 7.800 1.092 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.935 8.397 0.179 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.285 8.164 0.009 1.00 0.00 C ATOM 0 H PHE A 40 -0.473 10.023 4.168 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.084 8.936 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.428 7.854 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.714 6.764 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.098 7.388 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.309 8.453 1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.118 7.616 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.325 8.680 -0.666 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.733 8.266 -0.968 1.00 0.00 H new ATOM 622 N ASP A 41 -2.628 7.412 6.787 1.00 0.00 N ATOM 623 CA ASP A 41 -2.502 6.857 8.130 1.00 0.00 C ATOM 624 C ASP A 41 -1.381 5.824 8.187 1.00 0.00 C ATOM 625 O ASP A 41 -1.222 5.014 7.274 1.00 0.00 O ATOM 626 CB ASP A 41 -3.822 6.221 8.568 1.00 0.00 C ATOM 627 CG ASP A 41 -4.512 5.483 7.439 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.876 6.135 6.438 1.00 0.00 O ATOM 629 OD2 ASP A 41 -4.687 4.252 7.555 1.00 0.00 O ATOM 0 H ASP A 41 -3.426 7.060 6.259 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.257 7.671 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.634 5.529 9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.486 6.996 8.951 1.00 0.00 H new ATOM 634 N LYS A 42 -0.606 5.858 9.266 1.00 0.00 N ATOM 635 CA LYS A 42 0.500 4.925 9.444 1.00 0.00 C ATOM 636 C LYS A 42 0.143 3.547 8.897 1.00 0.00 C ATOM 637 O LYS A 42 1.015 2.798 8.458 1.00 0.00 O ATOM 638 CB LYS A 42 0.869 4.817 10.925 1.00 0.00 C ATOM 639 CG LYS A 42 -0.216 4.183 11.778 1.00 0.00 C ATOM 640 CD LYS A 42 0.292 3.854 13.172 1.00 0.00 C ATOM 641 CE LYS A 42 0.338 5.091 14.056 1.00 0.00 C ATOM 642 NZ LYS A 42 0.698 4.756 15.461 1.00 0.00 N ATOM 0 H LYS A 42 -0.724 6.522 10.031 1.00 0.00 H new ATOM 0 HA LYS A 42 1.357 5.306 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.783 4.232 11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.086 5.813 11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.066 4.861 11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.574 3.273 11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.354 3.104 13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.288 3.417 13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.064 5.798 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.633 5.586 14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.719 5.626 16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.008 4.101 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.636 4.306 15.481 1.00 0.00 H new ATOM 656 N MET A 43 -1.145 3.219 8.925 1.00 0.00 N ATOM 657 CA MET A 43 -1.617 1.932 8.429 1.00 0.00 C ATOM 658 C MET A 43 -1.592 1.895 6.904 1.00 0.00 C ATOM 659 O MET A 43 -1.088 0.945 6.303 1.00 0.00 O ATOM 660 CB MET A 43 -3.034 1.654 8.935 1.00 0.00 C ATOM 661 CG MET A 43 -3.093 1.296 10.411 1.00 0.00 C ATOM 662 SD MET A 43 -2.089 -0.146 10.816 1.00 0.00 S ATOM 663 CE MET A 43 -2.838 -1.386 9.763 1.00 0.00 C ATOM 0 H MET A 43 -1.880 3.827 9.286 1.00 0.00 H new ATOM 0 HA MET A 43 -0.947 1.158 8.805 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.653 2.533 8.758 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.465 0.838 8.354 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.754 2.147 11.001 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.128 1.104 10.693 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.489 -2.375 10.061 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.923 -1.339 9.860 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.558 -1.200 8.726 1.00 0.00 H new ATOM 673 N THR A 44 -2.140 2.935 6.282 1.00 0.00 N ATOM 674 CA THR A 44 -2.182 3.020 4.828 1.00 0.00 C ATOM 675 C THR A 44 -0.800 3.309 4.254 1.00 0.00 C ATOM 676 O THR A 44 -0.426 2.772 3.212 1.00 0.00 O ATOM 677 CB THR A 44 -3.159 4.114 4.358 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.471 3.851 4.868 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.205 4.182 2.839 1.00 0.00 C ATOM 0 H THR A 44 -2.561 3.730 6.763 1.00 0.00 H new ATOM 0 HA THR A 44 -2.528 2.052 4.465 1.00 0.00 H new ATOM 0 HB THR A 44 -2.807 5.073 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.052 4.620 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.902 4.962 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.211 4.411 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.536 3.222 2.442 1.00 0.00 H new ATOM 687 N ASN A 45 -0.044 4.159 4.941 1.00 0.00 N ATOM 688 CA ASN A 45 1.298 4.519 4.499 1.00 0.00 C ATOM 689 C ASN A 45 2.006 3.318 3.877 1.00 0.00 C ATOM 690 O ASN A 45 2.717 3.452 2.882 1.00 0.00 O ATOM 691 CB ASN A 45 2.118 5.056 5.674 1.00 0.00 C ATOM 692 CG ASN A 45 3.610 4.997 5.412 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.217 3.927 5.453 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.209 6.151 5.141 1.00 0.00 N ATOM 0 H ASN A 45 -0.338 4.612 5.806 1.00 0.00 H new ATOM 0 HA ASN A 45 1.208 5.298 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.828 6.087 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.886 4.479 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.212 6.174 4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.666 7.014 5.118 1.00 0.00 H new ATOM 701 N MET A 46 1.804 2.147 4.471 1.00 0.00 N ATOM 702 CA MET A 46 2.422 0.923 3.975 1.00 0.00 C ATOM 703 C MET A 46 1.575 0.296 2.871 1.00 0.00 C ATOM 704 O MET A 46 2.104 -0.218 1.885 1.00 0.00 O ATOM 705 CB MET A 46 2.613 -0.077 5.117 1.00 0.00 C ATOM 706 CG MET A 46 1.420 -0.996 5.326 1.00 0.00 C ATOM 707 SD MET A 46 1.549 -1.968 6.839 1.00 0.00 S ATOM 708 CE MET A 46 0.712 -0.894 8.003 1.00 0.00 C ATOM 0 H MET A 46 1.218 2.020 5.296 1.00 0.00 H new ATOM 0 HA MET A 46 3.397 1.180 3.560 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.497 -0.682 4.915 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.806 0.470 6.040 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.508 -0.400 5.359 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.331 -1.669 4.473 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.963 -1.194 9.020 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.029 0.136 7.840 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.366 -0.970 7.858 1.00 0.00 H new ATOM 718 N LYS A 47 0.259 0.341 3.043 1.00 0.00 N ATOM 719 CA LYS A 47 -0.662 -0.221 2.062 1.00 0.00 C ATOM 720 C LYS A 47 -0.401 0.361 0.676 1.00 0.00 C ATOM 721 O LYS A 47 -0.784 -0.226 -0.337 1.00 0.00 O ATOM 722 CB LYS A 47 -2.110 0.050 2.477 1.00 0.00 C ATOM 723 CG LYS A 47 -2.497 -0.599 3.794 1.00 0.00 C ATOM 724 CD LYS A 47 -3.975 -0.952 3.828 1.00 0.00 C ATOM 725 CE LYS A 47 -4.219 -2.376 3.353 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.586 -2.850 3.703 1.00 0.00 N ATOM 0 H LYS A 47 -0.195 0.762 3.854 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.498 -1.298 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.262 1.127 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.777 -0.311 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.903 -1.500 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.264 0.078 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.355 -0.836 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.531 -0.257 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.082 -2.427 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.479 -3.040 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.713 -3.824 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.708 -2.825 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.293 -2.232 3.256 1.00 0.00 H new ATOM 740 N LEU A 48 0.254 1.516 0.638 1.00 0.00 N ATOM 741 CA LEU A 48 0.567 2.176 -0.625 1.00 0.00 C ATOM 742 C LEU A 48 1.978 1.826 -1.087 1.00 0.00 C ATOM 743 O LEU A 48 2.184 1.426 -2.232 1.00 0.00 O ATOM 744 CB LEU A 48 0.428 3.693 -0.478 1.00 0.00 C ATOM 745 CG LEU A 48 -0.972 4.209 -0.147 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.919 5.676 0.251 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.908 4.009 -1.329 1.00 0.00 C ATOM 0 H LEU A 48 0.579 2.015 1.466 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.140 1.823 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.111 4.026 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.755 4.160 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.359 3.638 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.925 6.027 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.283 5.792 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.512 6.262 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.900 4.382 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.526 4.554 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.970 2.947 -1.568 1.00 0.00 H new ATOM 759 N GLU A 49 2.945 1.976 -0.187 1.00 0.00 N ATOM 760 CA GLU A 49 4.336 1.674 -0.503 1.00 0.00 C ATOM 761 C GLU A 49 4.495 0.212 -0.913 1.00 0.00 C ATOM 762 O GLU A 49 5.317 -0.118 -1.767 1.00 0.00 O ATOM 763 CB GLU A 49 5.233 1.979 0.698 1.00 0.00 C ATOM 764 CG GLU A 49 5.258 0.870 1.737 1.00 0.00 C ATOM 765 CD GLU A 49 6.202 -0.257 1.365 1.00 0.00 C ATOM 766 OE1 GLU A 49 6.728 -0.240 0.232 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.417 -1.154 2.206 1.00 0.00 O ATOM 0 H GLU A 49 2.791 2.305 0.766 1.00 0.00 H new ATOM 0 HA GLU A 49 4.637 2.303 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.249 2.158 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.892 2.900 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.556 1.286 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.252 0.470 1.860 1.00 0.00 H new ATOM 774 N VAL A 50 3.703 -0.659 -0.296 1.00 0.00 N ATOM 775 CA VAL A 50 3.755 -2.085 -0.596 1.00 0.00 C ATOM 776 C VAL A 50 3.510 -2.344 -2.079 1.00 0.00 C ATOM 777 O VAL A 50 4.183 -3.171 -2.694 1.00 0.00 O ATOM 778 CB VAL A 50 2.718 -2.870 0.229 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.022 -2.758 1.715 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.312 -2.376 -0.075 1.00 0.00 C ATOM 0 H VAL A 50 3.018 -0.402 0.415 1.00 0.00 H new ATOM 0 HA VAL A 50 4.755 -2.428 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 50 2.777 -3.922 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.279 -3.319 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.013 -3.164 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.992 -1.710 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.592 -2.941 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.236 -1.318 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.099 -2.514 -1.135 1.00 0.00 H new ATOM 790 N ALA A 51 2.543 -1.631 -2.647 1.00 0.00 N ATOM 791 CA ALA A 51 2.211 -1.781 -4.058 1.00 0.00 C ATOM 792 C ALA A 51 3.265 -1.124 -4.943 1.00 0.00 C ATOM 793 O ALA A 51 3.509 -1.566 -6.065 1.00 0.00 O ATOM 794 CB ALA A 51 0.838 -1.191 -4.343 1.00 0.00 C ATOM 0 H ALA A 51 1.976 -0.944 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 51 2.192 -2.846 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.603 -1.310 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.088 -1.708 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.837 -0.131 -4.088 1.00 0.00 H new ATOM 800 N TRP A 52 3.885 -0.067 -4.431 1.00 0.00 N ATOM 801 CA TRP A 52 4.912 0.651 -5.176 1.00 0.00 C ATOM 802 C TRP A 52 6.186 -0.179 -5.285 1.00 0.00 C ATOM 803 O TRP A 52 6.914 -0.091 -6.274 1.00 0.00 O ATOM 804 CB TRP A 52 5.217 1.990 -4.503 1.00 0.00 C ATOM 805 CG TRP A 52 6.142 2.859 -5.301 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.819 4.010 -5.963 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.540 2.646 -5.522 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.932 4.524 -6.582 1.00 0.00 N ATOM 809 CE2 TRP A 52 8.001 3.707 -6.326 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.448 1.664 -5.118 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.329 3.810 -6.733 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.766 1.768 -5.523 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.196 2.835 -6.323 1.00 0.00 C ATOM 0 H TRP A 52 3.694 0.312 -3.503 1.00 0.00 H new ATOM 0 HA TRP A 52 4.534 0.836 -6.182 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.282 2.525 -4.335 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.659 1.804 -3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.833 4.451 -5.995 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.958 5.376 -7.142 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.126 0.838 -4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.662 4.631 -7.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.476 1.014 -5.217 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.232 2.889 -6.622 1.00 0.00 H new ATOM 824 N LYS A 53 6.451 -0.986 -4.264 1.00 0.00 N ATOM 825 CA LYS A 53 7.637 -1.834 -4.245 1.00 0.00 C ATOM 826 C LYS A 53 7.377 -3.148 -4.974 1.00 0.00 C ATOM 827 O LYS A 53 8.288 -3.735 -5.557 1.00 0.00 O ATOM 828 CB LYS A 53 8.065 -2.115 -2.803 1.00 0.00 C ATOM 829 CG LYS A 53 8.479 -0.870 -2.038 1.00 0.00 C ATOM 830 CD LYS A 53 9.923 -0.494 -2.325 1.00 0.00 C ATOM 831 CE LYS A 53 10.892 -1.488 -1.704 1.00 0.00 C ATOM 832 NZ LYS A 53 12.309 -1.063 -1.876 1.00 0.00 N ATOM 0 H LYS A 53 5.860 -1.071 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 53 8.440 -1.305 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.242 -2.598 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.896 -2.820 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.825 -0.041 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.352 -1.040 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.082 -0.454 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.124 0.504 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.671 -1.595 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.749 -2.468 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.938 -1.767 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.527 -0.985 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.452 -0.140 -1.419 1.00 0.00 H new ATOM 846 N ALA A 54 6.129 -3.603 -4.939 1.00 0.00 N ATOM 847 CA ALA A 54 5.750 -4.846 -5.600 1.00 0.00 C ATOM 848 C ALA A 54 5.473 -4.617 -7.082 1.00 0.00 C ATOM 849 O ALA A 54 4.869 -5.458 -7.748 1.00 0.00 O ATOM 850 CB ALA A 54 4.532 -5.454 -4.921 1.00 0.00 C ATOM 0 H ALA A 54 5.363 -3.130 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 54 6.584 -5.543 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.260 -6.382 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.764 -5.663 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.698 -4.754 -4.975 1.00 0.00 H new ATOM 856 N LYS A 55 5.916 -3.473 -7.592 1.00 0.00 N ATOM 857 CA LYS A 55 5.717 -3.132 -8.996 1.00 0.00 C ATOM 858 C LYS A 55 4.250 -3.281 -9.388 1.00 0.00 C ATOM 859 O LYS A 55 3.934 -3.715 -10.496 1.00 0.00 O ATOM 860 CB LYS A 55 6.587 -4.022 -9.886 1.00 0.00 C ATOM 861 CG LYS A 55 8.076 -3.875 -9.625 1.00 0.00 C ATOM 862 CD LYS A 55 8.897 -4.259 -10.844 1.00 0.00 C ATOM 863 CE LYS A 55 8.887 -3.157 -11.892 1.00 0.00 C ATOM 864 NZ LYS A 55 9.653 -3.542 -13.110 1.00 0.00 N ATOM 0 H LYS A 55 6.416 -2.765 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 55 6.009 -2.091 -9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.301 -5.063 -9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.385 -3.785 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.297 -2.845 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.362 -4.502 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.924 -4.466 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.500 -5.178 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.858 -2.928 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.313 -2.248 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.622 -2.764 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.641 -3.736 -12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.231 -4.395 -13.530 1.00 0.00 H new ATOM 878 N LYS A 56 3.358 -2.916 -8.474 1.00 0.00 N ATOM 879 CA LYS A 56 1.924 -3.006 -8.725 1.00 0.00 C ATOM 880 C LYS A 56 1.457 -1.866 -9.624 1.00 0.00 C ATOM 881 O LYS A 56 2.183 -0.896 -9.843 1.00 0.00 O ATOM 882 CB LYS A 56 1.152 -2.977 -7.404 1.00 0.00 C ATOM 883 CG LYS A 56 1.264 -4.265 -6.606 1.00 0.00 C ATOM 884 CD LYS A 56 0.153 -5.239 -6.959 1.00 0.00 C ATOM 885 CE LYS A 56 -1.065 -5.041 -6.069 1.00 0.00 C ATOM 886 NZ LYS A 56 -2.271 -5.716 -6.623 1.00 0.00 N ATOM 0 H LYS A 56 3.603 -2.555 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 56 1.727 -3.950 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.519 -2.150 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.101 -2.778 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.231 -4.730 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.225 -4.038 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.132 -5.105 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.518 -6.261 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.855 -5.432 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.264 -3.975 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.080 -5.558 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.487 -5.325 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.090 -6.737 -6.706 1.00 0.00 H new ATOM 900 N LYS A 57 0.240 -1.988 -10.142 1.00 0.00 N ATOM 901 CA LYS A 57 -0.327 -0.967 -11.015 1.00 0.00 C ATOM 902 C LYS A 57 -1.195 0.006 -10.224 1.00 0.00 C ATOM 903 O LYS A 57 -1.264 1.193 -10.544 1.00 0.00 O ATOM 904 CB LYS A 57 -1.154 -1.618 -12.126 1.00 0.00 C ATOM 905 CG LYS A 57 -1.372 -0.717 -13.330 1.00 0.00 C ATOM 906 CD LYS A 57 -2.410 0.355 -13.043 1.00 0.00 C ATOM 907 CE LYS A 57 -3.167 0.749 -14.302 1.00 0.00 C ATOM 908 NZ LYS A 57 -3.989 -0.374 -14.829 1.00 0.00 N ATOM 0 H LYS A 57 -0.374 -2.785 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 57 0.496 -0.410 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.655 -2.531 -12.451 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.123 -1.911 -11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.429 -0.247 -13.609 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.693 -1.317 -14.181 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.113 -0.009 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.921 1.233 -12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.812 1.601 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.459 1.070 -15.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.790 0.007 -15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.404 -0.972 -15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.348 -0.943 -14.036 1.00 0.00 H new ATOM 922 N ASP A 58 -1.854 -0.504 -9.189 1.00 0.00 N ATOM 923 CA ASP A 58 -2.716 0.320 -8.350 1.00 0.00 C ATOM 924 C ASP A 58 -3.055 -0.399 -7.048 1.00 0.00 C ATOM 925 O ASP A 58 -3.141 -1.627 -7.008 1.00 0.00 O ATOM 926 CB ASP A 58 -4.001 0.679 -9.099 1.00 0.00 C ATOM 927 CG ASP A 58 -4.599 -0.510 -9.825 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.353 -1.655 -9.392 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.311 -0.295 -10.829 1.00 0.00 O ATOM 0 H ASP A 58 -1.808 -1.484 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.178 1.237 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.731 1.075 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.790 1.471 -9.817 1.00 0.00 H new ATOM 934 N THR A 59 -3.247 0.374 -5.984 1.00 0.00 N ATOM 935 CA THR A 59 -3.575 -0.188 -4.680 1.00 0.00 C ATOM 936 C THR A 59 -4.767 0.528 -4.056 1.00 0.00 C ATOM 937 O THR A 59 -4.804 1.757 -3.995 1.00 0.00 O ATOM 938 CB THR A 59 -2.378 -0.104 -3.715 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.683 -0.788 -2.494 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.026 1.346 -3.415 1.00 0.00 C ATOM 0 H THR A 59 -3.181 1.392 -6.000 1.00 0.00 H new ATOM 0 HA THR A 59 -3.829 -1.236 -4.843 1.00 0.00 H new ATOM 0 HB THR A 59 -1.521 -0.579 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.004 -0.573 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.178 1.381 -2.731 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.766 1.857 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.882 1.841 -2.956 1.00 0.00 H new ATOM 948 N VAL A 60 -5.742 -0.249 -3.592 1.00 0.00 N ATOM 949 CA VAL A 60 -6.936 0.312 -2.971 1.00 0.00 C ATOM 950 C VAL A 60 -6.711 0.575 -1.486 1.00 0.00 C ATOM 951 O VAL A 60 -6.070 -0.217 -0.794 1.00 0.00 O ATOM 952 CB VAL A 60 -8.147 -0.625 -3.137 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.267 -0.222 -2.190 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.630 -0.620 -4.580 1.00 0.00 C ATOM 0 H VAL A 60 -5.728 -1.268 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.143 1.255 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.838 -1.639 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.114 -0.895 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.912 -0.281 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.578 0.800 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.486 -1.287 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.923 0.391 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.827 -0.960 -5.234 1.00 0.00 H new ATOM 964 N VAL A 61 -7.242 1.693 -1.002 1.00 0.00 N ATOM 965 CA VAL A 61 -7.101 2.061 0.402 1.00 0.00 C ATOM 966 C VAL A 61 -8.359 2.748 0.919 1.00 0.00 C ATOM 967 O VAL A 61 -9.119 3.334 0.149 1.00 0.00 O ATOM 968 CB VAL A 61 -5.894 2.993 0.619 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.597 2.277 0.276 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.046 4.262 -0.206 1.00 0.00 C ATOM 0 H VAL A 61 -7.774 2.360 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.941 1.137 0.957 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.859 3.273 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.756 2.952 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.485 1.401 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.619 1.965 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.184 4.909 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.108 4.004 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.955 4.784 0.094 1.00 0.00 H new ATOM 980 N GLN A 62 -8.573 2.671 2.229 1.00 0.00 N ATOM 981 CA GLN A 62 -9.741 3.286 2.849 1.00 0.00 C ATOM 982 C GLN A 62 -9.493 4.764 3.130 1.00 0.00 C ATOM 983 O GLN A 62 -8.746 5.115 4.045 1.00 0.00 O ATOM 984 CB GLN A 62 -10.096 2.560 4.148 1.00 0.00 C ATOM 985 CG GLN A 62 -10.678 1.173 3.929 1.00 0.00 C ATOM 986 CD GLN A 62 -9.610 0.105 3.799 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.715 0.001 4.639 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.698 -0.695 2.744 1.00 0.00 N ATOM 0 H GLN A 62 -7.954 2.189 2.881 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.577 3.203 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.201 2.476 4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.813 3.162 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.336 0.924 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.292 1.179 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.457 -0.573 2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.007 -1.432 2.604 1.00 0.00 H new ATOM 997 N ILE A 63 -10.122 5.626 2.339 1.00 0.00 N ATOM 998 CA ILE A 63 -9.970 7.066 2.504 1.00 0.00 C ATOM 999 C ILE A 63 -11.312 7.732 2.791 1.00 0.00 C ATOM 1000 O ILE A 63 -12.246 7.638 1.994 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.346 7.713 1.254 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -7.969 7.108 0.973 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.242 9.220 1.433 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.366 7.561 -0.338 1.00 0.00 C ATOM 0 H ILE A 63 -10.742 5.352 1.577 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.303 7.217 3.353 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.991 7.512 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.292 7.373 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.053 6.021 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.799 9.663 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.237 9.637 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.616 9.441 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.391 7.093 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.022 7.273 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.250 8.645 -0.330 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.400 8.405 3.934 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.627 9.089 4.325 1.00 0.00 C ATOM 1018 C HIS A 64 -13.761 8.091 4.538 1.00 0.00 C ATOM 1019 O HIS A 64 -14.915 8.371 4.218 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.026 10.113 3.263 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.015 11.201 3.069 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.347 12.472 2.652 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.672 11.201 3.238 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.252 13.207 2.572 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.222 12.459 2.923 1.00 0.00 N ATOM 0 H HIS A 64 -10.637 8.491 4.605 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.441 9.607 5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.180 9.599 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.980 10.560 3.542 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.291 12.795 2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.067 10.367 3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.207 14.243 2.271 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.423 6.926 5.080 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.413 5.885 5.335 1.00 0.00 C ATOM 1036 C ASN A 65 -14.976 5.338 4.026 1.00 0.00 C ATOM 1037 O ASN A 65 -16.098 4.834 3.985 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.549 6.434 6.201 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.042 7.081 7.476 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -13.984 7.709 7.488 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -15.799 6.930 8.557 1.00 0.00 N ATOM 0 H ASN A 65 -12.471 6.679 5.351 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.920 5.071 5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.119 7.165 5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.233 5.624 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.510 7.343 9.444 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.669 6.401 8.500 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.188 5.441 2.961 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.608 4.956 1.651 1.00 0.00 C ATOM 1050 C GLN A 66 -13.419 4.414 0.865 1.00 0.00 C ATOM 1051 O GLN A 66 -12.396 5.085 0.726 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.287 6.077 0.863 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.737 7.460 1.175 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.756 8.559 0.946 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.653 8.769 1.763 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.624 9.267 -0.169 1.00 0.00 N ATOM 0 H GLN A 66 -13.256 5.855 2.979 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.320 4.145 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.172 5.881 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.356 6.064 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.404 7.489 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.861 7.647 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.866 9.059 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.281 10.019 -0.376 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.561 3.196 0.353 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.499 2.563 -0.420 1.00 0.00 C ATOM 1067 C ASP A 67 -12.187 3.370 -1.677 1.00 0.00 C ATOM 1068 O ASP A 67 -13.091 3.767 -2.412 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.896 1.136 -0.800 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.186 1.087 -1.596 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.966 2.060 -1.521 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -14.416 0.076 -2.292 1.00 0.00 O ATOM 0 H ASP A 67 -14.401 2.628 0.459 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.603 2.529 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.095 0.682 -1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.008 0.540 0.106 1.00 0.00 H new ATOM 1077 N PHE A 68 -10.902 3.610 -1.916 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.471 4.371 -3.083 1.00 0.00 C ATOM 1079 C PHE A 68 -9.385 3.622 -3.850 1.00 0.00 C ATOM 1080 O PHE A 68 -8.630 2.837 -3.275 1.00 0.00 O ATOM 1081 CB PHE A 68 -9.955 5.747 -2.658 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.016 6.810 -2.652 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.201 6.620 -1.959 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.829 7.999 -3.338 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.179 7.596 -1.952 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.803 8.979 -3.334 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.980 8.777 -2.639 1.00 0.00 C ATOM 0 H PHE A 68 -10.141 3.289 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.331 4.500 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.522 5.672 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.153 6.049 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.362 5.699 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.911 8.162 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.099 7.435 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.645 9.901 -3.873 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.743 9.541 -2.633 1.00 0.00 H new ATOM 1097 N THR A 69 -9.312 3.870 -5.154 1.00 0.00 N ATOM 1098 CA THR A 69 -8.320 3.220 -6.002 1.00 0.00 C ATOM 1099 C THR A 69 -7.144 4.147 -6.282 1.00 0.00 C ATOM 1100 O THR A 69 -7.266 5.110 -7.039 1.00 0.00 O ATOM 1101 CB THR A 69 -8.935 2.769 -7.340 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.107 1.981 -7.101 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.932 1.962 -8.151 1.00 0.00 C ATOM 0 H THR A 69 -9.928 4.517 -5.646 1.00 0.00 H new ATOM 0 HA THR A 69 -7.966 2.343 -5.460 1.00 0.00 H new ATOM 0 HB THR A 69 -9.206 3.659 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.492 1.700 -7.957 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.388 1.654 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.054 2.574 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.634 1.079 -7.586 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.002 3.850 -5.669 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.802 4.656 -5.854 1.00 0.00 C ATOM 1113 C VAL A 70 -3.915 4.077 -6.951 1.00 0.00 C ATOM 1114 O VAL A 70 -3.377 2.978 -6.813 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.987 4.758 -4.551 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.664 5.464 -4.802 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.790 5.477 -3.477 1.00 0.00 C ATOM 0 H VAL A 70 -5.883 3.056 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.133 5.653 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.771 3.750 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.102 5.527 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.086 4.904 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.854 6.469 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.200 5.541 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.038 6.482 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.708 4.924 -3.278 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.766 4.823 -8.039 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.943 4.385 -9.160 1.00 0.00 C ATOM 1129 C ASP A 71 -1.512 4.894 -9.015 1.00 0.00 C ATOM 1130 O ASP A 71 -1.279 6.098 -8.898 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.539 4.874 -10.481 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.251 3.930 -11.631 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -2.186 4.075 -12.265 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.092 3.045 -11.898 1.00 0.00 O ATOM 0 H ASP A 71 -4.205 5.735 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.924 3.295 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.617 4.988 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.137 5.860 -10.715 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.557 3.970 -9.023 1.00 0.00 N ATOM 1140 CA LEU A 72 0.852 4.325 -8.891 1.00 0.00 C ATOM 1141 C LEU A 72 1.384 4.930 -10.186 1.00 0.00 C ATOM 1142 O LEU A 72 2.108 5.926 -10.165 1.00 0.00 O ATOM 1143 CB LEU A 72 1.675 3.092 -8.514 1.00 0.00 C ATOM 1144 CG LEU A 72 1.258 2.373 -7.231 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.704 0.919 -7.265 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.831 3.080 -6.012 1.00 0.00 C ATOM 0 H LEU A 72 -0.733 2.970 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 72 0.942 5.070 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.625 2.380 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.718 3.392 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 72 0.170 2.397 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.399 0.423 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.245 0.417 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.789 0.873 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.524 2.554 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.919 3.089 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.461 4.105 -5.979 1.00 0.00 H new ATOM 1158 N SER A 73 1.019 4.324 -11.311 1.00 0.00 N ATOM 1159 CA SER A 73 1.461 4.802 -12.615 1.00 0.00 C ATOM 1160 C SER A 73 1.408 6.325 -12.682 1.00 0.00 C ATOM 1161 O SER A 73 2.390 6.979 -13.037 1.00 0.00 O ATOM 1162 CB SER A 73 0.595 4.201 -13.723 1.00 0.00 C ATOM 1163 OG SER A 73 1.308 4.128 -14.946 1.00 0.00 O ATOM 0 H SER A 73 0.418 3.501 -11.345 1.00 0.00 H new ATOM 0 HA SER A 73 2.494 4.485 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.266 3.204 -13.431 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.301 4.806 -13.857 1.00 0.00 H new ATOM 0 HG SER A 73 0.733 3.739 -15.637 1.00 0.00 H new ATOM 1169 N THR A 74 0.252 6.886 -12.339 1.00 0.00 N ATOM 1170 CA THR A 74 0.068 8.332 -12.361 1.00 0.00 C ATOM 1171 C THR A 74 0.138 8.916 -10.954 1.00 0.00 C ATOM 1172 O THR A 74 0.355 10.115 -10.780 1.00 0.00 O ATOM 1173 CB THR A 74 -1.280 8.717 -12.998 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.385 10.141 -13.100 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.441 8.176 -12.176 1.00 0.00 C ATOM 0 H THR A 74 -0.571 6.361 -12.043 1.00 0.00 H new ATOM 0 HA THR A 74 0.877 8.745 -12.964 1.00 0.00 H new ATOM 0 HB THR A 74 -1.324 8.277 -13.994 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.244 10.377 -13.507 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.383 8.460 -12.645 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.375 7.089 -12.124 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.398 8.590 -11.169 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.045 8.061 -9.953 1.00 0.00 N ATOM 1184 CA ASN A 75 -0.003 8.494 -8.561 1.00 0.00 C ATOM 1185 C ASN A 75 -1.214 9.357 -8.222 1.00 0.00 C ATOM 1186 O ASN A 75 -1.077 10.461 -7.694 1.00 0.00 O ATOM 1187 CB ASN A 75 1.285 9.273 -8.287 1.00 0.00 C ATOM 1188 CG ASN A 75 2.474 8.710 -9.043 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.581 8.867 -10.259 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.373 8.049 -8.323 1.00 0.00 N ATOM 0 H ASN A 75 -0.224 7.065 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.025 7.606 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.141 10.317 -8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.496 9.255 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.194 7.647 -8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.243 7.944 -7.317 1.00 0.00 H new ATOM 1197 N THR A 76 -2.403 8.846 -8.530 1.00 0.00 N ATOM 1198 CA THR A 76 -3.638 9.569 -8.259 1.00 0.00 C ATOM 1199 C THR A 76 -4.734 8.625 -7.777 1.00 0.00 C ATOM 1200 O THR A 76 -4.906 7.533 -8.317 1.00 0.00 O ATOM 1201 CB THR A 76 -4.136 10.319 -9.509 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.162 11.284 -9.922 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.460 11.015 -9.231 1.00 0.00 C ATOM 0 H THR A 76 -2.535 7.934 -8.967 1.00 0.00 H new ATOM 0 HA THR A 76 -3.415 10.292 -7.475 1.00 0.00 H new ATOM 0 HB THR A 76 -4.286 9.591 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.485 11.755 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.792 11.538 -10.128 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.207 10.275 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.331 11.732 -8.420 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.472 9.053 -6.758 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.553 8.246 -6.206 1.00 0.00 C ATOM 1213 C ALA A 77 -7.887 8.597 -6.855 1.00 0.00 C ATOM 1214 O ALA A 77 -8.107 9.734 -7.271 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.632 8.431 -4.698 1.00 0.00 C ATOM 0 H ALA A 77 -5.341 9.954 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.339 7.199 -6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.444 7.823 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.690 8.123 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.819 9.480 -4.469 1.00 0.00 H new ATOM 1221 N THR A 78 -8.776 7.612 -6.939 1.00 0.00 N ATOM 1222 CA THR A 78 -10.088 7.816 -7.539 1.00 0.00 C ATOM 1223 C THR A 78 -11.122 6.871 -6.938 1.00 0.00 C ATOM 1224 O THR A 78 -10.795 5.755 -6.535 1.00 0.00 O ATOM 1225 CB THR A 78 -10.047 7.609 -9.065 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.951 8.339 -9.629 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.349 8.061 -9.709 1.00 0.00 C ATOM 0 H THR A 78 -8.611 6.665 -6.599 1.00 0.00 H new ATOM 0 HA THR A 78 -10.374 8.846 -7.327 1.00 0.00 H new ATOM 0 HB THR A 78 -9.914 6.545 -9.261 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.931 8.201 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.295 7.905 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.177 7.483 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.508 9.119 -9.503 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.370 7.324 -6.880 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.451 6.517 -6.330 1.00 0.00 C ATOM 1237 C ALA A 79 -14.720 6.656 -7.165 1.00 0.00 C ATOM 1238 O ALA A 79 -14.945 7.666 -7.832 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.722 6.912 -4.886 1.00 0.00 C ATOM 0 H ALA A 79 -12.657 8.246 -7.208 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.142 5.472 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.532 6.301 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.822 6.755 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.006 7.963 -4.844 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.569 5.618 -7.130 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.829 5.601 -7.879 1.00 0.00 C ATOM 1247 C PRO A 80 -17.851 6.582 -7.316 1.00 0.00 C ATOM 1248 O PRO A 80 -18.986 6.649 -7.788 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.321 4.162 -7.712 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.698 3.693 -6.443 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.364 4.382 -6.357 1.00 0.00 C ATOM 0 HA PRO A 80 -16.690 5.901 -8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.409 4.119 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.019 3.540 -8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.323 3.944 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.578 2.610 -6.444 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.087 4.595 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.568 3.770 -6.781 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.441 7.342 -6.305 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.323 8.319 -5.678 1.00 0.00 C ATOM 1261 C GLN A 81 -18.220 9.672 -6.375 1.00 0.00 C ATOM 1262 O GLN A 81 -19.212 10.384 -6.520 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.980 8.469 -4.195 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.771 7.143 -3.481 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.148 7.204 -2.014 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -18.773 8.164 -1.561 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.770 6.177 -1.262 1.00 0.00 N ATOM 0 H GLN A 81 -16.504 7.300 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.348 7.959 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.076 9.070 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.781 9.017 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.365 6.372 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.726 6.847 -3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.254 5.402 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.996 6.163 -0.267 1.00 0.00 H new ATOM 1276 N GLY A 82 -17.011 10.019 -6.805 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.800 11.286 -7.482 1.00 0.00 C ATOM 1278 C GLY A 82 -15.715 12.119 -6.828 1.00 0.00 C ATOM 1279 O GLY A 82 -15.807 13.346 -6.787 1.00 0.00 O ATOM 0 H GLY A 82 -16.174 9.446 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.533 11.099 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.732 11.850 -7.489 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.687 11.451 -6.315 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.582 12.139 -5.658 1.00 0.00 C ATOM 1285 C GLN A 83 -12.240 11.603 -6.146 1.00 0.00 C ATOM 1286 O GLN A 83 -12.070 10.397 -6.328 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.686 11.982 -4.140 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.483 13.088 -3.467 1.00 0.00 C ATOM 1289 CD GLN A 83 -15.191 12.616 -2.212 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -14.972 13.149 -1.124 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.047 11.610 -2.357 1.00 0.00 N ATOM 0 H GLN A 83 -14.596 10.435 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.644 13.197 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.150 11.022 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.682 11.959 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.814 13.911 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.219 13.479 -4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.198 11.198 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -16.553 11.250 -1.548 1.00 0.00 H new ATOM 1300 N THR A 84 -11.288 12.507 -6.356 1.00 0.00 N ATOM 1301 CA THR A 84 -9.962 12.125 -6.824 1.00 0.00 C ATOM 1302 C THR A 84 -8.876 12.917 -6.105 1.00 0.00 C ATOM 1303 O THR A 84 -9.058 14.093 -5.789 1.00 0.00 O ATOM 1304 CB THR A 84 -9.818 12.341 -8.343 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.857 13.740 -8.644 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.926 11.623 -9.098 1.00 0.00 C ATOM 0 H THR A 84 -11.411 13.509 -6.209 1.00 0.00 H new ATOM 0 HA THR A 84 -9.842 11.065 -6.602 1.00 0.00 H new ATOM 0 HB THR A 84 -8.859 11.929 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.763 13.869 -9.611 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.804 11.790 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.875 10.554 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.894 12.010 -8.779 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.746 12.266 -5.850 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.630 12.911 -5.168 1.00 0.00 C ATOM 1316 C PHE A 85 -5.301 12.520 -5.809 1.00 0.00 C ATOM 1317 O PHE A 85 -5.256 11.687 -6.714 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.624 12.532 -3.685 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.992 12.247 -3.134 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.910 13.269 -2.959 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.359 10.955 -2.791 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.170 13.009 -2.453 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.617 10.690 -2.284 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.523 11.718 -2.114 1.00 0.00 C ATOM 0 H PHE A 85 -7.579 11.293 -6.105 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.755 13.990 -5.261 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.994 11.653 -3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.172 13.342 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.638 14.281 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.654 10.147 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.877 13.815 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.891 9.679 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.506 11.513 -1.717 1.00 0.00 H new ATOM 1334 N THR A 86 -4.219 13.129 -5.333 1.00 0.00 N ATOM 1335 CA THR A 86 -2.890 12.847 -5.859 1.00 0.00 C ATOM 1336 C THR A 86 -1.971 12.304 -4.771 1.00 0.00 C ATOM 1337 O THR A 86 -1.786 12.934 -3.729 1.00 0.00 O ATOM 1338 CB THR A 86 -2.251 14.106 -6.474 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.134 14.682 -7.442 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.919 13.772 -7.129 1.00 0.00 C ATOM 0 H THR A 86 -4.238 13.821 -4.584 1.00 0.00 H new ATOM 0 HA THR A 86 -3.012 12.093 -6.637 1.00 0.00 H new ATOM 0 HB THR A 86 -2.074 14.824 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.720 15.483 -7.827 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.487 14.677 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.239 13.363 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.076 13.037 -7.918 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.397 11.131 -5.018 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.495 10.504 -4.060 1.00 0.00 C ATOM 1350 C VAL A 87 0.962 10.783 -4.411 1.00 0.00 C ATOM 1351 O VAL A 87 1.368 10.650 -5.565 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.713 8.980 -3.998 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.971 8.653 -3.207 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.788 8.395 -5.400 1.00 0.00 C ATOM 0 H VAL A 87 -1.541 10.596 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.720 10.937 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 87 0.137 8.529 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.109 7.572 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.873 9.038 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.833 9.114 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.942 7.318 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.619 8.850 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.143 8.598 -5.929 1.00 0.00 H new ATOM 1364 N GLN A 88 1.743 11.172 -3.408 1.00 0.00 N ATOM 1365 CA GLN A 88 3.155 11.471 -3.612 1.00 0.00 C ATOM 1366 C GLN A 88 4.025 10.681 -2.639 1.00 0.00 C ATOM 1367 O GLN A 88 3.671 10.512 -1.472 1.00 0.00 O ATOM 1368 CB GLN A 88 3.411 12.969 -3.442 1.00 0.00 C ATOM 1369 CG GLN A 88 2.953 13.516 -2.099 1.00 0.00 C ATOM 1370 CD GLN A 88 2.653 15.001 -2.146 1.00 0.00 C ATOM 1371 OE1 GLN A 88 2.903 15.665 -3.152 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.116 15.531 -1.053 1.00 0.00 N ATOM 0 H GLN A 88 1.422 11.287 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 88 3.419 11.178 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.477 13.163 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.899 13.509 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.061 12.979 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.725 13.328 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.926 14.943 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.894 16.526 -1.025 1.00 0.00 H new ATOM 1381 N ARG A 89 5.163 10.199 -3.128 1.00 0.00 N ATOM 1382 CA ARG A 89 6.082 9.425 -2.302 1.00 0.00 C ATOM 1383 C ARG A 89 7.202 10.309 -1.761 1.00 0.00 C ATOM 1384 O ARG A 89 7.809 11.083 -2.502 1.00 0.00 O ATOM 1385 CB ARG A 89 6.675 8.268 -3.108 1.00 0.00 C ATOM 1386 CG ARG A 89 7.243 7.153 -2.245 1.00 0.00 C ATOM 1387 CD ARG A 89 7.284 5.832 -2.997 1.00 0.00 C ATOM 1388 NE ARG A 89 7.643 4.717 -2.125 1.00 0.00 N ATOM 1389 CZ ARG A 89 8.895 4.383 -1.836 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.904 5.076 -2.346 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.141 3.355 -1.034 1.00 0.00 N ATOM 0 H ARG A 89 5.471 10.331 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 89 5.521 9.021 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.903 7.856 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.464 8.653 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.249 7.419 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.637 7.042 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.310 5.641 -3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.004 5.901 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 89 6.890 4.164 -1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.719 5.868 -2.962 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.865 4.817 -2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.368 2.820 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.103 3.100 -0.813 1.00 0.00 H new ATOM 1405 N LEU A 90 7.470 10.188 -0.466 1.00 0.00 N ATOM 1406 CA LEU A 90 8.518 10.976 0.175 1.00 0.00 C ATOM 1407 C LEU A 90 9.372 10.105 1.090 1.00 0.00 C ATOM 1408 O LEU A 90 8.868 9.191 1.743 1.00 0.00 O ATOM 1409 CB LEU A 90 7.901 12.125 0.976 1.00 0.00 C ATOM 1410 CG LEU A 90 6.749 12.870 0.302 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.416 12.240 0.672 1.00 0.00 C ATOM 1412 CD2 LEU A 90 6.769 14.343 0.686 1.00 0.00 C ATOM 0 H LEU A 90 6.977 9.552 0.161 1.00 0.00 H new ATOM 0 HA LEU A 90 9.158 11.387 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.544 11.728 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.687 12.844 1.206 1.00 0.00 H new ATOM 0 HG LEU A 90 6.876 12.794 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.608 12.784 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.402 11.200 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.280 12.284 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.942 14.858 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.668 14.439 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.712 14.789 0.369 1.00 0.00 H new