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 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.158) USER MOD Single : A 30 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.59) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= -0.603 (180deg=-1.83!) USER MOD Single : A 43 MET CE :methyl 152:sc= 0 (180deg=-0.803) USER MOD Single : A 45 ASN : amide:sc= 0.0785 K(o=0.079,f=-3.3!) USER MOD Single : A 46 MET CE :methyl -151:sc= -0.029 (180deg=-0.466) USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= -0.25 (180deg=-0.676) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -175:sc= 0.0471 USER MOD Single : A 62 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.3!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.03! K(o=-3!,f=-0.17) USER MOD Single : A 66 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2!) 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 74 THR OG1 : rot -30:sc= 0.161 USER MOD Single : A 75 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 81 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.5) USER MOD Single : A 83 GLN : amide:sc= -1.65 K(o=-1.7,f=-8.3!) 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= -1.49 X(o=-1.5,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.104 7.748 3.577 1.00 0.00 N ATOM 398 CA GLU A 28 5.900 8.490 3.934 1.00 0.00 C ATOM 399 C GLU A 28 5.055 8.783 2.698 1.00 0.00 C ATOM 400 O GLU A 28 5.542 9.353 1.721 1.00 0.00 O ATOM 401 CB GLU A 28 6.270 9.799 4.635 1.00 0.00 C ATOM 402 CG GLU A 28 5.188 10.316 5.569 1.00 0.00 C ATOM 403 CD GLU A 28 4.939 9.389 6.742 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.926 8.913 7.342 1.00 0.00 O ATOM 405 OE2 GLU A 28 3.758 9.139 7.061 1.00 0.00 O ATOM 0 HA GLU A 28 5.313 7.874 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.188 9.650 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.481 10.558 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.475 11.299 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.261 10.445 5.010 1.00 0.00 H new ATOM 412 N TRP A 29 3.788 8.389 2.748 1.00 0.00 N ATOM 413 CA TRP A 29 2.874 8.609 1.633 1.00 0.00 C ATOM 414 C TRP A 29 1.799 9.625 2.002 1.00 0.00 C ATOM 415 O TRP A 29 1.117 9.478 3.016 1.00 0.00 O ATOM 416 CB TRP A 29 2.224 7.290 1.212 1.00 0.00 C ATOM 417 CG TRP A 29 3.152 6.384 0.461 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.208 5.685 0.973 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.108 6.080 -0.938 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.823 4.965 -0.023 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.167 5.190 -1.205 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.277 6.472 -1.990 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.414 4.689 -2.480 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.523 5.974 -3.255 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.584 5.089 -3.491 1.00 0.00 C ATOM 0 H TRP A 29 3.370 7.915 3.549 1.00 0.00 H new ATOM 0 HA TRP A 29 3.450 9.006 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.862 6.772 2.100 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.354 7.504 0.591 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.515 5.696 2.009 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.636 4.361 0.098 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.456 7.153 -1.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.232 4.008 -2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.887 6.272 -4.076 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.749 4.716 -4.491 1.00 0.00 H new ATOM 436 N GLN A 30 1.653 10.653 1.172 1.00 0.00 N ATOM 437 CA GLN A 30 0.660 11.693 1.413 1.00 0.00 C ATOM 438 C GLN A 30 -0.224 11.896 0.187 1.00 0.00 C ATOM 439 O GLN A 30 0.214 11.699 -0.946 1.00 0.00 O ATOM 440 CB GLN A 30 1.347 13.008 1.785 1.00 0.00 C ATOM 441 CG GLN A 30 2.338 12.875 2.930 1.00 0.00 C ATOM 442 CD GLN A 30 2.690 14.210 3.555 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.811 14.965 3.971 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.982 14.508 3.626 1.00 0.00 N ATOM 0 H GLN A 30 2.209 10.788 0.328 1.00 0.00 H new ATOM 0 HA GLN A 30 0.030 11.373 2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.867 13.397 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.587 13.741 2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.919 12.220 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.248 12.398 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.677 13.852 3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.279 15.392 4.038 1.00 0.00 H new ATOM 453 N TYR A 31 -1.471 12.290 0.422 1.00 0.00 N ATOM 454 CA TYR A 31 -2.418 12.517 -0.663 1.00 0.00 C ATOM 455 C TYR A 31 -2.889 13.968 -0.680 1.00 0.00 C ATOM 456 O TYR A 31 -3.126 14.568 0.369 1.00 0.00 O ATOM 457 CB TYR A 31 -3.619 11.581 -0.524 1.00 0.00 C ATOM 458 CG TYR A 31 -4.458 11.851 0.704 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.018 11.472 1.967 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.691 12.483 0.603 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.782 11.716 3.092 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.461 12.732 1.723 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.002 12.347 2.965 1.00 0.00 C ATOM 464 OH TYR A 31 -6.766 12.592 4.083 1.00 0.00 O ATOM 0 H TYR A 31 -1.849 12.459 1.354 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.910 12.308 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.247 11.675 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.264 10.551 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.063 10.979 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.054 12.785 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.426 11.414 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.417 13.225 1.626 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.595 13.044 3.820 1.00 0.00 H new ATOM 474 N ILE A 32 -3.023 14.525 -1.879 1.00 0.00 N ATOM 475 CA ILE A 32 -3.468 15.905 -2.034 1.00 0.00 C ATOM 476 C ILE A 32 -4.976 15.976 -2.246 1.00 0.00 C ATOM 477 O ILE A 32 -5.483 15.605 -3.305 1.00 0.00 O ATOM 478 CB ILE A 32 -2.762 16.594 -3.217 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.336 16.989 -2.827 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.551 17.815 -3.666 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.308 15.925 -3.140 1.00 0.00 C ATOM 0 H ILE A 32 -2.830 14.043 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.208 16.426 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.710 15.892 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.067 17.908 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.307 17.208 -1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.040 18.291 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.549 17.508 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.630 18.521 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.680 16.273 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.553 15.012 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.309 15.722 -4.211 1.00 0.00 H new ATOM 493 N ASP A 33 -5.688 16.456 -1.233 1.00 0.00 N ATOM 494 CA ASP A 33 -7.140 16.579 -1.308 1.00 0.00 C ATOM 495 C ASP A 33 -7.540 17.735 -2.220 1.00 0.00 C ATOM 496 O ASP A 33 -6.707 18.557 -2.601 1.00 0.00 O ATOM 497 CB ASP A 33 -7.729 16.787 0.088 1.00 0.00 C ATOM 498 CG ASP A 33 -9.245 16.813 0.078 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.856 15.733 -0.060 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.819 17.914 0.210 1.00 0.00 O ATOM 0 H ASP A 33 -5.284 16.767 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.537 15.654 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.386 15.989 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.355 17.724 0.501 1.00 0.00 H new ATOM 505 N LYS A 34 -8.821 17.790 -2.568 1.00 0.00 N ATOM 506 CA LYS A 34 -9.334 18.844 -3.436 1.00 0.00 C ATOM 507 C LYS A 34 -8.507 20.117 -3.292 1.00 0.00 C ATOM 508 O LYS A 34 -7.753 20.483 -4.192 1.00 0.00 O ATOM 509 CB LYS A 34 -10.800 19.136 -3.106 1.00 0.00 C ATOM 510 CG LYS A 34 -11.704 17.922 -3.229 1.00 0.00 C ATOM 511 CD LYS A 34 -13.134 18.248 -2.830 1.00 0.00 C ATOM 512 CE LYS A 34 -13.305 18.241 -1.318 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.724 18.460 -0.920 1.00 0.00 N ATOM 0 H LYS A 34 -9.524 17.117 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.262 18.499 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.864 19.525 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.165 19.919 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.686 17.557 -4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.324 17.119 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.409 19.226 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.813 17.522 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.958 17.288 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.680 19.018 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.799 18.448 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.048 19.380 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.317 17.704 -1.319 1.00 0.00 H new ATOM 527 N ASN A 35 -8.653 20.788 -2.153 1.00 0.00 N ATOM 528 CA ASN A 35 -7.918 22.020 -1.892 1.00 0.00 C ATOM 529 C ASN A 35 -7.113 21.910 -0.600 1.00 0.00 C ATOM 530 O ASN A 35 -6.704 22.918 -0.025 1.00 0.00 O ATOM 531 CB ASN A 35 -8.882 23.205 -1.806 1.00 0.00 C ATOM 532 CG ASN A 35 -8.159 24.538 -1.788 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.312 24.809 -2.639 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.491 25.377 -0.813 1.00 0.00 N ATOM 0 H ASN A 35 -9.273 20.499 -1.397 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.226 22.183 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.565 23.177 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.489 23.112 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.038 26.289 -0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.199 25.110 -0.129 1.00 0.00 H new ATOM 541 N ILE A 36 -6.890 20.679 -0.152 1.00 0.00 N ATOM 542 CA ILE A 36 -6.134 20.437 1.070 1.00 0.00 C ATOM 543 C ILE A 36 -5.074 19.362 0.857 1.00 0.00 C ATOM 544 O ILE A 36 -5.208 18.506 -0.018 1.00 0.00 O ATOM 545 CB ILE A 36 -7.055 20.011 2.228 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.197 21.016 2.397 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.260 19.883 3.519 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.387 20.734 1.507 1.00 0.00 C ATOM 0 H ILE A 36 -7.222 19.834 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.648 21.377 1.331 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.484 19.038 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.523 21.012 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.823 22.017 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.926 19.581 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.479 19.133 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.805 20.843 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.157 21.486 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.076 20.767 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.786 19.746 1.736 1.00 0.00 H new ATOM 560 N THR A 37 -4.018 19.411 1.664 1.00 0.00 N ATOM 561 CA THR A 37 -2.935 18.441 1.565 1.00 0.00 C ATOM 562 C THR A 37 -2.748 17.689 2.878 1.00 0.00 C ATOM 563 O THR A 37 -2.194 18.225 3.837 1.00 0.00 O ATOM 564 CB THR A 37 -1.606 19.120 1.182 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.808 20.000 0.071 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.551 18.083 0.829 1.00 0.00 C ATOM 0 H THR A 37 -3.890 20.113 2.393 1.00 0.00 H new ATOM 0 HA THR A 37 -3.213 17.736 0.782 1.00 0.00 H new ATOM 0 HB THR A 37 -1.256 19.694 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.959 20.429 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.378 18.586 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.378 17.433 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.896 17.486 -0.015 1.00 0.00 H new ATOM 574 N GLN A 38 -3.214 16.444 2.913 1.00 0.00 N ATOM 575 CA GLN A 38 -3.097 15.619 4.109 1.00 0.00 C ATOM 576 C GLN A 38 -2.269 14.370 3.830 1.00 0.00 C ATOM 577 O GLN A 38 -1.893 14.105 2.688 1.00 0.00 O ATOM 578 CB GLN A 38 -4.484 15.223 4.618 1.00 0.00 C ATOM 579 CG GLN A 38 -5.279 16.387 5.189 1.00 0.00 C ATOM 580 CD GLN A 38 -4.604 17.021 6.389 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.532 17.615 6.271 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.230 16.898 7.554 1.00 0.00 N ATOM 0 H GLN A 38 -3.676 15.986 2.127 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.590 16.205 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.048 14.776 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.375 14.457 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.419 17.141 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.271 16.038 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.117 16.397 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.824 17.304 8.397 1.00 0.00 H new ATOM 591 N CYS A 39 -1.987 13.606 4.880 1.00 0.00 N ATOM 592 CA CYS A 39 -1.202 12.384 4.748 1.00 0.00 C ATOM 593 C CYS A 39 -1.956 11.188 5.320 1.00 0.00 C ATOM 594 O CYS A 39 -2.826 11.342 6.178 1.00 0.00 O ATOM 595 CB CYS A 39 0.145 12.540 5.456 1.00 0.00 C ATOM 596 SG CYS A 39 0.016 12.766 7.245 1.00 0.00 S ATOM 0 H CYS A 39 -2.290 13.811 5.832 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.028 12.206 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.753 11.658 5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.671 13.394 5.030 1.00 0.00 H new ATOM 0 HG CYS A 39 1.206 12.886 7.754 1.00 0.00 H new ATOM 602 N PHE A 40 -1.618 9.997 4.839 1.00 0.00 N ATOM 603 CA PHE A 40 -2.265 8.774 5.301 1.00 0.00 C ATOM 604 C PHE A 40 -1.769 8.388 6.692 1.00 0.00 C ATOM 605 O PHE A 40 -0.870 9.025 7.240 1.00 0.00 O ATOM 606 CB PHE A 40 -2.003 7.631 4.319 1.00 0.00 C ATOM 607 CG PHE A 40 -2.616 7.851 2.965 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.924 7.470 2.712 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.884 8.439 1.946 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.490 7.671 1.467 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.445 8.643 0.699 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.750 8.260 0.460 1.00 0.00 C ATOM 0 H PHE A 40 -0.900 9.852 4.129 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.338 8.959 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.927 7.500 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.394 6.705 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.508 7.011 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.863 8.741 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.510 7.368 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.863 9.101 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.191 8.421 -0.513 1.00 0.00 H new ATOM 622 N ASP A 41 -2.363 7.342 7.256 1.00 0.00 N ATOM 623 CA ASP A 41 -1.983 6.870 8.582 1.00 0.00 C ATOM 624 C ASP A 41 -0.734 5.997 8.511 1.00 0.00 C ATOM 625 O ASP A 41 -0.201 5.744 7.430 1.00 0.00 O ATOM 626 CB ASP A 41 -3.133 6.087 9.217 1.00 0.00 C ATOM 627 CG ASP A 41 -4.409 6.900 9.304 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.320 8.117 9.571 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.496 6.320 9.106 1.00 0.00 O ATOM 0 H ASP A 41 -3.110 6.805 6.815 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.761 7.740 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.320 5.185 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.841 5.766 10.217 1.00 0.00 H new ATOM 634 N LYS A 42 -0.271 5.540 9.669 1.00 0.00 N ATOM 635 CA LYS A 42 0.915 4.695 9.740 1.00 0.00 C ATOM 636 C LYS A 42 0.639 3.319 9.141 1.00 0.00 C ATOM 637 O LYS A 42 1.540 2.672 8.608 1.00 0.00 O ATOM 638 CB LYS A 42 1.376 4.548 11.191 1.00 0.00 C ATOM 639 CG LYS A 42 0.381 3.817 12.075 1.00 0.00 C ATOM 640 CD LYS A 42 1.066 3.158 13.261 1.00 0.00 C ATOM 641 CE LYS A 42 1.605 1.783 12.899 1.00 0.00 C ATOM 642 NZ LYS A 42 2.941 1.865 12.247 1.00 0.00 N ATOM 0 H LYS A 42 -0.700 5.741 10.573 1.00 0.00 H new ATOM 0 HA LYS A 42 1.706 5.172 9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.326 4.014 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.559 5.539 11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.373 4.518 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.140 3.060 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.883 3.790 13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.360 3.068 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.677 1.173 13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.905 1.283 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.524 1.058 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.825 1.843 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.409 2.751 12.524 1.00 0.00 H new ATOM 656 N MET A 43 -0.611 2.879 9.233 1.00 0.00 N ATOM 657 CA MET A 43 -1.005 1.581 8.697 1.00 0.00 C ATOM 658 C MET A 43 -1.183 1.648 7.184 1.00 0.00 C ATOM 659 O MET A 43 -0.641 0.823 6.447 1.00 0.00 O ATOM 660 CB MET A 43 -2.303 1.107 9.355 1.00 0.00 C ATOM 661 CG MET A 43 -2.130 0.681 10.804 1.00 0.00 C ATOM 662 SD MET A 43 -1.729 -1.069 10.970 1.00 0.00 S ATOM 663 CE MET A 43 -0.970 -1.090 12.593 1.00 0.00 C ATOM 0 H MET A 43 -1.368 3.401 9.673 1.00 0.00 H new ATOM 0 HA MET A 43 -0.211 0.868 8.920 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.039 1.909 9.306 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.705 0.270 8.784 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.340 1.276 11.262 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.047 0.893 11.353 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.116 -2.069 13.050 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.097 -0.889 12.498 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.429 -0.325 13.219 1.00 0.00 H new ATOM 673 N THR A 44 -1.946 2.635 6.725 1.00 0.00 N ATOM 674 CA THR A 44 -2.197 2.809 5.300 1.00 0.00 C ATOM 675 C THR A 44 -0.948 3.304 4.579 1.00 0.00 C ATOM 676 O THR A 44 -0.664 2.891 3.456 1.00 0.00 O ATOM 677 CB THR A 44 -3.348 3.801 5.049 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.565 3.288 5.602 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.529 4.053 3.560 1.00 0.00 C ATOM 0 H THR A 44 -2.401 3.327 7.320 1.00 0.00 H new ATOM 0 HA THR A 44 -2.478 1.832 4.907 1.00 0.00 H new ATOM 0 HB THR A 44 -3.098 4.745 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.292 3.925 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.347 4.757 3.407 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.610 4.470 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.759 3.114 3.057 1.00 0.00 H new ATOM 687 N ASN A 45 -0.206 4.192 5.233 1.00 0.00 N ATOM 688 CA ASN A 45 1.014 4.743 4.653 1.00 0.00 C ATOM 689 C ASN A 45 1.812 3.660 3.934 1.00 0.00 C ATOM 690 O ASN A 45 2.323 3.878 2.836 1.00 0.00 O ATOM 691 CB ASN A 45 1.874 5.389 5.741 1.00 0.00 C ATOM 692 CG ASN A 45 3.348 5.394 5.385 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.758 6.008 4.400 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.152 4.708 6.189 1.00 0.00 N ATOM 0 H ASN A 45 -0.428 4.545 6.164 1.00 0.00 H new ATOM 0 HA ASN A 45 0.730 5.503 3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.539 6.413 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.731 4.853 6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.154 4.675 6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.768 4.214 6.994 1.00 0.00 H new ATOM 701 N MET A 46 1.914 2.493 4.561 1.00 0.00 N ATOM 702 CA MET A 46 2.649 1.375 3.980 1.00 0.00 C ATOM 703 C MET A 46 1.827 0.691 2.892 1.00 0.00 C ATOM 704 O MET A 46 2.361 0.281 1.862 1.00 0.00 O ATOM 705 CB MET A 46 3.023 0.364 5.065 1.00 0.00 C ATOM 706 CG MET A 46 1.980 -0.724 5.267 1.00 0.00 C ATOM 707 SD MET A 46 2.393 -1.839 6.623 1.00 0.00 S ATOM 708 CE MET A 46 1.792 -0.902 8.026 1.00 0.00 C ATOM 0 H MET A 46 1.497 2.297 5.471 1.00 0.00 H new ATOM 0 HA MET A 46 3.561 1.767 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.975 -0.100 4.805 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.172 0.892 6.007 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.012 -0.262 5.463 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.878 -1.299 4.347 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.383 -1.149 8.908 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.881 0.164 7.816 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.746 -1.150 8.208 1.00 0.00 H new ATOM 718 N LYS A 47 0.525 0.572 3.128 1.00 0.00 N ATOM 719 CA LYS A 47 -0.372 -0.062 2.168 1.00 0.00 C ATOM 720 C LYS A 47 -0.144 0.490 0.764 1.00 0.00 C ATOM 721 O LYS A 47 -0.493 -0.149 -0.229 1.00 0.00 O ATOM 722 CB LYS A 47 -1.829 0.154 2.582 1.00 0.00 C ATOM 723 CG LYS A 47 -2.237 -0.642 3.810 1.00 0.00 C ATOM 724 CD LYS A 47 -3.745 -0.816 3.886 1.00 0.00 C ATOM 725 CE LYS A 47 -4.180 -1.300 5.261 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.103 -0.217 6.281 1.00 0.00 N ATOM 0 H LYS A 47 0.067 0.906 3.976 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.158 -1.131 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.989 1.214 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.479 -0.119 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.758 -1.621 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.883 -0.135 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.234 0.132 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.069 -1.529 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.202 -1.676 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.549 -2.134 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.743 -0.438 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.128 -0.143 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.384 0.687 5.850 1.00 0.00 H new ATOM 740 N LEU A 48 0.445 1.678 0.689 1.00 0.00 N ATOM 741 CA LEU A 48 0.721 2.316 -0.594 1.00 0.00 C ATOM 742 C LEU A 48 2.121 1.963 -1.086 1.00 0.00 C ATOM 743 O LEU A 48 2.303 1.568 -2.237 1.00 0.00 O ATOM 744 CB LEU A 48 0.578 3.834 -0.473 1.00 0.00 C ATOM 745 CG LEU A 48 -0.826 4.352 -0.158 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.795 5.849 0.110 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.781 4.032 -1.299 1.00 0.00 C ATOM 0 H LEU A 48 0.741 2.219 1.501 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.004 1.947 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.256 4.182 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.909 4.286 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.185 3.850 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.803 6.200 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.144 6.053 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.416 6.368 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.775 4.408 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.426 4.506 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.826 2.953 -1.444 1.00 0.00 H new ATOM 759 N GLU A 49 3.107 2.108 -0.206 1.00 0.00 N ATOM 760 CA GLU A 49 4.490 1.803 -0.552 1.00 0.00 C ATOM 761 C GLU A 49 4.622 0.368 -1.054 1.00 0.00 C ATOM 762 O GLU A 49 5.370 0.094 -1.993 1.00 0.00 O ATOM 763 CB GLU A 49 5.401 2.017 0.659 1.00 0.00 C ATOM 764 CG GLU A 49 5.454 0.825 1.599 1.00 0.00 C ATOM 765 CD GLU A 49 6.550 0.950 2.639 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.734 1.028 2.247 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.226 0.971 3.845 1.00 0.00 O ATOM 0 H GLU A 49 2.974 2.435 0.751 1.00 0.00 H new ATOM 0 HA GLU A 49 4.795 2.479 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.409 2.239 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.056 2.890 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.492 0.720 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.611 -0.084 1.018 1.00 0.00 H new ATOM 774 N VAL A 50 3.891 -0.544 -0.421 1.00 0.00 N ATOM 775 CA VAL A 50 3.925 -1.950 -0.803 1.00 0.00 C ATOM 776 C VAL A 50 3.563 -2.130 -2.273 1.00 0.00 C ATOM 777 O VAL A 50 4.192 -2.911 -2.986 1.00 0.00 O ATOM 778 CB VAL A 50 2.962 -2.789 0.058 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.384 -2.756 1.519 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.533 -2.291 -0.104 1.00 0.00 C ATOM 0 H VAL A 50 3.268 -0.334 0.359 1.00 0.00 H new ATOM 0 HA VAL A 50 4.945 -2.298 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 50 3.004 -3.823 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.692 -3.354 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.390 -3.163 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.373 -1.727 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.865 -2.895 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.473 -1.249 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.236 -2.372 -1.150 1.00 0.00 H new ATOM 790 N ALA A 51 2.546 -1.400 -2.719 1.00 0.00 N ATOM 791 CA ALA A 51 2.102 -1.477 -4.105 1.00 0.00 C ATOM 792 C ALA A 51 3.147 -0.893 -5.050 1.00 0.00 C ATOM 793 O ALA A 51 3.299 -1.351 -6.182 1.00 0.00 O ATOM 794 CB ALA A 51 0.773 -0.755 -4.274 1.00 0.00 C ATOM 0 H ALA A 51 2.015 -0.749 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 51 1.967 -2.528 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.453 -0.820 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.023 -1.219 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.890 0.292 -3.996 1.00 0.00 H new ATOM 800 N TRP A 52 3.863 0.121 -4.578 1.00 0.00 N ATOM 801 CA TRP A 52 4.894 0.768 -5.382 1.00 0.00 C ATOM 802 C TRP A 52 6.142 -0.103 -5.470 1.00 0.00 C ATOM 803 O TRP A 52 6.779 -0.189 -6.520 1.00 0.00 O ATOM 804 CB TRP A 52 5.250 2.132 -4.789 1.00 0.00 C ATOM 805 CG TRP A 52 6.211 2.914 -5.633 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.934 4.028 -6.373 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.603 2.638 -5.826 1.00 0.00 C ATOM 808 NE1 TRP A 52 7.070 4.462 -7.013 1.00 0.00 N ATOM 809 CE2 TRP A 52 8.107 3.627 -6.693 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.472 1.654 -5.348 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.441 3.656 -7.092 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.796 1.685 -5.745 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.270 2.680 -6.609 1.00 0.00 C ATOM 0 H TRP A 52 3.749 0.513 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 52 4.500 0.909 -6.389 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.337 2.713 -4.658 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.681 1.988 -3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.965 4.499 -6.445 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.131 5.274 -7.627 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.116 0.883 -4.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.808 4.422 -7.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.477 0.929 -5.383 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.310 2.677 -6.900 1.00 0.00 H new ATOM 824 N LYS A 53 6.488 -0.748 -4.361 1.00 0.00 N ATOM 825 CA LYS A 53 7.660 -1.615 -4.313 1.00 0.00 C ATOM 826 C LYS A 53 7.421 -2.898 -5.103 1.00 0.00 C ATOM 827 O LYS A 53 8.320 -3.398 -5.778 1.00 0.00 O ATOM 828 CB LYS A 53 8.009 -1.954 -2.862 1.00 0.00 C ATOM 829 CG LYS A 53 8.318 -0.736 -2.010 1.00 0.00 C ATOM 830 CD LYS A 53 9.669 -0.136 -2.362 1.00 0.00 C ATOM 831 CE LYS A 53 10.767 -1.188 -2.344 1.00 0.00 C ATOM 832 NZ LYS A 53 11.070 -1.698 -3.710 1.00 0.00 N ATOM 0 H LYS A 53 5.973 -0.687 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 53 8.495 -1.081 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.177 -2.498 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.870 -2.622 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.539 0.013 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.307 -1.016 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.619 0.322 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.912 0.657 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.670 -0.763 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.464 -2.018 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.725 -2.675 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.599 -1.098 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.098 -1.678 -3.868 1.00 0.00 H new ATOM 846 N ALA A 54 6.203 -3.423 -5.015 1.00 0.00 N ATOM 847 CA ALA A 54 5.845 -4.645 -5.725 1.00 0.00 C ATOM 848 C ALA A 54 5.524 -4.357 -7.187 1.00 0.00 C ATOM 849 O ALA A 54 4.964 -5.199 -7.889 1.00 0.00 O ATOM 850 CB ALA A 54 4.664 -5.322 -5.047 1.00 0.00 C ATOM 0 H ALA A 54 5.448 -3.021 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 54 6.702 -5.318 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.407 -6.233 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.929 -5.572 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.808 -4.647 -5.047 1.00 0.00 H new ATOM 856 N LYS A 55 5.882 -3.160 -7.642 1.00 0.00 N ATOM 857 CA LYS A 55 5.633 -2.760 -9.022 1.00 0.00 C ATOM 858 C LYS A 55 4.180 -3.017 -9.409 1.00 0.00 C ATOM 859 O LYS A 55 3.889 -3.426 -10.533 1.00 0.00 O ATOM 860 CB LYS A 55 6.566 -3.516 -9.970 1.00 0.00 C ATOM 861 CG LYS A 55 7.944 -2.890 -10.095 1.00 0.00 C ATOM 862 CD LYS A 55 8.552 -3.146 -11.463 1.00 0.00 C ATOM 863 CE LYS A 55 7.876 -2.308 -12.539 1.00 0.00 C ATOM 864 NZ LYS A 55 8.397 -0.913 -12.564 1.00 0.00 N ATOM 0 H LYS A 55 6.346 -2.450 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 55 5.829 -1.691 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.673 -4.542 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.107 -3.563 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.873 -1.816 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.599 -3.294 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.617 -2.917 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.459 -4.203 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.033 -2.772 -13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.800 -2.291 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.912 -0.375 -13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.225 -0.461 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.419 -0.927 -12.757 1.00 0.00 H new ATOM 878 N LYS A 56 3.270 -2.774 -8.471 1.00 0.00 N ATOM 879 CA LYS A 56 1.847 -2.976 -8.714 1.00 0.00 C ATOM 880 C LYS A 56 1.289 -1.882 -9.618 1.00 0.00 C ATOM 881 O LYS A 56 1.947 -0.872 -9.868 1.00 0.00 O ATOM 882 CB LYS A 56 1.081 -2.999 -7.390 1.00 0.00 C ATOM 883 CG LYS A 56 1.344 -4.241 -6.556 1.00 0.00 C ATOM 884 CD LYS A 56 0.379 -5.362 -6.905 1.00 0.00 C ATOM 885 CE LYS A 56 0.734 -6.650 -6.178 1.00 0.00 C ATOM 886 NZ LYS A 56 1.824 -7.394 -6.867 1.00 0.00 N ATOM 0 H LYS A 56 3.494 -2.437 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 56 1.722 -3.936 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.351 -2.117 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.013 -2.930 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.368 -4.578 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.251 -3.996 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.636 -5.064 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.394 -5.534 -7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.041 -6.418 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.150 -7.283 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.036 -8.265 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.522 -7.638 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.676 -6.800 -6.911 1.00 0.00 H new ATOM 900 N LYS A 57 0.070 -2.088 -10.105 1.00 0.00 N ATOM 901 CA LYS A 57 -0.580 -1.118 -10.979 1.00 0.00 C ATOM 902 C LYS A 57 -1.388 -0.110 -10.168 1.00 0.00 C ATOM 903 O LYS A 57 -1.425 1.077 -10.494 1.00 0.00 O ATOM 904 CB LYS A 57 -1.492 -1.832 -11.979 1.00 0.00 C ATOM 905 CG LYS A 57 -1.991 -0.933 -13.097 1.00 0.00 C ATOM 906 CD LYS A 57 -0.933 -0.739 -14.171 1.00 0.00 C ATOM 907 CE LYS A 57 -1.396 0.240 -15.239 1.00 0.00 C ATOM 908 NZ LYS A 57 -0.637 0.074 -16.509 1.00 0.00 N ATOM 0 H LYS A 57 -0.488 -2.919 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 57 0.196 -0.581 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.952 -2.673 -12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.349 -2.245 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.887 -1.367 -13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.276 0.036 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.013 -0.373 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.701 -1.699 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.459 0.094 -15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.275 1.260 -14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.982 0.759 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.375 0.238 -16.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.773 -0.891 -16.871 1.00 0.00 H new ATOM 922 N ASP A 58 -2.032 -0.590 -9.110 1.00 0.00 N ATOM 923 CA ASP A 58 -2.837 0.270 -8.251 1.00 0.00 C ATOM 924 C ASP A 58 -3.226 -0.455 -6.966 1.00 0.00 C ATOM 925 O ASP A 58 -3.420 -1.672 -6.961 1.00 0.00 O ATOM 926 CB ASP A 58 -4.094 0.733 -8.990 1.00 0.00 C ATOM 927 CG ASP A 58 -4.735 -0.380 -9.795 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.505 -1.561 -9.462 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.465 -0.070 -10.760 1.00 0.00 O ATOM 0 H ASP A 58 -2.012 -1.570 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.238 1.142 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.815 1.118 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.838 1.558 -9.655 1.00 0.00 H new ATOM 934 N THR A 59 -3.337 0.299 -5.877 1.00 0.00 N ATOM 935 CA THR A 59 -3.700 -0.272 -4.586 1.00 0.00 C ATOM 936 C THR A 59 -4.919 0.429 -3.998 1.00 0.00 C ATOM 937 O THR A 59 -4.980 1.658 -3.954 1.00 0.00 O ATOM 938 CB THR A 59 -2.535 -0.180 -3.583 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.946 -0.682 -2.307 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.059 1.258 -3.438 1.00 0.00 C ATOM 0 H THR A 59 -3.181 1.307 -5.863 1.00 0.00 H new ATOM 0 HA THR A 59 -3.937 -1.322 -4.760 1.00 0.00 H new ATOM 0 HB THR A 59 -1.710 -0.783 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.224 -0.554 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.236 1.299 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.719 1.628 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.880 1.879 -3.080 1.00 0.00 H new ATOM 948 N VAL A 60 -5.889 -0.360 -3.545 1.00 0.00 N ATOM 949 CA VAL A 60 -7.106 0.186 -2.957 1.00 0.00 C ATOM 950 C VAL A 60 -6.922 0.463 -1.469 1.00 0.00 C ATOM 951 O VAL A 60 -6.295 -0.319 -0.754 1.00 0.00 O ATOM 952 CB VAL A 60 -8.298 -0.771 -3.146 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.449 -0.378 -2.231 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.744 -0.785 -4.601 1.00 0.00 C ATOM 0 H VAL A 60 -5.855 -1.379 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.315 1.122 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.979 -1.778 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.282 -1.065 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.120 -0.424 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.770 0.637 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.587 -1.466 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.046 0.219 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.919 -1.118 -5.231 1.00 0.00 H new ATOM 964 N VAL A 61 -7.472 1.581 -1.008 1.00 0.00 N ATOM 965 CA VAL A 61 -7.370 1.962 0.396 1.00 0.00 C ATOM 966 C VAL A 61 -8.621 2.701 0.857 1.00 0.00 C ATOM 967 O VAL A 61 -9.274 3.386 0.070 1.00 0.00 O ATOM 968 CB VAL A 61 -6.139 2.851 0.648 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.859 2.100 0.315 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.237 4.137 -0.159 1.00 0.00 C ATOM 0 H VAL A 61 -7.993 2.240 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.265 1.040 0.968 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.113 3.113 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.000 2.745 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.786 1.210 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.873 1.805 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.359 4.754 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.289 3.897 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.134 4.683 0.134 1.00 0.00 H new ATOM 980 N GLN A 62 -8.948 2.558 2.137 1.00 0.00 N ATOM 981 CA GLN A 62 -10.121 3.213 2.703 1.00 0.00 C ATOM 982 C GLN A 62 -9.851 4.693 2.953 1.00 0.00 C ATOM 983 O GLN A 62 -9.171 5.056 3.913 1.00 0.00 O ATOM 984 CB GLN A 62 -10.533 2.530 4.009 1.00 0.00 C ATOM 985 CG GLN A 62 -11.128 1.145 3.810 1.00 0.00 C ATOM 986 CD GLN A 62 -10.070 0.074 3.636 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.951 0.204 4.134 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.418 -0.993 2.926 1.00 0.00 N ATOM 0 H GLN A 62 -8.417 1.995 2.801 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.936 3.127 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.662 2.452 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.260 3.158 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.754 0.896 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.777 1.155 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.356 -1.059 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.747 -1.746 2.775 1.00 0.00 H new ATOM 997 N ILE A 63 -10.388 5.542 2.084 1.00 0.00 N ATOM 998 CA ILE A 63 -10.205 6.983 2.212 1.00 0.00 C ATOM 999 C ILE A 63 -11.538 7.688 2.435 1.00 0.00 C ATOM 1000 O ILE A 63 -12.472 7.540 1.646 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.526 7.577 0.963 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.072 7.108 0.876 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.597 9.096 0.994 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.337 7.643 -0.333 1.00 0.00 C ATOM 0 H ILE A 63 -10.953 5.258 1.284 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.562 7.144 3.077 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.056 7.226 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.544 7.417 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.051 6.018 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.113 9.501 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.640 9.411 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.089 9.466 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.313 7.270 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.841 7.312 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.327 8.732 -0.300 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.619 8.459 3.516 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.838 9.191 3.843 1.00 0.00 C ATOM 1018 C HIS A 64 -13.993 8.231 4.110 1.00 0.00 C ATOM 1019 O HIS A 64 -15.141 8.515 3.770 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.206 10.145 2.706 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.469 11.448 2.756 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -13.074 12.664 2.520 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.170 11.721 3.019 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -12.179 13.629 2.634 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -11.015 13.083 2.936 1.00 0.00 N ATOM 0 H HIS A 64 -10.856 8.593 4.179 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.653 9.770 4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.001 9.657 1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.278 10.341 2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.399 11.002 3.251 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.367 14.684 2.503 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.143 13.590 3.084 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.681 7.092 4.721 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.693 6.089 5.032 1.00 0.00 C ATOM 1036 C ASN A 65 -15.272 5.487 3.756 1.00 0.00 C ATOM 1037 O ASN A 65 -16.412 5.022 3.741 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.812 6.708 5.872 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.311 7.242 7.200 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.669 6.732 8.262 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -14.478 8.275 7.146 1.00 0.00 N ATOM 0 H ASN A 65 -12.736 6.841 5.010 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.217 5.293 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.278 7.518 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.584 5.960 6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.108 8.677 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.208 8.666 6.243 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.480 5.498 2.690 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.915 4.953 1.409 1.00 0.00 C ATOM 1050 C GLN A 66 -13.740 4.348 0.648 1.00 0.00 C ATOM 1051 O GLN A 66 -12.662 4.938 0.580 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.577 6.043 0.565 1.00 0.00 C ATOM 1053 CG GLN A 66 -15.021 7.434 0.822 1.00 0.00 C ATOM 1054 CD GLN A 66 -16.002 8.531 0.461 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.134 8.260 0.059 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.573 9.780 0.602 1.00 0.00 N ATOM 0 H GLN A 66 -13.534 5.878 2.687 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.642 4.165 1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.452 5.800 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.648 6.046 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.752 7.525 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.105 7.567 0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.627 9.959 0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.190 10.560 0.374 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.955 3.167 0.078 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.914 2.482 -0.679 1.00 0.00 C ATOM 1067 C ASP A 67 -12.494 3.305 -1.893 1.00 0.00 C ATOM 1068 O ASP A 67 -13.335 3.767 -2.664 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.403 1.103 -1.127 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.644 0.167 0.041 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -12.692 -0.077 0.811 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -14.785 -0.321 0.185 1.00 0.00 O ATOM 0 H ASP A 67 -14.841 2.664 0.126 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.048 2.359 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.326 1.215 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.667 0.660 -1.798 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.188 3.486 -2.055 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.655 4.256 -3.173 1.00 0.00 C ATOM 1079 C PHE A 68 -9.563 3.476 -3.899 1.00 0.00 C ATOM 1080 O PHE A 68 -8.932 2.588 -3.325 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.102 5.595 -2.681 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.105 6.712 -2.727 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.352 6.565 -2.143 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.800 7.909 -3.356 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.277 7.591 -2.185 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.720 8.938 -3.401 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.960 8.780 -2.813 1.00 0.00 C ATOM 0 H PHE A 68 -10.479 3.110 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.469 4.444 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.747 5.478 -1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.239 5.867 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.605 5.638 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.832 8.038 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.247 7.463 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.470 9.865 -3.895 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.680 9.584 -2.844 1.00 0.00 H new ATOM 1097 N THR A 69 -9.344 3.815 -5.165 1.00 0.00 N ATOM 1098 CA THR A 69 -8.329 3.147 -5.971 1.00 0.00 C ATOM 1099 C THR A 69 -7.128 4.056 -6.207 1.00 0.00 C ATOM 1100 O THR A 69 -7.219 5.046 -6.932 1.00 0.00 O ATOM 1101 CB THR A 69 -8.897 2.702 -7.332 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.055 1.883 -7.136 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.853 1.931 -8.127 1.00 0.00 C ATOM 0 H THR A 69 -9.856 4.549 -5.655 1.00 0.00 H new ATOM 0 HA THR A 69 -8.010 2.267 -5.413 1.00 0.00 H new ATOM 0 HB THR A 69 -9.175 3.594 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.411 1.606 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.276 1.627 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.985 2.567 -8.300 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.549 1.046 -7.567 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.002 3.712 -5.589 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.782 4.497 -5.733 1.00 0.00 C ATOM 1113 C VAL A 70 -3.906 3.949 -6.855 1.00 0.00 C ATOM 1114 O VAL A 70 -3.352 2.855 -6.746 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.969 4.516 -4.425 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.645 5.235 -4.629 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.772 5.167 -3.309 1.00 0.00 C ATOM 0 H VAL A 70 -5.910 2.896 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.087 5.515 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.755 3.487 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.085 5.238 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.067 4.721 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.833 6.262 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.183 5.172 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.018 6.192 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.691 4.604 -3.146 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.784 4.717 -7.932 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.974 4.310 -9.074 1.00 0.00 C ATOM 1129 C ASP A 71 -1.544 4.823 -8.936 1.00 0.00 C ATOM 1130 O ASP A 71 -1.314 6.028 -8.819 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.592 4.826 -10.374 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.263 3.944 -11.562 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.825 2.832 -11.650 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.443 4.365 -12.405 1.00 0.00 O ATOM 0 H ASP A 71 -4.236 5.625 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.949 3.221 -9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.674 4.887 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.234 5.838 -10.566 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.587 3.903 -8.950 1.00 0.00 N ATOM 1140 CA LEU A 72 0.822 4.262 -8.826 1.00 0.00 C ATOM 1141 C LEU A 72 1.364 4.804 -10.144 1.00 0.00 C ATOM 1142 O LEU A 72 2.185 5.721 -10.159 1.00 0.00 O ATOM 1143 CB LEU A 72 1.641 3.047 -8.386 1.00 0.00 C ATOM 1144 CG LEU A 72 1.178 2.354 -7.104 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.580 0.887 -7.115 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.751 3.056 -5.881 1.00 0.00 C ATOM 0 H LEU A 72 -0.760 2.902 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 72 0.907 5.043 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.632 2.316 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.676 3.361 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 72 0.091 2.412 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.242 0.410 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.122 0.391 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.665 0.808 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.411 2.549 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.840 3.030 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.413 4.092 -5.865 1.00 0.00 H new ATOM 1158 N SER A 73 0.896 4.234 -11.250 1.00 0.00 N ATOM 1159 CA SER A 73 1.335 4.659 -12.574 1.00 0.00 C ATOM 1160 C SER A 73 1.464 6.178 -12.642 1.00 0.00 C ATOM 1161 O SER A 73 2.444 6.707 -13.167 1.00 0.00 O ATOM 1162 CB SER A 73 0.353 4.172 -13.641 1.00 0.00 C ATOM 1163 OG SER A 73 0.975 4.101 -14.912 1.00 0.00 O ATOM 0 H SER A 73 0.213 3.477 -11.255 1.00 0.00 H new ATOM 0 HA SER A 73 2.314 4.219 -12.763 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.031 3.190 -13.365 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.502 4.847 -13.688 1.00 0.00 H new ATOM 0 HG SER A 73 0.327 3.786 -15.576 1.00 0.00 H new ATOM 1169 N THR A 74 0.467 6.875 -12.105 1.00 0.00 N ATOM 1170 CA THR A 74 0.467 8.332 -12.104 1.00 0.00 C ATOM 1171 C THR A 74 0.460 8.882 -10.682 1.00 0.00 C ATOM 1172 O THR A 74 0.741 10.058 -10.460 1.00 0.00 O ATOM 1173 CB THR A 74 -0.748 8.894 -12.866 1.00 0.00 C ATOM 1174 OG1 THR A 74 -0.681 10.324 -12.910 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.048 8.463 -12.205 1.00 0.00 C ATOM 0 H THR A 74 -0.351 6.453 -11.665 1.00 0.00 H new ATOM 0 HA THR A 74 1.381 8.648 -12.608 1.00 0.00 H new ATOM 0 HB THR A 74 -0.726 8.498 -13.881 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.213 10.654 -12.115 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.892 8.872 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.110 7.375 -12.200 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.075 8.833 -11.180 1.00 0.00 H new ATOM 1183 N ASN A 75 0.136 8.021 -9.722 1.00 0.00 N ATOM 1184 CA ASN A 75 0.092 8.421 -8.321 1.00 0.00 C ATOM 1185 C ASN A 75 -1.134 9.285 -8.039 1.00 0.00 C ATOM 1186 O ASN A 75 -1.020 10.393 -7.514 1.00 0.00 O ATOM 1187 CB ASN A 75 1.364 9.185 -7.946 1.00 0.00 C ATOM 1188 CG ASN A 75 2.600 8.609 -8.611 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.830 7.400 -8.579 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.403 9.476 -9.217 1.00 0.00 N ATOM 0 H ASN A 75 -0.100 7.043 -9.889 1.00 0.00 H new ATOM 0 HA ASN A 75 0.026 7.518 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.254 10.231 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.493 9.163 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.250 9.148 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.173 10.470 -9.218 1.00 0.00 H new ATOM 1197 N THR A 76 -2.307 8.770 -8.392 1.00 0.00 N ATOM 1198 CA THR A 76 -3.555 9.493 -8.179 1.00 0.00 C ATOM 1199 C THR A 76 -4.661 8.554 -7.712 1.00 0.00 C ATOM 1200 O THR A 76 -4.827 7.460 -8.248 1.00 0.00 O ATOM 1201 CB THR A 76 -4.014 10.211 -9.462 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.044 11.191 -9.849 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.364 10.881 -9.253 1.00 0.00 C ATOM 0 H THR A 76 -2.419 7.854 -8.827 1.00 0.00 H new ATOM 0 HA THR A 76 -3.362 10.236 -7.405 1.00 0.00 H new ATOM 0 HB THR A 76 -4.113 9.467 -10.253 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.343 11.642 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.668 11.382 -10.172 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.106 10.128 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.286 11.614 -8.450 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.416 8.990 -6.709 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.509 8.190 -6.171 1.00 0.00 C ATOM 1213 C ALA A 77 -7.836 8.566 -6.820 1.00 0.00 C ATOM 1214 O ALA A 77 -8.060 9.724 -7.175 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.592 8.356 -4.661 1.00 0.00 C ATOM 0 H ALA A 77 -5.290 9.893 -6.252 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.306 7.144 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.413 7.753 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.656 8.030 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.767 9.404 -4.419 1.00 0.00 H new ATOM 1221 N THR A 78 -8.715 7.581 -6.975 1.00 0.00 N ATOM 1222 CA THR A 78 -10.020 7.808 -7.583 1.00 0.00 C ATOM 1223 C THR A 78 -11.074 6.882 -6.987 1.00 0.00 C ATOM 1224 O THR A 78 -10.772 5.757 -6.591 1.00 0.00 O ATOM 1225 CB THR A 78 -9.972 7.599 -9.109 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.820 8.249 -9.657 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.230 8.144 -9.769 1.00 0.00 C ATOM 0 H THR A 78 -8.546 6.617 -6.687 1.00 0.00 H new ATOM 0 HA THR A 78 -10.291 8.843 -7.373 1.00 0.00 H new ATOM 0 HB THR A 78 -9.912 6.529 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.796 8.110 -10.627 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.174 7.985 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.103 7.627 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.316 9.211 -9.563 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.311 7.362 -6.928 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.411 6.575 -6.383 1.00 0.00 C ATOM 1237 C ALA A 79 -14.671 6.733 -7.227 1.00 0.00 C ATOM 1238 O ALA A 79 -14.876 7.747 -7.895 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.685 6.979 -4.942 1.00 0.00 C ATOM 0 H ALA A 79 -12.577 8.292 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.120 5.525 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.508 6.384 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.793 6.808 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.951 8.035 -4.905 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.535 5.708 -7.200 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.790 5.710 -7.958 1.00 0.00 C ATOM 1247 C PRO A 80 -17.802 6.706 -7.401 1.00 0.00 C ATOM 1248 O PRO A 80 -18.930 6.793 -7.885 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.304 4.277 -7.796 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.697 3.799 -6.522 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.354 4.468 -6.426 1.00 0.00 C ATOM 0 HA PRO A 80 -16.640 6.009 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.393 4.250 -7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.004 3.651 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.324 4.059 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.593 2.714 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.082 4.676 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.564 3.845 -6.844 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.390 7.453 -6.382 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.263 8.442 -5.760 1.00 0.00 C ATOM 1261 C GLN A 81 -18.162 9.785 -6.478 1.00 0.00 C ATOM 1262 O GLN A 81 -19.156 10.492 -6.635 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.904 8.613 -4.283 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.902 7.308 -3.503 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.275 6.668 -3.434 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.285 7.305 -3.731 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.318 5.400 -3.040 1.00 0.00 N ATOM 0 H GLN A 81 -16.459 7.393 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.290 8.084 -5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.919 9.073 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.613 9.301 -3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.204 6.612 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.541 7.494 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.455 4.910 -2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.214 4.916 -2.974 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.954 10.129 -6.912 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.746 11.386 -7.608 1.00 0.00 C ATOM 1278 C GLY A 82 -15.657 12.227 -6.972 1.00 0.00 C ATOM 1279 O GLY A 82 -15.745 13.455 -6.953 1.00 0.00 O ATOM 0 H GLY A 82 -16.115 9.560 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.485 11.184 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.678 11.951 -7.618 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.630 11.566 -6.448 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.521 12.262 -5.806 1.00 0.00 C ATOM 1285 C GLN A 83 -12.184 11.663 -6.230 1.00 0.00 C ATOM 1286 O GLN A 83 -12.035 10.443 -6.312 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.663 12.197 -4.285 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.718 13.142 -3.732 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.090 12.503 -3.652 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.395 11.566 -4.391 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.927 13.008 -2.753 1.00 0.00 N ATOM 0 H GLN A 83 -14.543 10.550 -6.455 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.548 13.305 -6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.913 11.177 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.702 12.432 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.418 13.474 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.771 14.030 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.632 13.785 -2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.865 12.619 -2.654 1.00 0.00 H new ATOM 1300 N THR A 84 -11.212 12.529 -6.499 1.00 0.00 N ATOM 1301 CA THR A 84 -9.887 12.087 -6.916 1.00 0.00 C ATOM 1302 C THR A 84 -8.795 12.911 -6.245 1.00 0.00 C ATOM 1303 O THR A 84 -8.922 14.127 -6.100 1.00 0.00 O ATOM 1304 CB THR A 84 -9.719 12.180 -8.444 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.684 13.553 -8.850 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.854 11.463 -9.159 1.00 0.00 C ATOM 0 H THR A 84 -11.318 13.542 -6.435 1.00 0.00 H new ATOM 0 HA THR A 84 -9.791 11.045 -6.610 1.00 0.00 H new ATOM 0 HB THR A 84 -8.780 11.697 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.575 13.604 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.713 11.543 -10.237 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.859 10.412 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.804 11.920 -8.883 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.722 12.242 -5.836 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.607 12.914 -5.179 1.00 0.00 C ATOM 1316 C PHE A 85 -5.278 12.501 -5.805 1.00 0.00 C ATOM 1317 O PHE A 85 -5.230 11.624 -6.668 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.601 12.593 -3.683 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.964 12.295 -3.128 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.858 13.320 -2.864 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.351 10.990 -2.869 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.114 13.050 -2.353 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.606 10.713 -2.359 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.488 11.744 -2.100 1.00 0.00 C ATOM 0 H PHE A 85 -7.601 11.235 -5.948 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.733 13.988 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.950 11.737 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.173 13.436 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.570 14.342 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.665 10.180 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.802 13.858 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.896 9.691 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.468 11.530 -1.700 1.00 0.00 H new ATOM 1334 N THR A 86 -4.199 13.140 -5.364 1.00 0.00 N ATOM 1335 CA THR A 86 -2.869 12.842 -5.881 1.00 0.00 C ATOM 1336 C THR A 86 -1.944 12.358 -4.770 1.00 0.00 C ATOM 1337 O THR A 86 -1.757 13.040 -3.763 1.00 0.00 O ATOM 1338 CB THR A 86 -2.240 14.075 -6.558 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.144 14.615 -7.528 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.925 13.711 -7.229 1.00 0.00 C ATOM 0 H THR A 86 -4.220 13.868 -4.650 1.00 0.00 H new ATOM 0 HA THR A 86 -2.987 12.051 -6.622 1.00 0.00 H new ATOM 0 HB THR A 86 -2.043 14.823 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.738 15.399 -7.953 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.499 14.597 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.230 13.328 -6.482 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.102 12.947 -7.986 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.365 11.177 -4.962 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.456 10.603 -3.977 1.00 0.00 C ATOM 1350 C VAL A 87 0.998 10.881 -4.342 1.00 0.00 C ATOM 1351 O VAL A 87 1.363 10.882 -5.517 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.659 9.081 -3.846 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.800 8.775 -2.888 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.916 8.459 -5.210 1.00 0.00 C ATOM 0 H VAL A 87 -1.509 10.599 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.684 11.077 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 87 0.253 8.644 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.929 7.696 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.570 9.187 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.720 9.223 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.057 7.384 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.812 8.899 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.063 8.648 -5.862 1.00 0.00 H new ATOM 1364 N GLN A 88 1.823 11.116 -3.327 1.00 0.00 N ATOM 1365 CA GLN A 88 3.237 11.395 -3.542 1.00 0.00 C ATOM 1366 C GLN A 88 4.105 10.565 -2.602 1.00 0.00 C ATOM 1367 O GLN A 88 3.760 10.364 -1.438 1.00 0.00 O ATOM 1368 CB GLN A 88 3.522 12.884 -3.336 1.00 0.00 C ATOM 1369 CG GLN A 88 3.005 13.425 -2.012 1.00 0.00 C ATOM 1370 CD GLN A 88 2.828 14.930 -2.026 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.292 15.613 -2.940 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.155 15.457 -1.010 1.00 0.00 N ATOM 0 H GLN A 88 1.536 11.119 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 88 3.483 11.124 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.598 13.051 -3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.069 13.448 -4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.051 12.953 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.698 13.152 -1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.788 14.854 -0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.005 16.465 -0.966 1.00 0.00 H new ATOM 1381 N ARG A 89 5.233 10.085 -3.115 1.00 0.00 N ATOM 1382 CA ARG A 89 6.150 9.275 -2.322 1.00 0.00 C ATOM 1383 C ARG A 89 7.325 10.113 -1.825 1.00 0.00 C ATOM 1384 O ARG A 89 7.992 10.791 -2.607 1.00 0.00 O ATOM 1385 CB ARG A 89 6.665 8.094 -3.147 1.00 0.00 C ATOM 1386 CG ARG A 89 7.208 6.952 -2.303 1.00 0.00 C ATOM 1387 CD ARG A 89 7.501 5.724 -3.150 1.00 0.00 C ATOM 1388 NE ARG A 89 8.279 4.728 -2.419 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.601 4.766 -2.304 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.290 5.747 -2.871 1.00 0.00 N ATOM 1391 NH2 ARG A 89 10.238 3.823 -1.622 1.00 0.00 N ATOM 0 H ARG A 89 5.534 10.243 -4.077 1.00 0.00 H new ATOM 0 HA ARG A 89 5.605 8.895 -1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.856 7.719 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.450 8.445 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.119 7.273 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.486 6.696 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.562 5.279 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.045 6.023 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 89 7.779 3.960 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.804 6.474 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.306 5.775 -2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.712 3.067 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.254 3.854 -1.535 1.00 0.00 H new ATOM 1405 N LEU A 90 7.571 10.061 -0.521 1.00 0.00 N ATOM 1406 CA LEU A 90 8.665 10.815 0.082 1.00 0.00 C ATOM 1407 C LEU A 90 9.434 9.955 1.080 1.00 0.00 C ATOM 1408 O LEU A 90 8.840 9.297 1.935 1.00 0.00 O ATOM 1409 CB LEU A 90 8.125 12.066 0.778 1.00 0.00 C ATOM 1410 CG LEU A 90 7.079 12.867 0.002 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.722 12.184 0.076 1.00 0.00 C ATOM 1412 CD2 LEU A 90 6.992 14.289 0.536 1.00 0.00 C ATOM 0 H LEU A 90 7.028 9.505 0.139 1.00 0.00 H new ATOM 0 HA LEU A 90 9.348 11.115 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.691 11.768 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.965 12.724 1.002 1.00 0.00 H new ATOM 0 HG LEU A 90 7.385 12.911 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.990 12.768 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.793 11.185 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.409 12.109 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.243 14.844 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.710 14.266 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.961 14.777 0.431 1.00 0.00 H new