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 31 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 2.3: A 64 HIS :FLIP no HD1:sc= -1.53 F(o=-3.5!,f=-1.5) USER MOD Single : A 30 GLN : amide:sc= -1.03 K(o=-1,f=-3.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.32) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 171:sc= 0 (180deg=-0.102) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.94! C(o=-1.9!,f=-11!) USER MOD Single : A 46 MET CE :methyl -159:sc= -0.499 (180deg=-1.56) 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+ -119:sc= 0 (180deg=-0.796) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00928) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.088) USER MOD Single : A 65 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.8) USER MOD Single : A 66 GLN : amide:sc= 0.357 X(o=0.36,f=0) 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= -2.78! C(o=-2.8!,f=-5.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 81 GLN : amide:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 83 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.4!) 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= -2.36 X(o=-2.4,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.249 7.699 3.259 1.00 0.00 N ATOM 398 CA GLU A 28 6.083 8.504 3.601 1.00 0.00 C ATOM 399 C GLU A 28 5.138 8.628 2.410 1.00 0.00 C ATOM 400 O GLU A 28 5.573 8.852 1.280 1.00 0.00 O ATOM 401 CB GLU A 28 6.515 9.895 4.070 1.00 0.00 C ATOM 402 CG GLU A 28 5.472 10.603 4.919 1.00 0.00 C ATOM 403 CD GLU A 28 5.627 10.309 6.398 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.668 9.116 6.765 1.00 0.00 O ATOM 405 OE2 GLU A 28 5.708 11.272 7.189 1.00 0.00 O ATOM 0 HA GLU A 28 5.554 8.003 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.438 9.805 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.740 10.510 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.546 11.678 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.477 10.299 4.594 1.00 0.00 H new ATOM 412 N TRP A 29 3.844 8.479 2.670 1.00 0.00 N ATOM 413 CA TRP A 29 2.837 8.573 1.619 1.00 0.00 C ATOM 414 C TRP A 29 1.732 9.549 2.010 1.00 0.00 C ATOM 415 O TRP A 29 1.069 9.372 3.031 1.00 0.00 O ATOM 416 CB TRP A 29 2.239 7.195 1.333 1.00 0.00 C ATOM 417 CG TRP A 29 3.156 6.298 0.558 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.224 5.600 1.044 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.088 6.006 -0.842 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.823 4.891 0.031 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.145 5.123 -1.136 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.235 6.403 -1.876 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.370 4.633 -2.420 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.460 5.917 -3.149 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.520 5.038 -3.412 1.00 0.00 C ATOM 0 H TRP A 29 3.467 8.293 3.599 1.00 0.00 H new ATOM 0 HA TRP A 29 3.323 8.945 0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.985 6.714 2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.309 7.319 0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.550 5.605 2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.640 4.289 0.132 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.414 7.078 -1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.187 3.957 -2.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.808 6.219 -3.955 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.668 4.673 -4.418 1.00 0.00 H new ATOM 436 N GLN A 30 1.541 10.578 1.190 1.00 0.00 N ATOM 437 CA GLN A 30 0.517 11.582 1.452 1.00 0.00 C ATOM 438 C GLN A 30 -0.355 11.804 0.220 1.00 0.00 C ATOM 439 O GLN A 30 0.100 11.637 -0.912 1.00 0.00 O ATOM 440 CB GLN A 30 1.163 12.901 1.879 1.00 0.00 C ATOM 441 CG GLN A 30 2.170 12.748 3.007 1.00 0.00 C ATOM 442 CD GLN A 30 2.601 14.080 3.589 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.831 14.749 4.277 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.840 14.472 3.314 1.00 0.00 N ATOM 0 H GLN A 30 2.081 10.738 0.340 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.115 11.217 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.660 13.348 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.382 13.594 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.735 12.135 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.047 12.217 2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.445 13.885 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.187 15.360 3.678 1.00 0.00 H new ATOM 453 N TYR A 31 -1.608 12.181 0.448 1.00 0.00 N ATOM 454 CA TYR A 31 -2.544 12.423 -0.643 1.00 0.00 C ATOM 455 C TYR A 31 -2.986 13.883 -0.668 1.00 0.00 C ATOM 456 O TYR A 31 -3.231 14.487 0.377 1.00 0.00 O ATOM 457 CB TYR A 31 -3.765 11.511 -0.508 1.00 0.00 C ATOM 458 CG TYR A 31 -4.594 11.789 0.725 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.139 11.430 1.988 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.833 12.410 0.628 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.893 11.681 3.118 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.594 12.666 1.752 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.120 12.300 2.995 1.00 0.00 C ATOM 464 OH TYR A 31 -6.875 12.552 4.117 1.00 0.00 O ATOM 0 H TYR A 31 -1.999 12.326 1.379 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.035 12.200 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.393 11.625 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.432 10.473 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.179 10.946 2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.208 12.698 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.524 11.394 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.555 13.150 1.658 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.583 13.193 3.898 1.00 0.00 H new ATOM 474 N ILE A 32 -3.085 14.444 -1.868 1.00 0.00 N ATOM 475 CA ILE A 32 -3.499 15.832 -2.030 1.00 0.00 C ATOM 476 C ILE A 32 -4.995 15.931 -2.309 1.00 0.00 C ATOM 477 O ILE A 32 -5.455 15.616 -3.407 1.00 0.00 O ATOM 478 CB ILE A 32 -2.729 16.519 -3.174 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.315 16.883 -2.719 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.476 17.759 -3.645 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.294 15.803 -2.997 1.00 0.00 C ATOM 0 H ILE A 32 -2.884 13.959 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.272 16.340 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.654 15.824 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.006 17.801 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.329 17.092 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.920 18.234 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.465 17.474 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.579 18.459 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.686 16.130 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.579 14.890 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.251 15.610 -4.069 1.00 0.00 H new ATOM 493 N ASP A 33 -5.750 16.371 -1.308 1.00 0.00 N ATOM 494 CA ASP A 33 -7.194 16.515 -1.445 1.00 0.00 C ATOM 495 C ASP A 33 -7.541 17.721 -2.313 1.00 0.00 C ATOM 496 O ASP A 33 -6.684 18.554 -2.608 1.00 0.00 O ATOM 497 CB ASP A 33 -7.847 16.656 -0.069 1.00 0.00 C ATOM 498 CG ASP A 33 -9.358 16.546 -0.131 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.871 15.963 -1.110 1.00 0.00 O ATOM 500 OD2 ASP A 33 -10.027 17.043 0.798 1.00 0.00 O ATOM 0 H ASP A 33 -5.385 16.634 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.579 15.618 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.457 15.886 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.573 17.619 0.363 1.00 0.00 H new ATOM 505 N LYS A 34 -8.803 17.808 -2.720 1.00 0.00 N ATOM 506 CA LYS A 34 -9.264 18.911 -3.553 1.00 0.00 C ATOM 507 C LYS A 34 -8.446 20.172 -3.290 1.00 0.00 C ATOM 508 O LYS A 34 -7.635 20.581 -4.119 1.00 0.00 O ATOM 509 CB LYS A 34 -10.746 19.189 -3.294 1.00 0.00 C ATOM 510 CG LYS A 34 -11.643 17.990 -3.548 1.00 0.00 C ATOM 511 CD LYS A 34 -13.049 18.418 -3.935 1.00 0.00 C ATOM 512 CE LYS A 34 -13.817 17.281 -4.592 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.604 17.246 -6.065 1.00 0.00 N ATOM 0 H LYS A 34 -9.525 17.127 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.131 18.624 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.871 19.513 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.069 20.014 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.217 17.377 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.684 17.369 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.585 18.755 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.997 19.266 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.503 16.332 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.881 17.392 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.144 16.458 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.927 18.142 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.592 17.114 -6.266 1.00 0.00 H new ATOM 527 N ASN A 35 -8.664 20.780 -2.128 1.00 0.00 N ATOM 528 CA ASN A 35 -7.945 21.994 -1.755 1.00 0.00 C ATOM 529 C ASN A 35 -7.205 21.803 -0.435 1.00 0.00 C ATOM 530 O ASN A 35 -6.836 22.774 0.227 1.00 0.00 O ATOM 531 CB ASN A 35 -8.915 23.172 -1.644 1.00 0.00 C ATOM 532 CG ASN A 35 -8.201 24.509 -1.626 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.475 24.850 -2.560 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.405 25.275 -0.560 1.00 0.00 N ATOM 0 H ASN A 35 -9.331 20.453 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.213 22.208 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.611 23.146 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.507 23.067 -0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.952 26.186 -0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.015 24.952 0.191 1.00 0.00 H new ATOM 541 N ILE A 36 -6.991 20.547 -0.059 1.00 0.00 N ATOM 542 CA ILE A 36 -6.294 20.229 1.181 1.00 0.00 C ATOM 543 C ILE A 36 -5.215 19.177 0.951 1.00 0.00 C ATOM 544 O ILE A 36 -5.346 18.317 0.080 1.00 0.00 O ATOM 545 CB ILE A 36 -7.268 19.722 2.261 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.534 20.580 2.281 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.596 19.728 3.626 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.554 20.178 1.238 1.00 0.00 C ATOM 0 H ILE A 36 -7.290 19.733 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.830 21.152 1.527 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.550 18.697 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.991 20.515 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.259 21.623 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.297 19.367 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.721 19.078 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.287 20.743 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.425 20.829 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.114 20.270 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.858 19.145 1.406 1.00 0.00 H new ATOM 560 N THR A 37 -4.147 19.250 1.740 1.00 0.00 N ATOM 561 CA THR A 37 -3.044 18.304 1.623 1.00 0.00 C ATOM 562 C THR A 37 -2.847 17.527 2.920 1.00 0.00 C ATOM 563 O THR A 37 -2.210 18.013 3.854 1.00 0.00 O ATOM 564 CB THR A 37 -1.728 19.017 1.260 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.936 19.891 0.145 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.641 18.008 0.924 1.00 0.00 C ATOM 0 H THR A 37 -4.023 19.955 2.467 1.00 0.00 H new ATOM 0 HA THR A 37 -3.305 17.611 0.823 1.00 0.00 H new ATOM 0 HB THR A 37 -1.406 19.600 2.123 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.095 20.342 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.279 18.535 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.465 17.363 1.785 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.957 17.402 0.075 1.00 0.00 H new ATOM 574 N GLN A 38 -3.397 16.318 2.969 1.00 0.00 N ATOM 575 CA GLN A 38 -3.280 15.474 4.153 1.00 0.00 C ATOM 576 C GLN A 38 -2.448 14.231 3.855 1.00 0.00 C ATOM 577 O GLN A 38 -2.055 13.995 2.712 1.00 0.00 O ATOM 578 CB GLN A 38 -4.667 15.067 4.653 1.00 0.00 C ATOM 579 CG GLN A 38 -5.517 16.240 5.113 1.00 0.00 C ATOM 580 CD GLN A 38 -6.510 15.854 6.192 1.00 0.00 C ATOM 581 OE1 GLN A 38 -6.278 16.091 7.378 1.00 0.00 O ATOM 582 NE2 GLN A 38 -7.624 15.257 5.786 1.00 0.00 N ATOM 0 H GLN A 38 -3.927 15.901 2.204 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.776 16.048 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.191 14.540 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.555 14.365 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.867 17.030 5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.056 16.650 4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.775 15.080 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.329 14.975 6.467 1.00 0.00 H new ATOM 591 N CYS A 39 -2.184 13.441 4.890 1.00 0.00 N ATOM 592 CA CYS A 39 -1.397 12.222 4.739 1.00 0.00 C ATOM 593 C CYS A 39 -2.175 11.008 5.238 1.00 0.00 C ATOM 594 O CYS A 39 -3.136 11.142 5.995 1.00 0.00 O ATOM 595 CB CYS A 39 -0.077 12.345 5.501 1.00 0.00 C ATOM 596 SG CYS A 39 -0.269 12.497 7.292 1.00 0.00 S ATOM 0 H CYS A 39 -2.503 13.622 5.842 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.185 12.085 3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.537 11.471 5.285 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.465 13.215 5.129 1.00 0.00 H new ATOM 0 HG CYS A 39 0.902 12.593 7.847 1.00 0.00 H new ATOM 602 N PHE A 40 -1.753 9.824 4.807 1.00 0.00 N ATOM 603 CA PHE A 40 -2.411 8.586 5.207 1.00 0.00 C ATOM 604 C PHE A 40 -1.948 8.147 6.593 1.00 0.00 C ATOM 605 O PHE A 40 -0.913 8.598 7.085 1.00 0.00 O ATOM 606 CB PHE A 40 -2.127 7.480 4.188 1.00 0.00 C ATOM 607 CG PHE A 40 -2.690 7.762 2.825 1.00 0.00 C ATOM 608 CD1 PHE A 40 -4.008 7.455 2.527 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.901 8.335 1.840 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.528 7.713 1.273 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.416 8.596 0.584 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.732 8.285 0.301 1.00 0.00 C ATOM 0 H PHE A 40 -0.958 9.696 4.181 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.485 8.770 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.049 7.341 4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.542 6.542 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.636 7.009 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.872 8.580 2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.557 7.467 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.791 9.042 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.137 8.489 -0.679 1.00 0.00 H new ATOM 622 N ASP A 41 -2.722 7.266 7.217 1.00 0.00 N ATOM 623 CA ASP A 41 -2.392 6.765 8.547 1.00 0.00 C ATOM 624 C ASP A 41 -1.077 5.991 8.525 1.00 0.00 C ATOM 625 O ASP A 41 -0.563 5.650 7.460 1.00 0.00 O ATOM 626 CB ASP A 41 -3.516 5.871 9.071 1.00 0.00 C ATOM 627 CG ASP A 41 -4.789 6.645 9.352 1.00 0.00 C ATOM 628 OD1 ASP A 41 -5.106 7.567 8.572 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.468 6.329 10.351 1.00 0.00 O ATOM 0 H ASP A 41 -3.582 6.884 6.824 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.278 7.620 9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.724 5.088 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.186 5.376 9.984 1.00 0.00 H new ATOM 634 N LYS A 42 -0.538 5.719 9.708 1.00 0.00 N ATOM 635 CA LYS A 42 0.717 4.986 9.827 1.00 0.00 C ATOM 636 C LYS A 42 0.563 3.557 9.314 1.00 0.00 C ATOM 637 O LYS A 42 1.545 2.907 8.957 1.00 0.00 O ATOM 638 CB LYS A 42 1.186 4.968 11.283 1.00 0.00 C ATOM 639 CG LYS A 42 0.400 4.011 12.163 1.00 0.00 C ATOM 640 CD LYS A 42 -0.689 4.733 12.938 1.00 0.00 C ATOM 641 CE LYS A 42 -1.650 3.752 13.594 1.00 0.00 C ATOM 642 NZ LYS A 42 -1.029 3.062 14.758 1.00 0.00 N ATOM 0 H LYS A 42 -0.951 5.995 10.599 1.00 0.00 H new ATOM 0 HA LYS A 42 1.464 5.494 9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.240 4.693 11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.107 5.974 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.047 3.232 11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.077 3.517 12.860 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.236 5.365 13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.241 5.390 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.544 4.283 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.970 3.011 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.715 2.403 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.190 2.534 14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.747 3.766 15.469 1.00 0.00 H new ATOM 656 N MET A 43 -0.676 3.077 9.278 1.00 0.00 N ATOM 657 CA MET A 43 -0.957 1.726 8.806 1.00 0.00 C ATOM 658 C MET A 43 -1.167 1.711 7.295 1.00 0.00 C ATOM 659 O MET A 43 -0.732 0.788 6.606 1.00 0.00 O ATOM 660 CB MET A 43 -2.194 1.164 9.510 1.00 0.00 C ATOM 661 CG MET A 43 -3.407 2.077 9.429 1.00 0.00 C ATOM 662 SD MET A 43 -4.907 1.296 10.052 1.00 0.00 S ATOM 663 CE MET A 43 -4.546 1.218 11.805 1.00 0.00 C ATOM 0 H MET A 43 -1.500 3.603 9.570 1.00 0.00 H new ATOM 0 HA MET A 43 -0.097 1.099 9.042 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.446 0.199 9.070 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.955 0.983 10.558 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.212 2.986 9.999 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.562 2.378 8.393 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.439 0.908 12.347 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.747 0.498 11.980 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.232 2.201 12.156 1.00 0.00 H new ATOM 673 N THR A 44 -1.837 2.740 6.784 1.00 0.00 N ATOM 674 CA THR A 44 -2.105 2.844 5.356 1.00 0.00 C ATOM 675 C THR A 44 -0.864 3.294 4.594 1.00 0.00 C ATOM 676 O THR A 44 -0.608 2.838 3.481 1.00 0.00 O ATOM 677 CB THR A 44 -3.254 3.830 5.071 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.469 3.349 5.656 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.446 4.019 3.573 1.00 0.00 C ATOM 0 H THR A 44 -2.204 3.513 7.339 1.00 0.00 H new ATOM 0 HA THR A 44 -2.395 1.850 5.016 1.00 0.00 H new ATOM 0 HB THR A 44 -2.995 4.792 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.194 3.982 5.472 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.262 4.719 3.396 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.529 4.413 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.684 3.060 3.113 1.00 0.00 H new ATOM 687 N ASN A 45 -0.096 4.193 5.202 1.00 0.00 N ATOM 688 CA ASN A 45 1.120 4.705 4.580 1.00 0.00 C ATOM 689 C ASN A 45 1.896 3.582 3.897 1.00 0.00 C ATOM 690 O ASN A 45 2.435 3.762 2.806 1.00 0.00 O ATOM 691 CB ASN A 45 2.004 5.387 5.626 1.00 0.00 C ATOM 692 CG ASN A 45 3.356 5.787 5.068 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.442 6.495 4.065 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.422 5.332 5.717 1.00 0.00 N ATOM 0 H ASN A 45 -0.294 4.582 6.124 1.00 0.00 H new ATOM 0 HA ASN A 45 0.832 5.436 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.495 6.272 6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.148 4.714 6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.358 5.567 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.304 4.748 6.545 1.00 0.00 H new ATOM 701 N MET A 46 1.945 2.424 4.547 1.00 0.00 N ATOM 702 CA MET A 46 2.653 1.272 4.001 1.00 0.00 C ATOM 703 C MET A 46 1.825 0.588 2.918 1.00 0.00 C ATOM 704 O MET A 46 2.348 0.199 1.874 1.00 0.00 O ATOM 705 CB MET A 46 2.983 0.275 5.113 1.00 0.00 C ATOM 706 CG MET A 46 1.902 -0.772 5.331 1.00 0.00 C ATOM 707 SD MET A 46 2.215 -1.803 6.777 1.00 0.00 S ATOM 708 CE MET A 46 1.457 -0.817 8.066 1.00 0.00 C ATOM 0 H MET A 46 1.503 2.258 5.451 1.00 0.00 H new ATOM 0 HA MET A 46 3.582 1.627 3.554 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.920 -0.227 4.873 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.142 0.820 6.043 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.938 -0.275 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.831 -1.405 4.447 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.871 -1.103 9.033 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.658 0.238 7.883 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.380 -0.986 8.068 1.00 0.00 H new ATOM 718 N LYS A 47 0.529 0.445 3.173 1.00 0.00 N ATOM 719 CA LYS A 47 -0.374 -0.191 2.220 1.00 0.00 C ATOM 720 C LYS A 47 -0.113 0.312 0.805 1.00 0.00 C ATOM 721 O LYS A 47 -0.370 -0.392 -0.173 1.00 0.00 O ATOM 722 CB LYS A 47 -1.829 0.076 2.608 1.00 0.00 C ATOM 723 CG LYS A 47 -2.312 -0.765 3.777 1.00 0.00 C ATOM 724 CD LYS A 47 -3.811 -0.623 3.985 1.00 0.00 C ATOM 725 CE LYS A 47 -4.352 -1.712 4.898 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.584 -1.276 5.612 1.00 0.00 N ATOM 0 H LYS A 47 0.080 0.761 4.032 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.190 -1.265 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.941 1.131 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.467 -0.116 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.066 -1.812 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.788 -0.464 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.029 0.355 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.319 -0.669 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.569 -2.604 4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.589 -1.988 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.921 -2.046 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.371 -0.440 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.321 -1.037 4.918 1.00 0.00 H new ATOM 740 N LEU A 48 0.400 1.533 0.701 1.00 0.00 N ATOM 741 CA LEU A 48 0.698 2.131 -0.596 1.00 0.00 C ATOM 742 C LEU A 48 2.121 1.801 -1.034 1.00 0.00 C ATOM 743 O LEU A 48 2.339 1.291 -2.132 1.00 0.00 O ATOM 744 CB LEU A 48 0.510 3.648 -0.536 1.00 0.00 C ATOM 745 CG LEU A 48 -0.907 4.137 -0.233 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.921 5.645 -0.039 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.861 3.732 -1.347 1.00 0.00 C ATOM 0 H LEU A 48 0.618 2.129 1.500 1.00 0.00 H new ATOM 0 HA LEU A 48 0.006 1.714 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.181 4.047 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.822 4.071 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.242 3.669 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.937 5.975 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.270 5.911 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.566 6.132 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.864 4.088 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.529 4.171 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.874 2.646 -1.438 1.00 0.00 H new ATOM 759 N GLU A 49 3.085 2.093 -0.167 1.00 0.00 N ATOM 760 CA GLU A 49 4.487 1.825 -0.465 1.00 0.00 C ATOM 761 C GLU A 49 4.681 0.381 -0.916 1.00 0.00 C ATOM 762 O GLU A 49 5.404 0.110 -1.875 1.00 0.00 O ATOM 763 CB GLU A 49 5.355 2.109 0.763 1.00 0.00 C ATOM 764 CG GLU A 49 5.525 0.908 1.678 1.00 0.00 C ATOM 765 CD GLU A 49 6.298 1.241 2.940 1.00 0.00 C ATOM 766 OE1 GLU A 49 5.736 1.930 3.816 1.00 0.00 O ATOM 767 OE2 GLU A 49 7.466 0.812 3.050 1.00 0.00 O ATOM 0 H GLU A 49 2.921 2.515 0.747 1.00 0.00 H new ATOM 0 HA GLU A 49 4.792 2.485 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.338 2.446 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.911 2.927 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.543 0.521 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.042 0.115 1.138 1.00 0.00 H new ATOM 774 N VAL A 50 4.030 -0.544 -0.218 1.00 0.00 N ATOM 775 CA VAL A 50 4.129 -1.961 -0.546 1.00 0.00 C ATOM 776 C VAL A 50 3.699 -2.223 -1.985 1.00 0.00 C ATOM 777 O VAL A 50 4.232 -3.111 -2.651 1.00 0.00 O ATOM 778 CB VAL A 50 3.267 -2.818 0.400 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.904 -2.896 1.780 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.855 -2.260 0.487 1.00 0.00 C ATOM 0 H VAL A 50 3.428 -0.337 0.579 1.00 0.00 H new ATOM 0 HA VAL A 50 5.175 -2.241 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 50 3.209 -3.828 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.281 -3.505 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.894 -3.346 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.994 -1.893 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.260 -2.878 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.890 -1.239 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.401 -2.262 -0.504 1.00 0.00 H new ATOM 790 N ALA A 51 2.732 -1.445 -2.459 1.00 0.00 N ATOM 791 CA ALA A 51 2.232 -1.592 -3.820 1.00 0.00 C ATOM 792 C ALA A 51 3.178 -0.943 -4.825 1.00 0.00 C ATOM 793 O ALA A 51 3.293 -1.396 -5.964 1.00 0.00 O ATOM 794 CB ALA A 51 0.839 -0.989 -3.938 1.00 0.00 C ATOM 0 H ALA A 51 2.279 -0.706 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 51 2.176 -2.656 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.477 -1.106 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.162 -1.500 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.879 0.071 -3.686 1.00 0.00 H new ATOM 800 N TRP A 52 3.851 0.118 -4.397 1.00 0.00 N ATOM 801 CA TRP A 52 4.787 0.829 -5.261 1.00 0.00 C ATOM 802 C TRP A 52 6.086 0.046 -5.417 1.00 0.00 C ATOM 803 O TRP A 52 6.764 0.145 -6.440 1.00 0.00 O ATOM 804 CB TRP A 52 5.080 2.219 -4.695 1.00 0.00 C ATOM 805 CG TRP A 52 5.881 3.082 -5.623 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.436 4.168 -6.321 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.265 2.928 -5.954 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.461 4.699 -7.067 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.593 3.957 -6.859 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.260 2.023 -5.574 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.873 4.103 -7.387 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.530 2.169 -6.100 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.828 3.203 -6.998 1.00 0.00 C ATOM 0 H TRP A 52 3.767 0.505 -3.457 1.00 0.00 H new ATOM 0 HA TRP A 52 4.328 0.934 -6.244 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.137 2.718 -4.470 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.618 2.114 -3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.427 4.553 -6.291 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.390 5.514 -7.677 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.041 1.224 -4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.104 4.899 -8.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.306 1.474 -5.814 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.830 3.291 -7.390 1.00 0.00 H new ATOM 824 N LYS A 53 6.429 -0.733 -4.396 1.00 0.00 N ATOM 825 CA LYS A 53 7.646 -1.535 -4.420 1.00 0.00 C ATOM 826 C LYS A 53 7.380 -2.911 -5.022 1.00 0.00 C ATOM 827 O LYS A 53 8.249 -3.494 -5.670 1.00 0.00 O ATOM 828 CB LYS A 53 8.210 -1.686 -3.005 1.00 0.00 C ATOM 829 CG LYS A 53 8.570 -0.364 -2.350 1.00 0.00 C ATOM 830 CD LYS A 53 9.869 0.197 -2.903 1.00 0.00 C ATOM 831 CE LYS A 53 11.074 -0.573 -2.385 1.00 0.00 C ATOM 832 NZ LYS A 53 12.334 -0.148 -3.055 1.00 0.00 N ATOM 0 H LYS A 53 5.880 -0.826 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 53 8.377 -1.021 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.478 -2.202 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.098 -2.317 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.765 0.354 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.662 -0.504 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.850 0.155 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.960 1.247 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.166 -0.422 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.919 -1.640 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.132 -0.696 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.256 -0.315 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.495 0.865 -2.881 1.00 0.00 H new ATOM 846 N ALA A 54 6.173 -3.423 -4.806 1.00 0.00 N ATOM 847 CA ALA A 54 5.791 -4.728 -5.331 1.00 0.00 C ATOM 848 C ALA A 54 5.542 -4.664 -6.834 1.00 0.00 C ATOM 849 O ALA A 54 5.127 -5.648 -7.447 1.00 0.00 O ATOM 850 CB ALA A 54 4.555 -5.246 -4.610 1.00 0.00 C ATOM 0 H ALA A 54 5.443 -2.954 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 54 6.616 -5.418 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.281 -6.221 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.767 -5.339 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.730 -4.549 -4.756 1.00 0.00 H new ATOM 856 N LYS A 55 5.797 -3.500 -7.422 1.00 0.00 N ATOM 857 CA LYS A 55 5.601 -3.307 -8.854 1.00 0.00 C ATOM 858 C LYS A 55 4.129 -3.453 -9.226 1.00 0.00 C ATOM 859 O LYS A 55 3.796 -3.952 -10.301 1.00 0.00 O ATOM 860 CB LYS A 55 6.440 -4.314 -9.645 1.00 0.00 C ATOM 861 CG LYS A 55 7.932 -4.193 -9.392 1.00 0.00 C ATOM 862 CD LYS A 55 8.733 -5.045 -10.363 1.00 0.00 C ATOM 863 CE LYS A 55 9.040 -4.288 -11.646 1.00 0.00 C ATOM 864 NZ LYS A 55 10.133 -4.935 -12.424 1.00 0.00 N ATOM 0 H LYS A 55 6.140 -2.676 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 55 5.923 -2.297 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.117 -5.323 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.248 -4.178 -10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.235 -3.150 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.155 -4.498 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.665 -5.357 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.176 -5.952 -10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.141 -4.234 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.324 -3.264 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.312 -4.389 -13.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.999 -4.964 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.852 -5.904 -12.677 1.00 0.00 H new ATOM 878 N LYS A 56 3.251 -3.011 -8.332 1.00 0.00 N ATOM 879 CA LYS A 56 1.814 -3.089 -8.566 1.00 0.00 C ATOM 880 C LYS A 56 1.351 -1.964 -9.486 1.00 0.00 C ATOM 881 O LYS A 56 2.070 -0.988 -9.701 1.00 0.00 O ATOM 882 CB LYS A 56 1.055 -3.022 -7.239 1.00 0.00 C ATOM 883 CG LYS A 56 1.312 -4.212 -6.331 1.00 0.00 C ATOM 884 CD LYS A 56 0.330 -5.340 -6.599 1.00 0.00 C ATOM 885 CE LYS A 56 0.483 -6.465 -5.586 1.00 0.00 C ATOM 886 NZ LYS A 56 1.770 -7.195 -5.758 1.00 0.00 N ATOM 0 H LYS A 56 3.510 -2.595 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 56 1.602 -4.042 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.336 -2.108 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.014 -2.956 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.330 -4.572 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.234 -3.900 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.688 -4.953 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.488 -5.730 -7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.430 -6.055 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.347 -7.163 -5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.576 -8.192 -5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.311 -6.766 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.322 -7.137 -4.879 1.00 0.00 H new ATOM 900 N LYS A 57 0.145 -2.105 -10.026 1.00 0.00 N ATOM 901 CA LYS A 57 -0.416 -1.100 -10.921 1.00 0.00 C ATOM 902 C LYS A 57 -1.266 -0.097 -10.147 1.00 0.00 C ATOM 903 O LYS A 57 -1.288 1.091 -10.468 1.00 0.00 O ATOM 904 CB LYS A 57 -1.260 -1.769 -12.008 1.00 0.00 C ATOM 905 CG LYS A 57 -1.521 -0.877 -13.209 1.00 0.00 C ATOM 906 CD LYS A 57 -0.293 -0.763 -14.097 1.00 0.00 C ATOM 907 CE LYS A 57 -0.640 -0.175 -15.456 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.289 -1.177 -16.345 1.00 0.00 N ATOM 0 H LYS A 57 -0.463 -2.907 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 57 0.410 -0.565 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.755 -2.676 -12.342 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.214 -2.075 -11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.353 -1.278 -13.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.818 0.115 -12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.454 -0.137 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.154 -1.748 -14.229 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.306 0.678 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.266 0.199 -15.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.448 -0.757 -17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.673 -2.009 -16.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.201 -1.465 -15.936 1.00 0.00 H new ATOM 922 N ASP A 58 -1.964 -0.583 -9.127 1.00 0.00 N ATOM 923 CA ASP A 58 -2.814 0.271 -8.305 1.00 0.00 C ATOM 924 C ASP A 58 -3.217 -0.440 -7.017 1.00 0.00 C ATOM 925 O ASP A 58 -3.364 -1.662 -6.989 1.00 0.00 O ATOM 926 CB ASP A 58 -4.062 0.686 -9.086 1.00 0.00 C ATOM 927 CG ASP A 58 -4.699 -0.478 -9.819 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.203 -0.837 -10.908 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.694 -1.031 -9.305 1.00 0.00 O ATOM 0 H ASP A 58 -1.958 -1.564 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.245 1.163 -8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.789 1.121 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.797 1.462 -9.804 1.00 0.00 H new ATOM 934 N THR A 59 -3.393 0.333 -5.950 1.00 0.00 N ATOM 935 CA THR A 59 -3.776 -0.222 -4.659 1.00 0.00 C ATOM 936 C THR A 59 -4.984 0.508 -4.083 1.00 0.00 C ATOM 937 O THR A 59 -5.063 1.735 -4.135 1.00 0.00 O ATOM 938 CB THR A 59 -2.616 -0.147 -3.648 1.00 0.00 C ATOM 939 OG1 THR A 59 -3.042 -0.643 -2.375 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.118 1.283 -3.500 1.00 0.00 C ATOM 0 H THR A 59 -3.276 1.346 -5.955 1.00 0.00 H new ATOM 0 HA THR A 59 -4.033 -1.267 -4.829 1.00 0.00 H new ATOM 0 HB THR A 59 -1.798 -0.763 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.298 -0.593 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.299 1.311 -2.781 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.766 1.647 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.932 1.917 -3.148 1.00 0.00 H new ATOM 948 N VAL A 60 -5.924 -0.255 -3.533 1.00 0.00 N ATOM 949 CA VAL A 60 -7.128 0.320 -2.945 1.00 0.00 C ATOM 950 C VAL A 60 -6.940 0.585 -1.456 1.00 0.00 C ATOM 951 O VAL A 60 -6.393 -0.246 -0.731 1.00 0.00 O ATOM 952 CB VAL A 60 -8.345 -0.604 -3.142 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.503 -0.155 -2.264 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.757 -0.637 -4.606 1.00 0.00 C ATOM 0 H VAL A 60 -5.875 -1.273 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.311 1.264 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.065 -1.614 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.354 -0.819 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.200 -0.188 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.786 0.864 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.618 -1.294 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.020 0.369 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.929 -1.009 -5.209 1.00 0.00 H new ATOM 964 N VAL A 61 -7.398 1.748 -1.005 1.00 0.00 N ATOM 965 CA VAL A 61 -7.282 2.123 0.400 1.00 0.00 C ATOM 966 C VAL A 61 -8.540 2.836 0.884 1.00 0.00 C ATOM 967 O VAL A 61 -9.236 3.484 0.104 1.00 0.00 O ATOM 968 CB VAL A 61 -6.064 3.035 0.638 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.771 2.284 0.359 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.159 4.286 -0.221 1.00 0.00 C ATOM 0 H VAL A 61 -7.853 2.447 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.151 1.200 0.965 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.060 3.340 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.922 2.945 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.701 1.421 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.762 1.947 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.290 4.919 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.189 4.003 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.066 4.834 0.033 1.00 0.00 H new ATOM 980 N GLN A 62 -8.824 2.710 2.176 1.00 0.00 N ATOM 981 CA GLN A 62 -9.998 3.343 2.765 1.00 0.00 C ATOM 982 C GLN A 62 -9.734 4.816 3.057 1.00 0.00 C ATOM 983 O GLN A 62 -9.024 5.153 4.005 1.00 0.00 O ATOM 984 CB GLN A 62 -10.403 2.620 4.050 1.00 0.00 C ATOM 985 CG GLN A 62 -11.005 1.244 3.811 1.00 0.00 C ATOM 986 CD GLN A 62 -9.955 0.153 3.736 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.200 -0.065 4.684 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.902 -0.540 2.605 1.00 0.00 N ATOM 0 H GLN A 62 -8.258 2.176 2.835 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.815 3.275 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.527 2.518 4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.124 3.234 4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.706 1.014 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.576 1.258 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.547 -0.325 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.216 -1.287 2.496 1.00 0.00 H new ATOM 997 N ILE A 63 -10.310 5.689 2.238 1.00 0.00 N ATOM 998 CA ILE A 63 -10.137 7.126 2.410 1.00 0.00 C ATOM 999 C ILE A 63 -11.473 7.813 2.677 1.00 0.00 C ATOM 1000 O ILE A 63 -12.405 7.711 1.879 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.482 7.767 1.172 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.110 7.140 0.913 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.356 9.271 1.358 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.472 7.597 -0.380 1.00 0.00 C ATOM 0 H ILE A 63 -10.900 5.427 1.449 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.482 7.264 3.270 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.116 7.580 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.446 7.383 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.213 6.055 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.891 9.709 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.346 9.704 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.740 9.479 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.503 7.113 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.116 7.330 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.337 8.678 -0.357 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.557 8.513 3.803 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.778 9.220 4.174 1.00 0.00 C ATOM 1018 C HIS A 64 -13.927 8.240 4.394 1.00 0.00 C ATOM 1019 O HIS A 64 -15.083 8.549 4.107 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.156 10.232 3.092 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.149 11.327 2.920 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -10.809 11.336 3.108 1.00 0.00 N flip ATOM 1023 CD2 HIS A 64 -12.485 12.600 2.507 1.00 0.00 C flip ATOM 1024 CE1 HIS A 64 -10.364 12.600 2.807 1.00 0.00 C flip ATOM 1025 NE2 HIS A 64 -11.395 13.343 2.448 1.00 0.00 N flip ATOM 0 H HIS A 64 -10.795 8.606 4.474 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.592 9.751 5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.278 9.709 2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.122 10.673 3.339 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.483 12.936 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.338 12.932 2.856 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.356 14.324 2.172 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.600 7.057 4.905 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.605 6.032 5.162 1.00 0.00 C ATOM 1036 C ASN A 65 -15.169 5.483 3.855 1.00 0.00 C ATOM 1037 O ASN A 65 -16.300 5.001 3.810 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.737 6.601 6.020 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.221 7.420 7.188 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.057 7.309 7.572 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.089 8.246 7.759 1.00 0.00 N ATOM 0 H ASN A 65 -12.648 6.785 5.149 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.125 5.215 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.382 7.224 5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.351 5.783 6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.801 8.822 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.044 8.305 7.407 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.371 5.559 2.794 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.791 5.070 1.487 1.00 0.00 C ATOM 1050 C GLN A 66 -13.607 4.501 0.712 1.00 0.00 C ATOM 1051 O GLN A 66 -12.561 5.141 0.599 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.447 6.195 0.684 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.881 7.572 0.993 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.862 8.687 0.690 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.846 8.876 1.406 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.599 9.435 -0.376 1.00 0.00 N ATOM 0 H GLN A 66 -13.431 5.954 2.815 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.518 4.272 1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.324 5.991 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.518 6.198 0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.599 7.617 2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.971 7.726 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.772 9.244 -0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.224 10.201 -0.628 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.778 3.295 0.182 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.723 2.640 -0.583 1.00 0.00 C ATOM 1067 C ASP A 67 -12.363 3.455 -1.821 1.00 0.00 C ATOM 1068 O ASP A 67 -13.240 3.886 -2.570 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.160 1.233 -0.993 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.204 1.248 -2.092 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -13.827 1.451 -3.266 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.397 1.056 -1.780 1.00 0.00 O ATOM 0 H ASP A 67 -14.637 2.751 0.268 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.840 2.568 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.290 0.669 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.560 0.712 -0.123 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.067 3.663 -2.030 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.591 4.429 -3.176 1.00 0.00 C ATOM 1079 C PHE A 68 -9.507 3.662 -3.930 1.00 0.00 C ATOM 1080 O PHE A 68 -8.803 2.833 -3.354 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.049 5.785 -2.721 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.081 6.876 -2.730 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.292 6.708 -2.078 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.840 8.071 -3.389 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.244 7.710 -2.085 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.788 9.077 -3.400 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.991 8.897 -2.746 1.00 0.00 C ATOM 0 H PHE A 68 -10.328 3.312 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.433 4.590 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.645 5.686 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.222 6.073 -3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.494 5.783 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.900 8.218 -3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.185 7.565 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.588 10.003 -3.919 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.732 9.682 -2.751 1.00 0.00 H new ATOM 1097 N THR A 69 -9.381 3.946 -5.222 1.00 0.00 N ATOM 1098 CA THR A 69 -8.385 3.283 -6.056 1.00 0.00 C ATOM 1099 C THR A 69 -7.188 4.192 -6.309 1.00 0.00 C ATOM 1100 O THR A 69 -7.283 5.169 -7.052 1.00 0.00 O ATOM 1101 CB THR A 69 -8.983 2.851 -7.408 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.149 2.048 -7.194 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.965 2.069 -8.224 1.00 0.00 C ATOM 0 H THR A 69 -9.956 4.630 -5.714 1.00 0.00 H new ATOM 0 HA THR A 69 -8.056 2.397 -5.513 1.00 0.00 H new ATOM 0 HB THR A 69 -9.258 3.748 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.524 1.779 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.410 1.774 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.091 2.693 -8.410 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.664 1.178 -7.673 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.059 3.863 -5.688 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.842 4.649 -5.848 1.00 0.00 C ATOM 1113 C VAL A 70 -3.931 4.041 -6.909 1.00 0.00 C ATOM 1114 O VAL A 70 -3.406 2.941 -6.735 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.066 4.758 -4.522 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.770 5.528 -4.723 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.926 5.416 -3.454 1.00 0.00 C ATOM 0 H VAL A 70 -5.963 3.058 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.148 5.646 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.815 3.752 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.236 5.595 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.149 5.010 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.995 6.532 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.362 5.485 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.210 6.416 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.823 4.819 -3.291 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.747 4.765 -8.008 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.898 4.298 -9.097 1.00 0.00 C ATOM 1129 C ASP A 71 -1.466 4.795 -8.922 1.00 0.00 C ATOM 1130 O ASP A 71 -1.218 6.001 -8.875 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.453 4.767 -10.443 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.131 3.806 -11.570 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.860 2.803 -11.722 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.150 4.057 -12.300 1.00 0.00 O ATOM 0 H ASP A 71 -4.174 5.677 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.890 3.208 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.534 4.883 -10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.043 5.749 -10.679 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.528 3.860 -8.824 1.00 0.00 N ATOM 1140 CA LEU A 72 0.880 4.203 -8.653 1.00 0.00 C ATOM 1141 C LEU A 72 1.463 4.769 -9.943 1.00 0.00 C ATOM 1142 O LEU A 72 2.207 5.750 -9.922 1.00 0.00 O ATOM 1143 CB LEU A 72 1.676 2.971 -8.218 1.00 0.00 C ATOM 1144 CG LEU A 72 1.124 2.206 -7.014 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.523 0.741 -7.084 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.611 2.832 -5.715 1.00 0.00 C ATOM 0 H LEU A 72 -0.716 2.858 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 72 0.951 4.966 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.736 2.285 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.695 3.284 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 72 0.036 2.266 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.121 0.213 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.124 0.299 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.610 0.660 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.208 2.275 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.700 2.803 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.274 3.867 -5.661 1.00 0.00 H new ATOM 1158 N SER A 73 1.119 4.146 -11.066 1.00 0.00 N ATOM 1159 CA SER A 73 1.610 4.588 -12.366 1.00 0.00 C ATOM 1160 C SER A 73 1.575 6.109 -12.472 1.00 0.00 C ATOM 1161 O SER A 73 2.570 6.742 -12.826 1.00 0.00 O ATOM 1162 CB SER A 73 0.774 3.967 -13.488 1.00 0.00 C ATOM 1163 OG SER A 73 1.489 3.957 -14.711 1.00 0.00 O ATOM 0 H SER A 73 0.503 3.334 -11.102 1.00 0.00 H new ATOM 0 HA SER A 73 2.644 4.259 -12.468 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.496 2.948 -13.217 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.152 4.529 -13.609 1.00 0.00 H new ATOM 0 HG SER A 73 0.934 3.554 -15.411 1.00 0.00 H new ATOM 1169 N THR A 74 0.420 6.691 -12.163 1.00 0.00 N ATOM 1170 CA THR A 74 0.253 8.138 -12.225 1.00 0.00 C ATOM 1171 C THR A 74 0.285 8.755 -10.831 1.00 0.00 C ATOM 1172 O THR A 74 0.495 9.957 -10.679 1.00 0.00 O ATOM 1173 CB THR A 74 -1.070 8.522 -12.914 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.201 9.947 -12.964 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.258 7.925 -12.175 1.00 0.00 C ATOM 0 H THR A 74 -0.413 6.182 -11.867 1.00 0.00 H new ATOM 0 HA THR A 74 1.085 8.528 -12.811 1.00 0.00 H new ATOM 0 HB THR A 74 -1.055 8.123 -13.928 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.044 10.183 -13.405 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.181 8.210 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.171 6.839 -12.164 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.275 8.298 -11.151 1.00 0.00 H new ATOM 1183 N ASN A 75 0.075 7.923 -9.816 1.00 0.00 N ATOM 1184 CA ASN A 75 0.080 8.387 -8.433 1.00 0.00 C ATOM 1185 C ASN A 75 -1.127 9.278 -8.155 1.00 0.00 C ATOM 1186 O ASN A 75 -0.983 10.414 -7.701 1.00 0.00 O ATOM 1187 CB ASN A 75 1.372 9.150 -8.135 1.00 0.00 C ATOM 1188 CG ASN A 75 2.574 8.549 -8.836 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.737 8.694 -10.048 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.424 7.868 -8.075 1.00 0.00 N ATOM 0 H ASN A 75 -0.101 6.924 -9.925 1.00 0.00 H new ATOM 0 HA ASN A 75 0.023 7.515 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.257 10.189 -8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.548 9.155 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.251 7.440 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.249 7.773 -7.075 1.00 0.00 H new ATOM 1197 N THR A 76 -2.318 8.755 -8.429 1.00 0.00 N ATOM 1198 CA THR A 76 -3.550 9.502 -8.208 1.00 0.00 C ATOM 1199 C THR A 76 -4.674 8.584 -7.743 1.00 0.00 C ATOM 1200 O THR A 76 -4.849 7.486 -8.269 1.00 0.00 O ATOM 1201 CB THR A 76 -3.998 10.236 -9.487 1.00 0.00 C ATOM 1202 OG1 THR A 76 -2.981 11.153 -9.907 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.299 10.988 -9.251 1.00 0.00 C ATOM 0 H THR A 76 -2.455 7.817 -8.804 1.00 0.00 H new ATOM 0 HA THR A 76 -3.340 10.236 -7.430 1.00 0.00 H new ATOM 0 HB THR A 76 -4.162 9.493 -10.268 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.272 11.614 -10.721 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.596 11.498 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.078 10.284 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.157 11.721 -8.457 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.434 9.042 -6.753 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.543 8.262 -6.218 1.00 0.00 C ATOM 1213 C ALA A 77 -7.850 8.616 -6.919 1.00 0.00 C ATOM 1214 O ALA A 77 -8.040 9.746 -7.370 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.669 8.484 -4.718 1.00 0.00 C ATOM 0 H ALA A 77 -5.302 9.949 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.336 7.208 -6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.501 7.895 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.747 8.175 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.849 9.541 -4.520 1.00 0.00 H new ATOM 1221 N THR A 78 -8.751 7.642 -7.009 1.00 0.00 N ATOM 1222 CA THR A 78 -10.039 7.849 -7.657 1.00 0.00 C ATOM 1223 C THR A 78 -11.100 6.917 -7.082 1.00 0.00 C ATOM 1224 O THR A 78 -10.808 5.779 -6.717 1.00 0.00 O ATOM 1225 CB THR A 78 -9.946 7.626 -9.178 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.849 8.373 -9.717 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.237 8.043 -9.867 1.00 0.00 C ATOM 0 H THR A 78 -8.611 6.701 -6.640 1.00 0.00 H new ATOM 0 HA THR A 78 -10.325 8.883 -7.466 1.00 0.00 H new ATOM 0 HB THR A 78 -9.784 6.563 -9.357 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.796 8.224 -10.684 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.147 7.876 -10.940 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.065 7.452 -9.476 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.425 9.100 -9.679 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.333 7.408 -7.006 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.438 6.617 -6.478 1.00 0.00 C ATOM 1237 C ALA A 79 -14.683 6.766 -7.346 1.00 0.00 C ATOM 1238 O ALA A 79 -14.870 7.765 -8.040 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.740 7.024 -5.044 1.00 0.00 C ATOM 0 H ALA A 79 -12.591 8.349 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.141 5.568 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.567 6.425 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.858 6.860 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.012 8.079 -5.015 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.556 5.748 -7.308 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.799 5.743 -8.086 1.00 0.00 C ATOM 1247 C PRO A 80 -17.811 6.759 -7.569 1.00 0.00 C ATOM 1248 O PRO A 80 -18.917 6.870 -8.097 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.328 4.319 -7.899 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.745 3.865 -6.605 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.398 4.525 -6.503 1.00 0.00 C ATOM 0 HA PRO A 80 -16.629 6.016 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.417 4.302 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.021 3.672 -8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.383 4.149 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.651 2.779 -6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.140 4.755 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.607 3.886 -6.894 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.424 7.499 -6.535 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.299 8.506 -5.947 1.00 0.00 C ATOM 1261 C GLN A 81 -18.158 9.841 -6.672 1.00 0.00 C ATOM 1262 O GLN A 81 -19.135 10.565 -6.858 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.982 8.684 -4.461 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.807 7.371 -3.715 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.210 7.470 -2.257 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -19.024 8.315 -1.882 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.641 6.605 -1.425 1.00 0.00 N ATOM 0 H GLN A 81 -16.511 7.420 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.328 8.162 -6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.071 9.274 -4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.784 9.254 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.403 6.599 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.765 7.057 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.972 5.922 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.873 6.624 -0.432 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.933 10.160 -7.081 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.686 11.407 -7.781 1.00 0.00 C ATOM 1278 C GLY A 82 -15.610 12.242 -7.115 1.00 0.00 C ATOM 1279 O GLY A 82 -15.662 13.471 -7.147 1.00 0.00 O ATOM 0 H GLY A 82 -16.108 9.577 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.391 11.191 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.610 11.982 -7.829 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.634 11.573 -6.509 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.543 12.263 -5.831 1.00 0.00 C ATOM 1285 C GLN A 83 -12.194 11.678 -6.236 1.00 0.00 C ATOM 1286 O GLN A 83 -12.022 10.460 -6.284 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.718 12.170 -4.314 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.753 13.135 -3.760 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.145 12.536 -3.716 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.899 12.616 -4.686 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.493 11.930 -2.587 1.00 0.00 N ATOM 0 H GLN A 83 -14.577 10.555 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.568 13.311 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.006 11.152 -4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.759 12.364 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.460 13.438 -2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.769 14.036 -4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.836 11.887 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.417 11.507 -2.499 1.00 0.00 H new ATOM 1300 N THR A 84 -11.238 12.555 -6.528 1.00 0.00 N ATOM 1301 CA THR A 84 -9.905 12.126 -6.931 1.00 0.00 C ATOM 1302 C THR A 84 -8.828 12.921 -6.202 1.00 0.00 C ATOM 1303 O THR A 84 -9.013 14.099 -5.895 1.00 0.00 O ATOM 1304 CB THR A 84 -9.701 12.280 -8.450 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.732 13.665 -8.811 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.775 11.526 -9.220 1.00 0.00 C ATOM 0 H THR A 84 -11.363 13.567 -6.493 1.00 0.00 H new ATOM 0 HA THR A 84 -9.818 11.073 -6.665 1.00 0.00 H new ATOM 0 HB THR A 84 -8.729 11.860 -8.708 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.600 13.754 -9.778 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.610 11.650 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.729 10.467 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.756 11.920 -8.956 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.702 12.270 -5.928 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.595 12.917 -5.234 1.00 0.00 C ATOM 1316 C PHE A 85 -5.258 12.516 -5.851 1.00 0.00 C ATOM 1317 O PHE A 85 -5.202 11.676 -6.750 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.613 12.552 -3.748 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.991 12.277 -3.216 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.916 13.300 -3.089 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.359 10.994 -2.842 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.185 13.049 -2.600 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.626 10.738 -2.353 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.539 11.767 -2.230 1.00 0.00 C ATOM 0 H PHE A 85 -7.532 11.295 -6.176 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.715 13.995 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.989 11.672 -3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.167 13.366 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.643 14.305 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.648 10.186 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.898 13.855 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.902 9.734 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.528 11.569 -1.845 1.00 0.00 H new ATOM 1334 N THR A 86 -4.181 13.124 -5.362 1.00 0.00 N ATOM 1335 CA THR A 86 -2.845 12.833 -5.865 1.00 0.00 C ATOM 1336 C THR A 86 -1.941 12.312 -4.755 1.00 0.00 C ATOM 1337 O THR A 86 -1.779 12.956 -3.718 1.00 0.00 O ATOM 1338 CB THR A 86 -2.198 14.081 -6.496 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.060 14.625 -7.501 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.848 13.740 -7.108 1.00 0.00 C ATOM 0 H THR A 86 -4.209 13.821 -4.618 1.00 0.00 H new ATOM 0 HA THR A 86 -2.956 12.064 -6.630 1.00 0.00 H new ATOM 0 HB THR A 86 -2.046 14.821 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.642 15.419 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.411 14.637 -7.547 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.185 13.354 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.980 12.984 -7.882 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.352 11.141 -4.977 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.462 10.533 -3.995 1.00 0.00 C ATOM 1350 C VAL A 87 1.000 10.796 -4.342 1.00 0.00 C ATOM 1351 O VAL A 87 1.408 10.661 -5.494 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.689 9.013 -3.896 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.908 8.710 -3.038 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.839 8.406 -5.283 1.00 0.00 C ATOM 0 H VAL A 87 -1.475 10.594 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.693 10.990 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 87 0.182 8.563 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.053 7.631 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.756 9.111 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.790 9.171 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.999 7.331 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.692 8.859 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.066 8.592 -5.861 1.00 0.00 H new ATOM 1364 N GLN A 88 1.782 11.173 -3.335 1.00 0.00 N ATOM 1365 CA GLN A 88 3.199 11.455 -3.534 1.00 0.00 C ATOM 1366 C GLN A 88 4.060 10.580 -2.629 1.00 0.00 C ATOM 1367 O GLN A 88 3.691 10.295 -1.490 1.00 0.00 O ATOM 1368 CB GLN A 88 3.489 12.932 -3.262 1.00 0.00 C ATOM 1369 CG GLN A 88 2.948 13.423 -1.929 1.00 0.00 C ATOM 1370 CD GLN A 88 2.784 14.929 -1.885 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.245 15.642 -2.777 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.126 15.423 -0.843 1.00 0.00 N ATOM 0 H GLN A 88 1.459 11.290 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 88 3.447 11.228 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.567 13.093 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.057 13.532 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.985 12.951 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.622 13.111 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.761 14.796 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.986 16.430 -0.759 1.00 0.00 H new ATOM 1381 N ARG A 89 5.209 10.156 -3.144 1.00 0.00 N ATOM 1382 CA ARG A 89 6.122 9.312 -2.383 1.00 0.00 C ATOM 1383 C ARG A 89 7.322 10.115 -1.890 1.00 0.00 C ATOM 1384 O ARG A 89 8.019 10.758 -2.678 1.00 0.00 O ATOM 1385 CB ARG A 89 6.599 8.137 -3.240 1.00 0.00 C ATOM 1386 CG ARG A 89 7.196 6.997 -2.432 1.00 0.00 C ATOM 1387 CD ARG A 89 7.316 5.729 -3.263 1.00 0.00 C ATOM 1388 NE ARG A 89 8.039 4.676 -2.553 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.364 4.584 -2.526 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.107 5.478 -3.164 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.948 3.598 -1.858 1.00 0.00 N ATOM 0 H ARG A 89 5.530 10.383 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 89 5.584 8.927 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.759 7.758 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.343 8.496 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.180 7.287 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.573 6.803 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.320 5.372 -3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.830 5.955 -4.197 1.00 0.00 H new ATOM 0 HE ARG A 89 7.497 3.973 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.661 6.239 -3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.124 5.405 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.380 2.910 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.965 3.528 -1.838 1.00 0.00 H new ATOM 1405 N LEU A 90 7.558 10.075 -0.584 1.00 0.00 N ATOM 1406 CA LEU A 90 8.674 10.800 0.015 1.00 0.00 C ATOM 1407 C LEU A 90 9.509 9.879 0.899 1.00 0.00 C ATOM 1408 O LEU A 90 8.971 9.102 1.688 1.00 0.00 O ATOM 1409 CB LEU A 90 8.157 11.983 0.836 1.00 0.00 C ATOM 1410 CG LEU A 90 7.025 12.794 0.205 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.677 12.161 0.514 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.064 14.235 0.693 1.00 0.00 C ATOM 0 H LEU A 90 6.992 9.548 0.081 1.00 0.00 H new ATOM 0 HA LEU A 90 9.307 11.173 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.815 11.608 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.992 12.655 1.034 1.00 0.00 H new ATOM 0 HG LEU A 90 7.164 12.794 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.884 12.752 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.651 11.147 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.529 12.129 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.251 14.797 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.952 14.255 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.017 14.686 0.419 1.00 0.00 H new