USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 761 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 59 ASN : amide:sc= -1.16 K(o=-0.87,f=-6!) USER MOD Set 1.2: A 107 SER OG : rot 148:sc= 0.289 USER MOD Set 2.1: A 36 LYS NZ :NH3+ -117:sc= -0.567 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot 166:sc= -0.588 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 79:sc= 0.84 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -75:sc= 0.383 USER MOD Single : A 54 THR OG1 : rot -3:sc= 1.07 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0793 USER MOD Single : A 61 GLN : amide:sc= -0.0683 K(o=-0.068,f=-1.4) USER MOD Single : A 65 THR OG1 : rot 79:sc= 1 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 68 GLN : amide:sc= -1.04 K(o=-1,f=-0.0013) USER MOD Single : A 73 CYS SG : rot 76:sc= -0.636 USER MOD Single : A 74 SER OG : rot -23:sc= 0.614 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -3.32! K(o=-3.3!,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 72:sc= 1 USER MOD Single : A 95 LYS NZ :NH3+ -173:sc=-0.00395 (180deg=-0.0653) USER MOD Single : A 99 SER OG : rot 80:sc= 0.122 USER MOD Single : A 101 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.49) USER MOD Single : A 104 GLN : amide:sc=-0.00721 X(o=-0.0072,f=0) USER MOD Single : A 106 SER OG : rot 85:sc= 0.305 USER MOD Single : A 115 THR OG1 : rot 140:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -7.13! C(o=-7.1!,f=-10!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 121 ASN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 73:sc= -0.802 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 130 SER OG : rot 76:sc= 0.646 USER MOD Single : A 134 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -7.419 -12.273 -10.228 1.00 53.12 N ATOM 529 CA LYS A 36 -6.937 -11.358 -11.272 1.00 43.30 C ATOM 530 C LYS A 36 -5.652 -10.627 -10.834 1.00 20.42 C ATOM 531 O LYS A 36 -4.826 -10.245 -11.669 1.00 1.12 O ATOM 532 CB LYS A 36 -8.058 -10.351 -11.619 1.00 0.14 C ATOM 533 CG LYS A 36 -7.723 -9.337 -12.724 1.00 33.02 C ATOM 534 CD LYS A 36 -7.108 -8.046 -12.174 1.00 65.53 C ATOM 535 CE LYS A 36 -6.880 -7.016 -13.276 1.00 31.03 C ATOM 536 NZ LYS A 36 -6.357 -5.724 -12.748 1.00 75.51 N ATOM 0 HA LYS A 36 -6.684 -11.937 -12.160 1.00 43.30 H new ATOM 0 HB2 LYS A 36 -8.943 -10.911 -11.921 1.00 0.14 H new ATOM 0 HB3 LYS A 36 -8.321 -9.802 -10.715 1.00 0.14 H new ATOM 0 HG2 LYS A 36 -7.030 -9.792 -13.431 1.00 33.02 H new ATOM 0 HG3 LYS A 36 -8.631 -9.095 -13.277 1.00 33.02 H new ATOM 0 HD2 LYS A 36 -7.765 -7.625 -11.413 1.00 65.53 H new ATOM 0 HD3 LYS A 36 -6.160 -8.273 -11.686 1.00 65.53 H new ATOM 0 HE2 LYS A 36 -6.177 -7.418 -14.005 1.00 31.03 H new ATOM 0 HE3 LYS A 36 -7.818 -6.837 -13.802 1.00 31.03 H new ATOM 0 HZ1 LYS A 36 -7.046 -4.968 -12.936 1.00 75.51 H new ATOM 0 HZ2 LYS A 36 -6.203 -5.805 -11.723 1.00 75.51 H new ATOM 0 HZ3 LYS A 36 -5.457 -5.497 -13.216 1.00 75.51 H new ATOM 550 N ILE A 37 -5.487 -10.433 -9.521 1.00 2.14 N ATOM 551 CA ILE A 37 -4.318 -9.724 -8.985 1.00 50.01 C ATOM 552 C ILE A 37 -3.030 -10.546 -9.166 1.00 24.54 C ATOM 553 O ILE A 37 -2.672 -11.359 -8.312 1.00 12.44 O ATOM 554 CB ILE A 37 -4.475 -9.378 -7.477 1.00 61.10 C ATOM 555 CG1 ILE A 37 -5.831 -8.704 -7.197 1.00 34.32 C ATOM 556 CG2 ILE A 37 -3.324 -8.485 -7.009 1.00 62.44 C ATOM 557 CD1 ILE A 37 -6.121 -7.487 -8.056 1.00 43.24 C ATOM 0 H ILE A 37 -6.145 -10.755 -8.811 1.00 2.14 H new ATOM 0 HA ILE A 37 -4.248 -8.797 -9.553 1.00 50.01 H new ATOM 0 HB ILE A 37 -4.443 -10.311 -6.914 1.00 61.10 H new ATOM 0 HG12 ILE A 37 -6.624 -9.436 -7.348 1.00 34.32 H new ATOM 0 HG13 ILE A 37 -5.865 -8.409 -6.148 1.00 34.32 H new ATOM 0 HG21 ILE A 37 -3.450 -8.253 -5.952 1.00 62.44 H new ATOM 0 HG22 ILE A 37 -2.377 -9.005 -7.156 1.00 62.44 H new ATOM 0 HG23 ILE A 37 -3.323 -7.560 -7.586 1.00 62.44 H new ATOM 0 HD11 ILE A 37 -7.096 -7.078 -7.790 1.00 43.24 H new ATOM 0 HD12 ILE A 37 -5.353 -6.732 -7.889 1.00 43.24 H new ATOM 0 HD13 ILE A 37 -6.123 -7.776 -9.107 1.00 43.24 H new ATOM 569 N SER A 38 -2.355 -10.355 -10.295 1.00 70.20 N ATOM 570 CA SER A 38 -1.074 -11.028 -10.547 1.00 54.44 C ATOM 571 C SER A 38 0.080 -10.308 -9.836 1.00 30.00 C ATOM 572 O SER A 38 0.030 -9.092 -9.629 1.00 24.13 O ATOM 573 CB SER A 38 -0.787 -11.106 -12.055 1.00 60.33 C ATOM 574 OG SER A 38 -1.794 -11.845 -12.737 1.00 71.20 O ATOM 0 H SER A 38 -2.667 -9.744 -11.050 1.00 70.20 H new ATOM 0 HA SER A 38 -1.151 -12.039 -10.148 1.00 54.44 H new ATOM 0 HB2 SER A 38 -0.729 -10.099 -12.469 1.00 60.33 H new ATOM 0 HB3 SER A 38 0.184 -11.574 -12.219 1.00 60.33 H new ATOM 0 HG SER A 38 -1.585 -11.876 -13.694 1.00 71.20 H new ATOM 580 N LYS A 39 1.121 -11.064 -9.479 1.00 1.13 N ATOM 581 CA LYS A 39 2.294 -10.517 -8.779 1.00 63.24 C ATOM 582 C LYS A 39 2.817 -9.244 -9.465 1.00 41.20 C ATOM 583 O LYS A 39 2.904 -8.183 -8.843 1.00 62.12 O ATOM 584 CB LYS A 39 3.406 -11.579 -8.717 1.00 64.25 C ATOM 585 CG LYS A 39 4.662 -11.125 -7.979 1.00 22.05 C ATOM 586 CD LYS A 39 5.724 -12.219 -7.940 1.00 74.52 C ATOM 587 CE LYS A 39 6.960 -11.787 -7.159 1.00 62.55 C ATOM 588 NZ LYS A 39 7.986 -12.860 -7.120 1.00 61.44 N ATOM 0 H LYS A 39 1.178 -12.066 -9.664 1.00 1.13 H new ATOM 0 HA LYS A 39 1.989 -10.248 -7.767 1.00 63.24 H new ATOM 0 HB2 LYS A 39 3.014 -12.472 -8.229 1.00 64.25 H new ATOM 0 HB3 LYS A 39 3.678 -11.864 -9.733 1.00 64.25 H new ATOM 0 HG2 LYS A 39 5.070 -10.240 -8.467 1.00 22.05 H new ATOM 0 HG3 LYS A 39 4.401 -10.836 -6.961 1.00 22.05 H new ATOM 0 HD2 LYS A 39 5.304 -13.116 -7.486 1.00 74.52 H new ATOM 0 HD3 LYS A 39 6.012 -12.482 -8.958 1.00 74.52 H new ATOM 0 HE2 LYS A 39 7.385 -10.893 -7.615 1.00 62.55 H new ATOM 0 HE3 LYS A 39 6.673 -11.520 -6.142 1.00 62.55 H new ATOM 0 HZ1 LYS A 39 8.812 -12.531 -6.581 1.00 61.44 H new ATOM 0 HZ2 LYS A 39 7.588 -13.705 -6.662 1.00 61.44 H new ATOM 0 HZ3 LYS A 39 8.278 -13.097 -8.090 1.00 61.44 H new ATOM 602 N GLU A 40 3.144 -9.363 -10.752 1.00 14.32 N ATOM 603 CA GLU A 40 3.619 -8.225 -11.552 1.00 31.31 C ATOM 604 C GLU A 40 2.668 -7.015 -11.456 1.00 61.15 C ATOM 605 O GLU A 40 3.103 -5.895 -11.191 1.00 42.32 O ATOM 606 CB GLU A 40 3.780 -8.659 -13.017 1.00 72.22 C ATOM 607 CG GLU A 40 2.500 -9.213 -13.640 1.00 33.20 C ATOM 608 CD GLU A 40 2.710 -9.758 -15.041 1.00 44.01 C ATOM 609 OE1 GLU A 40 3.019 -10.961 -15.173 1.00 52.32 O ATOM 610 OE2 GLU A 40 2.566 -8.990 -16.015 1.00 32.13 O ATOM 0 H GLU A 40 3.089 -10.241 -11.269 1.00 14.32 H new ATOM 0 HA GLU A 40 4.583 -7.911 -11.151 1.00 31.31 H new ATOM 0 HB2 GLU A 40 4.119 -7.805 -13.604 1.00 72.22 H new ATOM 0 HB3 GLU A 40 4.560 -9.417 -13.078 1.00 72.22 H new ATOM 0 HG2 GLU A 40 2.106 -10.005 -13.003 1.00 33.20 H new ATOM 0 HG3 GLU A 40 1.747 -8.425 -13.672 1.00 33.20 H new ATOM 617 N ALA A 41 1.367 -7.262 -11.644 1.00 11.35 N ATOM 618 CA ALA A 41 0.358 -6.194 -11.645 1.00 12.42 C ATOM 619 C ALA A 41 0.389 -5.377 -10.346 1.00 33.44 C ATOM 620 O ALA A 41 0.374 -4.144 -10.375 1.00 3.10 O ATOM 621 CB ALA A 41 -1.031 -6.785 -11.867 1.00 20.44 C ATOM 0 H ALA A 41 0.986 -8.195 -11.798 1.00 11.35 H new ATOM 0 HA ALA A 41 0.595 -5.515 -12.464 1.00 12.42 H new ATOM 0 HB1 ALA A 41 -1.771 -5.985 -11.866 1.00 20.44 H new ATOM 0 HB2 ALA A 41 -1.057 -7.302 -12.826 1.00 20.44 H new ATOM 0 HB3 ALA A 41 -1.258 -7.491 -11.068 1.00 20.44 H new ATOM 627 N LEU A 42 0.437 -6.069 -9.209 1.00 14.33 N ATOM 628 CA LEU A 42 0.495 -5.405 -7.903 1.00 51.02 C ATOM 629 C LEU A 42 1.780 -4.566 -7.775 1.00 0.20 C ATOM 630 O LEU A 42 1.736 -3.403 -7.368 1.00 62.14 O ATOM 631 CB LEU A 42 0.405 -6.458 -6.779 1.00 21.41 C ATOM 632 CG LEU A 42 0.179 -5.921 -5.344 1.00 52.33 C ATOM 633 CD1 LEU A 42 -0.376 -7.022 -4.442 1.00 10.41 C ATOM 634 CD2 LEU A 42 1.475 -5.364 -4.746 1.00 13.33 C ATOM 0 H LEU A 42 0.437 -7.088 -9.163 1.00 14.33 H new ATOM 0 HA LEU A 42 -0.352 -4.726 -7.812 1.00 51.02 H new ATOM 0 HB2 LEU A 42 -0.408 -7.144 -7.018 1.00 21.41 H new ATOM 0 HB3 LEU A 42 1.326 -7.041 -6.784 1.00 21.41 H new ATOM 0 HG LEU A 42 -0.546 -5.109 -5.406 1.00 52.33 H new ATOM 0 HD11 LEU A 42 -0.529 -6.627 -3.438 1.00 10.41 H new ATOM 0 HD12 LEU A 42 -1.327 -7.375 -4.842 1.00 10.41 H new ATOM 0 HD13 LEU A 42 0.331 -7.851 -4.402 1.00 10.41 H new ATOM 0 HD21 LEU A 42 1.282 -4.995 -3.739 1.00 13.33 H new ATOM 0 HD22 LEU A 42 2.226 -6.153 -4.706 1.00 13.33 H new ATOM 0 HD23 LEU A 42 1.841 -4.547 -5.368 1.00 13.33 H new ATOM 646 N LEU A 43 2.914 -5.163 -8.143 1.00 2.11 N ATOM 647 CA LEU A 43 4.217 -4.489 -8.058 1.00 12.13 C ATOM 648 C LEU A 43 4.256 -3.201 -8.898 1.00 52.11 C ATOM 649 O LEU A 43 4.778 -2.178 -8.453 1.00 32.02 O ATOM 650 CB LEU A 43 5.336 -5.443 -8.504 1.00 43.43 C ATOM 651 CG LEU A 43 5.491 -6.714 -7.649 1.00 11.21 C ATOM 652 CD1 LEU A 43 6.585 -7.615 -8.217 1.00 2.01 C ATOM 653 CD2 LEU A 43 5.786 -6.355 -6.192 1.00 3.12 C ATOM 0 H LEU A 43 2.960 -6.116 -8.505 1.00 2.11 H new ATOM 0 HA LEU A 43 4.372 -4.207 -7.017 1.00 12.13 H new ATOM 0 HB2 LEU A 43 5.150 -5.739 -9.536 1.00 43.43 H new ATOM 0 HB3 LEU A 43 6.281 -4.900 -8.494 1.00 43.43 H new ATOM 0 HG LEU A 43 4.549 -7.262 -7.679 1.00 11.21 H new ATOM 0 HD11 LEU A 43 6.679 -8.508 -7.599 1.00 2.01 H new ATOM 0 HD12 LEU A 43 6.326 -7.905 -9.235 1.00 2.01 H new ATOM 0 HD13 LEU A 43 7.533 -7.077 -8.223 1.00 2.01 H new ATOM 0 HD21 LEU A 43 5.892 -7.268 -5.606 1.00 3.12 H new ATOM 0 HD22 LEU A 43 6.711 -5.781 -6.139 1.00 3.12 H new ATOM 0 HD23 LEU A 43 4.966 -5.760 -5.791 1.00 3.12 H new ATOM 665 N GLU A 44 3.702 -3.250 -10.107 1.00 31.43 N ATOM 666 CA GLU A 44 3.655 -2.067 -10.977 1.00 3.15 C ATOM 667 C GLU A 44 2.758 -0.972 -10.378 1.00 32.12 C ATOM 668 O GLU A 44 3.134 0.204 -10.327 1.00 61.32 O ATOM 669 CB GLU A 44 3.148 -2.446 -12.374 1.00 0.30 C ATOM 670 CG GLU A 44 3.951 -3.553 -13.052 1.00 61.24 C ATOM 671 CD GLU A 44 5.440 -3.251 -13.132 1.00 71.44 C ATOM 672 OE1 GLU A 44 5.846 -2.450 -13.999 1.00 61.13 O ATOM 673 OE2 GLU A 44 6.213 -3.826 -12.337 1.00 3.15 O ATOM 0 H GLU A 44 3.281 -4.088 -10.509 1.00 31.43 H new ATOM 0 HA GLU A 44 4.669 -1.676 -11.059 1.00 3.15 H new ATOM 0 HB2 GLU A 44 2.108 -2.762 -12.297 1.00 0.30 H new ATOM 0 HB3 GLU A 44 3.166 -1.559 -13.008 1.00 0.30 H new ATOM 0 HG2 GLU A 44 3.805 -4.485 -12.506 1.00 61.24 H new ATOM 0 HG3 GLU A 44 3.564 -3.709 -14.059 1.00 61.24 H new ATOM 680 N CYS A 45 1.568 -1.364 -9.922 1.00 52.44 N ATOM 681 CA CYS A 45 0.628 -0.425 -9.291 1.00 12.11 C ATOM 682 C CYS A 45 1.233 0.215 -8.032 1.00 10.10 C ATOM 683 O CYS A 45 0.987 1.382 -7.735 1.00 32.31 O ATOM 684 CB CYS A 45 -0.682 -1.135 -8.928 1.00 71.33 C ATOM 685 SG CYS A 45 -1.582 -1.805 -10.344 1.00 63.24 S ATOM 0 H CYS A 45 1.228 -2.324 -9.976 1.00 52.44 H new ATOM 0 HA CYS A 45 0.422 0.364 -10.014 1.00 12.11 H new ATOM 0 HB2 CYS A 45 -0.461 -1.947 -8.235 1.00 71.33 H new ATOM 0 HB3 CYS A 45 -1.328 -0.433 -8.401 1.00 71.33 H new ATOM 0 HG CYS A 45 -1.040 -2.928 -10.711 1.00 63.24 H new ATOM 691 N ALA A 46 2.023 -0.561 -7.292 1.00 20.42 N ATOM 692 CA ALA A 46 2.702 -0.056 -6.091 1.00 15.44 C ATOM 693 C ALA A 46 3.855 0.898 -6.448 1.00 3.30 C ATOM 694 O ALA A 46 4.068 1.912 -5.775 1.00 2.00 O ATOM 695 CB ALA A 46 3.212 -1.222 -5.255 1.00 44.34 C ATOM 0 H ALA A 46 2.211 -1.542 -7.499 1.00 20.42 H new ATOM 0 HA ALA A 46 1.978 0.514 -5.509 1.00 15.44 H new ATOM 0 HB1 ALA A 46 3.714 -0.840 -4.366 1.00 44.34 H new ATOM 0 HB2 ALA A 46 2.373 -1.850 -4.956 1.00 44.34 H new ATOM 0 HB3 ALA A 46 3.915 -1.812 -5.844 1.00 44.34 H new ATOM 701 N ASP A 47 4.591 0.572 -7.513 1.00 4.30 N ATOM 702 CA ASP A 47 5.690 1.419 -7.995 1.00 1.22 C ATOM 703 C ASP A 47 5.194 2.844 -8.300 1.00 70.22 C ATOM 704 O ASP A 47 5.940 3.819 -8.164 1.00 64.43 O ATOM 705 CB ASP A 47 6.331 0.793 -9.240 1.00 3.51 C ATOM 706 CG ASP A 47 7.555 1.559 -9.716 1.00 3.34 C ATOM 707 OD1 ASP A 47 8.647 1.349 -9.152 1.00 61.13 O ATOM 708 OD2 ASP A 47 7.431 2.374 -10.654 1.00 12.03 O ATOM 0 H ASP A 47 4.447 -0.276 -8.062 1.00 4.30 H new ATOM 0 HA ASP A 47 6.442 1.487 -7.209 1.00 1.22 H new ATOM 0 HB2 ASP A 47 6.614 -0.236 -9.020 1.00 3.51 H new ATOM 0 HB3 ASP A 47 5.595 0.756 -10.043 1.00 3.51 H new ATOM 713 N LEU A 48 3.927 2.957 -8.701 1.00 24.53 N ATOM 714 CA LEU A 48 3.290 4.263 -8.913 1.00 22.43 C ATOM 715 C LEU A 48 3.434 5.164 -7.678 1.00 11.15 C ATOM 716 O LEU A 48 3.815 6.329 -7.792 1.00 33.21 O ATOM 717 CB LEU A 48 1.803 4.088 -9.261 1.00 63.05 C ATOM 718 CG LEU A 48 1.518 3.523 -10.663 1.00 33.31 C ATOM 719 CD1 LEU A 48 0.022 3.285 -10.862 1.00 41.23 C ATOM 720 CD2 LEU A 48 2.061 4.469 -11.731 1.00 41.32 C ATOM 0 H LEU A 48 3.318 2.160 -8.887 1.00 24.53 H new ATOM 0 HA LEU A 48 3.799 4.745 -9.748 1.00 22.43 H new ATOM 0 HB2 LEU A 48 1.349 3.428 -8.522 1.00 63.05 H new ATOM 0 HB3 LEU A 48 1.309 5.055 -9.170 1.00 63.05 H new ATOM 0 HG LEU A 48 2.024 2.562 -10.757 1.00 33.31 H new ATOM 0 HD11 LEU A 48 -0.153 2.885 -11.861 1.00 41.23 H new ATOM 0 HD12 LEU A 48 -0.335 2.572 -10.118 1.00 41.23 H new ATOM 0 HD13 LEU A 48 -0.515 4.227 -10.749 1.00 41.23 H new ATOM 0 HD21 LEU A 48 1.854 4.059 -12.720 1.00 41.32 H new ATOM 0 HD22 LEU A 48 1.580 5.442 -11.634 1.00 41.32 H new ATOM 0 HD23 LEU A 48 3.138 4.582 -11.604 1.00 41.32 H new ATOM 732 N LEU A 49 3.148 4.612 -6.500 1.00 23.43 N ATOM 733 CA LEU A 49 3.266 5.367 -5.247 1.00 61.13 C ATOM 734 C LEU A 49 4.740 5.641 -4.910 1.00 73.22 C ATOM 735 O LEU A 49 5.089 6.728 -4.457 1.00 63.22 O ATOM 736 CB LEU A 49 2.587 4.622 -4.082 1.00 43.40 C ATOM 737 CG LEU A 49 1.056 4.477 -4.188 1.00 52.24 C ATOM 738 CD1 LEU A 49 0.670 3.494 -5.286 1.00 63.20 C ATOM 739 CD2 LEU A 49 0.458 4.050 -2.852 1.00 73.45 C ATOM 0 H LEU A 49 2.834 3.649 -6.384 1.00 23.43 H new ATOM 0 HA LEU A 49 2.757 6.320 -5.389 1.00 61.13 H new ATOM 0 HB2 LEU A 49 3.024 3.626 -4.007 1.00 43.40 H new ATOM 0 HB3 LEU A 49 2.821 5.144 -3.154 1.00 43.40 H new ATOM 0 HG LEU A 49 0.648 5.453 -4.451 1.00 52.24 H new ATOM 0 HD11 LEU A 49 -0.416 3.413 -5.337 1.00 63.20 H new ATOM 0 HD12 LEU A 49 1.052 3.849 -6.243 1.00 63.20 H new ATOM 0 HD13 LEU A 49 1.097 2.516 -5.065 1.00 63.20 H new ATOM 0 HD21 LEU A 49 -0.623 3.954 -2.951 1.00 73.45 H new ATOM 0 HD22 LEU A 49 0.881 3.091 -2.554 1.00 73.45 H new ATOM 0 HD23 LEU A 49 0.688 4.799 -2.094 1.00 73.45 H new ATOM 751 N SER A 50 5.597 4.649 -5.151 1.00 35.44 N ATOM 752 CA SER A 50 7.047 4.801 -4.930 1.00 41.32 C ATOM 753 C SER A 50 7.602 6.009 -5.701 1.00 74.24 C ATOM 754 O SER A 50 8.313 6.848 -5.143 1.00 23.10 O ATOM 755 CB SER A 50 7.791 3.527 -5.361 1.00 73.14 C ATOM 756 OG SER A 50 9.190 3.640 -5.143 1.00 64.23 O ATOM 0 H SER A 50 5.320 3.731 -5.499 1.00 35.44 H new ATOM 0 HA SER A 50 7.205 4.968 -3.864 1.00 41.32 H new ATOM 0 HB2 SER A 50 7.403 2.673 -4.806 1.00 73.14 H new ATOM 0 HB3 SER A 50 7.601 3.333 -6.417 1.00 73.14 H new ATOM 0 HG SER A 50 9.633 2.813 -5.426 1.00 64.23 H new ATOM 762 N SER A 51 7.260 6.101 -6.987 1.00 22.01 N ATOM 763 CA SER A 51 7.679 7.241 -7.817 1.00 13.22 C ATOM 764 C SER A 51 6.979 8.531 -7.378 1.00 41.01 C ATOM 765 O SER A 51 7.625 9.554 -7.164 1.00 43.11 O ATOM 766 CB SER A 51 7.382 6.979 -9.304 1.00 24.34 C ATOM 767 OG SER A 51 7.847 8.048 -10.119 1.00 33.00 O ATOM 0 H SER A 51 6.697 5.406 -7.478 1.00 22.01 H new ATOM 0 HA SER A 51 8.754 7.360 -7.684 1.00 13.22 H new ATOM 0 HB2 SER A 51 7.858 6.049 -9.614 1.00 24.34 H new ATOM 0 HB3 SER A 51 6.309 6.851 -9.446 1.00 24.34 H new ATOM 0 HG SER A 51 7.241 8.813 -10.032 1.00 33.00 H new ATOM 773 N ALA A 52 5.659 8.462 -7.215 1.00 15.23 N ATOM 774 CA ALA A 52 4.849 9.638 -6.864 1.00 41.30 C ATOM 775 C ALA A 52 5.285 10.282 -5.534 1.00 61.23 C ATOM 776 O ALA A 52 5.167 11.489 -5.356 1.00 21.21 O ATOM 777 CB ALA A 52 3.370 9.261 -6.820 1.00 45.44 C ATOM 0 H ALA A 52 5.121 7.602 -7.320 1.00 15.23 H new ATOM 0 HA ALA A 52 5.009 10.386 -7.641 1.00 41.30 H new ATOM 0 HB1 ALA A 52 2.778 10.139 -6.559 1.00 45.44 H new ATOM 0 HB2 ALA A 52 3.060 8.891 -7.797 1.00 45.44 H new ATOM 0 HB3 ALA A 52 3.215 8.483 -6.072 1.00 45.44 H new ATOM 783 N LEU A 53 5.788 9.474 -4.602 1.00 3.21 N ATOM 784 CA LEU A 53 6.265 9.988 -3.307 1.00 23.02 C ATOM 785 C LEU A 53 7.702 10.538 -3.397 1.00 14.34 C ATOM 786 O LEU A 53 8.151 11.280 -2.521 1.00 11.45 O ATOM 787 CB LEU A 53 6.179 8.888 -2.238 1.00 11.10 C ATOM 788 CG LEU A 53 4.748 8.459 -1.861 1.00 52.22 C ATOM 789 CD1 LEU A 53 4.769 7.268 -0.910 1.00 34.31 C ATOM 790 CD2 LEU A 53 3.980 9.628 -1.244 1.00 0.13 C ATOM 0 H LEU A 53 5.878 8.464 -4.713 1.00 3.21 H new ATOM 0 HA LEU A 53 5.618 10.818 -3.024 1.00 23.02 H new ATOM 0 HB2 LEU A 53 6.723 8.013 -2.594 1.00 11.10 H new ATOM 0 HB3 LEU A 53 6.687 9.235 -1.339 1.00 11.10 H new ATOM 0 HG LEU A 53 4.235 8.154 -2.773 1.00 52.22 H new ATOM 0 HD11 LEU A 53 3.747 6.985 -0.659 1.00 34.31 H new ATOM 0 HD12 LEU A 53 5.271 6.428 -1.390 1.00 34.31 H new ATOM 0 HD13 LEU A 53 5.304 7.539 0.000 1.00 34.31 H new ATOM 0 HD21 LEU A 53 2.972 9.305 -0.985 1.00 0.13 H new ATOM 0 HD22 LEU A 53 4.495 9.968 -0.345 1.00 0.13 H new ATOM 0 HD23 LEU A 53 3.925 10.447 -1.962 1.00 0.13 H new ATOM 802 N THR A 54 8.416 10.179 -4.462 1.00 13.41 N ATOM 803 CA THR A 54 9.777 10.690 -4.695 1.00 21.31 C ATOM 804 C THR A 54 9.770 11.869 -5.682 1.00 50.21 C ATOM 805 O THR A 54 10.817 12.293 -6.173 1.00 62.11 O ATOM 806 CB THR A 54 10.723 9.587 -5.232 1.00 45.42 C ATOM 807 OG1 THR A 54 10.187 9.008 -6.432 1.00 75.13 O ATOM 808 CG2 THR A 54 10.939 8.493 -4.192 1.00 3.34 C ATOM 0 H THR A 54 8.080 9.537 -5.180 1.00 13.41 H new ATOM 0 HA THR A 54 10.148 11.030 -3.728 1.00 21.31 H new ATOM 0 HB THR A 54 11.683 10.053 -5.452 1.00 45.42 H new ATOM 0 HG1 THR A 54 9.315 9.410 -6.628 1.00 75.13 H new ATOM 0 HG21 THR A 54 11.607 7.733 -4.597 1.00 3.34 H new ATOM 0 HG22 THR A 54 11.383 8.926 -3.295 1.00 3.34 H new ATOM 0 HG23 THR A 54 9.982 8.037 -3.939 1.00 3.34 H new ATOM 816 N GLU A 55 8.579 12.395 -5.957 1.00 64.04 N ATOM 817 CA GLU A 55 8.405 13.561 -6.833 1.00 34.44 C ATOM 818 C GLU A 55 7.211 14.408 -6.354 1.00 51.15 C ATOM 819 O GLU A 55 6.328 13.899 -5.667 1.00 72.21 O ATOM 820 CB GLU A 55 8.166 13.103 -8.283 1.00 11.42 C ATOM 821 CG GLU A 55 6.861 12.331 -8.475 1.00 75.51 C ATOM 822 CD GLU A 55 6.592 11.956 -9.925 1.00 64.21 C ATOM 823 OE1 GLU A 55 6.383 12.875 -10.749 1.00 22.02 O ATOM 824 OE2 GLU A 55 6.559 10.746 -10.244 1.00 73.44 O ATOM 0 H GLU A 55 7.705 12.028 -5.581 1.00 64.04 H new ATOM 0 HA GLU A 55 9.311 14.165 -6.794 1.00 34.44 H new ATOM 0 HB2 GLU A 55 8.160 13.977 -8.935 1.00 11.42 H new ATOM 0 HB3 GLU A 55 8.999 12.475 -8.599 1.00 11.42 H new ATOM 0 HG2 GLU A 55 6.891 11.424 -7.872 1.00 75.51 H new ATOM 0 HG3 GLU A 55 6.032 12.933 -8.103 1.00 75.51 H new ATOM 831 N PRO A 56 7.163 15.716 -6.676 1.00 2.14 N ATOM 832 CA PRO A 56 5.997 16.548 -6.334 1.00 3.13 C ATOM 833 C PRO A 56 4.744 16.143 -7.133 1.00 21.02 C ATOM 834 O PRO A 56 4.738 16.180 -8.366 1.00 72.34 O ATOM 835 CB PRO A 56 6.448 17.977 -6.714 1.00 23.21 C ATOM 836 CG PRO A 56 7.933 17.894 -6.892 1.00 53.22 C ATOM 837 CD PRO A 56 8.220 16.490 -7.343 1.00 41.51 C ATOM 0 HA PRO A 56 5.713 16.447 -5.286 1.00 3.13 H new ATOM 0 HB2 PRO A 56 5.961 18.312 -7.630 1.00 23.21 H new ATOM 0 HB3 PRO A 56 6.186 18.692 -5.934 1.00 23.21 H new ATOM 0 HG2 PRO A 56 8.278 18.619 -7.629 1.00 53.22 H new ATOM 0 HG3 PRO A 56 8.451 18.117 -5.959 1.00 53.22 H new ATOM 0 HD2 PRO A 56 8.169 16.394 -8.428 1.00 41.51 H new ATOM 0 HD3 PRO A 56 9.215 16.162 -7.040 1.00 41.51 H new ATOM 845 N VAL A 57 3.679 15.776 -6.424 1.00 31.14 N ATOM 846 CA VAL A 57 2.410 15.374 -7.047 1.00 63.11 C ATOM 847 C VAL A 57 1.210 15.878 -6.229 1.00 51.13 C ATOM 848 O VAL A 57 1.349 16.183 -5.042 1.00 12.13 O ATOM 849 CB VAL A 57 2.311 13.830 -7.188 1.00 44.02 C ATOM 850 CG1 VAL A 57 3.338 13.297 -8.187 1.00 63.10 C ATOM 851 CG2 VAL A 57 2.483 13.159 -5.832 1.00 75.03 C ATOM 0 H VAL A 57 3.666 15.747 -5.404 1.00 31.14 H new ATOM 0 HA VAL A 57 2.388 15.824 -8.039 1.00 63.11 H new ATOM 0 HB VAL A 57 1.319 13.591 -7.571 1.00 44.02 H new ATOM 0 HG11 VAL A 57 3.243 12.214 -8.263 1.00 63.10 H new ATOM 0 HG12 VAL A 57 3.162 13.746 -9.164 1.00 63.10 H new ATOM 0 HG13 VAL A 57 4.342 13.550 -7.847 1.00 63.10 H new ATOM 0 HG21 VAL A 57 2.411 12.078 -5.949 1.00 75.03 H new ATOM 0 HG22 VAL A 57 3.459 13.415 -5.421 1.00 75.03 H new ATOM 0 HG23 VAL A 57 1.702 13.503 -5.154 1.00 75.03 H new ATOM 861 N PRO A 58 0.017 15.986 -6.847 1.00 72.05 N ATOM 862 CA PRO A 58 -1.207 16.369 -6.125 1.00 71.21 C ATOM 863 C PRO A 58 -1.595 15.347 -5.035 1.00 33.11 C ATOM 864 O PRO A 58 -1.573 14.131 -5.262 1.00 63.44 O ATOM 865 CB PRO A 58 -2.280 16.433 -7.227 1.00 4.00 C ATOM 866 CG PRO A 58 -1.729 15.629 -8.358 1.00 60.21 C ATOM 867 CD PRO A 58 -0.231 15.772 -8.286 1.00 32.33 C ATOM 0 HA PRO A 58 -1.082 17.311 -5.590 1.00 71.21 H new ATOM 0 HB2 PRO A 58 -3.228 16.023 -6.878 1.00 4.00 H new ATOM 0 HB3 PRO A 58 -2.471 17.462 -7.532 1.00 4.00 H new ATOM 0 HG2 PRO A 58 -2.025 14.583 -8.272 1.00 60.21 H new ATOM 0 HG3 PRO A 58 -2.109 15.990 -9.314 1.00 60.21 H new ATOM 0 HD2 PRO A 58 0.277 14.881 -8.654 1.00 32.33 H new ATOM 0 HD3 PRO A 58 0.123 16.611 -8.885 1.00 32.33 H new ATOM 875 N ASN A 59 -1.966 15.854 -3.859 1.00 45.12 N ATOM 876 CA ASN A 59 -2.299 15.005 -2.707 1.00 12.34 C ATOM 877 C ASN A 59 -3.464 14.054 -3.042 1.00 53.31 C ATOM 878 O ASN A 59 -3.512 12.917 -2.562 1.00 54.13 O ATOM 879 CB ASN A 59 -2.653 15.894 -1.505 1.00 23.41 C ATOM 880 CG ASN A 59 -2.314 15.274 -0.159 1.00 13.42 C ATOM 881 OD1 ASN A 59 -1.955 15.977 0.774 1.00 52.32 O ATOM 882 ND2 ASN A 59 -2.436 13.968 -0.029 1.00 5.02 N ATOM 0 H ASN A 59 -2.045 16.854 -3.675 1.00 45.12 H new ATOM 0 HA ASN A 59 -1.434 14.391 -2.457 1.00 12.34 H new ATOM 0 HB2 ASN A 59 -2.126 16.843 -1.600 1.00 23.41 H new ATOM 0 HB3 ASN A 59 -3.719 16.118 -1.533 1.00 23.41 H new ATOM 0 HD21 ASN A 59 -2.229 13.523 0.865 1.00 5.02 H new ATOM 0 HD22 ASN A 59 -2.737 13.402 -0.823 1.00 5.02 H new ATOM 889 N SER A 60 -4.394 14.535 -3.865 1.00 43.10 N ATOM 890 CA SER A 60 -5.510 13.716 -4.364 1.00 63.03 C ATOM 891 C SER A 60 -5.003 12.465 -5.090 1.00 50.31 C ATOM 892 O SER A 60 -5.482 11.356 -4.849 1.00 34.23 O ATOM 893 CB SER A 60 -6.379 14.535 -5.326 1.00 5.33 C ATOM 894 OG SER A 60 -5.627 14.973 -6.451 1.00 4.20 O ATOM 0 H SER A 60 -4.401 15.496 -4.206 1.00 43.10 H new ATOM 0 HA SER A 60 -6.101 13.406 -3.502 1.00 63.03 H new ATOM 0 HB2 SER A 60 -7.223 13.932 -5.661 1.00 5.33 H new ATOM 0 HB3 SER A 60 -6.792 15.398 -4.803 1.00 5.33 H new ATOM 0 HG SER A 60 -6.205 15.491 -7.049 1.00 4.20 H new ATOM 900 N GLN A 61 -4.023 12.657 -5.975 1.00 42.11 N ATOM 901 CA GLN A 61 -3.412 11.551 -6.722 1.00 34.33 C ATOM 902 C GLN A 61 -2.886 10.470 -5.771 1.00 3.30 C ATOM 903 O GLN A 61 -3.163 9.284 -5.949 1.00 22.44 O ATOM 904 CB GLN A 61 -2.260 12.074 -7.594 1.00 62.44 C ATOM 905 CG GLN A 61 -1.523 10.988 -8.377 1.00 1.50 C ATOM 906 CD GLN A 61 -0.351 11.534 -9.180 1.00 10.43 C ATOM 907 OE1 GLN A 61 -0.360 12.679 -9.617 1.00 44.24 O ATOM 908 NE2 GLN A 61 0.669 10.721 -9.378 1.00 2.33 N ATOM 0 H GLN A 61 -3.632 13.573 -6.194 1.00 42.11 H new ATOM 0 HA GLN A 61 -4.179 11.110 -7.359 1.00 34.33 H new ATOM 0 HB2 GLN A 61 -2.655 12.808 -8.297 1.00 62.44 H new ATOM 0 HB3 GLN A 61 -1.545 12.595 -6.957 1.00 62.44 H new ATOM 0 HG2 GLN A 61 -1.161 10.229 -7.684 1.00 1.50 H new ATOM 0 HG3 GLN A 61 -2.222 10.495 -9.052 1.00 1.50 H new ATOM 0 HE21 GLN A 61 0.646 9.773 -9.001 1.00 2.33 H new ATOM 0 HE22 GLN A 61 1.480 11.040 -9.908 1.00 2.33 H new ATOM 917 N LEU A 62 -2.128 10.892 -4.758 1.00 62.41 N ATOM 918 CA LEU A 62 -1.569 9.966 -3.763 1.00 30.31 C ATOM 919 C LEU A 62 -2.660 9.104 -3.099 1.00 60.21 C ATOM 920 O LEU A 62 -2.549 7.877 -3.044 1.00 34.52 O ATOM 921 CB LEU A 62 -0.796 10.755 -2.696 1.00 42.23 C ATOM 922 CG LEU A 62 0.464 11.473 -3.204 1.00 43.23 C ATOM 923 CD1 LEU A 62 1.087 12.328 -2.102 1.00 21.13 C ATOM 924 CD2 LEU A 62 1.475 10.462 -3.744 1.00 64.52 C ATOM 0 H LEU A 62 -1.885 11.870 -4.602 1.00 62.41 H new ATOM 0 HA LEU A 62 -0.891 9.289 -4.283 1.00 30.31 H new ATOM 0 HB2 LEU A 62 -1.465 11.495 -2.257 1.00 42.23 H new ATOM 0 HB3 LEU A 62 -0.509 10.071 -1.897 1.00 42.23 H new ATOM 0 HG LEU A 62 0.173 12.136 -4.019 1.00 43.23 H new ATOM 0 HD11 LEU A 62 1.977 12.826 -2.487 1.00 21.13 H new ATOM 0 HD12 LEU A 62 0.367 13.077 -1.772 1.00 21.13 H new ATOM 0 HD13 LEU A 62 1.362 11.693 -1.260 1.00 21.13 H new ATOM 0 HD21 LEU A 62 2.361 10.988 -4.100 1.00 64.52 H new ATOM 0 HD22 LEU A 62 1.758 9.771 -2.950 1.00 64.52 H new ATOM 0 HD23 LEU A 62 1.028 9.905 -4.568 1.00 64.52 H new ATOM 936 N VAL A 63 -3.718 9.751 -2.613 1.00 44.14 N ATOM 937 CA VAL A 63 -4.809 9.046 -1.929 1.00 5.23 C ATOM 938 C VAL A 63 -5.569 8.103 -2.882 1.00 22.13 C ATOM 939 O VAL A 63 -5.797 6.934 -2.565 1.00 34.34 O ATOM 940 CB VAL A 63 -5.810 10.044 -1.288 1.00 71.43 C ATOM 941 CG1 VAL A 63 -6.931 9.302 -0.559 1.00 33.55 C ATOM 942 CG2 VAL A 63 -5.089 10.999 -0.338 1.00 14.45 C ATOM 0 H VAL A 63 -3.846 10.761 -2.678 1.00 44.14 H new ATOM 0 HA VAL A 63 -4.347 8.448 -1.144 1.00 5.23 H new ATOM 0 HB VAL A 63 -6.258 10.632 -2.089 1.00 71.43 H new ATOM 0 HG11 VAL A 63 -7.619 10.024 -0.119 1.00 33.55 H new ATOM 0 HG12 VAL A 63 -7.470 8.672 -1.266 1.00 33.55 H new ATOM 0 HG13 VAL A 63 -6.504 8.681 0.228 1.00 33.55 H new ATOM 0 HG21 VAL A 63 -5.810 11.690 0.100 1.00 14.45 H new ATOM 0 HG22 VAL A 63 -4.606 10.428 0.455 1.00 14.45 H new ATOM 0 HG23 VAL A 63 -4.336 11.562 -0.890 1.00 14.45 H new ATOM 952 N ASP A 64 -5.945 8.612 -4.054 1.00 23.51 N ATOM 953 CA ASP A 64 -6.747 7.841 -5.012 1.00 44.32 C ATOM 954 C ASP A 64 -5.958 6.654 -5.598 1.00 63.45 C ATOM 955 O ASP A 64 -6.497 5.557 -5.761 1.00 74.34 O ATOM 956 CB ASP A 64 -7.254 8.758 -6.129 1.00 40.13 C ATOM 957 CG ASP A 64 -8.349 8.107 -6.955 1.00 52.13 C ATOM 958 OD1 ASP A 64 -9.461 7.914 -6.420 1.00 35.02 O ATOM 959 OD2 ASP A 64 -8.113 7.798 -8.142 1.00 22.54 O ATOM 0 H ASP A 64 -5.709 9.554 -4.366 1.00 23.51 H new ATOM 0 HA ASP A 64 -7.600 7.426 -4.476 1.00 44.32 H new ATOM 0 HB2 ASP A 64 -7.632 9.683 -5.694 1.00 40.13 H new ATOM 0 HB3 ASP A 64 -6.423 9.028 -6.780 1.00 40.13 H new ATOM 964 N THR A 65 -4.677 6.870 -5.902 1.00 14.43 N ATOM 965 CA THR A 65 -3.813 5.791 -6.410 1.00 61.11 C ATOM 966 C THR A 65 -3.642 4.692 -5.352 1.00 64.44 C ATOM 967 O THR A 65 -3.732 3.502 -5.650 1.00 71.31 O ATOM 968 CB THR A 65 -2.414 6.308 -6.839 1.00 15.43 C ATOM 969 OG1 THR A 65 -2.548 7.344 -7.823 1.00 14.41 O ATOM 970 CG2 THR A 65 -1.554 5.182 -7.411 1.00 53.03 C ATOM 0 H THR A 65 -4.213 7.773 -5.808 1.00 14.43 H new ATOM 0 HA THR A 65 -4.309 5.384 -7.291 1.00 61.11 H new ATOM 0 HB THR A 65 -1.924 6.703 -5.949 1.00 15.43 H new ATOM 0 HG1 THR A 65 -2.781 8.187 -7.381 1.00 14.41 H new ATOM 0 HG21 THR A 65 -0.581 5.579 -7.701 1.00 53.03 H new ATOM 0 HG22 THR A 65 -1.419 4.408 -6.656 1.00 53.03 H new ATOM 0 HG23 THR A 65 -2.047 4.755 -8.284 1.00 53.03 H new ATOM 978 N GLY A 66 -3.408 5.101 -4.106 1.00 34.44 N ATOM 979 CA GLY A 66 -3.342 4.145 -3.004 1.00 14.51 C ATOM 980 C GLY A 66 -4.683 3.461 -2.737 1.00 74.50 C ATOM 981 O GLY A 66 -4.734 2.339 -2.231 1.00 13.13 O ATOM 0 H GLY A 66 -3.263 6.074 -3.837 1.00 34.44 H new ATOM 0 HA2 GLY A 66 -2.591 3.388 -3.229 1.00 14.51 H new ATOM 0 HA3 GLY A 66 -3.015 4.660 -2.101 1.00 14.51 H new ATOM 985 N HIS A 67 -5.770 4.138 -3.099 1.00 4.14 N ATOM 986 CA HIS A 67 -7.125 3.616 -2.898 1.00 30.21 C ATOM 987 C HIS A 67 -7.366 2.323 -3.705 1.00 51.42 C ATOM 988 O HIS A 67 -8.081 1.428 -3.252 1.00 23.54 O ATOM 989 CB HIS A 67 -8.159 4.684 -3.282 1.00 44.02 C ATOM 990 CG HIS A 67 -9.566 4.329 -2.911 1.00 33.10 C ATOM 991 ND1 HIS A 67 -10.498 3.889 -3.825 1.00 72.21 N ATOM 992 CD2 HIS A 67 -10.205 4.365 -1.718 1.00 21.23 C ATOM 993 CE1 HIS A 67 -11.644 3.670 -3.215 1.00 53.14 C ATOM 994 NE2 HIS A 67 -11.496 3.951 -1.937 1.00 42.21 N ATOM 0 H HIS A 67 -5.740 5.058 -3.537 1.00 4.14 H new ATOM 0 HA HIS A 67 -7.235 3.368 -1.842 1.00 30.21 H new ATOM 0 HB2 HIS A 67 -7.892 5.624 -2.799 1.00 44.02 H new ATOM 0 HB3 HIS A 67 -8.109 4.854 -4.358 1.00 44.02 H new ATOM 0 HD2 HIS A 67 -9.779 4.663 -0.771 1.00 21.23 H new ATOM 0 HE1 HIS A 67 -12.552 3.319 -3.683 1.00 53.14 H new ATOM 0 HE2 HIS A 67 -12.222 3.874 -1.225 1.00 42.21 H new ATOM 1003 N GLN A 68 -6.782 2.225 -4.905 1.00 53.33 N ATOM 1004 CA GLN A 68 -6.905 1.001 -5.713 1.00 5.14 C ATOM 1005 C GLN A 68 -5.941 -0.090 -5.213 1.00 2.32 C ATOM 1006 O GLN A 68 -6.206 -1.284 -5.367 1.00 2.22 O ATOM 1007 CB GLN A 68 -6.667 1.285 -7.208 1.00 43.44 C ATOM 1008 CG GLN A 68 -5.253 1.742 -7.553 1.00 64.14 C ATOM 1009 CD GLN A 68 -5.030 1.932 -9.046 1.00 51.44 C ATOM 1010 OE1 GLN A 68 -4.248 2.778 -9.468 1.00 43.23 O ATOM 1011 NE2 GLN A 68 -5.704 1.144 -9.861 1.00 41.20 N ATOM 0 H GLN A 68 -6.227 2.965 -5.335 1.00 53.33 H new ATOM 0 HA GLN A 68 -7.926 0.638 -5.599 1.00 5.14 H new ATOM 0 HB2 GLN A 68 -6.891 0.382 -7.776 1.00 43.44 H new ATOM 0 HB3 GLN A 68 -7.371 2.050 -7.535 1.00 43.44 H new ATOM 0 HG2 GLN A 68 -5.047 2.681 -7.039 1.00 64.14 H new ATOM 0 HG3 GLN A 68 -4.540 1.009 -7.176 1.00 64.14 H new ATOM 0 HE21 GLN A 68 -6.348 0.449 -9.482 1.00 41.20 H new ATOM 0 HE22 GLN A 68 -5.582 1.229 -10.870 1.00 41.20 H new ATOM 1020 N LEU A 69 -4.826 0.325 -4.604 1.00 42.40 N ATOM 1021 CA LEU A 69 -3.887 -0.621 -3.981 1.00 4.05 C ATOM 1022 C LEU A 69 -4.592 -1.486 -2.924 1.00 1.03 C ATOM 1023 O LEU A 69 -4.287 -2.666 -2.776 1.00 35.22 O ATOM 1024 CB LEU A 69 -2.690 0.125 -3.357 1.00 1.23 C ATOM 1025 CG LEU A 69 -1.428 0.211 -4.238 1.00 43.34 C ATOM 1026 CD1 LEU A 69 -0.849 -1.182 -4.490 1.00 64.12 C ATOM 1027 CD2 LEU A 69 -1.727 0.911 -5.561 1.00 51.31 C ATOM 0 H LEU A 69 -4.550 1.304 -4.528 1.00 42.40 H new ATOM 0 HA LEU A 69 -3.512 -1.281 -4.763 1.00 4.05 H new ATOM 0 HB2 LEU A 69 -3.006 1.138 -3.106 1.00 1.23 H new ATOM 0 HB3 LEU A 69 -2.426 -0.367 -2.421 1.00 1.23 H new ATOM 0 HG LEU A 69 -0.687 0.803 -3.702 1.00 43.34 H new ATOM 0 HD11 LEU A 69 0.041 -1.099 -5.114 1.00 64.12 H new ATOM 0 HD12 LEU A 69 -0.584 -1.643 -3.539 1.00 64.12 H new ATOM 0 HD13 LEU A 69 -1.591 -1.798 -4.997 1.00 64.12 H new ATOM 0 HD21 LEU A 69 -0.819 0.957 -6.162 1.00 51.31 H new ATOM 0 HD22 LEU A 69 -2.492 0.354 -6.102 1.00 51.31 H new ATOM 0 HD23 LEU A 69 -2.084 1.922 -5.365 1.00 51.31 H new ATOM 1039 N LEU A 70 -5.542 -0.891 -2.204 1.00 41.01 N ATOM 1040 CA LEU A 70 -6.361 -1.627 -1.229 1.00 75.31 C ATOM 1041 C LEU A 70 -7.095 -2.816 -1.883 1.00 53.34 C ATOM 1042 O LEU A 70 -7.236 -3.878 -1.271 1.00 12.32 O ATOM 1043 CB LEU A 70 -7.366 -0.679 -0.545 1.00 12.50 C ATOM 1044 CG LEU A 70 -6.863 0.012 0.739 1.00 50.43 C ATOM 1045 CD1 LEU A 70 -6.664 -1.009 1.856 1.00 34.20 C ATOM 1046 CD2 LEU A 70 -5.569 0.781 0.481 1.00 63.33 C ATOM 0 H LEU A 70 -5.768 0.101 -2.275 1.00 41.01 H new ATOM 0 HA LEU A 70 -5.689 -2.033 -0.472 1.00 75.31 H new ATOM 0 HB2 LEU A 70 -7.657 0.090 -1.260 1.00 12.50 H new ATOM 0 HB3 LEU A 70 -8.265 -1.245 -0.303 1.00 12.50 H new ATOM 0 HG LEU A 70 -7.623 0.727 1.053 1.00 50.43 H new ATOM 0 HD11 LEU A 70 -6.309 -0.502 2.753 1.00 34.20 H new ATOM 0 HD12 LEU A 70 -7.611 -1.504 2.070 1.00 34.20 H new ATOM 0 HD13 LEU A 70 -5.929 -1.751 1.544 1.00 34.20 H new ATOM 0 HD21 LEU A 70 -5.239 1.257 1.404 1.00 63.33 H new ATOM 0 HD22 LEU A 70 -4.800 0.092 0.133 1.00 63.33 H new ATOM 0 HD23 LEU A 70 -5.744 1.543 -0.278 1.00 63.33 H new ATOM 1058 N ASP A 71 -7.545 -2.642 -3.124 1.00 13.22 N ATOM 1059 CA ASP A 71 -8.187 -3.736 -3.867 1.00 61.24 C ATOM 1060 C ASP A 71 -7.174 -4.856 -4.155 1.00 42.54 C ATOM 1061 O ASP A 71 -7.377 -6.009 -3.767 1.00 43.32 O ATOM 1062 CB ASP A 71 -8.787 -3.211 -5.177 1.00 14.21 C ATOM 1063 CG ASP A 71 -9.390 -4.320 -6.029 1.00 74.04 C ATOM 1064 OD1 ASP A 71 -10.478 -4.825 -5.675 1.00 51.31 O ATOM 1065 OD2 ASP A 71 -8.784 -4.683 -7.060 1.00 51.12 O ATOM 0 H ASP A 71 -7.480 -1.763 -3.637 1.00 13.22 H new ATOM 0 HA ASP A 71 -8.991 -4.145 -3.255 1.00 61.24 H new ATOM 0 HB2 ASP A 71 -9.556 -2.473 -4.950 1.00 14.21 H new ATOM 0 HB3 ASP A 71 -8.012 -2.699 -5.748 1.00 14.21 H new ATOM 1070 N TYR A 72 -6.073 -4.495 -4.811 1.00 2.24 N ATOM 1071 CA TYR A 72 -5.003 -5.449 -5.134 1.00 70.32 C ATOM 1072 C TYR A 72 -4.437 -6.128 -3.876 1.00 21.13 C ATOM 1073 O TYR A 72 -4.059 -7.300 -3.910 1.00 31.13 O ATOM 1074 CB TYR A 72 -3.882 -4.742 -5.917 1.00 11.43 C ATOM 1075 CG TYR A 72 -4.265 -4.432 -7.356 1.00 72.53 C ATOM 1076 CD1 TYR A 72 -5.282 -3.527 -7.650 1.00 43.31 C ATOM 1077 CD2 TYR A 72 -3.624 -5.063 -8.420 1.00 63.00 C ATOM 1078 CE1 TYR A 72 -5.653 -3.267 -8.956 1.00 33.40 C ATOM 1079 CE2 TYR A 72 -3.986 -4.801 -9.730 1.00 21.55 C ATOM 1080 CZ TYR A 72 -5.001 -3.905 -9.992 1.00 63.42 C ATOM 1081 OH TYR A 72 -5.375 -3.654 -11.292 1.00 25.31 O ATOM 0 H TYR A 72 -5.894 -3.544 -5.133 1.00 2.24 H new ATOM 0 HA TYR A 72 -5.436 -6.233 -5.756 1.00 70.32 H new ATOM 0 HB2 TYR A 72 -3.621 -3.814 -5.408 1.00 11.43 H new ATOM 0 HB3 TYR A 72 -2.991 -5.370 -5.911 1.00 11.43 H new ATOM 0 HD1 TYR A 72 -5.790 -3.019 -6.843 1.00 43.31 H new ATOM 0 HD2 TYR A 72 -2.831 -5.768 -8.219 1.00 63.00 H new ATOM 0 HE1 TYR A 72 -6.449 -2.568 -9.165 1.00 33.40 H new ATOM 0 HE2 TYR A 72 -3.476 -5.296 -10.543 1.00 21.55 H new ATOM 0 HH TYR A 72 -4.686 -3.991 -11.902 1.00 25.31 H new ATOM 1091 N CYS A 73 -4.399 -5.395 -2.770 1.00 63.41 N ATOM 1092 CA CYS A 73 -3.916 -5.939 -1.495 1.00 73.24 C ATOM 1093 C CYS A 73 -4.928 -6.918 -0.882 1.00 13.52 C ATOM 1094 O CYS A 73 -4.580 -8.046 -0.529 1.00 53.31 O ATOM 1095 CB CYS A 73 -3.628 -4.808 -0.502 1.00 32.24 C ATOM 1096 SG CYS A 73 -2.277 -3.712 -0.993 1.00 43.51 S ATOM 0 H CYS A 73 -4.696 -4.420 -2.725 1.00 63.41 H new ATOM 0 HA CYS A 73 -2.994 -6.482 -1.701 1.00 73.24 H new ATOM 0 HB2 CYS A 73 -4.533 -4.214 -0.373 1.00 32.24 H new ATOM 0 HB3 CYS A 73 -3.392 -5.244 0.469 1.00 32.24 H new ATOM 0 HG CYS A 73 -2.685 -2.916 -1.937 1.00 43.51 H new ATOM 1102 N SER A 74 -6.183 -6.485 -0.768 1.00 73.24 N ATOM 1103 CA SER A 74 -7.246 -7.327 -0.193 1.00 3.01 C ATOM 1104 C SER A 74 -7.440 -8.609 -1.013 1.00 53.54 C ATOM 1105 O SER A 74 -7.756 -9.669 -0.470 1.00 43.32 O ATOM 1106 CB SER A 74 -8.575 -6.560 -0.121 1.00 11.43 C ATOM 1107 OG SER A 74 -9.048 -6.214 -1.416 1.00 64.25 O ATOM 0 H SER A 74 -6.494 -5.560 -1.064 1.00 73.24 H new ATOM 0 HA SER A 74 -6.936 -7.597 0.816 1.00 3.01 H new ATOM 0 HB2 SER A 74 -9.321 -7.170 0.389 1.00 11.43 H new ATOM 0 HB3 SER A 74 -8.443 -5.656 0.473 1.00 11.43 H new ATOM 0 HG SER A 74 -8.296 -6.192 -2.044 1.00 64.25 H new ATOM 1113 N GLY A 75 -7.246 -8.496 -2.324 1.00 2.32 N ATOM 1114 CA GLY A 75 -7.351 -9.648 -3.206 1.00 23.22 C ATOM 1115 C GLY A 75 -6.148 -10.584 -3.117 1.00 30.43 C ATOM 1116 O GLY A 75 -6.302 -11.784 -2.889 1.00 51.31 O ATOM 0 H GLY A 75 -7.016 -7.621 -2.795 1.00 2.32 H new ATOM 0 HA2 GLY A 75 -8.255 -10.205 -2.960 1.00 23.22 H new ATOM 0 HA3 GLY A 75 -7.459 -9.302 -4.234 1.00 23.22 H new ATOM 1120 N TYR A 76 -4.944 -10.038 -3.286 1.00 21.50 N ATOM 1121 CA TYR A 76 -3.721 -10.853 -3.297 1.00 54.10 C ATOM 1122 C TYR A 76 -3.524 -11.622 -1.976 1.00 53.12 C ATOM 1123 O TYR A 76 -3.104 -12.780 -1.984 1.00 21.30 O ATOM 1124 CB TYR A 76 -2.492 -9.980 -3.582 1.00 61.13 C ATOM 1125 CG TYR A 76 -1.217 -10.777 -3.808 1.00 50.34 C ATOM 1126 CD1 TYR A 76 -0.957 -11.366 -5.040 1.00 53.43 C ATOM 1127 CD2 TYR A 76 -0.281 -10.945 -2.792 1.00 1.42 C ATOM 1128 CE1 TYR A 76 0.197 -12.099 -5.253 1.00 72.04 C ATOM 1129 CE2 TYR A 76 0.874 -11.677 -2.997 1.00 12.04 C ATOM 1130 CZ TYR A 76 1.109 -12.251 -4.229 1.00 0.14 C ATOM 1131 OH TYR A 76 2.257 -12.989 -4.433 1.00 61.23 O ATOM 0 H TYR A 76 -4.785 -9.039 -3.417 1.00 21.50 H new ATOM 0 HA TYR A 76 -3.835 -11.587 -4.095 1.00 54.10 H new ATOM 0 HB2 TYR A 76 -2.688 -9.368 -4.462 1.00 61.13 H new ATOM 0 HB3 TYR A 76 -2.340 -9.297 -2.746 1.00 61.13 H new ATOM 0 HD1 TYR A 76 -1.668 -11.249 -5.845 1.00 53.43 H new ATOM 0 HD2 TYR A 76 -0.460 -10.496 -1.826 1.00 1.42 H new ATOM 0 HE1 TYR A 76 0.383 -12.550 -6.216 1.00 72.04 H new ATOM 0 HE2 TYR A 76 1.589 -11.799 -2.196 1.00 12.04 H new ATOM 0 HH TYR A 76 2.792 -12.996 -3.612 1.00 61.23 H new ATOM 1141 N VAL A 77 -3.834 -10.981 -0.847 1.00 33.22 N ATOM 1142 CA VAL A 77 -3.672 -11.616 0.469 1.00 61.30 C ATOM 1143 C VAL A 77 -4.533 -12.888 0.599 1.00 54.02 C ATOM 1144 O VAL A 77 -4.145 -13.852 1.261 1.00 31.01 O ATOM 1145 CB VAL A 77 -4.008 -10.634 1.622 1.00 51.55 C ATOM 1146 CG1 VAL A 77 -5.500 -10.323 1.675 1.00 44.22 C ATOM 1147 CG2 VAL A 77 -3.518 -11.178 2.960 1.00 70.05 C ATOM 0 H VAL A 77 -4.197 -10.028 -0.814 1.00 33.22 H new ATOM 0 HA VAL A 77 -2.623 -11.900 0.549 1.00 61.30 H new ATOM 0 HB VAL A 77 -3.484 -9.699 1.421 1.00 51.55 H new ATOM 0 HG11 VAL A 77 -5.699 -9.632 2.494 1.00 44.22 H new ATOM 0 HG12 VAL A 77 -5.811 -9.869 0.734 1.00 44.22 H new ATOM 0 HG13 VAL A 77 -6.058 -11.245 1.834 1.00 44.22 H new ATOM 0 HG21 VAL A 77 -3.765 -10.472 3.752 1.00 70.05 H new ATOM 0 HG22 VAL A 77 -4.000 -12.134 3.163 1.00 70.05 H new ATOM 0 HG23 VAL A 77 -2.438 -11.317 2.922 1.00 70.05 H new ATOM 1157 N ASP A 78 -5.692 -12.889 -0.056 1.00 22.10 N ATOM 1158 CA ASP A 78 -6.594 -14.045 -0.047 1.00 12.42 C ATOM 1159 C ASP A 78 -5.993 -15.220 -0.847 1.00 63.43 C ATOM 1160 O ASP A 78 -6.397 -16.376 -0.688 1.00 54.11 O ATOM 1161 CB ASP A 78 -7.955 -13.628 -0.624 1.00 13.34 C ATOM 1162 CG ASP A 78 -9.022 -14.702 -0.479 1.00 61.04 C ATOM 1163 OD1 ASP A 78 -9.409 -15.009 0.671 1.00 10.41 O ATOM 1164 OD2 ASP A 78 -9.489 -15.232 -1.507 1.00 55.21 O ATOM 0 H ASP A 78 -6.032 -12.099 -0.603 1.00 22.10 H new ATOM 0 HA ASP A 78 -6.729 -14.385 0.980 1.00 12.42 H new ATOM 0 HB2 ASP A 78 -8.292 -12.720 -0.123 1.00 13.34 H new ATOM 0 HB3 ASP A 78 -7.835 -13.384 -1.680 1.00 13.34 H new ATOM 1169 N CYS A 79 -5.015 -14.913 -1.700 1.00 2.02 N ATOM 1170 CA CYS A 79 -4.325 -15.927 -2.510 1.00 63.12 C ATOM 1171 C CYS A 79 -2.998 -16.372 -1.870 1.00 54.25 C ATOM 1172 O CYS A 79 -2.239 -17.134 -2.470 1.00 14.22 O ATOM 1173 CB CYS A 79 -4.069 -15.385 -3.922 1.00 44.31 C ATOM 1174 SG CYS A 79 -5.577 -15.006 -4.846 1.00 52.45 S ATOM 0 H CYS A 79 -4.678 -13.962 -1.851 1.00 2.02 H new ATOM 0 HA CYS A 79 -4.974 -16.801 -2.564 1.00 63.12 H new ATOM 0 HB2 CYS A 79 -3.462 -14.482 -3.850 1.00 44.31 H new ATOM 0 HB3 CYS A 79 -3.486 -16.117 -4.481 1.00 44.31 H new ATOM 0 HG CYS A 79 -5.262 -14.553 -6.023 1.00 52.45 H new ATOM 1180 N ILE A 80 -2.714 -15.896 -0.656 1.00 64.23 N ATOM 1181 CA ILE A 80 -1.503 -16.301 0.074 1.00 70.15 C ATOM 1182 C ILE A 80 -1.797 -17.461 1.048 1.00 23.12 C ATOM 1183 O ILE A 80 -2.406 -17.257 2.100 1.00 30.44 O ATOM 1184 CB ILE A 80 -0.893 -15.114 0.870 1.00 4.32 C ATOM 1185 CG1 ILE A 80 -0.561 -13.943 -0.073 1.00 40.13 C ATOM 1186 CG2 ILE A 80 0.356 -15.556 1.637 1.00 23.01 C ATOM 1187 CD1 ILE A 80 0.003 -12.723 0.633 1.00 52.10 C ATOM 0 H ILE A 80 -3.303 -15.231 -0.155 1.00 64.23 H new ATOM 0 HA ILE A 80 -0.784 -16.634 -0.675 1.00 70.15 H new ATOM 0 HB ILE A 80 -1.634 -14.775 1.594 1.00 4.32 H new ATOM 0 HG12 ILE A 80 0.157 -14.283 -0.819 1.00 40.13 H new ATOM 0 HG13 ILE A 80 -1.465 -13.654 -0.609 1.00 40.13 H new ATOM 0 HG21 ILE A 80 0.765 -14.708 2.186 1.00 23.01 H new ATOM 0 HG22 ILE A 80 0.092 -16.348 2.337 1.00 23.01 H new ATOM 0 HG23 ILE A 80 1.102 -15.927 0.934 1.00 23.01 H new ATOM 0 HD11 ILE A 80 0.211 -11.943 -0.099 1.00 52.10 H new ATOM 0 HD12 ILE A 80 -0.722 -12.355 1.359 1.00 52.10 H new ATOM 0 HD13 ILE A 80 0.926 -12.994 1.146 1.00 52.10 H new ATOM 1199 N PRO A 81 -1.374 -18.697 0.708 1.00 1.10 N ATOM 1200 CA PRO A 81 -1.581 -19.874 1.574 1.00 24.23 C ATOM 1201 C PRO A 81 -0.737 -19.825 2.862 1.00 72.32 C ATOM 1202 O PRO A 81 -1.120 -20.382 3.894 1.00 22.10 O ATOM 1203 CB PRO A 81 -1.147 -21.061 0.686 1.00 64.44 C ATOM 1204 CG PRO A 81 -1.058 -20.508 -0.703 1.00 23.23 C ATOM 1205 CD PRO A 81 -0.688 -19.063 -0.543 1.00 70.43 C ATOM 0 HA PRO A 81 -2.612 -19.939 1.921 1.00 24.23 H new ATOM 0 HB2 PRO A 81 -0.188 -21.464 1.010 1.00 64.44 H new ATOM 0 HB3 PRO A 81 -1.869 -21.876 0.739 1.00 64.44 H new ATOM 0 HG2 PRO A 81 -0.309 -21.041 -1.289 1.00 23.23 H new ATOM 0 HG3 PRO A 81 -2.008 -20.613 -1.228 1.00 23.23 H new ATOM 0 HD2 PRO A 81 0.391 -18.926 -0.470 1.00 70.43 H new ATOM 0 HD3 PRO A 81 -1.030 -18.461 -1.385 1.00 70.43 H new ATOM 1213 N GLN A 82 0.414 -19.159 2.794 1.00 2.44 N ATOM 1214 CA GLN A 82 1.322 -19.056 3.943 1.00 4.24 C ATOM 1215 C GLN A 82 0.878 -17.941 4.904 1.00 31.32 C ATOM 1216 O GLN A 82 1.030 -16.755 4.603 1.00 25.43 O ATOM 1217 CB GLN A 82 2.765 -18.796 3.476 1.00 20.32 C ATOM 1218 CG GLN A 82 3.301 -19.832 2.487 1.00 22.11 C ATOM 1219 CD GLN A 82 2.798 -19.628 1.065 1.00 53.23 C ATOM 1220 OE1 GLN A 82 2.613 -20.577 0.312 1.00 0.53 O ATOM 1221 NE2 GLN A 82 2.594 -18.384 0.673 1.00 53.14 N ATOM 0 H GLN A 82 0.744 -18.681 1.956 1.00 2.44 H new ATOM 0 HA GLN A 82 1.287 -20.007 4.475 1.00 4.24 H new ATOM 0 HB2 GLN A 82 2.813 -17.810 3.014 1.00 20.32 H new ATOM 0 HB3 GLN A 82 3.418 -18.771 4.348 1.00 20.32 H new ATOM 0 HG2 GLN A 82 4.390 -19.794 2.488 1.00 22.11 H new ATOM 0 HG3 GLN A 82 3.016 -20.828 2.826 1.00 22.11 H new ATOM 0 HE21 GLN A 82 2.756 -17.612 1.320 1.00 53.14 H new ATOM 0 HE22 GLN A 82 2.275 -18.195 -0.277 1.00 53.14 H new ATOM 1230 N THR A 83 0.337 -18.321 6.062 1.00 71.20 N ATOM 1231 CA THR A 83 -0.180 -17.340 7.028 1.00 64.35 C ATOM 1232 C THR A 83 0.909 -16.376 7.529 1.00 30.33 C ATOM 1233 O THR A 83 0.619 -15.223 7.835 1.00 1.02 O ATOM 1234 CB THR A 83 -0.862 -18.013 8.241 1.00 62.34 C ATOM 1235 OG1 THR A 83 -1.916 -18.879 7.788 1.00 12.10 O ATOM 1236 CG2 THR A 83 -1.446 -16.966 9.187 1.00 40.31 C ATOM 0 H THR A 83 0.244 -19.293 6.356 1.00 71.20 H new ATOM 0 HA THR A 83 -0.927 -16.765 6.480 1.00 64.35 H new ATOM 0 HB THR A 83 -0.110 -18.591 8.777 1.00 62.34 H new ATOM 0 HG1 THR A 83 -2.344 -19.305 8.560 1.00 12.10 H new ATOM 0 HG21 THR A 83 -1.920 -17.464 10.033 1.00 40.31 H new ATOM 0 HG22 THR A 83 -0.648 -16.317 9.549 1.00 40.31 H new ATOM 0 HG23 THR A 83 -2.187 -16.368 8.656 1.00 40.31 H new ATOM 1244 N ARG A 84 2.155 -16.840 7.615 1.00 73.55 N ATOM 1245 CA ARG A 84 3.267 -15.975 8.049 1.00 4.03 C ATOM 1246 C ARG A 84 3.350 -14.692 7.199 1.00 32.51 C ATOM 1247 O ARG A 84 3.366 -13.581 7.734 1.00 24.14 O ATOM 1248 CB ARG A 84 4.596 -16.744 7.997 1.00 41.43 C ATOM 1249 CG ARG A 84 4.735 -17.824 9.071 1.00 22.33 C ATOM 1250 CD ARG A 84 5.172 -17.255 10.425 1.00 22.42 C ATOM 1251 NE ARG A 84 4.344 -16.129 10.863 1.00 11.50 N ATOM 1252 CZ ARG A 84 3.523 -16.157 11.880 1.00 4.20 C ATOM 1253 NH1 ARG A 84 3.429 -17.208 12.632 1.00 2.45 N ATOM 1254 NH2 ARG A 84 2.817 -15.111 12.155 1.00 64.23 N ATOM 0 H ARG A 84 2.425 -17.798 7.394 1.00 73.55 H new ATOM 0 HA ARG A 84 3.074 -15.676 9.079 1.00 4.03 H new ATOM 0 HB2 ARG A 84 4.697 -17.208 7.016 1.00 41.43 H new ATOM 0 HB3 ARG A 84 5.418 -16.035 8.101 1.00 41.43 H new ATOM 0 HG2 ARG A 84 3.782 -18.340 9.188 1.00 22.33 H new ATOM 0 HG3 ARG A 84 5.461 -18.567 8.742 1.00 22.33 H new ATOM 0 HD2 ARG A 84 5.130 -18.044 11.176 1.00 22.42 H new ATOM 0 HD3 ARG A 84 6.211 -16.932 10.360 1.00 22.42 H new ATOM 0 HE ARG A 84 4.413 -15.259 10.336 1.00 11.50 H new ATOM 0 HH11 ARG A 84 4.000 -18.029 12.434 1.00 2.45 H new ATOM 0 HH12 ARG A 84 2.784 -17.214 13.422 1.00 2.45 H new ATOM 0 HH21 ARG A 84 2.903 -14.272 11.581 1.00 64.23 H new ATOM 0 HH22 ARG A 84 2.174 -15.124 12.947 1.00 64.23 H new ATOM 1268 N ASN A 85 3.388 -14.848 5.876 1.00 45.51 N ATOM 1269 CA ASN A 85 3.377 -13.695 4.969 1.00 14.40 C ATOM 1270 C ASN A 85 1.996 -13.022 4.939 1.00 5.32 C ATOM 1271 O ASN A 85 1.894 -11.800 4.876 1.00 50.33 O ATOM 1272 CB ASN A 85 3.781 -14.116 3.551 1.00 13.32 C ATOM 1273 CG ASN A 85 5.200 -14.647 3.482 1.00 43.14 C ATOM 1274 OD1 ASN A 85 6.049 -14.299 4.297 1.00 42.50 O ATOM 1275 ND2 ASN A 85 5.478 -15.469 2.494 1.00 53.54 N ATOM 0 H ASN A 85 3.426 -15.754 5.409 1.00 45.51 H new ATOM 0 HA ASN A 85 4.103 -12.975 5.346 1.00 14.40 H new ATOM 0 HB2 ASN A 85 3.093 -14.882 3.193 1.00 13.32 H new ATOM 0 HB3 ASN A 85 3.684 -13.262 2.881 1.00 13.32 H new ATOM 0 HD21 ASN A 85 6.423 -15.838 2.388 1.00 53.54 H new ATOM 0 HD22 ASN A 85 4.748 -15.738 1.834 1.00 53.54 H new ATOM 1282 N LYS A 86 0.935 -13.831 4.997 1.00 51.45 N ATOM 1283 CA LYS A 86 -0.443 -13.315 4.961 1.00 23.00 C ATOM 1284 C LYS A 86 -0.719 -12.349 6.128 1.00 21.24 C ATOM 1285 O LYS A 86 -1.384 -11.326 5.960 1.00 61.44 O ATOM 1286 CB LYS A 86 -1.445 -14.482 4.989 1.00 25.41 C ATOM 1287 CG LYS A 86 -2.905 -14.046 4.869 1.00 32.35 C ATOM 1288 CD LYS A 86 -3.849 -15.236 4.703 1.00 51.34 C ATOM 1289 CE LYS A 86 -3.801 -16.182 5.894 1.00 54.24 C ATOM 1290 NZ LYS A 86 -4.721 -17.338 5.719 1.00 34.41 N ATOM 0 H LYS A 86 1.000 -14.846 5.069 1.00 51.45 H new ATOM 0 HA LYS A 86 -0.565 -12.756 4.033 1.00 23.00 H new ATOM 0 HB2 LYS A 86 -1.212 -15.168 4.174 1.00 25.41 H new ATOM 0 HB3 LYS A 86 -1.317 -15.036 5.919 1.00 25.41 H new ATOM 0 HG2 LYS A 86 -3.188 -13.481 5.757 1.00 32.35 H new ATOM 0 HG3 LYS A 86 -3.014 -13.376 4.016 1.00 32.35 H new ATOM 0 HD2 LYS A 86 -4.868 -14.873 4.571 1.00 51.34 H new ATOM 0 HD3 LYS A 86 -3.586 -15.782 3.797 1.00 51.34 H new ATOM 0 HE2 LYS A 86 -2.782 -16.545 6.029 1.00 54.24 H new ATOM 0 HE3 LYS A 86 -4.068 -15.639 6.801 1.00 54.24 H new ATOM 0 HZ1 LYS A 86 -4.660 -17.959 6.551 1.00 34.41 H new ATOM 0 HZ2 LYS A 86 -5.697 -16.993 5.616 1.00 34.41 H new ATOM 0 HZ3 LYS A 86 -4.451 -17.871 4.868 1.00 34.41 H new ATOM 1304 N PHE A 87 -0.197 -12.679 7.307 1.00 32.24 N ATOM 1305 CA PHE A 87 -0.357 -11.834 8.493 1.00 72.25 C ATOM 1306 C PHE A 87 0.414 -10.517 8.330 1.00 43.13 C ATOM 1307 O PHE A 87 -0.128 -9.437 8.571 1.00 24.35 O ATOM 1308 CB PHE A 87 0.129 -12.578 9.743 1.00 63.42 C ATOM 1309 CG PHE A 87 -0.122 -11.830 11.029 1.00 14.12 C ATOM 1310 CD1 PHE A 87 -1.369 -11.868 11.634 1.00 21.40 C ATOM 1311 CD2 PHE A 87 0.887 -11.092 11.631 1.00 4.43 C ATOM 1312 CE1 PHE A 87 -1.604 -11.184 12.812 1.00 43.21 C ATOM 1313 CE2 PHE A 87 0.657 -10.406 12.808 1.00 23.34 C ATOM 1314 CZ PHE A 87 -0.590 -10.454 13.400 1.00 4.42 C ATOM 0 H PHE A 87 0.343 -13.529 7.469 1.00 32.24 H new ATOM 0 HA PHE A 87 -1.416 -11.602 8.608 1.00 72.25 H new ATOM 0 HB2 PHE A 87 -0.367 -13.547 9.794 1.00 63.42 H new ATOM 0 HB3 PHE A 87 1.198 -12.771 9.648 1.00 63.42 H new ATOM 0 HD1 PHE A 87 -2.166 -12.438 11.180 1.00 21.40 H new ATOM 0 HD2 PHE A 87 1.865 -11.053 11.174 1.00 4.43 H new ATOM 0 HE1 PHE A 87 -2.580 -11.221 13.272 1.00 43.21 H new ATOM 0 HE2 PHE A 87 1.451 -9.833 13.264 1.00 23.34 H new ATOM 0 HZ PHE A 87 -0.772 -9.921 14.322 1.00 4.42 H new ATOM 1324 N ALA A 88 1.679 -10.622 7.918 1.00 1.11 N ATOM 1325 CA ALA A 88 2.506 -9.442 7.644 1.00 11.34 C ATOM 1326 C ALA A 88 1.867 -8.557 6.565 1.00 44.14 C ATOM 1327 O ALA A 88 1.929 -7.330 6.625 1.00 70.13 O ATOM 1328 CB ALA A 88 3.909 -9.868 7.223 1.00 51.41 C ATOM 0 H ALA A 88 2.154 -11.512 7.766 1.00 1.11 H new ATOM 0 HA ALA A 88 2.576 -8.856 8.560 1.00 11.34 H new ATOM 0 HB1 ALA A 88 4.513 -8.983 7.022 1.00 51.41 H new ATOM 0 HB2 ALA A 88 4.369 -10.448 8.024 1.00 51.41 H new ATOM 0 HB3 ALA A 88 3.849 -10.478 6.322 1.00 51.41 H new ATOM 1334 N PHE A 89 1.240 -9.200 5.586 1.00 54.14 N ATOM 1335 CA PHE A 89 0.539 -8.494 4.517 1.00 71.43 C ATOM 1336 C PHE A 89 -0.685 -7.746 5.072 1.00 55.22 C ATOM 1337 O PHE A 89 -0.885 -6.565 4.789 1.00 23.30 O ATOM 1338 CB PHE A 89 0.111 -9.494 3.432 1.00 44.01 C ATOM 1339 CG PHE A 89 -0.214 -8.868 2.100 1.00 23.34 C ATOM 1340 CD1 PHE A 89 -1.433 -8.245 1.888 1.00 2.23 C ATOM 1341 CD2 PHE A 89 0.702 -8.907 1.058 1.00 14.24 C ATOM 1342 CE1 PHE A 89 -1.733 -7.682 0.667 1.00 40.42 C ATOM 1343 CE2 PHE A 89 0.405 -8.345 -0.165 1.00 13.50 C ATOM 1344 CZ PHE A 89 -0.813 -7.728 -0.362 1.00 24.41 C ATOM 0 H PHE A 89 1.202 -10.216 5.510 1.00 54.14 H new ATOM 0 HA PHE A 89 1.213 -7.759 4.078 1.00 71.43 H new ATOM 0 HB2 PHE A 89 0.909 -10.223 3.292 1.00 44.01 H new ATOM 0 HB3 PHE A 89 -0.763 -10.042 3.785 1.00 44.01 H new ATOM 0 HD1 PHE A 89 -2.156 -8.200 2.689 1.00 2.23 H new ATOM 0 HD2 PHE A 89 1.660 -9.384 1.207 1.00 14.24 H new ATOM 0 HE1 PHE A 89 -2.689 -7.204 0.514 1.00 40.42 H new ATOM 0 HE2 PHE A 89 1.125 -8.388 -0.969 1.00 13.50 H new ATOM 0 HZ PHE A 89 -1.046 -7.282 -1.318 1.00 24.41 H new ATOM 1354 N ARG A 90 -1.499 -8.440 5.875 1.00 73.42 N ATOM 1355 CA ARG A 90 -2.686 -7.830 6.488 1.00 22.40 C ATOM 1356 C ARG A 90 -2.326 -6.621 7.362 1.00 23.00 C ATOM 1357 O ARG A 90 -2.952 -5.562 7.254 1.00 51.45 O ATOM 1358 CB ARG A 90 -3.468 -8.853 7.327 1.00 22.32 C ATOM 1359 CG ARG A 90 -4.284 -9.852 6.510 1.00 22.52 C ATOM 1360 CD ARG A 90 -5.251 -9.156 5.552 1.00 3.34 C ATOM 1361 NE ARG A 90 -5.992 -8.062 6.190 1.00 52.11 N ATOM 1362 CZ ARG A 90 -7.174 -8.182 6.733 1.00 10.24 C ATOM 1363 NH1 ARG A 90 -7.754 -9.337 6.812 1.00 20.20 N ATOM 1364 NH2 ARG A 90 -7.769 -7.138 7.208 1.00 14.23 N ATOM 0 H ARG A 90 -1.359 -9.421 6.116 1.00 73.42 H new ATOM 0 HA ARG A 90 -3.314 -7.485 5.667 1.00 22.40 H new ATOM 0 HB2 ARG A 90 -2.766 -9.403 7.953 1.00 22.32 H new ATOM 0 HB3 ARG A 90 -4.140 -8.317 7.997 1.00 22.32 H new ATOM 0 HG2 ARG A 90 -3.609 -10.492 5.942 1.00 22.52 H new ATOM 0 HG3 ARG A 90 -4.845 -10.499 7.184 1.00 22.52 H new ATOM 0 HD2 ARG A 90 -4.694 -8.764 4.701 1.00 3.34 H new ATOM 0 HD3 ARG A 90 -5.958 -9.888 5.160 1.00 3.34 H new ATOM 0 HE ARG A 90 -5.553 -7.142 6.211 1.00 52.11 H new ATOM 0 HH11 ARG A 90 -7.288 -10.168 6.448 1.00 20.20 H new ATOM 0 HH12 ARG A 90 -8.677 -9.416 7.239 1.00 20.20 H new ATOM 0 HH21 ARG A 90 -7.316 -6.226 7.158 1.00 14.23 H new ATOM 0 HH22 ARG A 90 -8.692 -7.226 7.633 1.00 14.23 H new ATOM 1378 N GLU A 91 -1.327 -6.777 8.233 1.00 64.33 N ATOM 1379 CA GLU A 91 -0.908 -5.681 9.110 1.00 4.22 C ATOM 1380 C GLU A 91 -0.323 -4.518 8.292 1.00 74.43 C ATOM 1381 O GLU A 91 -0.637 -3.356 8.547 1.00 74.43 O ATOM 1382 CB GLU A 91 0.097 -6.171 10.170 1.00 52.41 C ATOM 1383 CG GLU A 91 1.468 -6.555 9.624 1.00 63.45 C ATOM 1384 CD GLU A 91 2.443 -6.963 10.719 1.00 13.03 C ATOM 1385 OE1 GLU A 91 2.853 -6.090 11.510 1.00 43.44 O ATOM 1386 OE2 GLU A 91 2.809 -8.153 10.796 1.00 74.14 O ATOM 0 H GLU A 91 -0.798 -7.641 8.350 1.00 64.33 H new ATOM 0 HA GLU A 91 -1.791 -5.315 9.634 1.00 4.22 H new ATOM 0 HB2 GLU A 91 0.226 -5.388 10.917 1.00 52.41 H new ATOM 0 HB3 GLU A 91 -0.329 -7.034 10.682 1.00 52.41 H new ATOM 0 HG2 GLU A 91 1.356 -7.378 8.918 1.00 63.45 H new ATOM 0 HG3 GLU A 91 1.882 -5.713 9.069 1.00 63.45 H new ATOM 1393 N ALA A 92 0.502 -4.839 7.289 1.00 53.54 N ATOM 1394 CA ALA A 92 1.080 -3.825 6.397 1.00 42.50 C ATOM 1395 C ALA A 92 -0.015 -3.008 5.690 1.00 62.13 C ATOM 1396 O ALA A 92 0.060 -1.781 5.616 1.00 73.22 O ATOM 1397 CB ALA A 92 1.998 -4.484 5.372 1.00 30.44 C ATOM 0 H ALA A 92 0.785 -5.795 7.074 1.00 53.54 H new ATOM 0 HA ALA A 92 1.666 -3.137 7.007 1.00 42.50 H new ATOM 0 HB1 ALA A 92 2.419 -3.721 4.717 1.00 30.44 H new ATOM 0 HB2 ALA A 92 2.804 -5.005 5.888 1.00 30.44 H new ATOM 0 HB3 ALA A 92 1.427 -5.197 4.777 1.00 30.44 H new ATOM 1403 N VAL A 93 -1.036 -3.694 5.179 1.00 53.15 N ATOM 1404 CA VAL A 93 -2.195 -3.028 4.573 1.00 24.14 C ATOM 1405 C VAL A 93 -2.954 -2.188 5.612 1.00 70.35 C ATOM 1406 O VAL A 93 -3.338 -1.048 5.344 1.00 54.32 O ATOM 1407 CB VAL A 93 -3.156 -4.053 3.922 1.00 21.21 C ATOM 1408 CG1 VAL A 93 -4.419 -3.375 3.394 1.00 20.34 C ATOM 1409 CG2 VAL A 93 -2.438 -4.805 2.807 1.00 71.51 C ATOM 0 H VAL A 93 -1.087 -4.713 5.171 1.00 53.15 H new ATOM 0 HA VAL A 93 -1.817 -2.365 3.794 1.00 24.14 H new ATOM 0 HB VAL A 93 -3.464 -4.766 4.687 1.00 21.21 H new ATOM 0 HG11 VAL A 93 -5.072 -4.122 2.943 1.00 20.34 H new ATOM 0 HG12 VAL A 93 -4.941 -2.886 4.217 1.00 20.34 H new ATOM 0 HG13 VAL A 93 -4.147 -2.632 2.644 1.00 20.34 H new ATOM 0 HG21 VAL A 93 -3.121 -5.524 2.355 1.00 71.51 H new ATOM 0 HG22 VAL A 93 -2.101 -4.098 2.049 1.00 71.51 H new ATOM 0 HG23 VAL A 93 -1.577 -5.332 3.219 1.00 71.51 H new ATOM 1419 N SER A 94 -3.138 -2.751 6.806 1.00 3.50 N ATOM 1420 CA SER A 94 -3.783 -2.030 7.914 1.00 61.10 C ATOM 1421 C SER A 94 -3.029 -0.734 8.236 1.00 35.33 C ATOM 1422 O SER A 94 -3.608 0.232 8.725 1.00 3.25 O ATOM 1423 CB SER A 94 -3.859 -2.914 9.170 1.00 71.31 C ATOM 1424 OG SER A 94 -4.641 -4.077 8.938 1.00 4.43 O ATOM 0 H SER A 94 -2.852 -3.703 7.035 1.00 3.50 H new ATOM 0 HA SER A 94 -4.796 -1.777 7.600 1.00 61.10 H new ATOM 0 HB2 SER A 94 -2.853 -3.204 9.474 1.00 71.31 H new ATOM 0 HB3 SER A 94 -4.288 -2.343 9.993 1.00 71.31 H new ATOM 0 HG SER A 94 -4.151 -4.688 8.349 1.00 4.43 H new ATOM 1430 N LYS A 95 -1.727 -0.729 7.969 1.00 64.32 N ATOM 1431 CA LYS A 95 -0.911 0.477 8.128 1.00 65.31 C ATOM 1432 C LYS A 95 -1.211 1.490 7.010 1.00 1.22 C ATOM 1433 O LYS A 95 -1.419 2.677 7.266 1.00 71.41 O ATOM 1434 CB LYS A 95 0.581 0.113 8.111 1.00 50.33 C ATOM 1435 CG LYS A 95 0.986 -0.906 9.172 1.00 50.14 C ATOM 1436 CD LYS A 95 2.414 -1.410 8.958 1.00 1.53 C ATOM 1437 CE LYS A 95 2.767 -2.556 9.906 1.00 52.14 C ATOM 1438 NZ LYS A 95 2.619 -2.174 11.333 1.00 51.52 N ATOM 0 H LYS A 95 -1.211 -1.545 7.641 1.00 64.32 H new ATOM 0 HA LYS A 95 -1.159 0.932 9.087 1.00 65.31 H new ATOM 0 HB2 LYS A 95 0.836 -0.282 7.128 1.00 50.33 H new ATOM 0 HB3 LYS A 95 1.167 1.021 8.252 1.00 50.33 H new ATOM 0 HG2 LYS A 95 0.904 -0.454 10.160 1.00 50.14 H new ATOM 0 HG3 LYS A 95 0.295 -1.749 9.149 1.00 50.14 H new ATOM 0 HD2 LYS A 95 2.529 -1.744 7.927 1.00 1.53 H new ATOM 0 HD3 LYS A 95 3.114 -0.588 9.107 1.00 1.53 H new ATOM 0 HE2 LYS A 95 2.126 -3.411 9.693 1.00 52.14 H new ATOM 0 HE3 LYS A 95 3.793 -2.874 9.722 1.00 52.14 H new ATOM 0 HZ1 LYS A 95 2.981 -2.940 11.937 1.00 51.52 H new ATOM 0 HZ2 LYS A 95 3.158 -1.304 11.517 1.00 51.52 H new ATOM 0 HZ3 LYS A 95 1.614 -2.011 11.546 1.00 51.52 H new ATOM 1452 N LEU A 96 -1.246 1.001 5.769 1.00 11.24 N ATOM 1453 CA LEU A 96 -1.472 1.853 4.595 1.00 44.54 C ATOM 1454 C LEU A 96 -2.831 2.571 4.653 1.00 41.34 C ATOM 1455 O LEU A 96 -2.904 3.793 4.508 1.00 43.53 O ATOM 1456 CB LEU A 96 -1.386 1.009 3.313 1.00 11.33 C ATOM 1457 CG LEU A 96 -1.614 1.775 1.997 1.00 64.42 C ATOM 1458 CD1 LEU A 96 -0.544 2.845 1.797 1.00 20.03 C ATOM 1459 CD2 LEU A 96 -1.642 0.813 0.809 1.00 42.34 C ATOM 0 H LEU A 96 -1.120 0.013 5.548 1.00 11.24 H new ATOM 0 HA LEU A 96 -0.695 2.617 4.591 1.00 44.54 H new ATOM 0 HB2 LEU A 96 -0.403 0.539 3.274 1.00 11.33 H new ATOM 0 HB3 LEU A 96 -2.121 0.206 3.378 1.00 11.33 H new ATOM 0 HG LEU A 96 -2.582 2.271 2.059 1.00 64.42 H new ATOM 0 HD11 LEU A 96 -0.727 3.372 0.861 1.00 20.03 H new ATOM 0 HD12 LEU A 96 -0.579 3.553 2.625 1.00 20.03 H new ATOM 0 HD13 LEU A 96 0.439 2.375 1.763 1.00 20.03 H new ATOM 0 HD21 LEU A 96 -1.804 1.375 -0.111 1.00 42.34 H new ATOM 0 HD22 LEU A 96 -0.691 0.283 0.747 1.00 42.34 H new ATOM 0 HD23 LEU A 96 -2.450 0.094 0.942 1.00 42.34 H new ATOM 1471 N GLU A 97 -3.904 1.811 4.873 1.00 30.12 N ATOM 1472 CA GLU A 97 -5.257 2.384 4.909 1.00 53.03 C ATOM 1473 C GLU A 97 -5.411 3.421 6.038 1.00 74.33 C ATOM 1474 O GLU A 97 -6.047 4.462 5.854 1.00 13.22 O ATOM 1475 CB GLU A 97 -6.313 1.274 5.045 1.00 1.43 C ATOM 1476 CG GLU A 97 -6.153 0.396 6.282 1.00 31.33 C ATOM 1477 CD GLU A 97 -7.241 -0.666 6.386 1.00 13.20 C ATOM 1478 OE1 GLU A 97 -8.398 -0.307 6.702 1.00 30.34 O ATOM 1479 OE2 GLU A 97 -6.952 -1.858 6.140 1.00 63.22 O ATOM 0 H GLU A 97 -3.868 0.804 5.028 1.00 30.12 H new ATOM 0 HA GLU A 97 -5.416 2.904 3.964 1.00 53.03 H new ATOM 0 HB2 GLU A 97 -7.302 1.732 5.065 1.00 1.43 H new ATOM 0 HB3 GLU A 97 -6.273 0.641 4.158 1.00 1.43 H new ATOM 0 HG2 GLU A 97 -5.177 -0.089 6.256 1.00 31.33 H new ATOM 0 HG3 GLU A 97 -6.174 1.022 7.174 1.00 31.33 H new ATOM 1486 N LEU A 98 -4.813 3.140 7.199 1.00 13.41 N ATOM 1487 CA LEU A 98 -4.809 4.092 8.318 1.00 20.24 C ATOM 1488 C LEU A 98 -4.070 5.385 7.949 1.00 30.53 C ATOM 1489 O LEU A 98 -4.553 6.487 8.213 1.00 72.04 O ATOM 1490 CB LEU A 98 -4.184 3.458 9.576 1.00 60.24 C ATOM 1491 CG LEU A 98 -5.178 2.789 10.545 1.00 71.54 C ATOM 1492 CD1 LEU A 98 -6.082 3.833 11.197 1.00 13.12 C ATOM 1493 CD2 LEU A 98 -6.016 1.727 9.831 1.00 63.03 C ATOM 0 H LEU A 98 -4.326 2.264 7.390 1.00 13.41 H new ATOM 0 HA LEU A 98 -5.846 4.346 8.536 1.00 20.24 H new ATOM 0 HB2 LEU A 98 -3.453 2.713 9.261 1.00 60.24 H new ATOM 0 HB3 LEU A 98 -3.639 4.230 10.118 1.00 60.24 H new ATOM 0 HG LEU A 98 -4.600 2.294 11.326 1.00 71.54 H new ATOM 0 HD11 LEU A 98 -6.776 3.339 11.877 1.00 13.12 H new ATOM 0 HD12 LEU A 98 -5.473 4.545 11.754 1.00 13.12 H new ATOM 0 HD13 LEU A 98 -6.643 4.361 10.426 1.00 13.12 H new ATOM 0 HD21 LEU A 98 -6.708 1.272 10.540 1.00 63.03 H new ATOM 0 HD22 LEU A 98 -6.579 2.191 9.021 1.00 63.03 H new ATOM 0 HD23 LEU A 98 -5.359 0.959 9.422 1.00 63.03 H new ATOM 1505 N SER A 99 -2.906 5.249 7.323 1.00 54.03 N ATOM 1506 CA SER A 99 -2.132 6.416 6.894 1.00 23.31 C ATOM 1507 C SER A 99 -2.863 7.207 5.799 1.00 64.05 C ATOM 1508 O SER A 99 -2.738 8.425 5.722 1.00 50.34 O ATOM 1509 CB SER A 99 -0.739 5.996 6.413 1.00 1.53 C ATOM 1510 OG SER A 99 0.024 5.446 7.477 1.00 55.13 O ATOM 0 H SER A 99 -2.477 4.351 7.101 1.00 54.03 H new ATOM 0 HA SER A 99 -2.020 7.071 7.758 1.00 23.31 H new ATOM 0 HB2 SER A 99 -0.833 5.263 5.612 1.00 1.53 H new ATOM 0 HB3 SER A 99 -0.219 6.859 5.996 1.00 1.53 H new ATOM 0 HG SER A 99 -0.239 4.513 7.620 1.00 55.13 H new ATOM 1516 N LEU A 100 -3.633 6.517 4.961 1.00 5.01 N ATOM 1517 CA LEU A 100 -4.429 7.182 3.917 1.00 43.35 C ATOM 1518 C LEU A 100 -5.588 8.000 4.517 1.00 72.42 C ATOM 1519 O LEU A 100 -5.834 9.142 4.109 1.00 23.42 O ATOM 1520 CB LEU A 100 -4.967 6.147 2.915 1.00 31.41 C ATOM 1521 CG LEU A 100 -3.914 5.536 1.970 1.00 52.33 C ATOM 1522 CD1 LEU A 100 -4.512 4.397 1.145 1.00 33.45 C ATOM 1523 CD2 LEU A 100 -3.328 6.612 1.056 1.00 40.33 C ATOM 0 H LEU A 100 -3.727 5.501 4.979 1.00 5.01 H new ATOM 0 HA LEU A 100 -3.772 7.877 3.394 1.00 43.35 H new ATOM 0 HB2 LEU A 100 -5.443 5.340 3.472 1.00 31.41 H new ATOM 0 HB3 LEU A 100 -5.742 6.619 2.312 1.00 31.41 H new ATOM 0 HG LEU A 100 -3.110 5.123 2.580 1.00 52.33 H new ATOM 0 HD11 LEU A 100 -3.747 3.984 0.487 1.00 33.45 H new ATOM 0 HD12 LEU A 100 -4.876 3.616 1.813 1.00 33.45 H new ATOM 0 HD13 LEU A 100 -5.339 4.777 0.546 1.00 33.45 H new ATOM 0 HD21 LEU A 100 -2.586 6.164 0.395 1.00 40.33 H new ATOM 0 HD22 LEU A 100 -4.125 7.056 0.459 1.00 40.33 H new ATOM 0 HD23 LEU A 100 -2.855 7.385 1.661 1.00 40.33 H new ATOM 1535 N GLN A 101 -6.297 7.426 5.491 1.00 52.32 N ATOM 1536 CA GLN A 101 -7.430 8.119 6.122 1.00 74.24 C ATOM 1537 C GLN A 101 -6.959 9.286 7.011 1.00 52.13 C ATOM 1538 O GLN A 101 -7.628 10.317 7.093 1.00 35.21 O ATOM 1539 CB GLN A 101 -8.301 7.138 6.926 1.00 21.54 C ATOM 1540 CG GLN A 101 -7.597 6.485 8.112 1.00 33.43 C ATOM 1541 CD GLN A 101 -8.473 5.464 8.823 1.00 63.43 C ATOM 1542 OE1 GLN A 101 -8.471 4.281 8.491 1.00 43.53 O ATOM 1543 NE2 GLN A 101 -9.225 5.908 9.808 1.00 41.14 N ATOM 0 H GLN A 101 -6.112 6.493 5.859 1.00 52.32 H new ATOM 0 HA GLN A 101 -8.039 8.539 5.321 1.00 74.24 H new ATOM 0 HB2 GLN A 101 -9.181 7.669 7.290 1.00 21.54 H new ATOM 0 HB3 GLN A 101 -8.656 6.355 6.256 1.00 21.54 H new ATOM 0 HG2 GLN A 101 -6.686 5.998 7.765 1.00 33.43 H new ATOM 0 HG3 GLN A 101 -7.296 7.256 8.821 1.00 33.43 H new ATOM 0 HE21 GLN A 101 -9.204 6.896 10.060 1.00 41.14 H new ATOM 0 HE22 GLN A 101 -9.828 5.264 10.319 1.00 41.14 H new ATOM 1552 N GLU A 102 -5.805 9.132 7.668 1.00 31.22 N ATOM 1553 CA GLU A 102 -5.230 10.231 8.458 1.00 54.44 C ATOM 1554 C GLU A 102 -4.593 11.290 7.537 1.00 14.13 C ATOM 1555 O GLU A 102 -4.596 12.480 7.847 1.00 14.53 O ATOM 1556 CB GLU A 102 -4.191 9.711 9.473 1.00 4.34 C ATOM 1557 CG GLU A 102 -2.869 9.275 8.851 1.00 43.10 C ATOM 1558 CD GLU A 102 -1.853 8.795 9.880 1.00 72.01 C ATOM 1559 OE1 GLU A 102 -1.312 9.635 10.632 1.00 42.13 O ATOM 1560 OE2 GLU A 102 -1.587 7.576 9.945 1.00 44.15 O ATOM 0 H GLU A 102 -5.256 8.272 7.671 1.00 31.22 H new ATOM 0 HA GLU A 102 -6.043 10.695 9.015 1.00 54.44 H new ATOM 0 HB2 GLU A 102 -3.994 10.493 10.206 1.00 4.34 H new ATOM 0 HB3 GLU A 102 -4.620 8.868 10.014 1.00 4.34 H new ATOM 0 HG2 GLU A 102 -3.058 8.475 8.135 1.00 43.10 H new ATOM 0 HG3 GLU A 102 -2.445 10.109 8.292 1.00 43.10 H new ATOM 1567 N LEU A 103 -4.055 10.849 6.397 1.00 15.21 N ATOM 1568 CA LEU A 103 -3.445 11.757 5.415 1.00 0.25 C ATOM 1569 C LEU A 103 -4.425 12.848 4.959 1.00 54.43 C ATOM 1570 O LEU A 103 -4.177 14.036 5.150 1.00 42.12 O ATOM 1571 CB LEU A 103 -2.958 10.967 4.190 1.00 52.21 C ATOM 1572 CG LEU A 103 -2.406 11.812 3.029 1.00 23.21 C ATOM 1573 CD1 LEU A 103 -1.175 12.602 3.462 1.00 64.43 C ATOM 1574 CD2 LEU A 103 -2.085 10.932 1.823 1.00 2.41 C ATOM 0 H LEU A 103 -4.028 9.865 6.128 1.00 15.21 H new ATOM 0 HA LEU A 103 -2.600 12.241 5.904 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -2.181 10.274 4.513 1.00 52.21 H new ATOM 0 HB3 LEU A 103 -3.786 10.365 3.816 1.00 52.21 H new ATOM 0 HG LEU A 103 -3.178 12.524 2.737 1.00 23.21 H new ATOM 0 HD11 LEU A 103 -0.806 13.190 2.622 1.00 64.43 H new ATOM 0 HD12 LEU A 103 -1.441 13.269 4.283 1.00 64.43 H new ATOM 0 HD13 LEU A 103 -0.398 11.913 3.792 1.00 64.43 H new ATOM 0 HD21 LEU A 103 -1.696 11.551 1.014 1.00 2.41 H new ATOM 0 HD22 LEU A 103 -1.338 10.189 2.103 1.00 2.41 H new ATOM 0 HD23 LEU A 103 -2.992 10.427 1.490 1.00 2.41 H new ATOM 1586 N GLN A 104 -5.546 12.425 4.376 1.00 2.53 N ATOM 1587 CA GLN A 104 -6.527 13.350 3.788 1.00 1.14 C ATOM 1588 C GLN A 104 -7.005 14.437 4.776 1.00 63.41 C ATOM 1589 O GLN A 104 -7.465 15.503 4.358 1.00 63.23 O ATOM 1590 CB GLN A 104 -7.724 12.561 3.242 1.00 43.12 C ATOM 1591 CG GLN A 104 -8.405 11.677 4.281 1.00 70.53 C ATOM 1592 CD GLN A 104 -9.560 10.879 3.704 1.00 1.23 C ATOM 1593 OE1 GLN A 104 -10.699 11.331 3.689 1.00 24.44 O ATOM 1594 NE2 GLN A 104 -9.277 9.687 3.221 1.00 44.35 N ATOM 0 H GLN A 104 -5.803 11.441 4.296 1.00 2.53 H new ATOM 0 HA GLN A 104 -6.024 13.873 2.975 1.00 1.14 H new ATOM 0 HB2 GLN A 104 -8.456 13.262 2.839 1.00 43.12 H new ATOM 0 HB3 GLN A 104 -7.389 11.938 2.413 1.00 43.12 H new ATOM 0 HG2 GLN A 104 -7.672 10.992 4.706 1.00 70.53 H new ATOM 0 HG3 GLN A 104 -8.771 12.299 5.098 1.00 70.53 H new ATOM 0 HE21 GLN A 104 -8.318 9.340 3.249 1.00 44.35 H new ATOM 0 HE22 GLN A 104 -10.017 9.111 2.819 1.00 44.35 H new ATOM 1603 N VAL A 105 -6.896 14.172 6.081 1.00 51.25 N ATOM 1604 CA VAL A 105 -7.290 15.152 7.106 1.00 34.44 C ATOM 1605 C VAL A 105 -6.072 15.869 7.724 1.00 74.40 C ATOM 1606 O VAL A 105 -6.202 16.967 8.270 1.00 23.55 O ATOM 1607 CB VAL A 105 -8.120 14.490 8.241 1.00 4.44 C ATOM 1608 CG1 VAL A 105 -9.371 13.819 7.677 1.00 64.43 C ATOM 1609 CG2 VAL A 105 -7.277 13.490 9.033 1.00 55.15 C ATOM 0 H VAL A 105 -6.540 13.292 6.455 1.00 51.25 H new ATOM 0 HA VAL A 105 -7.907 15.891 6.594 1.00 34.44 H new ATOM 0 HB VAL A 105 -8.434 15.277 8.927 1.00 4.44 H new ATOM 0 HG11 VAL A 105 -9.937 13.362 8.489 1.00 64.43 H new ATOM 0 HG12 VAL A 105 -9.990 14.564 7.178 1.00 64.43 H new ATOM 0 HG13 VAL A 105 -9.080 13.051 6.961 1.00 64.43 H new ATOM 0 HG21 VAL A 105 -7.885 13.044 9.820 1.00 55.15 H new ATOM 0 HG22 VAL A 105 -6.917 12.708 8.365 1.00 55.15 H new ATOM 0 HG23 VAL A 105 -6.427 14.005 9.480 1.00 55.15 H new ATOM 1619 N SER A 106 -4.890 15.254 7.636 1.00 52.11 N ATOM 1620 CA SER A 106 -3.668 15.814 8.253 1.00 60.53 C ATOM 1621 C SER A 106 -2.725 16.462 7.225 1.00 13.25 C ATOM 1622 O SER A 106 -1.703 17.041 7.597 1.00 21.55 O ATOM 1623 CB SER A 106 -2.899 14.727 9.019 1.00 32.24 C ATOM 1624 OG SER A 106 -3.690 14.156 10.051 1.00 4.34 O ATOM 0 H SER A 106 -4.745 14.371 7.147 1.00 52.11 H new ATOM 0 HA SER A 106 -4.004 16.591 8.939 1.00 60.53 H new ATOM 0 HB2 SER A 106 -2.585 13.946 8.326 1.00 32.24 H new ATOM 0 HB3 SER A 106 -1.993 15.155 9.449 1.00 32.24 H new ATOM 0 HG SER A 106 -4.239 13.434 9.681 1.00 4.34 H new ATOM 1630 N SER A 107 -3.051 16.360 5.940 1.00 54.13 N ATOM 1631 CA SER A 107 -2.189 16.910 4.884 1.00 73.42 C ATOM 1632 C SER A 107 -2.506 18.387 4.598 1.00 13.03 C ATOM 1633 O SER A 107 -1.661 19.260 4.801 1.00 73.43 O ATOM 1634 CB SER A 107 -2.326 16.088 3.599 1.00 21.54 C ATOM 1635 OG SER A 107 -3.611 16.230 3.013 1.00 54.31 O ATOM 0 H SER A 107 -3.899 15.906 5.600 1.00 54.13 H new ATOM 0 HA SER A 107 -1.161 16.852 5.241 1.00 73.42 H new ATOM 0 HB2 SER A 107 -1.565 16.402 2.885 1.00 21.54 H new ATOM 0 HB3 SER A 107 -2.142 15.037 3.820 1.00 21.54 H new ATOM 0 HG SER A 107 -3.535 16.167 2.038 1.00 54.31 H new ATOM 1641 N ALA A 108 -3.721 18.652 4.102 1.00 23.41 N ATOM 1642 CA ALA A 108 -4.181 20.023 3.811 1.00 73.04 C ATOM 1643 C ALA A 108 -3.351 20.709 2.707 1.00 2.13 C ATOM 1644 O ALA A 108 -3.454 21.922 2.503 1.00 41.04 O ATOM 1645 CB ALA A 108 -4.177 20.864 5.086 1.00 71.31 C ATOM 0 H ALA A 108 -4.411 17.931 3.891 1.00 23.41 H new ATOM 0 HA ALA A 108 -5.200 19.944 3.433 1.00 73.04 H new ATOM 0 HB1 ALA A 108 -4.519 21.873 4.857 1.00 71.31 H new ATOM 0 HB2 ALA A 108 -4.844 20.413 5.821 1.00 71.31 H new ATOM 0 HB3 ALA A 108 -3.166 20.906 5.491 1.00 71.31 H new ATOM 1651 N ALA A 109 -2.550 19.925 1.983 1.00 61.30 N ATOM 1652 CA ALA A 109 -1.691 20.456 0.917 1.00 34.01 C ATOM 1653 C ALA A 109 -2.261 20.162 -0.474 1.00 63.42 C ATOM 1654 O ALA A 109 -3.025 19.214 -0.660 1.00 20.12 O ATOM 1655 CB ALA A 109 -0.290 19.869 1.031 1.00 34.21 C ATOM 0 H ALA A 109 -2.477 18.916 2.114 1.00 61.30 H new ATOM 0 HA ALA A 109 -1.648 21.538 1.041 1.00 34.01 H new ATOM 0 HB1 ALA A 109 0.338 20.270 0.236 1.00 34.21 H new ATOM 0 HB2 ALA A 109 0.137 20.133 1.998 1.00 34.21 H new ATOM 0 HB3 ALA A 109 -0.342 18.784 0.941 1.00 34.21 H new ATOM 1661 N ALA A 110 -1.888 20.988 -1.448 1.00 2.22 N ATOM 1662 CA ALA A 110 -2.271 20.764 -2.847 1.00 44.02 C ATOM 1663 C ALA A 110 -1.306 19.779 -3.533 1.00 14.12 C ATOM 1664 O ALA A 110 -1.709 18.704 -3.981 1.00 74.33 O ATOM 1665 CB ALA A 110 -2.313 22.094 -3.597 1.00 21.51 C ATOM 0 H ALA A 110 -1.320 21.822 -1.298 1.00 2.22 H new ATOM 0 HA ALA A 110 -3.266 20.320 -2.866 1.00 44.02 H new ATOM 0 HB1 ALA A 110 -2.598 21.918 -4.634 1.00 21.51 H new ATOM 0 HB2 ALA A 110 -3.042 22.754 -3.127 1.00 21.51 H new ATOM 0 HB3 ALA A 110 -1.328 22.561 -3.566 1.00 21.51 H new ATOM 1671 N GLY A 111 -0.028 20.151 -3.597 1.00 43.41 N ATOM 1672 CA GLY A 111 0.986 19.290 -4.203 1.00 30.51 C ATOM 1673 C GLY A 111 2.390 19.555 -3.665 1.00 44.44 C ATOM 1674 O GLY A 111 3.353 19.664 -4.430 1.00 71.24 O ATOM 0 H GLY A 111 0.328 21.037 -3.239 1.00 43.41 H new ATOM 0 HA2 GLY A 111 0.724 18.247 -4.023 1.00 30.51 H new ATOM 0 HA3 GLY A 111 0.982 19.438 -5.283 1.00 30.51 H new ATOM 1678 N VAL A 112 2.507 19.658 -2.345 1.00 35.21 N ATOM 1679 CA VAL A 112 3.788 19.954 -1.696 1.00 72.14 C ATOM 1680 C VAL A 112 4.517 18.661 -1.283 1.00 0.44 C ATOM 1681 O VAL A 112 4.024 17.900 -0.443 1.00 64.51 O ATOM 1682 CB VAL A 112 3.581 20.846 -0.447 1.00 75.30 C ATOM 1683 CG1 VAL A 112 4.922 21.241 0.175 1.00 61.44 C ATOM 1684 CG2 VAL A 112 2.752 22.081 -0.801 1.00 62.41 C ATOM 0 H VAL A 112 1.728 19.541 -1.697 1.00 35.21 H new ATOM 0 HA VAL A 112 4.401 20.488 -2.422 1.00 72.14 H new ATOM 0 HB VAL A 112 3.030 20.269 0.296 1.00 75.30 H new ATOM 0 HG11 VAL A 112 4.747 21.867 1.050 1.00 61.44 H new ATOM 0 HG12 VAL A 112 5.463 20.343 0.474 1.00 61.44 H new ATOM 0 HG13 VAL A 112 5.513 21.795 -0.555 1.00 61.44 H new ATOM 0 HG21 VAL A 112 2.617 22.696 0.089 1.00 62.41 H new ATOM 0 HG22 VAL A 112 3.269 22.659 -1.566 1.00 62.41 H new ATOM 0 HG23 VAL A 112 1.778 21.769 -1.178 1.00 62.41 H new ATOM 1694 N PRO A 113 5.708 18.396 -1.859 1.00 24.34 N ATOM 1695 CA PRO A 113 6.474 17.168 -1.568 1.00 14.33 C ATOM 1696 C PRO A 113 6.961 17.100 -0.108 1.00 53.22 C ATOM 1697 O PRO A 113 7.682 17.982 0.368 1.00 45.12 O ATOM 1698 CB PRO A 113 7.660 17.250 -2.543 1.00 14.42 C ATOM 1699 CG PRO A 113 7.802 18.703 -2.853 1.00 63.43 C ATOM 1700 CD PRO A 113 6.405 19.264 -2.831 1.00 71.30 C ATOM 0 HA PRO A 113 5.867 16.271 -1.692 1.00 14.33 H new ATOM 0 HB2 PRO A 113 8.569 16.851 -2.093 1.00 14.42 H new ATOM 0 HB3 PRO A 113 7.470 16.670 -3.446 1.00 14.42 H new ATOM 0 HG2 PRO A 113 8.435 19.200 -2.118 1.00 63.43 H new ATOM 0 HG3 PRO A 113 8.268 18.852 -3.827 1.00 63.43 H new ATOM 0 HD2 PRO A 113 6.395 20.308 -2.518 1.00 71.30 H new ATOM 0 HD3 PRO A 113 5.939 19.222 -3.815 1.00 71.30 H new ATOM 1708 N GLY A 114 6.554 16.047 0.600 1.00 23.02 N ATOM 1709 CA GLY A 114 6.952 15.870 1.994 1.00 73.31 C ATOM 1710 C GLY A 114 6.307 16.879 2.948 1.00 42.44 C ATOM 1711 O GLY A 114 6.877 17.208 3.985 1.00 54.23 O ATOM 0 H GLY A 114 5.953 15.309 0.234 1.00 23.02 H new ATOM 0 HA2 GLY A 114 6.689 14.861 2.313 1.00 73.31 H new ATOM 0 HA3 GLY A 114 8.036 15.955 2.067 1.00 73.31 H new ATOM 1715 N THR A 115 5.120 17.376 2.593 1.00 73.35 N ATOM 1716 CA THR A 115 4.387 18.327 3.452 1.00 45.34 C ATOM 1717 C THR A 115 4.050 17.730 4.829 1.00 61.03 C ATOM 1718 O THR A 115 4.040 18.441 5.834 1.00 15.32 O ATOM 1719 CB THR A 115 3.075 18.817 2.789 1.00 64.20 C ATOM 1720 OG1 THR A 115 2.309 19.608 3.712 1.00 33.11 O ATOM 1721 CG2 THR A 115 2.230 17.647 2.298 1.00 73.43 C ATOM 0 H THR A 115 4.643 17.141 1.723 1.00 73.35 H new ATOM 0 HA THR A 115 5.060 19.174 3.587 1.00 45.34 H new ATOM 0 HB THR A 115 3.351 19.429 1.930 1.00 64.20 H new ATOM 0 HG1 THR A 115 1.915 20.372 3.240 1.00 33.11 H new ATOM 0 HG21 THR A 115 1.317 18.025 1.838 1.00 73.43 H new ATOM 0 HG22 THR A 115 2.795 17.073 1.564 1.00 73.43 H new ATOM 0 HG23 THR A 115 1.973 17.005 3.141 1.00 73.43 H new ATOM 1729 N ASN A 116 3.771 16.427 4.868 1.00 1.05 N ATOM 1730 CA ASN A 116 3.446 15.739 6.126 1.00 12.04 C ATOM 1731 C ASN A 116 4.210 14.407 6.250 1.00 13.45 C ATOM 1732 O ASN A 116 4.403 13.700 5.257 1.00 32.12 O ATOM 1733 CB ASN A 116 1.933 15.494 6.225 1.00 33.43 C ATOM 1734 CG ASN A 116 1.395 14.704 5.050 1.00 52.22 C ATOM 1735 OD1 ASN A 116 1.426 13.483 5.046 1.00 64.22 O ATOM 1736 ND2 ASN A 116 0.896 15.393 4.046 1.00 45.04 N ATOM 0 H ASN A 116 3.762 15.824 4.046 1.00 1.05 H new ATOM 0 HA ASN A 116 3.756 16.383 6.949 1.00 12.04 H new ATOM 0 HB2 ASN A 116 1.715 14.959 7.149 1.00 33.43 H new ATOM 0 HB3 ASN A 116 1.416 16.452 6.282 1.00 33.43 H new ATOM 0 HD21 ASN A 116 0.519 14.908 3.232 1.00 45.04 H new ATOM 0 HD22 ASN A 116 0.886 16.412 4.082 1.00 45.04 H new ATOM 1743 N PRO A 117 4.649 14.043 7.476 1.00 34.33 N ATOM 1744 CA PRO A 117 5.354 12.771 7.731 1.00 14.23 C ATOM 1745 C PRO A 117 4.548 11.533 7.290 1.00 41.22 C ATOM 1746 O PRO A 117 5.114 10.470 7.016 1.00 3.43 O ATOM 1747 CB PRO A 117 5.548 12.767 9.257 1.00 33.45 C ATOM 1748 CG PRO A 117 5.496 14.206 9.648 1.00 42.34 C ATOM 1749 CD PRO A 117 4.512 14.847 8.709 1.00 24.11 C ATOM 0 HA PRO A 117 6.283 12.712 7.164 1.00 14.23 H new ATOM 0 HB2 PRO A 117 4.766 12.193 9.754 1.00 33.45 H new ATOM 0 HB3 PRO A 117 6.500 12.315 9.534 1.00 33.45 H new ATOM 0 HG2 PRO A 117 5.179 14.319 10.685 1.00 42.34 H new ATOM 0 HG3 PRO A 117 6.478 14.671 9.563 1.00 42.34 H new ATOM 0 HD2 PRO A 117 3.496 14.810 9.103 1.00 24.11 H new ATOM 0 HD3 PRO A 117 4.748 15.897 8.534 1.00 24.11 H new ATOM 1757 N VAL A 118 3.224 11.681 7.226 1.00 50.14 N ATOM 1758 CA VAL A 118 2.337 10.595 6.793 1.00 63.54 C ATOM 1759 C VAL A 118 2.697 10.095 5.380 1.00 32.42 C ATOM 1760 O VAL A 118 2.598 8.903 5.090 1.00 13.12 O ATOM 1761 CB VAL A 118 0.852 11.037 6.823 1.00 3.41 C ATOM 1762 CG1 VAL A 118 -0.073 9.881 6.446 1.00 74.43 C ATOM 1763 CG2 VAL A 118 0.488 11.612 8.194 1.00 23.22 C ATOM 0 H VAL A 118 2.739 12.545 7.469 1.00 50.14 H new ATOM 0 HA VAL A 118 2.478 9.775 7.497 1.00 63.54 H new ATOM 0 HB VAL A 118 0.716 11.823 6.080 1.00 3.41 H new ATOM 0 HG11 VAL A 118 -1.109 10.219 6.475 1.00 74.43 H new ATOM 0 HG12 VAL A 118 0.168 9.536 5.441 1.00 74.43 H new ATOM 0 HG13 VAL A 118 0.061 9.062 7.153 1.00 74.43 H new ATOM 0 HG21 VAL A 118 -0.559 11.917 8.195 1.00 23.22 H new ATOM 0 HG22 VAL A 118 0.646 10.853 8.960 1.00 23.22 H new ATOM 0 HG23 VAL A 118 1.118 12.477 8.405 1.00 23.22 H new ATOM 1773 N LEU A 119 3.127 11.012 4.510 1.00 61.32 N ATOM 1774 CA LEU A 119 3.577 10.652 3.155 1.00 3.13 C ATOM 1775 C LEU A 119 4.712 9.613 3.202 1.00 51.24 C ATOM 1776 O LEU A 119 4.711 8.632 2.455 1.00 64.21 O ATOM 1777 CB LEU A 119 4.048 11.906 2.405 1.00 12.34 C ATOM 1778 CG LEU A 119 2.980 12.999 2.225 1.00 54.13 C ATOM 1779 CD1 LEU A 119 3.576 14.237 1.563 1.00 2.15 C ATOM 1780 CD2 LEU A 119 1.793 12.471 1.419 1.00 0.34 C ATOM 0 H LEU A 119 3.175 12.010 4.716 1.00 61.32 H new ATOM 0 HA LEU A 119 2.732 10.210 2.626 1.00 3.13 H new ATOM 0 HB2 LEU A 119 4.896 12.333 2.940 1.00 12.34 H new ATOM 0 HB3 LEU A 119 4.409 11.607 1.421 1.00 12.34 H new ATOM 0 HG LEU A 119 2.619 13.285 3.213 1.00 54.13 H new ATOM 0 HD11 LEU A 119 2.802 14.996 1.446 1.00 2.15 H new ATOM 0 HD12 LEU A 119 4.380 14.631 2.185 1.00 2.15 H new ATOM 0 HD13 LEU A 119 3.973 13.970 0.584 1.00 2.15 H new ATOM 0 HD21 LEU A 119 1.051 13.261 1.304 1.00 0.34 H new ATOM 0 HD22 LEU A 119 2.135 12.149 0.435 1.00 0.34 H new ATOM 0 HD23 LEU A 119 1.345 11.626 1.942 1.00 0.34 H new ATOM 1792 N ASN A 120 5.674 9.835 4.095 1.00 42.24 N ATOM 1793 CA ASN A 120 6.782 8.895 4.292 1.00 12.02 C ATOM 1794 C ASN A 120 6.274 7.572 4.897 1.00 72.33 C ATOM 1795 O ASN A 120 6.779 6.493 4.579 1.00 65.33 O ATOM 1796 CB ASN A 120 7.846 9.533 5.195 1.00 51.34 C ATOM 1797 CG ASN A 120 9.038 8.625 5.457 1.00 3.10 C ATOM 1798 OD1 ASN A 120 9.395 7.782 4.641 1.00 4.41 O ATOM 1799 ND2 ASN A 120 9.670 8.797 6.599 1.00 11.44 N ATOM 0 H ASN A 120 5.711 10.658 4.696 1.00 42.24 H new ATOM 0 HA ASN A 120 7.230 8.668 3.324 1.00 12.02 H new ATOM 0 HB2 ASN A 120 8.196 10.457 4.735 1.00 51.34 H new ATOM 0 HB3 ASN A 120 7.389 9.804 6.147 1.00 51.34 H new ATOM 0 HD21 ASN A 120 10.481 8.221 6.825 1.00 11.44 H new ATOM 0 HD22 ASN A 120 9.349 9.507 7.258 1.00 11.44 H new ATOM 1806 N ASN A 121 5.261 7.663 5.761 1.00 11.25 N ATOM 1807 CA ASN A 121 4.626 6.469 6.328 1.00 13.33 C ATOM 1808 C ASN A 121 3.969 5.627 5.225 1.00 2.42 C ATOM 1809 O ASN A 121 4.028 4.396 5.251 1.00 23.11 O ATOM 1810 CB ASN A 121 3.590 6.855 7.392 1.00 11.20 C ATOM 1811 CG ASN A 121 4.208 7.633 8.541 1.00 42.11 C ATOM 1812 OD1 ASN A 121 5.395 7.519 8.817 1.00 51.14 O ATOM 1813 ND2 ASN A 121 3.407 8.415 9.234 1.00 44.34 N ATOM 0 H ASN A 121 4.864 8.546 6.083 1.00 11.25 H new ATOM 0 HA ASN A 121 5.402 5.870 6.805 1.00 13.33 H new ATOM 0 HB2 ASN A 121 2.805 7.454 6.931 1.00 11.20 H new ATOM 0 HB3 ASN A 121 3.117 5.953 7.780 1.00 11.20 H new ATOM 0 HD21 ASN A 121 3.772 8.946 10.025 1.00 44.34 H new ATOM 0 HD22 ASN A 121 2.422 8.490 8.980 1.00 44.34 H new ATOM 1820 N LEU A 122 3.347 6.299 4.253 1.00 2.34 N ATOM 1821 CA LEU A 122 2.787 5.618 3.079 1.00 32.30 C ATOM 1822 C LEU A 122 3.872 4.830 2.338 1.00 22.32 C ATOM 1823 O LEU A 122 3.704 3.649 2.052 1.00 52.34 O ATOM 1824 CB LEU A 122 2.131 6.621 2.117 1.00 63.42 C ATOM 1825 CG LEU A 122 0.865 7.318 2.640 1.00 2.15 C ATOM 1826 CD1 LEU A 122 0.311 8.283 1.597 1.00 71.11 C ATOM 1827 CD2 LEU A 122 -0.191 6.289 3.031 1.00 41.04 C ATOM 0 H LEU A 122 3.218 7.311 4.254 1.00 2.34 H new ATOM 0 HA LEU A 122 2.025 4.925 3.436 1.00 32.30 H new ATOM 0 HB2 LEU A 122 2.865 7.385 1.863 1.00 63.42 H new ATOM 0 HB3 LEU A 122 1.881 6.099 1.193 1.00 63.42 H new ATOM 0 HG LEU A 122 1.133 7.891 3.528 1.00 2.15 H new ATOM 0 HD11 LEU A 122 -0.585 8.766 1.987 1.00 71.11 H new ATOM 0 HD12 LEU A 122 1.061 9.040 1.368 1.00 71.11 H new ATOM 0 HD13 LEU A 122 0.061 7.734 0.689 1.00 71.11 H new ATOM 0 HD21 LEU A 122 -1.080 6.802 3.399 1.00 41.04 H new ATOM 0 HD22 LEU A 122 -0.453 5.688 2.160 1.00 41.04 H new ATOM 0 HD23 LEU A 122 0.204 5.641 3.814 1.00 41.04 H new ATOM 1839 N LEU A 123 4.989 5.495 2.040 1.00 3.21 N ATOM 1840 CA LEU A 123 6.132 4.843 1.384 1.00 2.44 C ATOM 1841 C LEU A 123 6.554 3.574 2.144 1.00 70.20 C ATOM 1842 O LEU A 123 6.699 2.501 1.555 1.00 3.11 O ATOM 1843 CB LEU A 123 7.315 5.820 1.288 1.00 22.23 C ATOM 1844 CG LEU A 123 8.544 5.299 0.521 1.00 35.23 C ATOM 1845 CD1 LEU A 123 8.187 4.987 -0.935 1.00 71.35 C ATOM 1846 CD2 LEU A 123 9.691 6.306 0.594 1.00 0.41 C ATOM 0 H LEU A 123 5.130 6.485 2.241 1.00 3.21 H new ATOM 0 HA LEU A 123 5.827 4.552 0.379 1.00 2.44 H new ATOM 0 HB2 LEU A 123 6.970 6.735 0.807 1.00 22.23 H new ATOM 0 HB3 LEU A 123 7.625 6.088 2.298 1.00 22.23 H new ATOM 0 HG LEU A 123 8.872 4.373 0.993 1.00 35.23 H new ATOM 0 HD11 LEU A 123 9.072 4.621 -1.456 1.00 71.35 H new ATOM 0 HD12 LEU A 123 7.408 4.225 -0.963 1.00 71.35 H new ATOM 0 HD13 LEU A 123 7.827 5.893 -1.424 1.00 71.35 H new ATOM 0 HD21 LEU A 123 10.550 5.919 0.046 1.00 0.41 H new ATOM 0 HD22 LEU A 123 9.374 7.251 0.152 1.00 0.41 H new ATOM 0 HD23 LEU A 123 9.968 6.467 1.636 1.00 0.41 H new ATOM 1858 N SER A 124 6.724 3.707 3.460 1.00 31.31 N ATOM 1859 CA SER A 124 7.092 2.575 4.323 1.00 60.12 C ATOM 1860 C SER A 124 6.079 1.424 4.211 1.00 71.44 C ATOM 1861 O SER A 124 6.454 0.262 4.030 1.00 50.22 O ATOM 1862 CB SER A 124 7.195 3.032 5.786 1.00 34.00 C ATOM 1863 OG SER A 124 7.558 1.955 6.641 1.00 60.24 O ATOM 0 H SER A 124 6.613 4.591 3.957 1.00 31.31 H new ATOM 0 HA SER A 124 8.062 2.208 3.986 1.00 60.12 H new ATOM 0 HB2 SER A 124 7.934 3.829 5.869 1.00 34.00 H new ATOM 0 HB3 SER A 124 6.240 3.448 6.107 1.00 34.00 H new ATOM 0 HG SER A 124 7.617 2.276 7.565 1.00 60.24 H new ATOM 1869 N CYS A 125 4.793 1.755 4.312 1.00 23.24 N ATOM 1870 CA CYS A 125 3.722 0.749 4.243 1.00 55.31 C ATOM 1871 C CYS A 125 3.671 0.063 2.868 1.00 32.54 C ATOM 1872 O CYS A 125 3.658 -1.163 2.778 1.00 74.11 O ATOM 1873 CB CYS A 125 2.363 1.392 4.553 1.00 34.13 C ATOM 1874 SG CYS A 125 2.255 2.146 6.197 1.00 35.32 S ATOM 0 H CYS A 125 4.462 2.711 4.442 1.00 23.24 H new ATOM 0 HA CYS A 125 3.943 -0.012 4.991 1.00 55.31 H new ATOM 0 HB2 CYS A 125 2.155 2.154 3.802 1.00 34.13 H new ATOM 0 HB3 CYS A 125 1.586 0.633 4.462 1.00 34.13 H new ATOM 0 HG CYS A 125 2.951 3.244 6.217 1.00 35.32 H new ATOM 1880 N VAL A 126 3.653 0.861 1.800 1.00 74.13 N ATOM 1881 CA VAL A 126 3.580 0.338 0.427 1.00 15.21 C ATOM 1882 C VAL A 126 4.760 -0.592 0.103 1.00 60.23 C ATOM 1883 O VAL A 126 4.574 -1.675 -0.460 1.00 61.53 O ATOM 1884 CB VAL A 126 3.536 1.484 -0.614 1.00 62.04 C ATOM 1885 CG1 VAL A 126 3.515 0.935 -2.041 1.00 11.21 C ATOM 1886 CG2 VAL A 126 2.330 2.386 -0.371 1.00 64.44 C ATOM 0 H VAL A 126 3.688 1.879 1.856 1.00 74.13 H new ATOM 0 HA VAL A 126 2.656 -0.237 0.368 1.00 15.21 H new ATOM 0 HB VAL A 126 4.443 2.077 -0.495 1.00 62.04 H new ATOM 0 HG11 VAL A 126 3.484 1.763 -2.749 1.00 11.21 H new ATOM 0 HG12 VAL A 126 4.412 0.341 -2.216 1.00 11.21 H new ATOM 0 HG13 VAL A 126 2.633 0.308 -2.177 1.00 11.21 H new ATOM 0 HG21 VAL A 126 2.318 3.185 -1.113 1.00 64.44 H new ATOM 0 HG22 VAL A 126 1.415 1.800 -0.453 1.00 64.44 H new ATOM 0 HG23 VAL A 126 2.395 2.819 0.627 1.00 64.44 H new ATOM 1896 N GLN A 127 5.973 -0.164 0.453 1.00 64.42 N ATOM 1897 CA GLN A 127 7.168 -0.982 0.227 1.00 22.01 C ATOM 1898 C GLN A 127 7.090 -2.310 0.993 1.00 1.55 C ATOM 1899 O GLN A 127 7.433 -3.360 0.457 1.00 14.10 O ATOM 1900 CB GLN A 127 8.439 -0.213 0.621 1.00 11.22 C ATOM 1901 CG GLN A 127 8.731 0.986 -0.277 1.00 61.14 C ATOM 1902 CD GLN A 127 10.028 1.692 0.080 1.00 61.54 C ATOM 1903 OE1 GLN A 127 10.453 1.705 1.233 1.00 12.35 O ATOM 1904 NE2 GLN A 127 10.672 2.283 -0.906 1.00 53.04 N ATOM 0 H GLN A 127 6.155 0.739 0.892 1.00 64.42 H new ATOM 0 HA GLN A 127 7.214 -1.208 -0.838 1.00 22.01 H new ATOM 0 HB2 GLN A 127 8.341 0.130 1.651 1.00 11.22 H new ATOM 0 HB3 GLN A 127 9.289 -0.894 0.591 1.00 11.22 H new ATOM 0 HG2 GLN A 127 8.778 0.654 -1.314 1.00 61.14 H new ATOM 0 HG3 GLN A 127 7.906 1.695 -0.207 1.00 61.14 H new ATOM 0 HE21 GLN A 127 10.293 2.254 -1.852 1.00 53.04 H new ATOM 0 HE22 GLN A 127 11.550 2.769 -0.723 1.00 53.04 H new ATOM 1913 N GLU A 128 6.615 -2.261 2.239 1.00 45.30 N ATOM 1914 CA GLU A 128 6.450 -3.477 3.045 1.00 61.04 C ATOM 1915 C GLU A 128 5.432 -4.435 2.398 1.00 32.41 C ATOM 1916 O GLU A 128 5.705 -5.623 2.231 1.00 44.31 O ATOM 1917 CB GLU A 128 6.011 -3.117 4.470 1.00 63.25 C ATOM 1918 CG GLU A 128 5.988 -4.302 5.432 1.00 13.42 C ATOM 1919 CD GLU A 128 7.363 -4.928 5.637 1.00 15.33 C ATOM 1920 OE1 GLU A 128 8.166 -4.371 6.416 1.00 52.11 O ATOM 1921 OE2 GLU A 128 7.642 -5.985 5.034 1.00 54.23 O ATOM 0 H GLU A 128 6.339 -1.400 2.711 1.00 45.30 H new ATOM 0 HA GLU A 128 7.413 -3.986 3.091 1.00 61.04 H new ATOM 0 HB2 GLU A 128 6.683 -2.355 4.865 1.00 63.25 H new ATOM 0 HB3 GLU A 128 5.016 -2.674 4.431 1.00 63.25 H new ATOM 0 HG2 GLU A 128 5.597 -3.974 6.395 1.00 13.42 H new ATOM 0 HG3 GLU A 128 5.303 -5.059 5.051 1.00 13.42 H new ATOM 1928 N ILE A 129 4.264 -3.904 2.022 1.00 71.21 N ATOM 1929 CA ILE A 129 3.240 -4.692 1.314 1.00 42.10 C ATOM 1930 C ILE A 129 3.829 -5.359 0.059 1.00 32.22 C ATOM 1931 O ILE A 129 3.732 -6.575 -0.128 1.00 33.45 O ATOM 1932 CB ILE A 129 2.034 -3.808 0.895 1.00 1.25 C ATOM 1933 CG1 ILE A 129 1.364 -3.185 2.131 1.00 1.22 C ATOM 1934 CG2 ILE A 129 1.022 -4.620 0.086 1.00 1.34 C ATOM 1935 CD1 ILE A 129 0.218 -2.250 1.799 1.00 2.21 C ATOM 0 H ILE A 129 4.001 -2.934 2.194 1.00 71.21 H new ATOM 0 HA ILE A 129 2.895 -5.460 2.007 1.00 42.10 H new ATOM 0 HB ILE A 129 2.406 -3.001 0.263 1.00 1.25 H new ATOM 0 HG12 ILE A 129 0.994 -3.984 2.774 1.00 1.22 H new ATOM 0 HG13 ILE A 129 2.114 -2.637 2.702 1.00 1.22 H new ATOM 0 HG21 ILE A 129 0.186 -3.981 -0.197 1.00 1.34 H new ATOM 0 HG22 ILE A 129 1.502 -5.008 -0.812 1.00 1.34 H new ATOM 0 HG23 ILE A 129 0.656 -5.450 0.690 1.00 1.34 H new ATOM 0 HD11 ILE A 129 -0.204 -1.850 2.721 1.00 2.21 H new ATOM 0 HD12 ILE A 129 0.585 -1.430 1.182 1.00 2.21 H new ATOM 0 HD13 ILE A 129 -0.552 -2.797 1.255 1.00 2.21 H new ATOM 1947 N SER A 130 4.453 -4.544 -0.788 1.00 11.31 N ATOM 1948 CA SER A 130 5.113 -5.033 -2.007 1.00 51.14 C ATOM 1949 C SER A 130 6.200 -6.062 -1.676 1.00 20.54 C ATOM 1950 O SER A 130 6.412 -7.024 -2.416 1.00 62.23 O ATOM 1951 CB SER A 130 5.737 -3.862 -2.783 1.00 31.34 C ATOM 1952 OG SER A 130 4.765 -2.877 -3.099 1.00 25.02 O ATOM 0 H SER A 130 4.518 -3.535 -0.656 1.00 11.31 H new ATOM 0 HA SER A 130 4.354 -5.515 -2.623 1.00 51.14 H new ATOM 0 HB2 SER A 130 6.533 -3.413 -2.190 1.00 31.34 H new ATOM 0 HB3 SER A 130 6.194 -4.233 -3.701 1.00 31.34 H new ATOM 0 HG SER A 130 4.561 -2.350 -2.298 1.00 25.02 H new ATOM 1958 N ASP A 131 6.875 -5.855 -0.550 1.00 62.01 N ATOM 1959 CA ASP A 131 7.942 -6.750 -0.106 1.00 40.01 C ATOM 1960 C ASP A 131 7.376 -8.122 0.304 1.00 41.20 C ATOM 1961 O ASP A 131 7.988 -9.156 0.045 1.00 1.14 O ATOM 1962 CB ASP A 131 8.713 -6.108 1.056 1.00 4.12 C ATOM 1963 CG ASP A 131 10.082 -6.731 1.253 1.00 53.23 C ATOM 1964 OD1 ASP A 131 11.037 -6.294 0.579 1.00 14.25 O ATOM 1965 OD2 ASP A 131 10.211 -7.655 2.077 1.00 44.34 O ATOM 0 H ASP A 131 6.701 -5.069 0.077 1.00 62.01 H new ATOM 0 HA ASP A 131 8.629 -6.911 -0.937 1.00 40.01 H new ATOM 0 HB2 ASP A 131 8.826 -5.040 0.868 1.00 4.12 H new ATOM 0 HB3 ASP A 131 8.134 -6.211 1.974 1.00 4.12 H new ATOM 1970 N VAL A 132 6.195 -8.133 0.924 1.00 64.13 N ATOM 1971 CA VAL A 132 5.524 -9.395 1.264 1.00 64.42 C ATOM 1972 C VAL A 132 5.191 -10.192 -0.010 1.00 44.33 C ATOM 1973 O VAL A 132 5.196 -11.425 -0.012 1.00 3.33 O ATOM 1974 CB VAL A 132 4.222 -9.168 2.073 1.00 44.44 C ATOM 1975 CG1 VAL A 132 3.623 -10.501 2.508 1.00 24.34 C ATOM 1976 CG2 VAL A 132 4.469 -8.274 3.285 1.00 32.41 C ATOM 0 H VAL A 132 5.685 -7.294 1.200 1.00 64.13 H new ATOM 0 HA VAL A 132 6.219 -9.960 1.886 1.00 64.42 H new ATOM 0 HB VAL A 132 3.510 -8.660 1.422 1.00 44.44 H new ATOM 0 HG11 VAL A 132 2.709 -10.322 3.075 1.00 24.34 H new ATOM 0 HG12 VAL A 132 3.392 -11.101 1.628 1.00 24.34 H new ATOM 0 HG13 VAL A 132 4.339 -11.035 3.133 1.00 24.34 H new ATOM 0 HG21 VAL A 132 3.536 -8.135 3.831 1.00 32.41 H new ATOM 0 HG22 VAL A 132 5.205 -8.742 3.939 1.00 32.41 H new ATOM 0 HG23 VAL A 132 4.843 -7.306 2.953 1.00 32.41 H new ATOM 1986 N VAL A 133 4.904 -9.471 -1.091 1.00 21.01 N ATOM 1987 CA VAL A 133 4.705 -10.086 -2.407 1.00 22.21 C ATOM 1988 C VAL A 133 6.030 -10.662 -2.938 1.00 73.33 C ATOM 1989 O VAL A 133 6.050 -11.685 -3.625 1.00 74.33 O ATOM 1990 CB VAL A 133 4.137 -9.060 -3.425 1.00 11.22 C ATOM 1991 CG1 VAL A 133 3.873 -9.714 -4.782 1.00 41.43 C ATOM 1992 CG2 VAL A 133 2.867 -8.407 -2.881 1.00 33.41 C ATOM 0 H VAL A 133 4.803 -8.456 -1.084 1.00 21.01 H new ATOM 0 HA VAL A 133 3.983 -10.894 -2.289 1.00 22.21 H new ATOM 0 HB VAL A 133 4.887 -8.283 -3.571 1.00 11.22 H new ATOM 0 HG11 VAL A 133 3.476 -8.971 -5.473 1.00 41.43 H new ATOM 0 HG12 VAL A 133 4.805 -10.117 -5.179 1.00 41.43 H new ATOM 0 HG13 VAL A 133 3.150 -10.521 -4.663 1.00 41.43 H new ATOM 0 HG21 VAL A 133 2.485 -7.692 -3.609 1.00 33.41 H new ATOM 0 HG22 VAL A 133 2.114 -9.173 -2.696 1.00 33.41 H new ATOM 0 HG23 VAL A 133 3.094 -7.890 -1.949 1.00 33.41 H new ATOM 2002 N GLN A 134 7.135 -9.992 -2.611 1.00 63.21 N ATOM 2003 CA GLN A 134 8.475 -10.477 -2.964 1.00 71.33 C ATOM 2004 C GLN A 134 8.846 -11.728 -2.149 1.00 71.24 C ATOM 2005 O GLN A 134 9.625 -12.571 -2.604 1.00 42.33 O ATOM 2006 CB GLN A 134 9.516 -9.373 -2.726 1.00 61.22 C ATOM 2007 CG GLN A 134 9.267 -8.104 -3.532 1.00 32.24 C ATOM 2008 CD GLN A 134 10.225 -6.982 -3.166 1.00 41.12 C ATOM 2009 OE1 GLN A 134 11.366 -7.219 -2.784 1.00 32.33 O ATOM 2010 NE2 GLN A 134 9.771 -5.753 -3.278 1.00 3.45 N ATOM 0 H GLN A 134 7.131 -9.109 -2.101 1.00 63.21 H new ATOM 0 HA GLN A 134 8.468 -10.746 -4.020 1.00 71.33 H new ATOM 0 HB2 GLN A 134 9.528 -9.121 -1.666 1.00 61.22 H new ATOM 0 HB3 GLN A 134 10.505 -9.760 -2.973 1.00 61.22 H new ATOM 0 HG2 GLN A 134 9.364 -8.328 -4.594 1.00 32.24 H new ATOM 0 HG3 GLN A 134 8.242 -7.770 -3.369 1.00 32.24 H new ATOM 0 HE21 GLN A 134 8.817 -5.589 -3.599 1.00 3.45 H new ATOM 0 HE22 GLN A 134 10.373 -4.964 -3.044 1.00 3.45 H new ATOM 2019 N ARG A 135 8.282 -11.835 -0.944 1.00 51.40 N ATOM 2020 CA ARG A 135 8.495 -12.999 -0.068 1.00 11.13 C ATOM 2021 C ARG A 135 7.806 -14.269 -0.622 1.00 45.54 C ATOM 2022 O ARG A 135 6.648 -14.557 -0.236 1.00 38.37 O ATOM 2023 CB ARG A 135 7.979 -12.684 1.348 1.00 25.32 C ATOM 2024 CG ARG A 135 8.750 -11.569 2.050 1.00 34.35 C ATOM 2025 CD ARG A 135 8.107 -11.186 3.381 1.00 64.21 C ATOM 2026 NE ARG A 135 8.915 -10.216 4.120 1.00 51.43 N ATOM 2027 CZ ARG A 135 8.551 -8.986 4.387 1.00 31.41 C ATOM 2028 NH1 ARG A 135 7.444 -8.506 3.930 1.00 75.02 N ATOM 2029 NH2 ARG A 135 9.312 -8.221 5.093 1.00 64.22 N ATOM 2030 OXT ARG A 135 8.424 -14.974 -1.450 1.00 38.37 O ATOM 0 H ARG A 135 7.668 -11.124 -0.546 1.00 51.40 H new ATOM 0 HA ARG A 135 9.565 -13.201 -0.029 1.00 11.13 H new ATOM 0 HB2 ARG A 135 6.927 -12.404 1.288 1.00 25.32 H new ATOM 0 HB3 ARG A 135 8.034 -13.588 1.954 1.00 25.32 H new ATOM 0 HG2 ARG A 135 9.777 -11.890 2.222 1.00 34.35 H new ATOM 0 HG3 ARG A 135 8.794 -10.694 1.402 1.00 34.35 H new ATOM 0 HD2 ARG A 135 7.117 -10.769 3.199 1.00 64.21 H new ATOM 0 HD3 ARG A 135 7.969 -12.081 3.988 1.00 64.21 H new ATOM 0 HE ARG A 135 9.830 -10.520 4.452 1.00 51.43 H new ATOM 0 HH11 ARG A 135 6.837 -9.086 3.351 1.00 75.02 H new ATOM 0 HH12 ARG A 135 7.176 -7.546 4.148 1.00 75.02 H new ATOM 0 HH21 ARG A 135 10.202 -8.573 5.446 1.00 64.22 H new ATOM 0 HH22 ARG A 135 9.024 -7.264 5.298 1.00 64.22 H new