USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 58 THR OG1 : rot 26:sc= 0.0429 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.872 F(o=-1.6,f=-0.87) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.4!) USER MOD Single : A 69 THR OG1 : rot 82:sc= 0.0743 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.5) USER MOD Single : A 74 SER OG : rot 180:sc= -0.646 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.811 -1.414 -12.641 1.00 0.00 N ATOM 592 CA THR A 58 -15.164 -2.669 -12.299 1.00 0.00 C ATOM 593 C THR A 58 -13.648 -2.551 -12.471 1.00 0.00 C ATOM 594 O THR A 58 -12.987 -3.512 -12.864 1.00 0.00 O ATOM 595 CB THR A 58 -15.789 -3.772 -13.155 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.079 -3.966 -12.583 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.093 -5.122 -12.971 1.00 0.00 C ATOM 0 HA THR A 58 -15.322 -2.923 -11.251 1.00 0.00 H new ATOM 0 HB THR A 58 -15.748 -3.483 -14.205 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.368 -3.141 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.576 -5.869 -13.601 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.044 -5.032 -13.254 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.163 -5.428 -11.927 1.00 0.00 H new ATOM 605 N TYR A 59 -13.140 -1.365 -12.170 1.00 0.00 N ATOM 606 CA TYR A 59 -11.715 -1.109 -12.287 1.00 0.00 C ATOM 607 C TYR A 59 -11.147 -0.559 -10.978 1.00 0.00 C ATOM 608 O TYR A 59 -11.873 -0.415 -9.994 1.00 0.00 O ATOM 609 CB TYR A 59 -11.566 -0.047 -13.380 1.00 0.00 C ATOM 610 CG TYR A 59 -12.395 1.214 -13.138 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.131 2.017 -12.046 1.00 0.00 C ATOM 612 CD2 TYR A 59 -13.409 1.551 -14.012 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.911 3.205 -11.819 1.00 0.00 C ATOM 614 CE2 TYR A 59 -14.191 2.739 -13.784 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.903 3.507 -12.699 1.00 0.00 C ATOM 616 OH TYR A 59 -14.641 4.630 -12.485 1.00 0.00 O ATOM 0 H TYR A 59 -13.691 -0.570 -11.845 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.178 -2.028 -12.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.515 0.231 -13.461 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.855 -0.482 -14.337 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.338 1.753 -11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.616 0.924 -14.867 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.713 3.842 -10.970 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.988 3.014 -14.459 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.312 4.720 -13.193 1.00 0.00 H new ATOM 625 N CYS A 60 -9.855 -0.268 -11.006 1.00 0.00 N ATOM 626 CA CYS A 60 -9.181 0.263 -9.832 1.00 0.00 C ATOM 627 C CYS A 60 -9.228 1.790 -9.901 1.00 0.00 C ATOM 628 O CYS A 60 -9.036 2.373 -10.967 1.00 0.00 O ATOM 629 CB CYS A 60 -7.748 -0.260 -9.718 1.00 0.00 C ATOM 630 SG CYS A 60 -7.435 -1.839 -10.588 1.00 0.00 S ATOM 0 H CYS A 60 -9.256 -0.390 -11.823 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.693 -0.075 -8.931 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.068 0.496 -10.111 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.506 -0.389 -8.663 1.00 0.00 H new ATOM 634 N ASN A 61 -9.486 2.395 -8.751 1.00 0.00 N ATOM 635 CA ASN A 61 -9.561 3.844 -8.667 1.00 0.00 C ATOM 636 C ASN A 61 -8.515 4.347 -7.671 1.00 0.00 C ATOM 637 O ASN A 61 -7.628 3.597 -7.264 1.00 0.00 O ATOM 638 CB ASN A 61 -10.938 4.297 -8.177 1.00 0.00 C ATOM 639 CG ASN A 61 -11.372 5.587 -8.874 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.301 5.534 -10.201 1.00 0.00 O flip ATOM 641 ND2 ASN A 61 -11.746 6.565 -8.249 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.646 1.908 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.382 4.250 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.671 3.513 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.911 4.454 -7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.776 6.538 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.029 7.410 -8.745 1.00 0.00 H new ATOM 647 N THR A 62 -8.653 5.613 -7.306 1.00 0.00 N ATOM 648 CA THR A 62 -7.731 6.226 -6.365 1.00 0.00 C ATOM 649 C THR A 62 -7.989 5.706 -4.950 1.00 0.00 C ATOM 650 O THR A 62 -9.121 5.737 -4.469 1.00 0.00 O ATOM 651 CB THR A 62 -7.869 7.745 -6.488 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.953 8.093 -7.522 1.00 0.00 O ATOM 653 CG2 THR A 62 -7.341 8.483 -5.257 1.00 0.00 C ATOM 0 H THR A 62 -9.390 6.231 -7.645 1.00 0.00 H new ATOM 0 HA THR A 62 -6.699 5.959 -6.593 1.00 0.00 H new ATOM 0 HB THR A 62 -8.917 8.003 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.979 9.062 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.463 9.557 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.899 8.166 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.284 8.253 -5.120 1.00 0.00 H new ATOM 661 N THR A 63 -6.920 5.238 -4.321 1.00 0.00 N ATOM 662 CA THR A 63 -7.016 4.712 -2.971 1.00 0.00 C ATOM 663 C THR A 63 -5.623 4.546 -2.362 1.00 0.00 C ATOM 664 O THR A 63 -4.617 4.753 -3.039 1.00 0.00 O ATOM 665 CB THR A 63 -7.814 3.408 -3.027 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.549 3.396 -1.807 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.920 2.170 -2.935 1.00 0.00 C ATOM 0 H THR A 63 -5.983 5.213 -4.723 1.00 0.00 H new ATOM 0 HA THR A 63 -7.543 5.404 -2.314 1.00 0.00 H new ATOM 0 HB THR A 63 -8.387 3.374 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.096 2.584 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.536 1.272 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.215 2.168 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.371 2.187 -1.994 1.00 0.00 H new ATOM 675 N LEU A 64 -5.608 4.172 -1.091 1.00 0.00 N ATOM 676 CA LEU A 64 -4.353 3.976 -0.384 1.00 0.00 C ATOM 677 C LEU A 64 -4.263 2.525 0.092 1.00 0.00 C ATOM 678 O LEU A 64 -5.182 2.021 0.735 1.00 0.00 O ATOM 679 CB LEU A 64 -4.206 5.002 0.742 1.00 0.00 C ATOM 680 CG LEU A 64 -5.365 5.076 1.738 1.00 0.00 C ATOM 681 CD1 LEU A 64 -5.096 4.192 2.957 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.657 6.525 2.135 1.00 0.00 C ATOM 0 H LEU A 64 -6.444 4.000 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.509 4.147 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.293 4.778 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.075 5.987 0.294 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.260 4.690 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.935 4.262 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.976 3.157 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.185 4.526 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.485 6.548 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.771 6.961 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.923 7.099 1.247 1.00 0.00 H new ATOM 693 N ASP A 65 -3.148 1.894 -0.243 1.00 0.00 N ATOM 694 CA ASP A 65 -2.925 0.510 0.143 1.00 0.00 C ATOM 695 C ASP A 65 -2.486 0.458 1.607 1.00 0.00 C ATOM 696 O ASP A 65 -2.359 1.493 2.259 1.00 0.00 O ATOM 697 CB ASP A 65 -1.823 -0.127 -0.706 1.00 0.00 C ATOM 698 CG ASP A 65 -1.823 -1.657 -0.723 1.00 0.00 C ATOM 699 OD1 ASP A 65 -2.937 -2.224 -0.701 1.00 0.00 O ATOM 700 OD2 ASP A 65 -0.710 -2.225 -0.759 1.00 0.00 O ATOM 0 H ASP A 65 -2.388 2.315 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.856 -0.037 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.920 0.233 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.857 0.217 -0.338 1.00 0.00 H new ATOM 704 N GLN A 66 -2.264 -0.759 2.081 1.00 0.00 N ATOM 705 CA GLN A 66 -1.842 -0.961 3.457 1.00 0.00 C ATOM 706 C GLN A 66 -0.549 -0.190 3.733 1.00 0.00 C ATOM 707 O GLN A 66 -0.235 0.109 4.885 1.00 0.00 O ATOM 708 CB GLN A 66 -1.669 -2.450 3.765 1.00 0.00 C ATOM 709 CG GLN A 66 -1.894 -2.732 5.252 1.00 0.00 C ATOM 710 CD GLN A 66 -3.378 -2.960 5.548 1.00 0.00 C ATOM 711 OE1 GLN A 66 -4.204 -2.070 5.431 1.00 0.00 O ATOM 712 NE2 GLN A 66 -3.668 -4.198 5.938 1.00 0.00 N ATOM 0 H GLN A 66 -2.368 -1.615 1.537 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.620 -0.576 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.373 -3.032 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.668 -2.770 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.321 -3.610 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.526 -1.895 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.927 -4.895 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.631 -4.450 6.160 1.00 0.00 H new ATOM 719 N ILE A 67 0.165 0.109 2.658 1.00 0.00 N ATOM 720 CA ILE A 67 1.416 0.838 2.770 1.00 0.00 C ATOM 721 C ILE A 67 1.146 2.335 2.603 1.00 0.00 C ATOM 722 O ILE A 67 1.944 3.050 1.999 1.00 0.00 O ATOM 723 CB ILE A 67 2.449 0.286 1.786 1.00 0.00 C ATOM 724 CG1 ILE A 67 1.825 0.058 0.407 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.107 -0.982 2.334 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.840 0.328 -0.705 1.00 0.00 C ATOM 0 H ILE A 67 -0.099 -0.141 1.705 1.00 0.00 H new ATOM 0 HA ILE A 67 1.849 0.700 3.761 1.00 0.00 H new ATOM 0 HB ILE A 67 3.236 1.030 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.463 -0.967 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.961 0.711 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.837 -1.353 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.608 -0.754 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.345 -1.743 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.371 0.159 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.182 1.361 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.691 -0.343 -0.591 1.00 0.00 H new ATOM 737 N GLY A 68 0.017 2.765 3.148 1.00 0.00 N ATOM 738 CA GLY A 68 -0.369 4.163 3.066 1.00 0.00 C ATOM 739 C GLY A 68 0.179 4.809 1.792 1.00 0.00 C ATOM 740 O GLY A 68 0.665 5.938 1.825 1.00 0.00 O ATOM 0 H GLY A 68 -0.643 2.169 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.456 4.245 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.004 4.699 3.939 1.00 0.00 H new ATOM 744 N THR A 69 0.083 4.064 0.700 1.00 0.00 N ATOM 745 CA THR A 69 0.562 4.551 -0.582 1.00 0.00 C ATOM 746 C THR A 69 -0.615 4.898 -1.495 1.00 0.00 C ATOM 747 O THR A 69 -1.300 4.007 -1.997 1.00 0.00 O ATOM 748 CB THR A 69 1.496 3.491 -1.170 1.00 0.00 C ATOM 749 OG1 THR A 69 2.617 3.490 -0.290 1.00 0.00 O ATOM 750 CG2 THR A 69 2.083 3.911 -2.520 1.00 0.00 C ATOM 0 H THR A 69 -0.319 3.127 0.677 1.00 0.00 H new ATOM 0 HA THR A 69 1.127 5.476 -0.468 1.00 0.00 H new ATOM 0 HB THR A 69 0.953 2.553 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.413 2.945 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.738 3.124 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.275 4.078 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.655 4.831 -2.398 1.00 0.00 H new ATOM 758 N CYS A 70 -0.815 6.194 -1.684 1.00 0.00 N ATOM 759 CA CYS A 70 -1.899 6.670 -2.527 1.00 0.00 C ATOM 760 C CYS A 70 -1.683 6.122 -3.939 1.00 0.00 C ATOM 761 O CYS A 70 -0.755 6.534 -4.634 1.00 0.00 O ATOM 762 CB CYS A 70 -1.996 8.196 -2.516 1.00 0.00 C ATOM 763 SG CYS A 70 -3.672 8.859 -2.829 1.00 0.00 S ATOM 0 H CYS A 70 -0.244 6.930 -1.268 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.851 6.309 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.651 8.561 -1.549 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.316 8.595 -3.269 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.638 10.158 -2.795 1.00 0.00 H new ATOM 767 N TRP A 71 -2.555 5.200 -4.322 1.00 0.00 N ATOM 768 CA TRP A 71 -2.472 4.592 -5.639 1.00 0.00 C ATOM 769 C TRP A 71 -3.531 5.245 -6.529 1.00 0.00 C ATOM 770 O TRP A 71 -4.704 5.302 -6.164 1.00 0.00 O ATOM 771 CB TRP A 71 -2.619 3.072 -5.552 1.00 0.00 C ATOM 772 CG TRP A 71 -1.513 2.386 -4.746 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.562 1.954 -3.479 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.184 2.066 -5.209 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.368 1.383 -3.091 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.497 1.453 -4.178 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.422 2.288 -6.457 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.821 1.011 -4.289 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.745 1.841 -6.553 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.446 1.222 -5.524 1.00 0.00 C ATOM 0 H TRP A 71 -3.322 4.860 -3.743 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.491 4.764 -6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.583 2.835 -5.102 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.629 2.660 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.429 2.042 -2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.158 0.983 -2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.092 2.766 -7.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.332 0.533 -3.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.257 1.987 -7.492 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.467 0.906 -5.677 1.00 0.00 H new ATOM 790 N PRO A 72 -3.067 5.733 -7.711 1.00 0.00 N ATOM 791 CA PRO A 72 -3.961 6.379 -8.657 1.00 0.00 C ATOM 792 C PRO A 72 -4.829 5.349 -9.383 1.00 0.00 C ATOM 793 O PRO A 72 -4.461 4.179 -9.479 1.00 0.00 O ATOM 794 CB PRO A 72 -3.050 7.155 -9.593 1.00 0.00 C ATOM 795 CG PRO A 72 -1.667 6.546 -9.429 1.00 0.00 C ATOM 796 CD PRO A 72 -1.685 5.682 -8.178 1.00 0.00 C ATOM 0 HA PRO A 72 -4.674 7.047 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.392 7.076 -10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.042 8.215 -9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.407 5.948 -10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.913 7.328 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.379 4.659 -8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.998 6.064 -7.423 1.00 0.00 H new ATOM 801 N GLN A 73 -5.965 5.822 -9.876 1.00 0.00 N ATOM 802 CA GLN A 73 -6.887 4.957 -10.591 1.00 0.00 C ATOM 803 C GLN A 73 -6.119 3.999 -11.502 1.00 0.00 C ATOM 804 O GLN A 73 -5.000 4.296 -11.919 1.00 0.00 O ATOM 805 CB GLN A 73 -7.903 5.777 -11.388 1.00 0.00 C ATOM 806 CG GLN A 73 -7.208 6.610 -12.468 1.00 0.00 C ATOM 807 CD GLN A 73 -6.665 7.917 -11.887 1.00 0.00 C ATOM 808 OE1 GLN A 73 -5.469 8.119 -11.758 1.00 0.00 O ATOM 809 NE2 GLN A 73 -7.609 8.789 -11.544 1.00 0.00 N ATOM 0 H GLN A 73 -6.267 6.793 -9.794 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.440 4.366 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.631 5.111 -11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.454 6.434 -10.715 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.392 6.036 -12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.911 6.829 -13.272 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.593 8.555 -11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.349 9.691 -11.146 1.00 0.00 H new ATOM 816 N SER A 74 -6.749 2.869 -11.787 1.00 0.00 N ATOM 817 CA SER A 74 -6.138 1.865 -12.642 1.00 0.00 C ATOM 818 C SER A 74 -7.213 0.933 -13.205 1.00 0.00 C ATOM 819 O SER A 74 -8.372 1.000 -12.800 1.00 0.00 O ATOM 820 CB SER A 74 -5.084 1.060 -11.880 1.00 0.00 C ATOM 821 OG SER A 74 -4.417 1.848 -10.897 1.00 0.00 O ATOM 0 H SER A 74 -7.677 2.626 -11.441 1.00 0.00 H new ATOM 0 HA SER A 74 -5.640 2.375 -13.467 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.559 0.205 -11.398 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.352 0.663 -12.584 1.00 0.00 H new ATOM 0 HG SER A 74 -3.753 1.297 -10.432 1.00 0.00 H new ATOM 826 N ALA A 75 -6.790 0.085 -14.131 1.00 0.00 N ATOM 827 CA ALA A 75 -7.701 -0.859 -14.754 1.00 0.00 C ATOM 828 C ALA A 75 -7.569 -2.219 -14.066 1.00 0.00 C ATOM 829 O ALA A 75 -6.599 -2.465 -13.350 1.00 0.00 O ATOM 830 CB ALA A 75 -7.411 -0.935 -16.256 1.00 0.00 C ATOM 0 H ALA A 75 -5.828 0.032 -14.465 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.733 -0.529 -14.637 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.095 -1.644 -16.723 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.547 0.050 -16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.384 -1.265 -16.412 1.00 0.00 H new ATOM 836 N PRO A 76 -8.586 -3.088 -14.312 1.00 0.00 N ATOM 837 CA PRO A 76 -8.592 -4.417 -13.724 1.00 0.00 C ATOM 838 C PRO A 76 -7.591 -5.334 -14.428 1.00 0.00 C ATOM 839 O PRO A 76 -7.371 -5.210 -15.632 1.00 0.00 O ATOM 840 CB PRO A 76 -10.029 -4.896 -13.852 1.00 0.00 C ATOM 841 CG PRO A 76 -10.668 -4.020 -14.917 1.00 0.00 C ATOM 842 CD PRO A 76 -9.751 -2.832 -15.154 1.00 0.00 C ATOM 0 HA PRO A 76 -8.277 -4.417 -12.681 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.066 -5.947 -14.137 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.557 -4.805 -12.903 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.810 -4.583 -15.840 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.653 -3.683 -14.594 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.470 -2.752 -16.204 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.238 -1.896 -14.882 1.00 0.00 H new ATOM 847 N GLY A 77 -7.011 -6.234 -13.648 1.00 0.00 N ATOM 848 CA GLY A 77 -6.037 -7.171 -14.182 1.00 0.00 C ATOM 849 C GLY A 77 -4.810 -6.437 -14.726 1.00 0.00 C ATOM 850 O GLY A 77 -4.127 -6.938 -15.619 1.00 0.00 O ATOM 0 H GLY A 77 -7.197 -6.334 -12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.732 -7.868 -13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.493 -7.762 -14.976 1.00 0.00 H new ATOM 854 N ALA A 78 -4.567 -5.261 -14.167 1.00 0.00 N ATOM 855 CA ALA A 78 -3.434 -4.453 -14.585 1.00 0.00 C ATOM 856 C ALA A 78 -2.203 -4.845 -13.766 1.00 0.00 C ATOM 857 O ALA A 78 -2.078 -5.991 -13.337 1.00 0.00 O ATOM 858 CB ALA A 78 -3.783 -2.970 -14.440 1.00 0.00 C ATOM 0 H ALA A 78 -5.136 -4.848 -13.428 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.202 -4.632 -15.635 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.933 -2.364 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.645 -2.736 -15.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.020 -2.752 -13.399 1.00 0.00 H new ATOM 864 N LEU A 79 -1.326 -3.870 -13.572 1.00 0.00 N ATOM 865 CA LEU A 79 -0.109 -4.100 -12.811 1.00 0.00 C ATOM 866 C LEU A 79 0.440 -2.759 -12.321 1.00 0.00 C ATOM 867 O LEU A 79 0.899 -1.943 -13.120 1.00 0.00 O ATOM 868 CB LEU A 79 0.892 -4.912 -13.635 1.00 0.00 C ATOM 869 CG LEU A 79 1.387 -6.212 -12.997 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.979 -7.424 -13.836 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.897 -6.165 -12.756 1.00 0.00 C ATOM 0 H LEU A 79 -1.434 -2.920 -13.928 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.319 -4.701 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.433 -5.153 -14.594 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.756 -4.281 -13.845 1.00 0.00 H new ATOM 0 HG LEU A 79 0.909 -6.318 -12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.343 -8.335 -13.361 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.108 -7.464 -13.913 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.410 -7.338 -14.833 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.222 -7.101 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.413 -6.024 -13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.133 -5.337 -12.088 1.00 0.00 H new ATOM 882 N VAL A 80 0.377 -2.572 -11.011 1.00 0.00 N ATOM 883 CA VAL A 80 0.863 -1.344 -10.406 1.00 0.00 C ATOM 884 C VAL A 80 2.230 -1.601 -9.767 1.00 0.00 C ATOM 885 O VAL A 80 2.449 -1.263 -8.604 1.00 0.00 O ATOM 886 CB VAL A 80 -0.169 -0.805 -9.413 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.383 0.400 -8.648 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.478 -0.453 -10.121 1.00 0.00 C ATOM 0 H VAL A 80 -0.003 -3.251 -10.352 1.00 0.00 H new ATOM 0 HA VAL A 80 0.998 -0.573 -11.164 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.381 -1.592 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.370 0.764 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.276 0.104 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.637 1.192 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.194 -0.072 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.289 0.309 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.885 -1.345 -10.598 1.00 0.00 H new ATOM 898 N GLU A 81 3.113 -2.198 -10.554 1.00 0.00 N ATOM 899 CA GLU A 81 4.451 -2.505 -10.080 1.00 0.00 C ATOM 900 C GLU A 81 5.360 -1.283 -10.226 1.00 0.00 C ATOM 901 O GLU A 81 5.284 -0.564 -11.222 1.00 0.00 O ATOM 902 CB GLU A 81 5.032 -3.712 -10.820 1.00 0.00 C ATOM 903 CG GLU A 81 5.229 -3.401 -12.305 1.00 0.00 C ATOM 904 CD GLU A 81 6.713 -3.235 -12.638 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.346 -2.372 -11.993 1.00 0.00 O ATOM 906 OE2 GLU A 81 7.181 -3.974 -13.531 1.00 0.00 O ATOM 0 H GLU A 81 2.927 -2.477 -11.517 1.00 0.00 H new ATOM 0 HA GLU A 81 4.390 -2.763 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.986 -3.992 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.365 -4.567 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.805 -4.204 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.690 -2.490 -12.564 1.00 0.00 H new ATOM 911 N ARG A 82 6.198 -1.084 -9.220 1.00 0.00 N ATOM 912 CA ARG A 82 7.120 0.039 -9.223 1.00 0.00 C ATOM 913 C ARG A 82 8.109 -0.082 -8.063 1.00 0.00 C ATOM 914 O ARG A 82 7.860 0.433 -6.973 1.00 0.00 O ATOM 915 CB ARG A 82 6.370 1.368 -9.109 1.00 0.00 C ATOM 916 CG ARG A 82 5.291 1.297 -8.026 1.00 0.00 C ATOM 917 CD ARG A 82 4.619 2.658 -7.831 1.00 0.00 C ATOM 918 NE ARG A 82 3.731 2.953 -8.977 1.00 0.00 N ATOM 919 CZ ARG A 82 3.329 4.184 -9.318 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.733 5.244 -8.603 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.522 4.358 -10.374 1.00 0.00 N ATOM 0 H ARG A 82 6.258 -1.682 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 82 7.661 0.020 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.073 2.168 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.913 1.615 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.543 0.554 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.735 0.969 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.044 2.659 -6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.376 3.436 -7.737 1.00 0.00 H new ATOM 0 HE ARG A 82 3.405 2.170 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.347 5.113 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.427 6.181 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.214 3.552 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.216 5.296 -10.633 1.00 0.00 H new ATOM 1166 N ALA A 99 7.321 -1.329 -5.338 1.00 0.00 N ATOM 1167 CA ALA A 99 6.034 -1.989 -5.483 1.00 0.00 C ATOM 1168 C ALA A 99 6.143 -3.079 -6.550 1.00 0.00 C ATOM 1169 O ALA A 99 7.143 -3.158 -7.263 1.00 0.00 O ATOM 1170 CB ALA A 99 4.963 -0.949 -5.820 1.00 0.00 C ATOM 0 HA ALA A 99 5.741 -2.469 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.998 -1.443 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.906 -0.213 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.222 -0.449 -6.753 1.00 0.00 H new ATOM 1176 N TYR A 100 5.101 -3.894 -6.627 1.00 0.00 N ATOM 1177 CA TYR A 100 5.067 -4.976 -7.595 1.00 0.00 C ATOM 1178 C TYR A 100 3.861 -5.888 -7.356 1.00 0.00 C ATOM 1179 O TYR A 100 4.010 -7.104 -7.245 1.00 0.00 O ATOM 1180 CB TYR A 100 6.350 -5.781 -7.374 1.00 0.00 C ATOM 1181 CG TYR A 100 7.155 -6.032 -8.652 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.699 -6.941 -9.585 1.00 0.00 C ATOM 1183 CD2 TYR A 100 8.334 -5.351 -8.870 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.456 -7.178 -10.787 1.00 0.00 C ATOM 1185 CE2 TYR A 100 9.091 -5.588 -10.072 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.614 -6.490 -10.971 1.00 0.00 C ATOM 1187 OH TYR A 100 9.330 -6.714 -12.107 1.00 0.00 O ATOM 0 H TYR A 100 4.274 -3.826 -6.034 1.00 0.00 H new ATOM 0 HA TYR A 100 4.990 -4.581 -8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.980 -5.253 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.092 -6.740 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.775 -7.474 -9.414 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.690 -4.640 -8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.111 -7.886 -11.526 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.016 -5.062 -10.255 1.00 0.00 H new ATOM 0 HH TYR A 100 10.133 -6.152 -12.104 1.00 0.00 H new ATOM 1196 N ARG A 101 2.694 -5.265 -7.285 1.00 0.00 N ATOM 1197 CA ARG A 101 1.464 -6.004 -7.061 1.00 0.00 C ATOM 1198 C ARG A 101 0.699 -6.172 -8.375 1.00 0.00 C ATOM 1199 O ARG A 101 1.257 -5.969 -9.453 1.00 0.00 O ATOM 1200 CB ARG A 101 0.569 -5.291 -6.045 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.009 -4.003 -6.634 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.515 -3.909 -6.377 1.00 0.00 C ATOM 1203 NE ARG A 101 -1.770 -3.149 -5.133 1.00 0.00 N ATOM 1204 CZ ARG A 101 -1.386 -1.880 -4.938 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -0.728 -1.222 -5.902 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -1.661 -1.269 -3.778 1.00 0.00 N ATOM 0 H ARG A 101 2.575 -4.256 -7.379 1.00 0.00 H new ATOM 0 HA ARG A 101 1.734 -6.983 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.242 -5.953 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.143 -5.059 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.493 -3.141 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.183 -3.971 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.006 -3.420 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.941 -4.909 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.268 -3.620 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.519 -1.687 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.436 -0.256 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.162 -1.770 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.369 -0.303 -3.629 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.567 -6.541 -8.243 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.414 -6.738 -9.408 1.00 0.00 C ATOM 1219 C GLU A 102 -2.877 -6.469 -9.051 1.00 0.00 C ATOM 1220 O GLU A 102 -3.336 -6.844 -7.973 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.239 -8.147 -9.981 1.00 0.00 C ATOM 1222 CG GLU A 102 -0.852 -9.140 -8.884 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.528 -10.513 -9.478 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.315 -10.959 -10.340 1.00 0.00 O ATOM 1225 OE2 GLU A 102 0.500 -11.086 -9.056 1.00 0.00 O ATOM 0 H GLU A 102 -1.027 -6.709 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.112 -6.028 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.166 -8.468 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.471 -8.136 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.012 -8.764 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.668 -9.233 -8.168 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.569 -5.822 -9.977 1.00 0.00 N ATOM 1231 CA CYS A 103 -4.971 -5.498 -9.775 1.00 0.00 C ATOM 1232 C CYS A 103 -5.812 -6.678 -10.264 1.00 0.00 C ATOM 1233 O CYS A 103 -5.521 -7.262 -11.306 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.357 -4.192 -10.472 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.206 -2.973 -9.403 1.00 0.00 S ATOM 0 H CYS A 103 -3.185 -5.513 -10.870 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.160 -5.335 -8.714 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.455 -3.733 -10.878 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.004 -4.425 -11.318 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.840 -6.993 -9.490 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.727 -8.092 -9.833 1.00 0.00 C ATOM 1241 C LEU A 104 -8.526 -7.726 -11.084 1.00 0.00 C ATOM 1242 O LEU A 104 -8.700 -6.547 -11.391 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.599 -8.471 -8.634 1.00 0.00 C ATOM 1244 CG LEU A 104 -8.244 -9.785 -7.935 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.563 -10.985 -8.828 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.784 -9.784 -7.476 1.00 0.00 C ATOM 0 H LEU A 104 -7.079 -6.506 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.151 -8.986 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.544 -7.666 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.635 -8.528 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.863 -9.875 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.301 -11.906 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.627 -10.991 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.988 -10.914 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.557 -10.729 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.131 -9.660 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.622 -8.962 -6.778 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.994 -8.757 -11.773 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.771 -8.558 -12.983 1.00 0.00 C ATOM 1259 C GLU A 105 -11.202 -8.145 -12.633 1.00 0.00 C ATOM 1260 O GLU A 105 -12.033 -7.958 -13.522 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.761 -9.816 -13.855 1.00 0.00 C ATOM 1262 CG GLU A 105 -8.944 -9.594 -15.129 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.046 -10.802 -16.063 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.573 -11.882 -15.647 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.593 -10.617 -17.171 1.00 0.00 O ATOM 0 H GLU A 105 -8.849 -9.733 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.312 -7.754 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.343 -10.650 -13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.783 -10.089 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.300 -8.701 -15.643 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.900 -9.417 -14.870 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.446 -8.015 -11.338 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.762 -7.627 -10.860 1.00 0.00 C ATOM 1272 C ASN A 106 -12.756 -6.137 -10.513 1.00 0.00 C ATOM 1273 O ASN A 106 -13.766 -5.596 -10.065 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.140 -8.405 -9.596 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.564 -8.957 -9.698 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.490 -8.478 -9.065 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.686 -9.989 -10.528 1.00 0.00 N ATOM 0 H ASN A 106 -10.755 -8.171 -10.604 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.484 -7.844 -11.647 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.438 -9.225 -9.446 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.060 -7.753 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.596 -10.428 -10.665 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.869 -10.341 -11.028 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.607 -5.516 -10.734 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.456 -4.099 -10.451 1.00 0.00 C ATOM 1285 C GLY A 107 -11.174 -3.863 -8.966 1.00 0.00 C ATOM 1286 O GLY A 107 -11.645 -2.885 -8.388 1.00 0.00 O ATOM 0 H GLY A 107 -10.772 -5.968 -11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.642 -3.690 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.362 -3.568 -10.741 1.00 0.00 H new ATOM 1290 N THR A 108 -10.406 -4.776 -8.391 1.00 0.00 N ATOM 1291 CA THR A 108 -10.055 -4.681 -6.984 1.00 0.00 C ATOM 1292 C THR A 108 -8.541 -4.806 -6.802 1.00 0.00 C ATOM 1293 O THR A 108 -7.897 -5.614 -7.468 1.00 0.00 O ATOM 1294 CB THR A 108 -10.848 -5.746 -6.225 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.474 -6.969 -6.851 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.354 -5.644 -6.476 1.00 0.00 C ATOM 0 H THR A 108 -10.017 -5.586 -8.874 1.00 0.00 H new ATOM 0 HA THR A 108 -10.320 -3.706 -6.576 1.00 0.00 H new ATOM 0 HB THR A 108 -10.651 -5.653 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.942 -7.714 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.870 -6.422 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.711 -4.666 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.555 -5.771 -7.540 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.017 -3.993 -5.896 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.591 -4.003 -5.618 1.00 0.00 C ATOM 1306 C TRP A 109 -6.198 -5.424 -5.210 1.00 0.00 C ATOM 1307 O TRP A 109 -7.002 -6.348 -5.317 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.231 -2.957 -4.561 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.001 -1.554 -5.126 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.742 -0.455 -4.935 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.921 -1.142 -5.990 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.222 0.630 -5.608 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.079 0.200 -6.271 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.845 -1.879 -6.518 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.198 0.922 -7.087 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.975 -1.143 -7.331 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.120 0.208 -7.622 1.00 0.00 C ATOM 0 H TRP A 109 -8.554 -3.323 -5.345 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.024 -3.727 -6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.030 -2.913 -3.821 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.330 -3.279 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.636 -0.423 -4.329 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.606 1.575 -5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.702 -2.929 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.343 1.972 -7.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.132 -1.662 -7.762 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.403 0.705 -8.259 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.962 -5.554 -4.752 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.452 -6.847 -4.327 1.00 0.00 C ATOM 1329 C ALA A 110 -4.523 -6.943 -2.802 1.00 0.00 C ATOM 1330 O ALA A 110 -5.042 -6.043 -2.144 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.030 -7.036 -4.859 1.00 0.00 C ATOM 0 H ALA A 110 -4.298 -4.785 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.062 -7.653 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.648 -8.006 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.040 -6.990 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.388 -6.247 -4.469 1.00 0.00 H new ATOM 1337 N SER A 111 -3.992 -8.041 -2.285 1.00 0.00 N ATOM 1338 CA SER A 111 -3.987 -8.265 -0.849 1.00 0.00 C ATOM 1339 C SER A 111 -2.771 -7.585 -0.217 1.00 0.00 C ATOM 1340 O SER A 111 -2.915 -6.772 0.694 1.00 0.00 O ATOM 1341 CB SER A 111 -3.987 -9.760 -0.525 1.00 0.00 C ATOM 1342 OG SER A 111 -5.027 -10.110 0.383 1.00 0.00 O ATOM 0 H SER A 111 -3.562 -8.785 -2.834 1.00 0.00 H new ATOM 0 HA SER A 111 -4.895 -7.830 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.103 -10.330 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.024 -10.038 -0.097 1.00 0.00 H new ATOM 0 HG SER A 111 -4.994 -11.073 0.563 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.602 -7.944 -0.726 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.362 -7.378 -0.222 1.00 0.00 C ATOM 1349 C ARG A 112 0.669 -7.274 -1.348 1.00 0.00 C ATOM 1350 O ARG A 112 1.012 -8.275 -1.976 1.00 0.00 O ATOM 1351 CB ARG A 112 0.214 -8.232 0.909 1.00 0.00 C ATOM 1352 CG ARG A 112 0.745 -7.353 2.043 1.00 0.00 C ATOM 1353 CD ARG A 112 2.082 -7.882 2.566 1.00 0.00 C ATOM 1354 NE ARG A 112 2.281 -7.458 3.970 1.00 0.00 N ATOM 1355 CZ ARG A 112 3.473 -7.413 4.581 1.00 0.00 C ATOM 1356 NH1 ARG A 112 4.580 -7.767 3.914 1.00 0.00 N ATOM 1357 NH2 ARG A 112 3.557 -7.015 5.857 1.00 0.00 N ATOM 0 H ARG A 112 -1.487 -8.619 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.585 -6.384 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.556 -8.901 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.018 -8.859 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.868 -6.330 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.019 -7.323 2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.103 -8.970 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.897 -7.509 1.946 1.00 0.00 H new ATOM 0 HE ARG A 112 1.459 -7.182 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.515 -8.070 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.488 -7.733 4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.714 -6.746 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.464 -6.981 6.322 1.00 0.00 H new ATOM 1368 N VAL A 113 1.137 -6.054 -1.569 1.00 0.00 N ATOM 1369 CA VAL A 113 2.122 -5.806 -2.607 1.00 0.00 C ATOM 1370 C VAL A 113 3.488 -6.311 -2.139 1.00 0.00 C ATOM 1371 O VAL A 113 3.711 -6.490 -0.943 1.00 0.00 O ATOM 1372 CB VAL A 113 2.128 -4.322 -2.979 1.00 0.00 C ATOM 1373 CG1 VAL A 113 3.021 -4.065 -4.195 1.00 0.00 C ATOM 1374 CG2 VAL A 113 0.707 -3.813 -3.226 1.00 0.00 C ATOM 0 H VAL A 113 0.852 -5.226 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 113 1.867 -6.353 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 113 2.541 -3.767 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.007 -3.003 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.042 -4.372 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.651 -4.637 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.740 -2.756 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.256 -4.376 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.111 -3.944 -2.323 1.00 0.00 H new