USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 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 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.8!) USER MOD Single : A 62 THR OG1 : rot -175:sc= -1.2 USER MOD Single : A 63 THR OG1 : rot 24:sc= 0.258 USER MOD Single : A 66 GLN : amide:sc=-0.00144 K(o=-0.0014,f=-0.76) USER MOD Single : A 69 THR OG1 : rot -107:sc= -0.662 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -3.63 K(o=-3.6,f=-8.4!) USER MOD Single : A 74 SER OG : rot -13:sc= -1.77 USER MOD Single : A 100 TYR OH : rot 180:sc=-0.00241 USER MOD Single : A 106 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.023) USER MOD Single : A 108 THR OG1 : rot -100:sc= -1.19 USER MOD Single : A 111 SER OG : rot 180:sc= -0.626 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -16.044 -0.898 -15.143 1.00 0.00 N ATOM 592 CA THR A 58 -15.462 -1.602 -14.012 1.00 0.00 C ATOM 593 C THR A 58 -13.961 -1.314 -13.920 1.00 0.00 C ATOM 594 O THR A 58 -13.150 -2.037 -14.496 1.00 0.00 O ATOM 595 CB THR A 58 -15.787 -3.089 -14.164 1.00 0.00 C ATOM 596 OG1 THR A 58 -15.043 -3.714 -13.121 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.206 -3.689 -15.446 1.00 0.00 C ATOM 0 HA THR A 58 -15.886 -1.256 -13.069 1.00 0.00 H new ATOM 0 HB THR A 58 -16.868 -3.226 -14.157 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.196 -4.682 -13.144 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.466 -4.746 -15.504 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.616 -3.167 -16.310 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.121 -3.582 -15.438 1.00 0.00 H new ATOM 605 N TYR A 59 -13.639 -0.257 -13.190 1.00 0.00 N ATOM 606 CA TYR A 59 -12.250 0.135 -13.014 1.00 0.00 C ATOM 607 C TYR A 59 -11.851 0.091 -11.537 1.00 0.00 C ATOM 608 O TYR A 59 -12.692 -0.139 -10.669 1.00 0.00 O ATOM 609 CB TYR A 59 -12.153 1.579 -13.513 1.00 0.00 C ATOM 610 CG TYR A 59 -11.199 1.765 -14.694 1.00 0.00 C ATOM 611 CD1 TYR A 59 -11.556 1.310 -15.948 1.00 0.00 C ATOM 612 CD2 TYR A 59 -9.983 2.390 -14.507 1.00 0.00 C ATOM 613 CE1 TYR A 59 -10.658 1.486 -17.060 1.00 0.00 C ATOM 614 CE2 TYR A 59 -9.085 2.565 -15.618 1.00 0.00 C ATOM 615 CZ TYR A 59 -9.466 2.106 -16.840 1.00 0.00 C ATOM 616 OH TYR A 59 -8.619 2.271 -17.890 1.00 0.00 O ATOM 0 H TYR A 59 -14.315 0.340 -12.714 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.589 -0.541 -13.557 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.147 1.920 -13.804 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.826 2.216 -12.691 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.508 0.822 -16.095 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.705 2.748 -13.527 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.924 1.134 -18.046 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.129 3.050 -15.484 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.808 2.729 -17.587 1.00 0.00 H new ATOM 625 N CYS A 60 -10.567 0.315 -11.298 1.00 0.00 N ATOM 626 CA CYS A 60 -10.046 0.304 -9.941 1.00 0.00 C ATOM 627 C CYS A 60 -10.178 1.715 -9.364 1.00 0.00 C ATOM 628 O CYS A 60 -10.124 2.698 -10.101 1.00 0.00 O ATOM 629 CB CYS A 60 -8.602 -0.200 -9.895 1.00 0.00 C ATOM 630 SG CYS A 60 -8.383 -1.950 -10.381 1.00 0.00 S ATOM 0 H CYS A 60 -9.872 0.505 -12.020 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.624 -0.391 -9.332 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.994 0.423 -10.551 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.218 -0.068 -8.883 1.00 0.00 H new ATOM 634 N ASN A 61 -10.347 1.769 -8.051 1.00 0.00 N ATOM 635 CA ASN A 61 -10.488 3.042 -7.367 1.00 0.00 C ATOM 636 C ASN A 61 -9.201 3.347 -6.597 1.00 0.00 C ATOM 637 O ASN A 61 -8.409 2.445 -6.324 1.00 0.00 O ATOM 638 CB ASN A 61 -11.642 3.005 -6.364 1.00 0.00 C ATOM 639 CG ASN A 61 -11.834 4.369 -5.698 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.166 4.720 -4.738 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.782 5.116 -6.257 1.00 0.00 N ATOM 0 H ASN A 61 -10.389 0.951 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.688 3.807 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.561 2.712 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.443 2.250 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.987 6.043 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.304 4.762 -7.059 1.00 0.00 H new ATOM 647 N THR A 62 -9.033 4.619 -6.268 1.00 0.00 N ATOM 648 CA THR A 62 -7.856 5.053 -5.534 1.00 0.00 C ATOM 649 C THR A 62 -7.922 4.567 -4.085 1.00 0.00 C ATOM 650 O THR A 62 -8.869 4.878 -3.364 1.00 0.00 O ATOM 651 CB THR A 62 -7.754 6.574 -5.661 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.141 6.776 -6.931 1.00 0.00 O ATOM 653 CG2 THR A 62 -6.761 7.179 -4.666 1.00 0.00 C ATOM 0 H THR A 62 -9.692 5.363 -6.496 1.00 0.00 H new ATOM 0 HA THR A 62 -6.948 4.616 -5.949 1.00 0.00 H new ATOM 0 HB THR A 62 -8.737 7.018 -5.507 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.965 7.731 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.727 8.260 -4.798 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.078 6.948 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.770 6.760 -4.841 1.00 0.00 H new ATOM 661 N THR A 63 -6.904 3.812 -3.700 1.00 0.00 N ATOM 662 CA THR A 63 -6.835 3.279 -2.350 1.00 0.00 C ATOM 663 C THR A 63 -5.387 3.271 -1.854 1.00 0.00 C ATOM 664 O THR A 63 -4.454 3.190 -2.652 1.00 0.00 O ATOM 665 CB THR A 63 -7.483 1.894 -2.354 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.855 2.153 -2.064 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.014 1.024 -1.186 1.00 0.00 C ATOM 0 H THR A 63 -6.120 3.556 -4.300 1.00 0.00 H new ATOM 0 HA THR A 63 -7.383 3.907 -1.648 1.00 0.00 H new ATOM 0 HB THR A 63 -7.258 1.391 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.077 3.072 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.505 0.052 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.934 0.889 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.269 1.511 -0.245 1.00 0.00 H new ATOM 675 N LEU A 64 -5.245 3.355 -0.540 1.00 0.00 N ATOM 676 CA LEU A 64 -3.926 3.358 0.072 1.00 0.00 C ATOM 677 C LEU A 64 -3.776 2.117 0.955 1.00 0.00 C ATOM 678 O LEU A 64 -4.679 1.782 1.720 1.00 0.00 O ATOM 679 CB LEU A 64 -3.683 4.673 0.814 1.00 0.00 C ATOM 680 CG LEU A 64 -4.727 5.053 1.866 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.488 4.297 3.175 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.765 6.568 2.078 1.00 0.00 C ATOM 0 H LEU A 64 -6.021 3.422 0.119 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.151 3.302 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.709 4.618 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.627 5.477 0.080 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.708 4.754 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.244 4.586 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.551 3.224 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.498 4.542 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.515 6.811 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.788 6.913 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.019 7.060 1.139 1.00 0.00 H new ATOM 693 N ASP A 65 -2.629 1.468 0.819 1.00 0.00 N ATOM 694 CA ASP A 65 -2.349 0.273 1.594 1.00 0.00 C ATOM 695 C ASP A 65 -1.518 0.649 2.823 1.00 0.00 C ATOM 696 O ASP A 65 -1.225 1.823 3.043 1.00 0.00 O ATOM 697 CB ASP A 65 -1.547 -0.740 0.774 1.00 0.00 C ATOM 698 CG ASP A 65 -1.690 -2.196 1.225 1.00 0.00 C ATOM 699 OD1 ASP A 65 -2.464 -2.420 2.181 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.022 -3.049 0.605 1.00 0.00 O ATOM 0 H ASP A 65 -1.883 1.748 0.183 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.301 -0.170 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.856 -0.666 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.493 -0.465 0.815 1.00 0.00 H new ATOM 704 N GLN A 66 -1.162 -0.369 3.592 1.00 0.00 N ATOM 705 CA GLN A 66 -0.372 -0.160 4.793 1.00 0.00 C ATOM 706 C GLN A 66 1.015 0.375 4.429 1.00 0.00 C ATOM 707 O GLN A 66 1.763 0.815 5.301 1.00 0.00 O ATOM 708 CB GLN A 66 -0.265 -1.448 5.611 1.00 0.00 C ATOM 709 CG GLN A 66 -1.444 -1.584 6.577 1.00 0.00 C ATOM 710 CD GLN A 66 -1.608 -3.032 7.041 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.739 -3.870 6.866 1.00 0.00 O ATOM 712 NE2 GLN A 66 -2.769 -3.279 7.641 1.00 0.00 N ATOM 0 H GLN A 66 -1.406 -1.342 3.406 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.876 0.583 5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.238 -2.307 4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.670 -1.451 6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.288 -0.937 7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.359 -1.249 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.453 -2.531 7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.975 -4.216 7.987 1.00 0.00 H new ATOM 719 N ILE A 67 1.316 0.320 3.140 1.00 0.00 N ATOM 720 CA ILE A 67 2.599 0.793 2.650 1.00 0.00 C ATOM 721 C ILE A 67 2.419 2.169 2.006 1.00 0.00 C ATOM 722 O ILE A 67 3.040 2.469 0.988 1.00 0.00 O ATOM 723 CB ILE A 67 3.231 -0.243 1.718 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.955 -1.665 2.210 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.729 0.021 1.541 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.420 -2.701 1.184 1.00 0.00 C ATOM 0 H ILE A 67 0.693 -0.045 2.420 1.00 0.00 H new ATOM 0 HA ILE A 67 3.300 0.916 3.476 1.00 0.00 H new ATOM 0 HB ILE A 67 2.768 -0.147 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.467 -1.831 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.888 -1.788 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.154 -0.729 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.876 1.012 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.225 -0.032 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.212 -3.703 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.888 -2.547 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.491 -2.592 1.016 1.00 0.00 H new ATOM 737 N GLY A 68 1.564 2.970 2.627 1.00 0.00 N ATOM 738 CA GLY A 68 1.295 4.307 2.128 1.00 0.00 C ATOM 739 C GLY A 68 1.338 4.341 0.599 1.00 0.00 C ATOM 740 O GLY A 68 1.818 5.308 0.009 1.00 0.00 O ATOM 0 H GLY A 68 1.049 2.718 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.316 4.638 2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.029 5.004 2.532 1.00 0.00 H new ATOM 744 N THR A 69 0.831 3.273 0.000 1.00 0.00 N ATOM 745 CA THR A 69 0.806 3.169 -1.449 1.00 0.00 C ATOM 746 C THR A 69 -0.474 3.793 -2.006 1.00 0.00 C ATOM 747 O THR A 69 -1.502 3.124 -2.110 1.00 0.00 O ATOM 748 CB THR A 69 0.975 1.694 -1.819 1.00 0.00 C ATOM 749 OG1 THR A 69 0.308 0.994 -0.772 1.00 0.00 O ATOM 750 CG2 THR A 69 2.427 1.226 -1.713 1.00 0.00 C ATOM 0 H THR A 69 0.434 2.472 0.492 1.00 0.00 H new ATOM 0 HA THR A 69 1.625 3.728 -1.901 1.00 0.00 H new ATOM 0 HB THR A 69 0.615 1.532 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.971 0.568 -0.190 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.491 0.173 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.049 1.814 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.778 1.357 -0.689 1.00 0.00 H new ATOM 758 N CYS A 70 -0.372 5.067 -2.352 1.00 0.00 N ATOM 759 CA CYS A 70 -1.509 5.790 -2.897 1.00 0.00 C ATOM 760 C CYS A 70 -1.578 5.512 -4.400 1.00 0.00 C ATOM 761 O CYS A 70 -0.935 6.199 -5.191 1.00 0.00 O ATOM 762 CB CYS A 70 -1.426 7.287 -2.596 1.00 0.00 C ATOM 763 SG CYS A 70 -3.027 8.084 -2.212 1.00 0.00 S ATOM 0 H CYS A 70 0.482 5.619 -2.266 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.426 5.443 -2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.751 7.437 -1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.982 7.791 -3.454 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.836 9.347 -1.972 1.00 0.00 H new ATOM 767 N TRP A 71 -2.365 4.505 -4.748 1.00 0.00 N ATOM 768 CA TRP A 71 -2.527 4.129 -6.142 1.00 0.00 C ATOM 769 C TRP A 71 -3.681 4.949 -6.722 1.00 0.00 C ATOM 770 O TRP A 71 -4.832 4.774 -6.325 1.00 0.00 O ATOM 771 CB TRP A 71 -2.738 2.620 -6.282 1.00 0.00 C ATOM 772 CG TRP A 71 -1.580 1.777 -5.740 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.607 0.885 -4.740 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.216 1.785 -6.212 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.365 0.319 -4.534 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.508 0.884 -5.458 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.386 2.528 -7.242 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.873 0.642 -5.654 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.751 2.275 -7.425 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.493 1.372 -6.674 1.00 0.00 C ATOM 0 H TRP A 71 -2.898 3.938 -4.089 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.622 4.351 -6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.653 2.341 -5.759 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.887 2.380 -7.335 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.489 0.640 -4.167 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.131 -0.384 -3.833 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.161 3.238 -7.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.418 -0.069 -5.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.263 2.820 -8.204 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.545 1.234 -6.877 1.00 0.00 H new ATOM 790 N PRO A 72 -3.323 5.849 -7.677 1.00 0.00 N ATOM 791 CA PRO A 72 -4.315 6.697 -8.315 1.00 0.00 C ATOM 792 C PRO A 72 -5.146 5.903 -9.326 1.00 0.00 C ATOM 793 O PRO A 72 -4.878 5.946 -10.526 1.00 0.00 O ATOM 794 CB PRO A 72 -3.518 7.822 -8.955 1.00 0.00 C ATOM 795 CG PRO A 72 -2.087 7.318 -9.050 1.00 0.00 C ATOM 796 CD PRO A 72 -1.970 6.083 -8.172 1.00 0.00 C ATOM 0 HA PRO A 72 -5.045 7.095 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.912 8.067 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.573 8.730 -8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.834 7.078 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.388 8.088 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.603 5.228 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.271 6.245 -7.352 1.00 0.00 H new ATOM 801 N GLN A 73 -6.137 5.196 -8.804 1.00 0.00 N ATOM 802 CA GLN A 73 -7.009 4.393 -9.645 1.00 0.00 C ATOM 803 C GLN A 73 -6.181 3.450 -10.519 1.00 0.00 C ATOM 804 O GLN A 73 -4.959 3.577 -10.592 1.00 0.00 O ATOM 805 CB GLN A 73 -7.913 5.282 -10.502 1.00 0.00 C ATOM 806 CG GLN A 73 -7.324 5.476 -11.901 1.00 0.00 C ATOM 807 CD GLN A 73 -8.080 4.640 -12.936 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.601 3.631 -13.426 1.00 0.00 O ATOM 809 NE2 GLN A 73 -9.285 5.115 -13.238 1.00 0.00 N ATOM 0 H GLN A 73 -6.356 5.162 -7.808 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.650 3.791 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.903 4.833 -10.579 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.040 6.251 -10.019 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.370 6.530 -12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.271 5.193 -11.899 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.625 5.966 -12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.869 4.628 -13.918 1.00 0.00 H new ATOM 816 N SER A 74 -6.879 2.523 -11.159 1.00 0.00 N ATOM 817 CA SER A 74 -6.222 1.557 -12.025 1.00 0.00 C ATOM 818 C SER A 74 -7.268 0.775 -12.822 1.00 0.00 C ATOM 819 O SER A 74 -8.456 1.089 -12.771 1.00 0.00 O ATOM 820 CB SER A 74 -5.345 0.599 -11.216 1.00 0.00 C ATOM 821 OG SER A 74 -4.306 1.284 -10.522 1.00 0.00 O ATOM 0 H SER A 74 -7.892 2.420 -11.096 1.00 0.00 H new ATOM 0 HA SER A 74 -5.577 2.099 -12.717 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.964 0.058 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.907 -0.143 -11.884 1.00 0.00 H new ATOM 0 HG SER A 74 -4.234 2.200 -10.863 1.00 0.00 H new ATOM 826 N ALA A 75 -6.787 -0.229 -13.541 1.00 0.00 N ATOM 827 CA ALA A 75 -7.665 -1.058 -14.349 1.00 0.00 C ATOM 828 C ALA A 75 -7.565 -2.511 -13.876 1.00 0.00 C ATOM 829 O ALA A 75 -6.573 -2.900 -13.264 1.00 0.00 O ATOM 830 CB ALA A 75 -7.301 -0.900 -15.826 1.00 0.00 C ATOM 0 H ALA A 75 -5.801 -0.487 -13.581 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.702 -0.744 -14.234 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.960 -1.522 -16.432 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.416 0.143 -16.119 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.267 -1.209 -15.981 1.00 0.00 H new ATOM 836 N PRO A 76 -8.635 -3.290 -14.186 1.00 0.00 N ATOM 837 CA PRO A 76 -8.678 -4.690 -13.799 1.00 0.00 C ATOM 838 C PRO A 76 -7.761 -5.533 -14.690 1.00 0.00 C ATOM 839 O PRO A 76 -7.615 -5.251 -15.878 1.00 0.00 O ATOM 840 CB PRO A 76 -10.141 -5.086 -13.910 1.00 0.00 C ATOM 841 CG PRO A 76 -10.790 -4.034 -14.795 1.00 0.00 C ATOM 842 CD PRO A 76 -9.829 -2.863 -14.910 1.00 0.00 C ATOM 0 HA PRO A 76 -8.311 -4.858 -12.787 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.245 -6.080 -14.344 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.613 -5.116 -12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.009 -4.446 -15.780 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.739 -3.709 -14.368 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.601 -2.639 -15.952 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.253 -1.958 -14.475 1.00 0.00 H new ATOM 847 N GLY A 77 -7.169 -6.550 -14.080 1.00 0.00 N ATOM 848 CA GLY A 77 -6.272 -7.435 -14.803 1.00 0.00 C ATOM 849 C GLY A 77 -5.113 -6.652 -15.425 1.00 0.00 C ATOM 850 O GLY A 77 -4.819 -6.810 -16.609 1.00 0.00 O ATOM 0 H GLY A 77 -7.293 -6.780 -13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.881 -8.194 -14.126 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.823 -7.958 -15.584 1.00 0.00 H new ATOM 854 N ALA A 78 -4.489 -5.825 -14.600 1.00 0.00 N ATOM 855 CA ALA A 78 -3.370 -5.019 -15.055 1.00 0.00 C ATOM 856 C ALA A 78 -2.166 -5.263 -14.142 1.00 0.00 C ATOM 857 O ALA A 78 -2.117 -6.262 -13.428 1.00 0.00 O ATOM 858 CB ALA A 78 -3.783 -3.546 -15.092 1.00 0.00 C ATOM 0 H ALA A 78 -4.737 -5.696 -13.619 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.080 -5.302 -16.067 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.943 -2.941 -15.434 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.622 -3.421 -15.776 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.078 -3.226 -14.093 1.00 0.00 H new ATOM 864 N LEU A 79 -1.224 -4.332 -14.197 1.00 0.00 N ATOM 865 CA LEU A 79 -0.024 -4.434 -13.384 1.00 0.00 C ATOM 866 C LEU A 79 0.378 -3.039 -12.900 1.00 0.00 C ATOM 867 O LEU A 79 0.815 -2.206 -13.693 1.00 0.00 O ATOM 868 CB LEU A 79 1.082 -5.162 -14.151 1.00 0.00 C ATOM 869 CG LEU A 79 1.413 -6.576 -13.669 1.00 0.00 C ATOM 870 CD1 LEU A 79 1.918 -6.560 -12.225 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.214 -7.511 -13.846 1.00 0.00 C ATOM 0 H LEU A 79 -1.268 -3.504 -14.792 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.214 -5.037 -12.496 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.794 -5.215 -15.201 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.989 -4.560 -14.099 1.00 0.00 H new ATOM 0 HG LEU A 79 2.221 -6.967 -14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.146 -7.578 -11.908 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.819 -5.950 -12.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.150 -6.141 -11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.476 -8.509 -13.496 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.630 -7.134 -13.268 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.059 -7.557 -14.900 1.00 0.00 H new ATOM 882 N VAL A 80 0.219 -2.830 -11.602 1.00 0.00 N ATOM 883 CA VAL A 80 0.560 -1.551 -11.002 1.00 0.00 C ATOM 884 C VAL A 80 1.800 -1.720 -10.122 1.00 0.00 C ATOM 885 O VAL A 80 1.810 -1.290 -8.969 1.00 0.00 O ATOM 886 CB VAL A 80 -0.643 -0.992 -10.241 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.244 0.224 -9.403 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.786 -0.647 -11.198 1.00 0.00 C ATOM 0 H VAL A 80 -0.142 -3.525 -10.948 1.00 0.00 H new ATOM 0 HA VAL A 80 0.806 -0.821 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.998 -1.766 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.117 0.602 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.521 -0.066 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.149 1.003 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.629 -0.252 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.447 0.102 -11.914 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.097 -1.545 -11.732 1.00 0.00 H new ATOM 898 N GLU A 81 2.815 -2.347 -10.698 1.00 0.00 N ATOM 899 CA GLU A 81 4.056 -2.579 -9.980 1.00 0.00 C ATOM 900 C GLU A 81 5.126 -1.584 -10.435 1.00 0.00 C ATOM 901 O GLU A 81 5.000 -0.974 -11.495 1.00 0.00 O ATOM 902 CB GLU A 81 4.535 -4.020 -10.162 1.00 0.00 C ATOM 903 CG GLU A 81 4.956 -4.279 -11.610 1.00 0.00 C ATOM 904 CD GLU A 81 6.447 -3.997 -11.807 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.237 -4.939 -11.580 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.763 -2.847 -12.177 1.00 0.00 O ATOM 0 H GLU A 81 2.803 -2.702 -11.654 1.00 0.00 H new ATOM 0 HA GLU A 81 3.872 -2.425 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.375 -4.215 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.739 -4.710 -9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.740 -5.314 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.371 -3.649 -12.281 1.00 0.00 H new ATOM 911 N ARG A 82 6.155 -1.451 -9.609 1.00 0.00 N ATOM 912 CA ARG A 82 7.246 -0.541 -9.915 1.00 0.00 C ATOM 913 C ARG A 82 8.390 -0.730 -8.916 1.00 0.00 C ATOM 914 O ARG A 82 8.716 0.184 -8.160 1.00 0.00 O ATOM 915 CB ARG A 82 6.777 0.915 -9.872 1.00 0.00 C ATOM 916 CG ARG A 82 6.041 1.216 -8.565 1.00 0.00 C ATOM 917 CD ARG A 82 5.119 2.428 -8.721 1.00 0.00 C ATOM 918 NE ARG A 82 4.082 2.147 -9.738 1.00 0.00 N ATOM 919 CZ ARG A 82 4.188 2.478 -11.032 1.00 0.00 C ATOM 920 NH1 ARG A 82 5.288 3.104 -11.474 1.00 0.00 N ATOM 921 NH2 ARG A 82 3.196 2.184 -11.883 1.00 0.00 N ATOM 0 H ARG A 82 6.256 -1.958 -8.730 1.00 0.00 H new ATOM 0 HA ARG A 82 7.596 -0.769 -10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.635 1.580 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.119 1.114 -10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.457 0.346 -8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.764 1.404 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.649 2.663 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.700 3.302 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 82 3.232 1.671 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.043 3.328 -10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.370 3.357 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.359 1.708 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.277 2.436 -12.868 1.00 0.00 H new ATOM 1166 N ALA A 99 7.126 -0.554 -4.972 1.00 0.00 N ATOM 1167 CA ALA A 99 6.149 -1.520 -4.500 1.00 0.00 C ATOM 1168 C ALA A 99 5.565 -2.275 -5.696 1.00 0.00 C ATOM 1169 O ALA A 99 5.812 -1.911 -6.845 1.00 0.00 O ATOM 1170 CB ALA A 99 5.074 -0.802 -3.682 1.00 0.00 C ATOM 0 HA ALA A 99 6.620 -2.253 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.341 -1.527 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.537 -0.307 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.577 -0.059 -4.306 1.00 0.00 H new ATOM 1176 N TYR A 100 4.799 -3.310 -5.385 1.00 0.00 N ATOM 1177 CA TYR A 100 4.177 -4.119 -6.421 1.00 0.00 C ATOM 1178 C TYR A 100 2.707 -4.389 -6.095 1.00 0.00 C ATOM 1179 O TYR A 100 2.400 -5.150 -5.179 1.00 0.00 O ATOM 1180 CB TYR A 100 4.937 -5.446 -6.432 1.00 0.00 C ATOM 1181 CG TYR A 100 5.108 -6.053 -7.826 1.00 0.00 C ATOM 1182 CD1 TYR A 100 4.021 -6.591 -8.484 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.352 -6.063 -8.427 1.00 0.00 C ATOM 1184 CE1 TYR A 100 4.182 -7.162 -9.796 1.00 0.00 C ATOM 1185 CE2 TYR A 100 6.513 -6.634 -9.738 1.00 0.00 C ATOM 1186 CZ TYR A 100 5.419 -7.156 -10.358 1.00 0.00 C ATOM 1187 OH TYR A 100 5.572 -7.695 -11.598 1.00 0.00 O ATOM 0 H TYR A 100 4.595 -3.608 -4.431 1.00 0.00 H new ATOM 0 HA TYR A 100 4.215 -3.608 -7.383 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.922 -5.293 -5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.411 -6.160 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.048 -6.584 -8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.204 -5.642 -7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.339 -7.585 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.480 -6.648 -10.219 1.00 0.00 H new ATOM 0 HH TYR A 100 6.509 -7.620 -11.874 1.00 0.00 H new ATOM 1196 N ARG A 101 1.838 -3.752 -6.866 1.00 0.00 N ATOM 1197 CA ARG A 101 0.407 -3.913 -6.671 1.00 0.00 C ATOM 1198 C ARG A 101 -0.272 -4.268 -7.996 1.00 0.00 C ATOM 1199 O ARG A 101 0.007 -3.655 -9.024 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.221 -2.636 -6.110 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.954 -2.916 -4.797 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.416 -2.476 -4.880 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.888 -2.029 -3.550 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.055 -2.845 -2.500 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.791 -4.153 -2.618 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.486 -2.351 -1.331 1.00 0.00 N ATOM 0 H ARG A 101 2.097 -3.124 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 101 0.259 -4.721 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.554 -1.887 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.917 -2.219 -6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.903 -3.981 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.458 -2.391 -3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.520 -1.667 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.033 -3.301 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.099 -1.039 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.463 -4.529 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.918 -4.773 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.687 -1.355 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.613 -2.971 -0.531 1.00 0.00 H new ATOM 1217 N GLU A 102 -1.152 -5.257 -7.927 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.872 -5.702 -9.108 1.00 0.00 C ATOM 1219 C GLU A 102 -3.379 -5.539 -8.902 1.00 0.00 C ATOM 1220 O GLU A 102 -3.862 -5.573 -7.771 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.518 -7.149 -9.454 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.437 -8.010 -8.192 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.038 -9.448 -8.534 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.852 -10.118 -9.205 1.00 0.00 O ATOM 1225 OE2 GLU A 102 0.072 -9.843 -8.117 1.00 0.00 O ATOM 0 H GLU A 102 -1.382 -5.762 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.571 -5.079 -9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.268 -7.559 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.564 -7.178 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.711 -7.582 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.401 -8.007 -7.683 1.00 0.00 H new ATOM 1230 N CYS A 103 -4.081 -5.367 -10.012 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.523 -5.199 -9.968 1.00 0.00 C ATOM 1232 C CYS A 103 -6.169 -6.422 -10.623 1.00 0.00 C ATOM 1233 O CYS A 103 -6.025 -6.635 -11.825 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.962 -3.895 -10.636 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.746 -2.682 -9.512 1.00 0.00 S ATOM 0 H CYS A 103 -3.677 -5.340 -10.948 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.852 -5.127 -8.931 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.092 -3.430 -11.100 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.662 -4.132 -11.437 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.869 -7.193 -9.803 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.537 -8.388 -10.288 1.00 0.00 C ATOM 1241 C LEU A 104 -8.421 -8.024 -11.482 1.00 0.00 C ATOM 1242 O LEU A 104 -8.607 -6.846 -11.785 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.293 -9.077 -9.150 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.494 -10.094 -8.332 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -7.747 -9.913 -6.835 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.787 -11.523 -8.796 1.00 0.00 C ATOM 0 H LEU A 104 -6.988 -7.013 -8.806 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.807 -9.116 -10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.668 -8.310 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.162 -9.582 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.433 -9.912 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.167 -10.648 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.447 -8.909 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.808 -10.052 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.206 -12.226 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.849 -11.734 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.514 -11.628 -9.846 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.944 -9.057 -12.128 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.804 -8.859 -13.282 1.00 0.00 C ATOM 1259 C GLU A 105 -11.210 -8.456 -12.833 1.00 0.00 C ATOM 1260 O GLU A 105 -12.098 -8.265 -13.662 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.846 -10.116 -14.155 1.00 0.00 C ATOM 1262 CG GLU A 105 -8.680 -10.134 -15.145 1.00 0.00 C ATOM 1263 CD GLU A 105 -8.538 -11.510 -15.799 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.632 -12.506 -15.052 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -8.337 -11.534 -17.033 1.00 0.00 O ATOM 0 H GLU A 105 -8.788 -10.033 -11.874 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.391 -8.050 -13.885 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.805 -11.003 -13.523 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.790 -10.154 -14.699 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.838 -9.377 -15.913 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.756 -9.876 -14.629 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.368 -8.340 -11.524 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.650 -7.963 -10.954 1.00 0.00 C ATOM 1272 C ASN A 106 -12.645 -6.465 -10.645 1.00 0.00 C ATOM 1273 O ASN A 106 -13.652 -5.917 -10.198 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.917 -8.715 -9.649 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.410 -8.724 -9.316 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -14.885 -7.997 -8.459 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.120 -9.585 -10.039 1.00 0.00 N ATOM 0 H ASN A 106 -10.628 -8.501 -10.840 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.426 -8.212 -11.677 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.554 -9.739 -9.735 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.362 -8.247 -8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.126 -9.666 -9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.659 -10.164 -10.741 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.502 -5.845 -10.894 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.352 -4.421 -10.647 1.00 0.00 C ATOM 1285 C GLY A 107 -11.060 -4.148 -9.169 1.00 0.00 C ATOM 1286 O GLY A 107 -11.455 -3.113 -8.635 1.00 0.00 O ATOM 0 H GLY A 107 -10.669 -6.303 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.543 -4.025 -11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.262 -3.899 -10.944 1.00 0.00 H new ATOM 1290 N THR A 108 -10.370 -5.096 -8.552 1.00 0.00 N ATOM 1291 CA THR A 108 -10.020 -4.971 -7.146 1.00 0.00 C ATOM 1292 C THR A 108 -8.506 -4.828 -6.985 1.00 0.00 C ATOM 1293 O THR A 108 -7.761 -4.936 -7.958 1.00 0.00 O ATOM 1294 CB THR A 108 -10.599 -6.178 -6.406 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.938 -7.296 -6.995 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.077 -6.409 -6.726 1.00 0.00 C ATOM 0 H THR A 108 -10.044 -5.953 -8.999 1.00 0.00 H new ATOM 0 HA THR A 108 -10.448 -4.069 -6.710 1.00 0.00 H new ATOM 0 HB THR A 108 -10.478 -6.036 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.530 -7.716 -7.654 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.437 -7.277 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.654 -5.530 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.195 -6.584 -7.795 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.095 -4.585 -5.749 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.682 -4.424 -5.448 1.00 0.00 C ATOM 1306 C TRP A 109 -6.176 -5.736 -4.843 1.00 0.00 C ATOM 1307 O TRP A 109 -6.919 -6.714 -4.763 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.450 -3.217 -4.537 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.262 -1.898 -5.289 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.890 -0.733 -5.081 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.355 -1.655 -6.385 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.456 0.240 -5.959 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.493 -0.339 -6.777 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.448 -2.518 -7.024 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.756 0.231 -7.822 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.719 -1.934 -8.067 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.847 -0.610 -8.473 1.00 0.00 C ATOM 0 H TRP A 109 -8.715 -4.496 -4.944 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.115 -4.217 -6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.297 -3.119 -3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.569 -3.402 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.642 -0.575 -4.322 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.782 1.206 -6.000 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.323 -3.551 -6.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.882 1.264 -8.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.008 -2.555 -8.593 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.247 -0.232 -9.288 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.917 -5.713 -4.431 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.304 -6.888 -3.836 1.00 0.00 C ATOM 1329 C ALA A 110 -4.442 -6.815 -2.315 1.00 0.00 C ATOM 1330 O ALA A 110 -5.332 -6.140 -1.800 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.845 -6.986 -4.285 1.00 0.00 C ATOM 0 H ALA A 110 -4.305 -4.900 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.809 -7.794 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.385 -7.868 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.803 -7.066 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.305 -6.094 -3.966 1.00 0.00 H new ATOM 1337 N SER A 111 -3.546 -7.518 -1.636 1.00 0.00 N ATOM 1338 CA SER A 111 -3.557 -7.540 -0.183 1.00 0.00 C ATOM 1339 C SER A 111 -2.331 -6.806 0.361 1.00 0.00 C ATOM 1340 O SER A 111 -2.443 -6.003 1.285 1.00 0.00 O ATOM 1341 CB SER A 111 -3.594 -8.977 0.344 1.00 0.00 C ATOM 1342 OG SER A 111 -2.311 -9.595 0.300 1.00 0.00 O ATOM 0 H SER A 111 -2.808 -8.076 -2.065 1.00 0.00 H new ATOM 0 HA SER A 111 -4.458 -7.031 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.962 -8.977 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.299 -9.562 -0.247 1.00 0.00 H new ATOM 0 HG SER A 111 -2.376 -10.510 0.646 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.187 -7.108 -0.237 1.00 0.00 N ATOM 1348 CA ARG A 112 0.060 -6.487 0.176 1.00 0.00 C ATOM 1349 C ARG A 112 0.893 -6.103 -1.048 1.00 0.00 C ATOM 1350 O ARG A 112 1.062 -6.906 -1.966 1.00 0.00 O ATOM 1351 CB ARG A 112 0.877 -7.427 1.065 1.00 0.00 C ATOM 1352 CG ARG A 112 1.077 -8.785 0.389 1.00 0.00 C ATOM 1353 CD ARG A 112 0.600 -9.923 1.294 1.00 0.00 C ATOM 1354 NE ARG A 112 1.514 -10.068 2.449 1.00 0.00 N ATOM 1355 CZ ARG A 112 1.305 -10.907 3.472 1.00 0.00 C ATOM 1356 NH1 ARG A 112 0.212 -11.681 3.491 1.00 0.00 N ATOM 1357 NH2 ARG A 112 2.188 -10.971 4.478 1.00 0.00 N ATOM 0 H ARG A 112 -1.098 -7.774 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.189 -5.592 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.846 -6.978 1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.369 -7.563 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.529 -8.811 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.131 -8.924 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.412 -9.720 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.562 -10.855 0.731 1.00 0.00 H new ATOM 0 HE ARG A 112 2.356 -9.493 2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.461 -11.632 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.053 -12.320 4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.020 -10.381 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.028 -11.610 5.257 1.00 0.00 H new ATOM 1368 N VAL A 113 1.391 -4.876 -1.024 1.00 0.00 N ATOM 1369 CA VAL A 113 2.202 -4.376 -2.122 1.00 0.00 C ATOM 1370 C VAL A 113 3.681 -4.603 -1.802 1.00 0.00 C ATOM 1371 O VAL A 113 4.408 -3.657 -1.502 1.00 0.00 O ATOM 1372 CB VAL A 113 1.869 -2.907 -2.392 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.913 -2.602 -3.891 1.00 0.00 C ATOM 1374 CG2 VAL A 113 0.510 -2.535 -1.797 1.00 0.00 C ATOM 0 H VAL A 113 1.249 -4.213 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 113 1.979 -4.921 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 113 2.628 -2.296 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.673 -1.552 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.911 -2.810 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.186 -3.226 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.298 -1.486 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.265 -3.157 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.528 -2.697 -0.719 1.00 0.00 H new