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 40:sc= 0.162 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 66 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.27) USER MOD Single : A 69 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A 70 CYS SG : rot -47:sc= 0.0388 USER MOD Single : A 73 GLN : amide:sc= -1.89! C(o=-1.9!,f=-2.8!) USER MOD Single : A 74 SER OG : rot -42:sc= -0.0299! 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= -0.956 USER MOD Single : A 111 SER OG : rot 180:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.793 -1.134 -11.743 1.00 0.00 N ATOM 592 CA THR A 58 -15.125 -2.205 -12.463 1.00 0.00 C ATOM 593 C THR A 58 -13.680 -1.814 -12.780 1.00 0.00 C ATOM 594 O THR A 58 -13.008 -2.490 -13.558 1.00 0.00 O ATOM 595 CB THR A 58 -15.955 -2.527 -13.706 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.174 -3.050 -13.185 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.369 -3.685 -14.517 1.00 0.00 C ATOM 0 HA THR A 58 -15.058 -3.108 -11.857 1.00 0.00 H new ATOM 0 HB THR A 58 -16.023 -1.640 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.435 -2.541 -12.390 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.996 -3.873 -15.389 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.362 -3.427 -14.844 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.331 -4.581 -13.897 1.00 0.00 H new ATOM 605 N TYR A 59 -13.245 -0.726 -12.162 1.00 0.00 N ATOM 606 CA TYR A 59 -11.892 -0.238 -12.369 1.00 0.00 C ATOM 607 C TYR A 59 -11.201 0.044 -11.034 1.00 0.00 C ATOM 608 O TYR A 59 -11.847 0.452 -10.070 1.00 0.00 O ATOM 609 CB TYR A 59 -12.032 1.074 -13.145 1.00 0.00 C ATOM 610 CG TYR A 59 -12.896 2.123 -12.443 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.447 2.723 -11.284 1.00 0.00 C ATOM 612 CD2 TYR A 59 -14.124 2.469 -12.968 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.261 3.711 -10.623 1.00 0.00 C ATOM 614 CE2 TYR A 59 -14.938 3.456 -12.307 1.00 0.00 C ATOM 615 CZ TYR A 59 -14.466 4.029 -11.167 1.00 0.00 C ATOM 616 OH TYR A 59 -15.235 4.961 -10.544 1.00 0.00 O ATOM 0 H TYR A 59 -13.806 -0.168 -11.518 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.294 -0.977 -12.902 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.039 1.491 -13.316 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.461 0.861 -14.124 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.486 2.452 -10.873 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.475 1.999 -13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.922 4.188 -9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.901 3.735 -12.707 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.067 5.087 -11.046 1.00 0.00 H new ATOM 625 N CYS A 60 -9.896 -0.185 -11.020 1.00 0.00 N ATOM 626 CA CYS A 60 -9.110 0.039 -9.819 1.00 0.00 C ATOM 627 C CYS A 60 -9.427 1.440 -9.292 1.00 0.00 C ATOM 628 O CYS A 60 -9.414 2.410 -10.047 1.00 0.00 O ATOM 629 CB CYS A 60 -7.614 -0.147 -10.079 1.00 0.00 C ATOM 630 SG CYS A 60 -7.190 -1.592 -11.119 1.00 0.00 S ATOM 0 H CYS A 60 -9.363 -0.523 -11.821 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.376 -0.701 -9.064 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.228 0.753 -10.557 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.102 -0.244 -9.121 1.00 0.00 H new ATOM 634 N ASN A 61 -9.705 1.501 -7.997 1.00 0.00 N ATOM 635 CA ASN A 61 -10.025 2.766 -7.360 1.00 0.00 C ATOM 636 C ASN A 61 -8.833 3.224 -6.517 1.00 0.00 C ATOM 637 O ASN A 61 -7.926 2.440 -6.240 1.00 0.00 O ATOM 638 CB ASN A 61 -11.233 2.626 -6.431 1.00 0.00 C ATOM 639 CG ASN A 61 -11.551 3.953 -5.740 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.924 4.934 -6.363 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.384 3.929 -4.421 1.00 0.00 N ATOM 0 H ASN A 61 -9.715 0.694 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.254 3.488 -8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.099 2.293 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.033 1.861 -5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.571 4.765 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.069 3.074 -3.962 1.00 0.00 H new ATOM 647 N THR A 62 -8.872 4.492 -6.133 1.00 0.00 N ATOM 648 CA THR A 62 -7.806 5.064 -5.328 1.00 0.00 C ATOM 649 C THR A 62 -7.754 4.389 -3.956 1.00 0.00 C ATOM 650 O THR A 62 -8.725 4.431 -3.203 1.00 0.00 O ATOM 651 CB THR A 62 -8.029 6.576 -5.255 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.843 7.020 -6.596 1.00 0.00 O ATOM 653 CG2 THR A 62 -6.927 7.292 -4.469 1.00 0.00 C ATOM 0 H THR A 62 -9.625 5.139 -6.365 1.00 0.00 H new ATOM 0 HA THR A 62 -6.830 4.887 -5.779 1.00 0.00 H new ATOM 0 HB THR A 62 -8.995 6.779 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.971 7.991 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.132 8.362 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.898 6.907 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.965 7.117 -4.950 1.00 0.00 H new ATOM 661 N THR A 63 -6.610 3.783 -3.674 1.00 0.00 N ATOM 662 CA THR A 63 -6.418 3.100 -2.405 1.00 0.00 C ATOM 663 C THR A 63 -4.980 3.279 -1.915 1.00 0.00 C ATOM 664 O THR A 63 -4.036 3.159 -2.693 1.00 0.00 O ATOM 665 CB THR A 63 -6.819 1.635 -2.591 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.180 1.698 -3.008 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.868 0.870 -1.268 1.00 0.00 C ATOM 0 H THR A 63 -5.807 3.751 -4.302 1.00 0.00 H new ATOM 0 HA THR A 63 -7.049 3.528 -1.626 1.00 0.00 H new ATOM 0 HB THR A 63 -6.115 1.148 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.520 0.790 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.157 -0.164 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.885 0.892 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.597 1.336 -0.605 1.00 0.00 H new ATOM 675 N LEU A 64 -4.859 3.565 -0.626 1.00 0.00 N ATOM 676 CA LEU A 64 -3.553 3.763 -0.023 1.00 0.00 C ATOM 677 C LEU A 64 -3.582 3.265 1.423 1.00 0.00 C ATOM 678 O LEU A 64 -4.654 3.042 1.985 1.00 0.00 O ATOM 679 CB LEU A 64 -3.113 5.221 -0.163 1.00 0.00 C ATOM 680 CG LEU A 64 -3.370 6.118 1.049 1.00 0.00 C ATOM 681 CD1 LEU A 64 -2.169 6.116 1.997 1.00 0.00 C ATOM 682 CD2 LEU A 64 -3.753 7.534 0.614 1.00 0.00 C ATOM 0 H LEU A 64 -5.645 3.664 0.017 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.799 3.176 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.046 5.238 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.623 5.653 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.217 5.711 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.378 6.761 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.983 5.101 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.289 6.485 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.930 8.150 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.943 7.966 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.659 7.496 0.010 1.00 0.00 H new ATOM 693 N ASP A 65 -2.394 3.105 1.986 1.00 0.00 N ATOM 694 CA ASP A 65 -2.271 2.638 3.356 1.00 0.00 C ATOM 695 C ASP A 65 -0.821 2.801 3.817 1.00 0.00 C ATOM 696 O ASP A 65 -0.062 3.570 3.230 1.00 0.00 O ATOM 697 CB ASP A 65 -2.639 1.158 3.468 1.00 0.00 C ATOM 698 CG ASP A 65 -3.631 0.821 4.583 1.00 0.00 C ATOM 699 OD1 ASP A 65 -4.413 1.729 4.940 1.00 0.00 O ATOM 700 OD2 ASP A 65 -3.587 -0.336 5.053 1.00 0.00 O ATOM 0 H ASP A 65 -1.507 3.291 1.518 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.949 3.226 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.059 0.831 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.727 0.583 3.628 1.00 0.00 H new ATOM 704 N GLN A 66 -0.480 2.064 4.865 1.00 0.00 N ATOM 705 CA GLN A 66 0.864 2.117 5.411 1.00 0.00 C ATOM 706 C GLN A 66 1.889 2.275 4.286 1.00 0.00 C ATOM 707 O GLN A 66 2.704 3.197 4.309 1.00 0.00 O ATOM 708 CB GLN A 66 1.164 0.875 6.254 1.00 0.00 C ATOM 709 CG GLN A 66 1.379 1.248 7.722 1.00 0.00 C ATOM 710 CD GLN A 66 2.570 2.196 7.878 1.00 0.00 C ATOM 711 OE1 GLN A 66 3.652 1.966 7.362 1.00 0.00 O ATOM 712 NE2 GLN A 66 2.312 3.273 8.614 1.00 0.00 N ATOM 0 H GLN A 66 -1.112 1.427 5.350 1.00 0.00 H new ATOM 0 HA GLN A 66 0.934 2.986 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.339 0.167 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.052 0.375 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.479 1.721 8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.549 0.345 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.384 3.405 9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.042 3.967 8.775 1.00 0.00 H new ATOM 719 N ILE A 67 1.815 1.364 3.328 1.00 0.00 N ATOM 720 CA ILE A 67 2.726 1.391 2.196 1.00 0.00 C ATOM 721 C ILE A 67 1.932 1.190 0.904 1.00 0.00 C ATOM 722 O ILE A 67 2.179 0.242 0.160 1.00 0.00 O ATOM 723 CB ILE A 67 3.851 0.374 2.391 1.00 0.00 C ATOM 724 CG1 ILE A 67 4.510 0.022 1.055 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.346 -0.870 3.125 1.00 0.00 C ATOM 726 CD1 ILE A 67 6.026 -0.104 1.207 1.00 0.00 C ATOM 0 H ILE A 67 1.138 0.601 3.312 1.00 0.00 H new ATOM 0 HA ILE A 67 3.215 2.362 2.122 1.00 0.00 H new ATOM 0 HB ILE A 67 4.617 0.830 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.100 -0.915 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.278 0.790 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.166 -1.577 3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.961 -0.584 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.550 -1.337 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.469 -0.355 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.436 0.842 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.255 -0.890 1.927 1.00 0.00 H new ATOM 737 N GLY A 68 0.994 2.098 0.675 1.00 0.00 N ATOM 738 CA GLY A 68 0.163 2.033 -0.514 1.00 0.00 C ATOM 739 C GLY A 68 0.677 2.986 -1.595 1.00 0.00 C ATOM 740 O GLY A 68 0.134 3.030 -2.698 1.00 0.00 O ATOM 0 H GLY A 68 0.792 2.883 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.152 1.013 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.865 2.289 -0.258 1.00 0.00 H new ATOM 744 N THR A 69 1.719 3.725 -1.241 1.00 0.00 N ATOM 745 CA THR A 69 2.312 4.674 -2.168 1.00 0.00 C ATOM 746 C THR A 69 1.225 5.368 -2.990 1.00 0.00 C ATOM 747 O THR A 69 1.464 5.773 -4.126 1.00 0.00 O ATOM 748 CB THR A 69 3.335 3.924 -3.023 1.00 0.00 C ATOM 749 OG1 THR A 69 3.723 4.873 -4.012 1.00 0.00 O ATOM 750 CG2 THR A 69 2.703 2.785 -3.827 1.00 0.00 C ATOM 0 H THR A 69 2.167 3.686 -0.326 1.00 0.00 H new ATOM 0 HA THR A 69 2.833 5.471 -1.638 1.00 0.00 H new ATOM 0 HB THR A 69 4.120 3.524 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.960 5.069 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.472 2.285 -4.416 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.246 2.068 -3.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.941 3.189 -4.493 1.00 0.00 H new ATOM 758 N CYS A 70 0.052 5.484 -2.384 1.00 0.00 N ATOM 759 CA CYS A 70 -1.074 6.122 -3.046 1.00 0.00 C ATOM 760 C CYS A 70 -1.229 5.500 -4.435 1.00 0.00 C ATOM 761 O CYS A 70 -0.523 5.875 -5.369 1.00 0.00 O ATOM 762 CB CYS A 70 -0.901 7.640 -3.116 1.00 0.00 C ATOM 763 SG CYS A 70 -1.810 8.454 -4.481 1.00 0.00 S ATOM 0 H CYS A 70 -0.143 5.147 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.983 5.952 -2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.229 8.073 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.160 7.866 -3.219 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.617 7.794 -5.585 1.00 0.00 H new ATOM 767 N TRP A 71 -2.158 4.560 -4.527 1.00 0.00 N ATOM 768 CA TRP A 71 -2.415 3.883 -5.786 1.00 0.00 C ATOM 769 C TRP A 71 -3.632 4.543 -6.438 1.00 0.00 C ATOM 770 O TRP A 71 -4.753 4.405 -5.951 1.00 0.00 O ATOM 771 CB TRP A 71 -2.594 2.378 -5.573 1.00 0.00 C ATOM 772 CG TRP A 71 -1.376 1.687 -4.957 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.253 1.174 -3.725 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.104 1.455 -5.598 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.001 0.629 -3.527 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.720 0.805 -4.702 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.336 1.781 -6.893 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.034 0.427 -5.003 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.650 1.397 -7.179 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.494 0.743 -6.288 1.00 0.00 C ATOM 0 H TRP A 71 -2.742 4.251 -3.750 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.563 3.983 -6.458 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.457 2.213 -4.928 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.818 1.910 -6.532 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.036 1.186 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.334 0.180 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.292 2.288 -7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.659 -0.081 -4.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.037 1.624 -8.161 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.499 0.480 -6.585 1.00 0.00 H new ATOM 790 N PRO A 72 -3.363 5.264 -7.559 1.00 0.00 N ATOM 791 CA PRO A 72 -4.422 5.946 -8.283 1.00 0.00 C ATOM 792 C PRO A 72 -5.267 4.952 -9.083 1.00 0.00 C ATOM 793 O PRO A 72 -4.761 3.928 -9.539 1.00 0.00 O ATOM 794 CB PRO A 72 -3.709 6.960 -9.161 1.00 0.00 C ATOM 795 CG PRO A 72 -2.263 6.498 -9.245 1.00 0.00 C ATOM 796 CD PRO A 72 -2.047 5.449 -8.165 1.00 0.00 C ATOM 0 HA PRO A 72 -5.132 6.442 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.162 7.006 -10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.775 7.961 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.052 6.082 -10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.584 7.339 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.671 4.517 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.316 5.783 -7.429 1.00 0.00 H new ATOM 801 N GLN A 73 -6.539 5.290 -9.230 1.00 0.00 N ATOM 802 CA GLN A 73 -7.459 4.440 -9.967 1.00 0.00 C ATOM 803 C GLN A 73 -6.765 3.845 -11.193 1.00 0.00 C ATOM 804 O GLN A 73 -5.757 4.376 -11.659 1.00 0.00 O ATOM 805 CB GLN A 73 -8.717 5.213 -10.370 1.00 0.00 C ATOM 806 CG GLN A 73 -8.424 6.174 -11.524 1.00 0.00 C ATOM 807 CD GLN A 73 -8.592 5.474 -12.875 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.634 5.112 -13.539 1.00 0.00 O ATOM 809 NE2 GLN A 73 -9.858 5.306 -13.243 1.00 0.00 N ATOM 0 H GLN A 73 -6.955 6.141 -8.851 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.768 3.622 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.499 4.513 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.095 5.772 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.095 7.031 -11.468 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.408 6.559 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.612 5.633 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.075 4.850 -14.129 1.00 0.00 H new ATOM 816 N SER A 74 -7.331 2.751 -11.682 1.00 0.00 N ATOM 817 CA SER A 74 -6.779 2.079 -12.845 1.00 0.00 C ATOM 818 C SER A 74 -7.804 1.099 -13.420 1.00 0.00 C ATOM 819 O SER A 74 -8.941 1.043 -12.955 1.00 0.00 O ATOM 820 CB SER A 74 -5.483 1.345 -12.494 1.00 0.00 C ATOM 821 OG SER A 74 -4.725 2.042 -11.509 1.00 0.00 O ATOM 0 H SER A 74 -8.167 2.314 -11.293 1.00 0.00 H new ATOM 0 HA SER A 74 -6.546 2.834 -13.596 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.720 0.346 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.881 1.221 -13.394 1.00 0.00 H new ATOM 0 HG SER A 74 -4.732 3.001 -11.709 1.00 0.00 H new ATOM 826 N ALA A 75 -7.366 0.351 -14.421 1.00 0.00 N ATOM 827 CA ALA A 75 -8.231 -0.622 -15.064 1.00 0.00 C ATOM 828 C ALA A 75 -7.906 -2.018 -14.528 1.00 0.00 C ATOM 829 O ALA A 75 -6.907 -2.205 -13.836 1.00 0.00 O ATOM 830 CB ALA A 75 -8.068 -0.528 -16.582 1.00 0.00 C ATOM 0 H ALA A 75 -6.422 0.399 -14.803 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.277 -0.415 -14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.718 -1.259 -17.064 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.339 0.474 -16.916 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.031 -0.732 -16.850 1.00 0.00 H new ATOM 836 N PRO A 76 -8.793 -2.989 -14.877 1.00 0.00 N ATOM 837 CA PRO A 76 -8.611 -4.362 -14.439 1.00 0.00 C ATOM 838 C PRO A 76 -7.495 -5.047 -15.233 1.00 0.00 C ATOM 839 O PRO A 76 -7.206 -4.660 -16.364 1.00 0.00 O ATOM 840 CB PRO A 76 -9.967 -5.020 -14.632 1.00 0.00 C ATOM 841 CG PRO A 76 -10.729 -4.128 -15.600 1.00 0.00 C ATOM 842 CD PRO A 76 -9.988 -2.805 -15.695 1.00 0.00 C ATOM 0 HA PRO A 76 -8.294 -4.433 -13.399 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.859 -6.028 -15.032 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.497 -5.109 -13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.797 -4.599 -16.581 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.749 -3.970 -15.251 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.729 -2.570 -16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.599 -1.982 -15.324 1.00 0.00 H new ATOM 847 N GLY A 77 -6.901 -6.053 -14.608 1.00 0.00 N ATOM 848 CA GLY A 77 -5.824 -6.794 -15.242 1.00 0.00 C ATOM 849 C GLY A 77 -4.640 -5.880 -15.562 1.00 0.00 C ATOM 850 O GLY A 77 -4.111 -5.908 -16.672 1.00 0.00 O ATOM 0 H GLY A 77 -7.145 -6.372 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.498 -7.600 -14.585 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.188 -7.257 -16.159 1.00 0.00 H new ATOM 854 N ALA A 78 -4.260 -5.089 -14.568 1.00 0.00 N ATOM 855 CA ALA A 78 -3.149 -4.167 -14.730 1.00 0.00 C ATOM 856 C ALA A 78 -2.139 -4.388 -13.602 1.00 0.00 C ATOM 857 O ALA A 78 -2.496 -4.334 -12.426 1.00 0.00 O ATOM 858 CB ALA A 78 -3.678 -2.731 -14.766 1.00 0.00 C ATOM 0 H ALA A 78 -4.702 -5.068 -13.649 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.634 -4.349 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.845 -2.039 -14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.368 -2.618 -15.602 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.199 -2.512 -13.834 1.00 0.00 H new ATOM 864 N LEU A 79 -0.900 -4.634 -14.000 1.00 0.00 N ATOM 865 CA LEU A 79 0.164 -4.864 -13.038 1.00 0.00 C ATOM 866 C LEU A 79 0.707 -3.518 -12.552 1.00 0.00 C ATOM 867 O LEU A 79 1.688 -3.010 -13.091 1.00 0.00 O ATOM 868 CB LEU A 79 1.235 -5.780 -13.632 1.00 0.00 C ATOM 869 CG LEU A 79 1.659 -6.967 -12.764 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.260 -6.491 -11.441 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.493 -7.934 -12.550 1.00 0.00 C ATOM 0 H LEU A 79 -0.609 -4.679 -14.977 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.221 -5.388 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.869 -6.164 -14.584 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.119 -5.180 -13.849 1.00 0.00 H new ATOM 0 HG LEU A 79 2.439 -7.516 -13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.553 -7.354 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.136 -5.874 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.520 -5.906 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.821 -8.768 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.325 -7.413 -12.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.151 -8.311 -13.514 1.00 0.00 H new ATOM 882 N VAL A 80 0.044 -2.981 -11.539 1.00 0.00 N ATOM 883 CA VAL A 80 0.447 -1.704 -10.974 1.00 0.00 C ATOM 884 C VAL A 80 1.701 -1.903 -10.120 1.00 0.00 C ATOM 885 O VAL A 80 1.694 -1.614 -8.924 1.00 0.00 O ATOM 886 CB VAL A 80 -0.715 -1.085 -10.196 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.236 0.081 -9.329 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.834 -0.643 -11.140 1.00 0.00 C ATOM 0 H VAL A 80 -0.770 -3.406 -11.095 1.00 0.00 H new ATOM 0 HA VAL A 80 0.701 -0.999 -11.766 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.119 -1.851 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.082 0.503 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.509 -0.276 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.207 0.848 -9.964 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.648 -0.206 -10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.448 0.098 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.205 -1.506 -11.694 1.00 0.00 H new ATOM 898 N GLU A 81 2.748 -2.394 -10.766 1.00 0.00 N ATOM 899 CA GLU A 81 4.006 -2.634 -10.081 1.00 0.00 C ATOM 900 C GLU A 81 4.911 -1.405 -10.185 1.00 0.00 C ATOM 901 O GLU A 81 4.949 -0.745 -11.221 1.00 0.00 O ATOM 902 CB GLU A 81 4.704 -3.877 -10.636 1.00 0.00 C ATOM 903 CG GLU A 81 4.713 -3.864 -12.165 1.00 0.00 C ATOM 904 CD GLU A 81 5.871 -4.700 -12.714 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.917 -5.901 -12.372 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.685 -4.118 -13.464 1.00 0.00 O ATOM 0 H GLU A 81 2.751 -2.632 -11.758 1.00 0.00 H new ATOM 0 HA GLU A 81 3.794 -2.816 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.727 -3.921 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.196 -4.773 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.767 -4.255 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.799 -2.838 -12.523 1.00 0.00 H new ATOM 911 N ARG A 82 5.616 -1.135 -9.097 1.00 0.00 N ATOM 912 CA ARG A 82 6.518 0.004 -9.052 1.00 0.00 C ATOM 913 C ARG A 82 7.895 -0.430 -8.547 1.00 0.00 C ATOM 914 O ARG A 82 8.303 -0.057 -7.448 1.00 0.00 O ATOM 915 CB ARG A 82 5.971 1.105 -8.141 1.00 0.00 C ATOM 916 CG ARG A 82 4.533 1.463 -8.517 1.00 0.00 C ATOM 917 CD ARG A 82 4.482 2.190 -9.863 1.00 0.00 C ATOM 918 NE ARG A 82 3.282 1.770 -10.621 1.00 0.00 N ATOM 919 CZ ARG A 82 3.062 2.072 -11.907 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.960 2.798 -12.588 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.945 1.648 -12.514 1.00 0.00 N ATOM 0 H ARG A 82 5.581 -1.685 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 82 6.606 0.398 -10.065 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.008 0.775 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.602 1.991 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.930 0.556 -8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.097 2.094 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.462 3.268 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.381 1.970 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 82 2.578 1.216 -10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.811 3.120 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.793 3.028 -13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.262 1.095 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.778 1.878 -13.494 1.00 0.00 H new ATOM 1166 N ALA A 99 7.305 -1.595 -4.226 1.00 0.00 N ATOM 1167 CA ALA A 99 6.101 -2.365 -3.965 1.00 0.00 C ATOM 1168 C ALA A 99 5.468 -2.780 -5.294 1.00 0.00 C ATOM 1169 O ALA A 99 5.883 -2.317 -6.356 1.00 0.00 O ATOM 1170 CB ALA A 99 5.147 -1.542 -3.096 1.00 0.00 C ATOM 0 HA ALA A 99 6.339 -3.276 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.244 -2.119 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.634 -1.298 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.883 -0.621 -3.617 1.00 0.00 H new ATOM 1176 N TYR A 100 4.472 -3.648 -5.194 1.00 0.00 N ATOM 1177 CA TYR A 100 3.778 -4.131 -6.376 1.00 0.00 C ATOM 1178 C TYR A 100 2.284 -4.313 -6.098 1.00 0.00 C ATOM 1179 O TYR A 100 1.901 -4.789 -5.030 1.00 0.00 O ATOM 1180 CB TYR A 100 4.394 -5.493 -6.701 1.00 0.00 C ATOM 1181 CG TYR A 100 5.891 -5.442 -7.009 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.408 -4.396 -7.746 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.726 -6.440 -6.549 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.818 -4.347 -8.037 1.00 0.00 C ATOM 1185 CE2 TYR A 100 8.135 -6.391 -6.840 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.611 -5.347 -7.568 1.00 0.00 C ATOM 1187 OH TYR A 100 9.943 -5.300 -7.843 1.00 0.00 O ATOM 0 H TYR A 100 4.129 -4.029 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 100 3.879 -3.421 -7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.230 -6.165 -5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.872 -5.921 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.755 -3.614 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.322 -7.258 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.235 -3.535 -8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.799 -7.167 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 100 10.387 -6.078 -7.445 1.00 0.00 H new ATOM 1196 N ARG A 101 1.481 -3.926 -7.078 1.00 0.00 N ATOM 1197 CA ARG A 101 0.038 -4.041 -6.952 1.00 0.00 C ATOM 1198 C ARG A 101 -0.564 -4.597 -8.243 1.00 0.00 C ATOM 1199 O ARG A 101 -0.310 -4.075 -9.327 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.597 -2.683 -6.645 1.00 0.00 C ATOM 1201 CG ARG A 101 -1.132 -2.639 -5.212 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.460 -1.881 -5.145 1.00 0.00 C ATOM 1203 NE ARG A 101 -3.428 -2.629 -4.310 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.526 -2.503 -2.979 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.716 -1.660 -2.325 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -4.433 -3.222 -2.304 1.00 0.00 N ATOM 0 H ARG A 101 1.802 -3.533 -7.963 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.170 -4.722 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.140 -1.893 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.409 -2.490 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.270 -3.654 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.401 -2.158 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.300 -0.887 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.862 -1.745 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.059 -3.280 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.025 -1.114 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.790 -1.564 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.048 -3.865 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.508 -3.127 -1.291 1.00 0.00 H new ATOM 1217 N GLU A 102 -1.353 -5.651 -8.084 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.993 -6.285 -9.224 1.00 0.00 C ATOM 1219 C GLU A 102 -3.503 -6.039 -9.189 1.00 0.00 C ATOM 1220 O GLU A 102 -4.100 -5.974 -8.116 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.683 -7.782 -9.264 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.451 -8.471 -10.395 1.00 0.00 C ATOM 1223 CD GLU A 102 -2.341 -9.994 -10.284 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.679 -10.509 -9.197 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.921 -10.606 -11.290 1.00 0.00 O ATOM 0 H GLU A 102 -1.563 -6.081 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.593 -5.840 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.612 -7.932 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.948 -8.237 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.499 -8.175 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.059 -8.144 -11.358 1.00 0.00 H new ATOM 1230 N CYS A 103 -4.077 -5.908 -10.376 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.506 -5.671 -10.494 1.00 0.00 C ATOM 1232 C CYS A 103 -6.116 -6.811 -11.311 1.00 0.00 C ATOM 1233 O CYS A 103 -5.840 -6.943 -12.502 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.803 -4.304 -11.113 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.548 -3.088 -9.966 1.00 0.00 S ATOM 0 H CYS A 103 -3.579 -5.961 -11.264 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.957 -5.654 -9.502 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.875 -3.890 -11.507 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.475 -4.443 -11.960 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.934 -7.607 -10.637 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.586 -8.732 -11.286 1.00 0.00 C ATOM 1241 C LEU A 104 -8.391 -8.227 -12.485 1.00 0.00 C ATOM 1242 O LEU A 104 -8.431 -7.026 -12.749 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.419 -9.523 -10.275 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.658 -10.553 -9.438 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.197 -10.604 -8.007 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.678 -11.928 -10.108 1.00 0.00 C ATOM 0 H LEU A 104 -7.160 -7.495 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.845 -9.432 -11.672 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.898 -8.817 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.214 -10.038 -10.814 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.616 -10.240 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.638 -11.344 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.086 -9.625 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.251 -10.879 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.130 -12.641 -9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.709 -12.263 -10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.209 -11.861 -11.090 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.012 -9.170 -13.179 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.813 -8.836 -14.344 1.00 0.00 C ATOM 1259 C GLU A 105 -11.220 -8.409 -13.917 1.00 0.00 C ATOM 1260 O GLU A 105 -12.064 -8.109 -14.760 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.871 -10.009 -15.325 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.688 -11.166 -14.749 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.288 -12.495 -15.393 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.383 -12.574 -16.637 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.895 -13.402 -14.627 1.00 0.00 O ATOM 0 H GLU A 105 -8.976 -10.165 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.340 -7.999 -14.857 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.313 -9.680 -16.265 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.860 -10.350 -15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.537 -11.221 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.750 -10.983 -14.914 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.427 -8.396 -12.608 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.716 -8.011 -12.060 1.00 0.00 C ATOM 1272 C ASN A 106 -12.644 -6.566 -11.564 1.00 0.00 C ATOM 1273 O ASN A 106 -13.620 -6.038 -11.033 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.096 -8.899 -10.872 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.568 -9.310 -10.945 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.455 -8.624 -10.464 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.777 -10.465 -11.570 1.00 0.00 N ATOM 0 H ASN A 106 -10.724 -8.646 -11.912 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.463 -8.120 -12.847 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.466 -9.789 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.909 -8.366 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.726 -10.827 -11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.989 -10.989 -11.950 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.478 -5.966 -11.757 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.265 -4.591 -11.336 1.00 0.00 C ATOM 1285 C GLY A 107 -10.962 -4.516 -9.838 1.00 0.00 C ATOM 1286 O GLY A 107 -11.166 -3.478 -9.211 1.00 0.00 O ATOM 0 H GLY A 107 -10.671 -6.407 -12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.439 -4.158 -11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.150 -3.997 -11.562 1.00 0.00 H new ATOM 1290 N THR A 108 -10.482 -5.631 -9.308 1.00 0.00 N ATOM 1291 CA THR A 108 -10.148 -5.705 -7.896 1.00 0.00 C ATOM 1292 C THR A 108 -8.631 -5.675 -7.703 1.00 0.00 C ATOM 1293 O THR A 108 -7.882 -6.112 -8.576 1.00 0.00 O ATOM 1294 CB THR A 108 -10.809 -6.959 -7.319 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.467 -7.987 -8.244 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.337 -6.896 -7.378 1.00 0.00 C ATOM 0 H THR A 108 -10.316 -6.491 -9.831 1.00 0.00 H new ATOM 0 HA THR A 108 -10.529 -4.839 -7.354 1.00 0.00 H new ATOM 0 HB THR A 108 -10.492 -7.094 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.854 -8.837 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.755 -7.810 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.688 -6.038 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.657 -6.795 -8.415 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.222 -5.155 -6.555 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.807 -5.062 -6.237 1.00 0.00 C ATOM 1306 C TRP A 109 -6.313 -6.462 -5.869 1.00 0.00 C ATOM 1307 O TRP A 109 -7.036 -7.443 -6.033 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.560 -4.031 -5.134 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.377 -2.602 -5.647 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.038 -1.499 -5.271 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.439 -2.163 -6.652 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.598 -0.385 -5.958 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.594 -0.802 -6.824 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.491 -2.891 -7.392 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.835 -0.052 -7.731 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.740 -2.127 -8.294 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.885 -0.757 -8.479 1.00 0.00 C ATOM 0 H TRP A 109 -8.846 -4.794 -5.833 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.240 -4.708 -7.098 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.398 -4.051 -4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.672 -4.321 -4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.818 -1.483 -4.524 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.946 0.568 -5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.353 -3.956 -7.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.975 1.013 -7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.996 -2.638 -8.887 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.267 -0.239 -9.197 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.082 -6.510 -5.378 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.482 -7.774 -4.985 1.00 0.00 C ATOM 1329 C ALA A 110 -4.650 -7.966 -3.476 1.00 0.00 C ATOM 1330 O ALA A 110 -5.603 -7.460 -2.884 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.015 -7.798 -5.416 1.00 0.00 C ATOM 0 H ALA A 110 -4.485 -5.694 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.981 -8.607 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.565 -8.746 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.952 -7.687 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.481 -6.978 -4.936 1.00 0.00 H new ATOM 1337 N SER A 111 -3.710 -8.698 -2.897 1.00 0.00 N ATOM 1338 CA SER A 111 -3.742 -8.963 -1.469 1.00 0.00 C ATOM 1339 C SER A 111 -3.077 -7.814 -0.709 1.00 0.00 C ATOM 1340 O SER A 111 -3.752 -7.034 -0.038 1.00 0.00 O ATOM 1341 CB SER A 111 -3.050 -10.288 -1.139 1.00 0.00 C ATOM 1342 OG SER A 111 -1.779 -10.398 -1.772 1.00 0.00 O ATOM 0 H SER A 111 -2.921 -9.116 -3.391 1.00 0.00 H new ATOM 0 HA SER A 111 -4.784 -9.041 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.926 -10.373 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.685 -11.117 -1.453 1.00 0.00 H new ATOM 0 HG SER A 111 -1.369 -11.256 -1.535 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.760 -7.745 -0.838 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.996 -6.705 -0.171 1.00 0.00 C ATOM 1349 C ARG A 112 0.044 -6.115 -1.126 1.00 0.00 C ATOM 1350 O ARG A 112 0.532 -6.803 -2.021 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.286 -7.251 1.069 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.676 -6.458 2.318 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.236 -7.381 3.402 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.295 -7.451 4.542 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.503 -8.185 5.644 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.621 -8.917 5.760 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.405 -8.189 6.629 1.00 0.00 N ATOM 0 H ARG A 112 -1.203 -8.393 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.695 -5.927 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.542 -8.302 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.793 -7.202 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.195 -5.927 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.419 -5.705 2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.204 -7.012 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.400 -8.378 2.993 1.00 0.00 H new ATOM 0 HE ARG A 112 0.566 -6.907 4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.312 -8.915 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.780 -9.476 6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.256 -7.633 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.246 -8.748 7.467 1.00 0.00 H new ATOM 1368 N VAL A 113 0.352 -4.845 -0.904 1.00 0.00 N ATOM 1369 CA VAL A 113 1.325 -4.155 -1.734 1.00 0.00 C ATOM 1370 C VAL A 113 2.612 -3.942 -0.934 1.00 0.00 C ATOM 1371 O VAL A 113 2.644 -3.134 -0.007 1.00 0.00 O ATOM 1372 CB VAL A 113 0.728 -2.850 -2.264 1.00 0.00 C ATOM 1373 CG1 VAL A 113 0.339 -1.918 -1.114 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.694 -2.157 -3.228 1.00 0.00 C ATOM 0 H VAL A 113 -0.055 -4.276 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 113 1.580 -4.758 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.178 -3.097 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.083 -0.998 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.401 -2.409 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.223 -1.682 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.245 -1.232 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.625 -1.930 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.900 -2.815 -4.072 1.00 0.00 H new