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 -174:sc= 0.588 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.01 K(o=-2,f=-3.1!) USER MOD Single : A 62 THR OG1 : rot 52:sc= 0.545 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -4.76! USER MOD Single : A 73 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.2!) USER MOD Single : A 74 SER OG : rot 167:sc= -4.99! 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= -0.649 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.890 -2.420 -13.892 1.00 0.00 N ATOM 592 CA THR A 58 -15.163 -2.636 -12.652 1.00 0.00 C ATOM 593 C THR A 58 -13.716 -2.162 -12.793 1.00 0.00 C ATOM 594 O THR A 58 -12.872 -2.880 -13.326 1.00 0.00 O ATOM 595 CB THR A 58 -15.285 -4.116 -12.284 1.00 0.00 C ATOM 596 OG1 THR A 58 -14.448 -4.259 -11.140 1.00 0.00 O ATOM 597 CG2 THR A 58 -14.647 -5.034 -13.329 1.00 0.00 C ATOM 0 HA THR A 58 -15.586 -2.048 -11.838 1.00 0.00 H new ATOM 0 HB THR A 58 -16.337 -4.375 -12.167 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.395 -5.205 -10.890 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.761 -6.073 -13.019 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.137 -4.886 -14.291 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.587 -4.798 -13.422 1.00 0.00 H new ATOM 605 N TYR A 59 -13.473 -0.954 -12.304 1.00 0.00 N ATOM 606 CA TYR A 59 -12.142 -0.374 -12.370 1.00 0.00 C ATOM 607 C TYR A 59 -11.558 -0.184 -10.968 1.00 0.00 C ATOM 608 O TYR A 59 -12.296 -0.139 -9.986 1.00 0.00 O ATOM 609 CB TYR A 59 -12.310 0.995 -13.030 1.00 0.00 C ATOM 610 CG TYR A 59 -11.016 1.569 -13.610 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.457 1.006 -14.740 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.408 2.650 -13.005 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.239 1.547 -15.286 1.00 0.00 C ATOM 614 CE2 TYR A 59 -9.189 3.190 -13.551 1.00 0.00 C ATOM 615 CZ TYR A 59 -8.666 2.611 -14.666 1.00 0.00 C ATOM 616 OH TYR A 59 -7.515 3.121 -15.181 1.00 0.00 O ATOM 0 H TYR A 59 -14.175 -0.362 -11.861 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.467 -1.025 -12.926 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.049 0.914 -13.827 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.709 1.695 -12.295 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.933 0.160 -15.214 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.846 3.091 -12.122 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.791 1.116 -16.169 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.702 4.034 -13.086 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.220 3.880 -14.635 1.00 0.00 H new ATOM 625 N CYS A 60 -10.238 -0.077 -10.922 1.00 0.00 N ATOM 626 CA CYS A 60 -9.547 0.108 -9.657 1.00 0.00 C ATOM 627 C CYS A 60 -9.753 1.554 -9.203 1.00 0.00 C ATOM 628 O CYS A 60 -9.595 2.484 -9.992 1.00 0.00 O ATOM 629 CB CYS A 60 -8.063 -0.250 -9.766 1.00 0.00 C ATOM 630 SG CYS A 60 -7.713 -1.807 -10.661 1.00 0.00 S ATOM 0 H CYS A 60 -9.629 -0.115 -11.740 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.963 -0.568 -8.910 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.543 0.566 -10.268 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.647 -0.323 -8.761 1.00 0.00 H new ATOM 634 N ASN A 61 -10.104 1.698 -7.933 1.00 0.00 N ATOM 635 CA ASN A 61 -10.334 3.015 -7.366 1.00 0.00 C ATOM 636 C ASN A 61 -9.041 3.522 -6.723 1.00 0.00 C ATOM 637 O ASN A 61 -8.091 2.760 -6.548 1.00 0.00 O ATOM 638 CB ASN A 61 -11.413 2.967 -6.281 1.00 0.00 C ATOM 639 CG ASN A 61 -11.805 4.377 -5.835 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.238 4.945 -4.915 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.803 4.908 -6.534 1.00 0.00 N ATOM 0 H ASN A 61 -10.234 0.924 -7.281 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.659 3.676 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.291 2.444 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.048 2.399 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.138 5.845 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.233 4.378 -7.292 1.00 0.00 H new ATOM 647 N THR A 62 -9.047 4.804 -6.390 1.00 0.00 N ATOM 648 CA THR A 62 -7.886 5.421 -5.771 1.00 0.00 C ATOM 649 C THR A 62 -7.971 5.310 -4.247 1.00 0.00 C ATOM 650 O THR A 62 -8.997 5.640 -3.654 1.00 0.00 O ATOM 651 CB THR A 62 -7.795 6.865 -6.271 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.679 7.406 -5.568 1.00 0.00 O ATOM 653 CG2 THR A 62 -8.976 7.719 -5.809 1.00 0.00 C ATOM 0 H THR A 62 -9.837 5.432 -6.537 1.00 0.00 H new ATOM 0 HA THR A 62 -6.968 4.906 -6.052 1.00 0.00 H new ATOM 0 HB THR A 62 -7.747 6.870 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.904 6.817 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.863 8.734 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.904 7.291 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.004 7.742 -4.720 1.00 0.00 H new ATOM 661 N THR A 63 -6.880 4.845 -3.658 1.00 0.00 N ATOM 662 CA THR A 63 -6.819 4.687 -2.215 1.00 0.00 C ATOM 663 C THR A 63 -5.419 4.244 -1.786 1.00 0.00 C ATOM 664 O THR A 63 -4.572 3.948 -2.628 1.00 0.00 O ATOM 665 CB THR A 63 -7.919 3.707 -1.799 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.268 4.117 -0.480 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.396 2.280 -1.621 1.00 0.00 C ATOM 0 H THR A 63 -6.031 4.572 -4.153 1.00 0.00 H new ATOM 0 HA THR A 63 -6.997 5.634 -1.706 1.00 0.00 H new ATOM 0 HB THR A 63 -8.711 3.711 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.977 3.536 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.217 1.626 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.972 1.928 -2.561 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.627 2.268 -0.849 1.00 0.00 H new ATOM 675 N LEU A 64 -5.217 4.215 -0.476 1.00 0.00 N ATOM 676 CA LEU A 64 -3.934 3.814 0.075 1.00 0.00 C ATOM 677 C LEU A 64 -4.156 2.757 1.159 1.00 0.00 C ATOM 678 O LEU A 64 -4.914 2.981 2.102 1.00 0.00 O ATOM 679 CB LEU A 64 -3.153 5.036 0.559 1.00 0.00 C ATOM 680 CG LEU A 64 -3.849 5.902 1.611 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.564 5.387 3.022 1.00 0.00 C ATOM 682 CD2 LEU A 64 -3.464 7.375 1.450 1.00 0.00 C ATOM 0 H LEU A 64 -5.921 4.463 0.219 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.316 3.355 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.202 4.696 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.924 5.661 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.925 5.831 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.071 6.021 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.928 4.364 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.490 5.409 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.972 7.969 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.386 7.484 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.760 7.722 0.460 1.00 0.00 H new ATOM 693 N ASP A 65 -3.484 1.628 0.988 1.00 0.00 N ATOM 694 CA ASP A 65 -3.599 0.537 1.940 1.00 0.00 C ATOM 695 C ASP A 65 -2.533 -0.516 1.633 1.00 0.00 C ATOM 696 O ASP A 65 -2.777 -1.713 1.780 1.00 0.00 O ATOM 697 CB ASP A 65 -4.970 -0.136 1.843 1.00 0.00 C ATOM 698 CG ASP A 65 -5.310 -1.079 2.999 1.00 0.00 C ATOM 699 OD1 ASP A 65 -5.204 -0.619 4.157 1.00 0.00 O ATOM 700 OD2 ASP A 65 -5.668 -2.238 2.700 1.00 0.00 O ATOM 0 H ASP A 65 -2.858 1.445 0.204 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.469 0.948 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.735 0.638 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.017 -0.697 0.910 1.00 0.00 H new ATOM 704 N GLN A 66 -1.373 -0.033 1.212 1.00 0.00 N ATOM 705 CA GLN A 66 -0.269 -0.918 0.883 1.00 0.00 C ATOM 706 C GLN A 66 0.966 -0.556 1.712 1.00 0.00 C ATOM 707 O GLN A 66 1.416 -1.347 2.540 1.00 0.00 O ATOM 708 CB GLN A 66 0.043 -0.873 -0.614 1.00 0.00 C ATOM 709 CG GLN A 66 -0.640 -2.027 -1.351 1.00 0.00 C ATOM 710 CD GLN A 66 -2.055 -1.639 -1.783 1.00 0.00 C ATOM 711 OE1 GLN A 66 -2.286 -1.152 -2.878 1.00 0.00 O ATOM 712 NE2 GLN A 66 -2.987 -1.882 -0.866 1.00 0.00 N ATOM 0 H GLN A 66 -1.174 0.960 1.091 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.561 -1.939 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.291 0.077 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.121 -0.927 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.052 -2.304 -2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.681 -2.903 -0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.726 -2.291 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.963 -1.659 -1.060 1.00 0.00 H new ATOM 719 N ILE A 67 1.480 0.638 1.460 1.00 0.00 N ATOM 720 CA ILE A 67 2.653 1.114 2.172 1.00 0.00 C ATOM 721 C ILE A 67 2.521 2.618 2.417 1.00 0.00 C ATOM 722 O ILE A 67 3.501 3.355 2.321 1.00 0.00 O ATOM 723 CB ILE A 67 3.929 0.723 1.424 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.673 0.618 -0.081 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.526 -0.565 1.993 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.913 1.025 -0.879 1.00 0.00 C ATOM 0 H ILE A 67 1.105 1.291 0.772 1.00 0.00 H new ATOM 0 HA ILE A 67 2.724 0.637 3.149 1.00 0.00 H new ATOM 0 HB ILE A 67 4.666 1.513 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.392 -0.404 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.834 1.257 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.432 -0.820 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.769 -0.419 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.803 -1.375 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.703 0.941 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.177 2.056 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.744 0.369 -0.620 1.00 0.00 H new ATOM 737 N GLY A 68 1.301 3.030 2.728 1.00 0.00 N ATOM 738 CA GLY A 68 1.027 4.433 2.987 1.00 0.00 C ATOM 739 C GLY A 68 0.899 5.217 1.680 1.00 0.00 C ATOM 740 O GLY A 68 0.601 6.411 1.695 1.00 0.00 O ATOM 0 H GLY A 68 0.490 2.416 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.107 4.527 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.827 4.858 3.593 1.00 0.00 H new ATOM 744 N THR A 69 1.133 4.515 0.581 1.00 0.00 N ATOM 745 CA THR A 69 1.048 5.131 -0.732 1.00 0.00 C ATOM 746 C THR A 69 -0.380 5.041 -1.273 1.00 0.00 C ATOM 747 O THR A 69 -1.100 4.088 -0.976 1.00 0.00 O ATOM 748 CB THR A 69 2.084 4.461 -1.637 1.00 0.00 C ATOM 749 OG1 THR A 69 3.278 5.202 -1.403 1.00 0.00 O ATOM 750 CG2 THR A 69 1.793 4.681 -3.123 1.00 0.00 C ATOM 0 H THR A 69 1.381 3.526 0.573 1.00 0.00 H new ATOM 0 HA THR A 69 1.277 6.196 -0.684 1.00 0.00 H new ATOM 0 HB THR A 69 2.112 3.392 -1.428 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.004 4.834 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.558 4.185 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.815 4.266 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.798 5.749 -3.341 1.00 0.00 H new ATOM 758 N CYS A 70 -0.748 6.043 -2.056 1.00 0.00 N ATOM 759 CA CYS A 70 -2.078 6.088 -2.641 1.00 0.00 C ATOM 760 C CYS A 70 -1.939 5.968 -4.160 1.00 0.00 C ATOM 761 O CYS A 70 -1.284 6.793 -4.795 1.00 0.00 O ATOM 762 CB CYS A 70 -2.831 7.356 -2.236 1.00 0.00 C ATOM 763 SG CYS A 70 -4.629 7.132 -1.980 1.00 0.00 S ATOM 0 H CYS A 70 -0.148 6.831 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.672 5.255 -2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.393 7.744 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.679 8.113 -3.005 1.00 0.00 H new ATOM 0 HG CYS A 70 -5.163 8.267 -1.639 1.00 0.00 H new ATOM 767 N TRP A 71 -2.566 4.933 -4.700 1.00 0.00 N ATOM 768 CA TRP A 71 -2.520 4.692 -6.132 1.00 0.00 C ATOM 769 C TRP A 71 -3.713 5.409 -6.769 1.00 0.00 C ATOM 770 O TRP A 71 -4.848 5.249 -6.323 1.00 0.00 O ATOM 771 CB TRP A 71 -2.490 3.195 -6.437 1.00 0.00 C ATOM 772 CG TRP A 71 -1.904 2.341 -5.310 1.00 0.00 C ATOM 773 CD1 TRP A 71 -2.460 2.042 -4.128 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.619 1.685 -5.308 1.00 0.00 C ATOM 775 NE1 TRP A 71 -1.629 1.244 -3.367 1.00 0.00 N ATOM 776 CE2 TRP A 71 -0.474 1.021 -4.107 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.389 1.655 -6.288 1.00 0.00 C ATOM 778 CZ2 TRP A 71 0.665 0.278 -3.774 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.521 0.907 -5.940 1.00 0.00 C ATOM 780 CH2 TRP A 71 1.681 0.233 -4.736 1.00 0.00 C ATOM 0 H TRP A 71 -3.109 4.251 -4.171 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.602 5.093 -6.561 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.505 2.857 -6.645 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.907 3.031 -7.344 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.435 2.382 -3.811 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.827 0.884 -2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.298 2.168 -7.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.755 -0.233 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.326 0.850 -6.658 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.586 -0.324 -4.543 1.00 0.00 H new ATOM 790 N PRO A 72 -3.407 6.205 -7.829 1.00 0.00 N ATOM 791 CA PRO A 72 -4.440 6.946 -8.532 1.00 0.00 C ATOM 792 C PRO A 72 -5.270 6.019 -9.423 1.00 0.00 C ATOM 793 O PRO A 72 -5.012 5.908 -10.620 1.00 0.00 O ATOM 794 CB PRO A 72 -3.694 8.013 -9.316 1.00 0.00 C ATOM 795 CG PRO A 72 -2.251 7.541 -9.393 1.00 0.00 C ATOM 796 CD PRO A 72 -2.073 6.419 -8.384 1.00 0.00 C ATOM 0 HA PRO A 72 -5.165 7.401 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.119 8.134 -10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.762 8.981 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.017 7.191 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.569 8.362 -9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.692 5.515 -8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.360 6.695 -7.607 1.00 0.00 H new ATOM 801 N GLN A 73 -6.249 5.377 -8.804 1.00 0.00 N ATOM 802 CA GLN A 73 -7.118 4.463 -9.525 1.00 0.00 C ATOM 803 C GLN A 73 -6.288 3.511 -10.387 1.00 0.00 C ATOM 804 O GLN A 73 -5.059 3.552 -10.358 1.00 0.00 O ATOM 805 CB GLN A 73 -8.134 5.230 -10.376 1.00 0.00 C ATOM 806 CG GLN A 73 -9.305 5.721 -9.522 1.00 0.00 C ATOM 807 CD GLN A 73 -10.618 5.660 -10.305 1.00 0.00 C ATOM 808 OE1 GLN A 73 -11.628 5.159 -9.838 1.00 0.00 O ATOM 809 NE2 GLN A 73 -10.548 6.197 -11.520 1.00 0.00 N ATOM 0 H GLN A 73 -6.460 5.472 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.675 3.871 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.646 6.080 -10.853 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.505 4.586 -11.173 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.385 5.110 -8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.119 6.745 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.671 6.600 -11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.371 6.206 -12.122 1.00 0.00 H new ATOM 816 N SER A 74 -6.993 2.674 -11.136 1.00 0.00 N ATOM 817 CA SER A 74 -6.337 1.712 -12.006 1.00 0.00 C ATOM 818 C SER A 74 -7.380 0.822 -12.682 1.00 0.00 C ATOM 819 O SER A 74 -8.577 0.969 -12.442 1.00 0.00 O ATOM 820 CB SER A 74 -5.335 0.858 -11.225 1.00 0.00 C ATOM 821 OG SER A 74 -5.452 1.050 -9.818 1.00 0.00 O ATOM 0 H SER A 74 -8.012 2.643 -11.158 1.00 0.00 H new ATOM 0 HA SER A 74 -5.787 2.261 -12.771 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.494 -0.194 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.322 1.107 -11.542 1.00 0.00 H new ATOM 0 HG SER A 74 -4.953 0.348 -9.350 1.00 0.00 H new ATOM 826 N ALA A 75 -6.888 -0.082 -13.517 1.00 0.00 N ATOM 827 CA ALA A 75 -7.762 -0.996 -14.231 1.00 0.00 C ATOM 828 C ALA A 75 -7.529 -2.421 -13.723 1.00 0.00 C ATOM 829 O ALA A 75 -6.548 -2.682 -13.027 1.00 0.00 O ATOM 830 CB ALA A 75 -7.518 -0.866 -15.736 1.00 0.00 C ATOM 0 H ALA A 75 -5.894 -0.200 -13.715 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.808 -0.748 -14.048 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.174 -1.552 -16.272 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.727 0.156 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.479 -1.109 -15.959 1.00 0.00 H new ATOM 836 N PRO A 76 -8.469 -3.327 -14.101 1.00 0.00 N ATOM 837 CA PRO A 76 -8.375 -4.718 -13.691 1.00 0.00 C ATOM 838 C PRO A 76 -7.295 -5.453 -14.489 1.00 0.00 C ATOM 839 O PRO A 76 -7.095 -5.174 -15.670 1.00 0.00 O ATOM 840 CB PRO A 76 -9.767 -5.287 -13.910 1.00 0.00 C ATOM 841 CG PRO A 76 -10.464 -4.331 -14.864 1.00 0.00 C ATOM 842 CD PRO A 76 -9.643 -3.053 -14.925 1.00 0.00 C ATOM 0 HA PRO A 76 -8.073 -4.831 -12.650 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.716 -6.291 -14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.310 -5.364 -12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.551 -4.776 -15.855 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.476 -4.119 -14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.360 -2.813 -15.950 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.206 -2.202 -14.542 1.00 0.00 H new ATOM 847 N GLY A 77 -6.631 -6.377 -13.813 1.00 0.00 N ATOM 848 CA GLY A 77 -5.577 -7.154 -14.444 1.00 0.00 C ATOM 849 C GLY A 77 -4.498 -6.241 -15.028 1.00 0.00 C ATOM 850 O GLY A 77 -3.689 -6.675 -15.846 1.00 0.00 O ATOM 0 H GLY A 77 -6.802 -6.606 -12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.131 -7.829 -13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.001 -7.774 -15.234 1.00 0.00 H new ATOM 854 N ALA A 78 -4.521 -4.993 -14.585 1.00 0.00 N ATOM 855 CA ALA A 78 -3.553 -4.015 -15.054 1.00 0.00 C ATOM 856 C ALA A 78 -2.181 -4.335 -14.459 1.00 0.00 C ATOM 857 O ALA A 78 -1.852 -5.500 -14.241 1.00 0.00 O ATOM 858 CB ALA A 78 -4.032 -2.608 -14.691 1.00 0.00 C ATOM 0 H ALA A 78 -5.194 -4.636 -13.907 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.459 -4.058 -16.139 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.306 -1.875 -15.043 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.996 -2.419 -15.162 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.135 -2.527 -13.609 1.00 0.00 H new ATOM 864 N LEU A 79 -1.417 -3.281 -14.214 1.00 0.00 N ATOM 865 CA LEU A 79 -0.087 -3.435 -13.649 1.00 0.00 C ATOM 866 C LEU A 79 0.341 -2.118 -12.997 1.00 0.00 C ATOM 867 O LEU A 79 0.995 -1.293 -13.631 1.00 0.00 O ATOM 868 CB LEU A 79 0.891 -3.943 -14.710 1.00 0.00 C ATOM 869 CG LEU A 79 1.610 -5.254 -14.386 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.141 -5.249 -12.951 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.705 -6.458 -14.659 1.00 0.00 C ATOM 0 H LEU A 79 -1.694 -2.316 -14.396 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.091 -4.192 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.347 -4.072 -15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.642 -3.172 -14.882 1.00 0.00 H new ATOM 0 HG LEU A 79 2.472 -5.343 -15.047 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.647 -6.192 -12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.844 -4.425 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.310 -5.126 -12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.240 -7.377 -14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.190 -6.388 -14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.419 -6.467 -15.711 1.00 0.00 H new ATOM 882 N VAL A 80 -0.045 -1.965 -11.739 1.00 0.00 N ATOM 883 CA VAL A 80 0.291 -0.763 -10.994 1.00 0.00 C ATOM 884 C VAL A 80 1.633 -0.964 -10.289 1.00 0.00 C ATOM 885 O VAL A 80 1.696 -0.992 -9.061 1.00 0.00 O ATOM 886 CB VAL A 80 -0.843 -0.410 -10.031 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.440 0.741 -9.106 1.00 0.00 C ATOM 888 CG2 VAL A 80 -2.127 -0.076 -10.793 1.00 0.00 C ATOM 0 H VAL A 80 -0.587 -2.653 -11.217 1.00 0.00 H new ATOM 0 HA VAL A 80 0.402 0.086 -11.669 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.039 -1.285 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.265 0.972 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.435 0.451 -8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.202 1.621 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.917 0.171 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.949 0.776 -11.450 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.431 -0.937 -11.389 1.00 0.00 H new ATOM 898 N GLU A 81 2.675 -1.098 -11.096 1.00 0.00 N ATOM 899 CA GLU A 81 4.013 -1.297 -10.565 1.00 0.00 C ATOM 900 C GLU A 81 4.554 0.013 -9.987 1.00 0.00 C ATOM 901 O GLU A 81 4.349 1.081 -10.562 1.00 0.00 O ATOM 902 CB GLU A 81 4.954 -1.852 -11.637 1.00 0.00 C ATOM 903 CG GLU A 81 4.327 -3.054 -12.347 1.00 0.00 C ATOM 904 CD GLU A 81 5.103 -3.405 -13.618 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.057 -2.583 -14.557 1.00 0.00 O ATOM 906 OE2 GLU A 81 5.724 -4.490 -13.621 1.00 0.00 O ATOM 0 H GLU A 81 2.620 -1.073 -12.114 1.00 0.00 H new ATOM 0 HA GLU A 81 3.958 -2.032 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.182 -1.073 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.898 -2.147 -11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.315 -3.912 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.290 -2.832 -12.599 1.00 0.00 H new ATOM 911 N ARG A 82 5.233 -0.112 -8.857 1.00 0.00 N ATOM 912 CA ARG A 82 5.805 1.048 -8.194 1.00 0.00 C ATOM 913 C ARG A 82 6.980 0.629 -7.309 1.00 0.00 C ATOM 914 O ARG A 82 6.889 -0.355 -6.575 1.00 0.00 O ATOM 915 CB ARG A 82 4.759 1.763 -7.336 1.00 0.00 C ATOM 916 CG ARG A 82 5.083 3.253 -7.204 1.00 0.00 C ATOM 917 CD ARG A 82 3.808 4.078 -7.022 1.00 0.00 C ATOM 918 NE ARG A 82 2.809 3.698 -8.047 1.00 0.00 N ATOM 919 CZ ARG A 82 2.746 4.239 -9.270 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.622 5.187 -9.631 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.806 3.833 -10.134 1.00 0.00 N ATOM 0 H ARG A 82 5.400 -0.999 -8.383 1.00 0.00 H new ATOM 0 HA ARG A 82 6.155 1.732 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.772 1.640 -7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.721 1.306 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.747 3.410 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.616 3.593 -8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.399 3.915 -6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.038 5.140 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 82 2.126 2.979 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.338 5.497 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.573 5.598 -10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.139 3.112 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.758 4.245 -11.066 1.00 0.00 H new ATOM 1166 N ALA A 99 7.840 -2.667 -5.261 1.00 0.00 N ATOM 1167 CA ALA A 99 6.540 -2.318 -4.713 1.00 0.00 C ATOM 1168 C ALA A 99 5.498 -2.329 -5.834 1.00 0.00 C ATOM 1169 O ALA A 99 4.775 -1.352 -6.024 1.00 0.00 O ATOM 1170 CB ALA A 99 6.629 -0.960 -4.014 1.00 0.00 C ATOM 0 HA ALA A 99 6.229 -3.050 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.654 -0.698 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.361 -1.013 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.936 -0.200 -4.733 1.00 0.00 H new ATOM 1176 N TYR A 100 5.455 -3.445 -6.548 1.00 0.00 N ATOM 1177 CA TYR A 100 4.514 -3.596 -7.644 1.00 0.00 C ATOM 1178 C TYR A 100 3.296 -4.414 -7.212 1.00 0.00 C ATOM 1179 O TYR A 100 3.344 -5.123 -6.209 1.00 0.00 O ATOM 1180 CB TYR A 100 5.263 -4.356 -8.741 1.00 0.00 C ATOM 1181 CG TYR A 100 6.779 -4.153 -8.714 1.00 0.00 C ATOM 1182 CD1 TYR A 100 7.317 -2.928 -9.053 1.00 0.00 C ATOM 1183 CD2 TYR A 100 7.609 -5.195 -8.352 1.00 0.00 C ATOM 1184 CE1 TYR A 100 8.743 -2.737 -9.029 1.00 0.00 C ATOM 1185 CE2 TYR A 100 9.036 -5.004 -8.327 1.00 0.00 C ATOM 1186 CZ TYR A 100 9.532 -3.784 -8.667 1.00 0.00 C ATOM 1187 OH TYR A 100 10.880 -3.603 -8.644 1.00 0.00 O ATOM 0 H TYR A 100 6.057 -4.253 -6.388 1.00 0.00 H new ATOM 0 HA TYR A 100 4.156 -2.623 -7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.047 -5.420 -8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.882 -4.041 -9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.668 -2.113 -9.336 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.188 -6.154 -8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.177 -1.784 -9.292 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.697 -5.810 -8.045 1.00 0.00 H new ATOM 0 HH TYR A 100 11.317 -4.435 -8.366 1.00 0.00 H new ATOM 1196 N ARG A 101 2.232 -4.290 -7.993 1.00 0.00 N ATOM 1197 CA ARG A 101 1.004 -5.010 -7.704 1.00 0.00 C ATOM 1198 C ARG A 101 0.131 -5.093 -8.957 1.00 0.00 C ATOM 1199 O ARG A 101 0.067 -4.145 -9.739 1.00 0.00 O ATOM 1200 CB ARG A 101 0.214 -4.325 -6.586 1.00 0.00 C ATOM 1201 CG ARG A 101 0.094 -2.821 -6.841 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.217 -2.272 -6.274 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.238 -3.342 -6.233 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.667 -4.013 -7.311 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.165 -3.730 -8.521 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.597 -4.970 -7.178 1.00 0.00 N ATOM 0 H ARG A 101 2.196 -3.702 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 101 1.277 -6.014 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.780 -4.766 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.707 -4.497 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.937 -2.303 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.141 -2.625 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.052 -1.877 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.570 -1.444 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.641 -3.584 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.456 -3.004 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.492 -4.241 -9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.977 -5.187 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.924 -5.481 -7.998 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.521 -6.237 -9.110 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.388 -6.456 -10.255 1.00 0.00 C ATOM 1219 C GLU A 102 -2.856 -6.333 -9.842 1.00 0.00 C ATOM 1220 O GLU A 102 -3.286 -6.954 -8.871 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.112 -7.818 -10.898 1.00 0.00 C ATOM 1222 CG GLU A 102 -0.721 -8.854 -9.842 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.600 -10.249 -10.460 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.419 -10.478 -11.146 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.529 -11.053 -10.232 1.00 0.00 O ATOM 0 H GLU A 102 -0.466 -7.021 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.175 -5.688 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.998 -8.157 -11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.312 -7.722 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.227 -8.572 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.467 -8.868 -9.047 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.584 -5.526 -10.600 1.00 0.00 N ATOM 1231 CA CYS A 103 -4.996 -5.314 -10.325 1.00 0.00 C ATOM 1232 C CYS A 103 -5.745 -6.614 -10.620 1.00 0.00 C ATOM 1233 O CYS A 103 -5.573 -7.205 -11.685 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.557 -4.137 -11.126 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.053 -2.691 -10.120 1.00 0.00 S ATOM 0 H CYS A 103 -3.224 -5.011 -11.404 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.129 -5.051 -9.276 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.807 -3.818 -11.850 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.422 -4.481 -11.693 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.559 -7.022 -9.659 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.336 -8.241 -9.802 1.00 0.00 C ATOM 1241 C LEU A 104 -8.269 -8.109 -11.007 1.00 0.00 C ATOM 1242 O LEU A 104 -8.547 -7.000 -11.461 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.062 -8.572 -8.496 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.605 -9.843 -7.779 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -7.966 -11.090 -8.588 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.111 -9.784 -7.454 1.00 0.00 C ATOM 0 H LEU A 104 -6.698 -6.529 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.679 -9.089 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.942 -7.731 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.127 -8.661 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.138 -9.909 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.630 -11.979 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.047 -11.135 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.479 -11.045 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.813 -10.700 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.542 -9.681 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.913 -8.929 -6.808 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.726 -9.254 -11.491 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.622 -9.279 -12.635 1.00 0.00 C ATOM 1259 C GLU A 105 -10.993 -8.722 -12.247 1.00 0.00 C ATOM 1260 O GLU A 105 -11.872 -8.581 -13.096 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.745 -10.694 -13.204 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.928 -10.661 -14.721 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.801 -12.063 -15.321 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.708 -12.879 -15.053 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -8.798 -12.287 -16.032 1.00 0.00 O ATOM 0 H GLU A 105 -8.493 -10.172 -11.112 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.202 -8.645 -13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.853 -11.269 -12.954 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.592 -11.203 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.906 -10.245 -14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.182 -10.002 -15.166 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.133 -8.422 -10.964 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.383 -7.882 -10.454 1.00 0.00 C ATOM 1272 C ASN A 106 -12.258 -6.365 -10.310 1.00 0.00 C ATOM 1273 O ASN A 106 -13.144 -5.716 -9.755 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.711 -8.464 -9.077 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.053 -9.198 -9.098 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.114 -8.605 -9.196 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -13.947 -10.520 -9.000 1.00 0.00 N ATOM 0 H ASN A 106 -10.402 -8.542 -10.263 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.175 -8.144 -11.155 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.922 -9.151 -8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.742 -7.664 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.786 -11.101 -9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.027 -10.953 -8.921 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.151 -5.843 -10.818 1.00 0.00 N ATOM 1284 CA GLY A 107 -10.899 -4.414 -10.752 1.00 0.00 C ATOM 1285 C GLY A 107 -10.594 -3.976 -9.319 1.00 0.00 C ATOM 1286 O GLY A 107 -10.624 -2.786 -9.009 1.00 0.00 O ATOM 0 H GLY A 107 -10.419 -6.385 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.061 -4.159 -11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.767 -3.871 -11.125 1.00 0.00 H new ATOM 1290 N THR A 108 -10.306 -4.962 -8.481 1.00 0.00 N ATOM 1291 CA THR A 108 -9.995 -4.693 -7.087 1.00 0.00 C ATOM 1292 C THR A 108 -8.493 -4.458 -6.912 1.00 0.00 C ATOM 1293 O THR A 108 -7.728 -4.566 -7.869 1.00 0.00 O ATOM 1294 CB THR A 108 -10.528 -5.858 -6.251 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.925 -7.010 -6.834 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.029 -6.083 -6.451 1.00 0.00 C ATOM 0 H THR A 108 -10.282 -5.948 -8.741 1.00 0.00 H new ATOM 0 HA THR A 108 -10.478 -3.779 -6.743 1.00 0.00 H new ATOM 0 HB THR A 108 -10.325 -5.670 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.216 -7.811 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.357 -6.921 -5.835 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.573 -5.185 -6.160 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.227 -6.304 -7.500 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.116 -4.140 -5.682 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.720 -3.889 -5.369 1.00 0.00 C ATOM 1306 C TRP A 109 -6.105 -5.196 -4.867 1.00 0.00 C ATOM 1307 O TRP A 109 -6.790 -6.214 -4.776 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.582 -2.740 -4.367 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.405 -1.365 -5.017 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.076 -0.236 -4.753 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.465 -1.020 -6.055 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.639 0.807 -5.542 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.628 0.316 -6.359 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.507 -1.811 -6.716 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.868 0.979 -7.330 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.757 -1.133 -7.684 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.908 0.212 -8.002 1.00 0.00 C ATOM 0 H TRP A 109 -8.753 -4.051 -4.891 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.177 -3.568 -6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.467 -2.718 -3.730 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.728 -2.937 -3.719 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.860 -0.153 -4.015 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.993 1.764 -5.528 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.362 -2.858 -6.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.014 2.026 -7.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.008 -1.695 -8.222 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.288 0.663 -8.763 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.818 -5.126 -4.556 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.104 -6.293 -4.066 1.00 0.00 C ATOM 1329 C ALA A 110 -4.011 -6.226 -2.540 1.00 0.00 C ATOM 1330 O ALA A 110 -3.819 -5.151 -1.974 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.727 -6.363 -4.731 1.00 0.00 C ATOM 0 H ALA A 110 -4.253 -4.281 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.639 -7.207 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.190 -7.238 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.848 -6.438 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.161 -5.463 -4.491 1.00 0.00 H new ATOM 1337 N SER A 111 -4.154 -7.387 -1.920 1.00 0.00 N ATOM 1338 CA SER A 111 -4.089 -7.474 -0.470 1.00 0.00 C ATOM 1339 C SER A 111 -2.950 -6.598 0.055 1.00 0.00 C ATOM 1340 O SER A 111 -3.154 -5.783 0.954 1.00 0.00 O ATOM 1341 CB SER A 111 -3.900 -8.922 -0.014 1.00 0.00 C ATOM 1342 OG SER A 111 -5.071 -9.442 0.610 1.00 0.00 O ATOM 0 H SER A 111 -4.315 -8.276 -2.394 1.00 0.00 H new ATOM 0 HA SER A 111 -5.033 -7.114 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.641 -9.542 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.063 -8.977 0.682 1.00 0.00 H new ATOM 0 HG SER A 111 -4.911 -10.369 0.885 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.776 -6.797 -0.525 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.605 -6.035 -0.126 1.00 0.00 C ATOM 1349 C ARG A 112 0.512 -6.198 -1.159 1.00 0.00 C ATOM 1350 O ARG A 112 0.932 -7.317 -1.453 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.094 -6.489 1.243 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.404 -5.444 2.317 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.028 -6.095 3.553 1.00 0.00 C ATOM 1354 NE ARG A 112 0.010 -6.321 4.584 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.186 -7.030 5.704 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.380 -7.587 5.945 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.815 -7.182 6.583 1.00 0.00 N ATOM 0 H ARG A 112 -1.610 -7.475 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.897 -4.987 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.556 -7.439 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.982 -6.659 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.512 -4.924 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.085 -4.694 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.816 -5.456 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.493 -7.042 3.280 1.00 0.00 H new ATOM 0 HE ARG A 112 0.932 -5.912 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.141 -7.472 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.528 -8.127 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.724 -6.758 6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.667 -7.721 7.436 1.00 0.00 H new ATOM 1368 N VAL A 113 0.961 -5.067 -1.682 1.00 0.00 N ATOM 1369 CA VAL A 113 2.021 -5.070 -2.676 1.00 0.00 C ATOM 1370 C VAL A 113 3.104 -6.067 -2.256 1.00 0.00 C ATOM 1371 O VAL A 113 3.356 -6.251 -1.066 1.00 0.00 O ATOM 1372 CB VAL A 113 2.558 -3.651 -2.873 1.00 0.00 C ATOM 1373 CG1 VAL A 113 3.175 -3.114 -1.580 1.00 0.00 C ATOM 1374 CG2 VAL A 113 3.564 -3.601 -4.024 1.00 0.00 C ATOM 0 H VAL A 113 0.610 -4.141 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 113 1.637 -5.394 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 113 1.718 -3.008 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.549 -2.104 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.418 -3.095 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.998 -3.760 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.930 -2.581 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.401 -4.264 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.079 -3.922 -4.946 1.00 0.00 H new