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 37:sc= 0.0969 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00965 USER MOD Single : A 61 ASN : amide:sc= -0.463 K(o=-0.46,f=-4.2!) USER MOD Single : A 62 THR OG1 : rot 16:sc= 0.557 USER MOD Single : A 63 THR OG1 : rot 43:sc= 1.22 USER MOD Single : A 66 GLN : amide:sc= -0.998 X(o=-1,f=-1.1!) USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.855 USER MOD Single : A 70 CYS SG : rot 10:sc= 1.03 USER MOD Single : A 73 GLN : amide:sc= -4.57! K(o=-4.6!,f=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0977 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.0047) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -16.078 -1.495 -14.688 1.00 0.00 N ATOM 592 CA THR A 58 -15.553 -2.145 -13.499 1.00 0.00 C ATOM 593 C THR A 58 -14.065 -1.832 -13.334 1.00 0.00 C ATOM 594 O THR A 58 -13.236 -2.740 -13.285 1.00 0.00 O ATOM 595 CB THR A 58 -15.850 -3.642 -13.609 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.266 -3.727 -13.466 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.307 -4.435 -12.419 1.00 0.00 C ATOM 0 HA THR A 58 -16.035 -1.768 -12.597 1.00 0.00 H new ATOM 0 HB THR A 58 -15.419 -4.031 -14.532 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.686 -2.964 -13.914 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.545 -5.491 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.226 -4.311 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.763 -4.069 -11.499 1.00 0.00 H new ATOM 605 N TYR A 59 -13.770 -0.542 -13.251 1.00 0.00 N ATOM 606 CA TYR A 59 -12.396 -0.097 -13.092 1.00 0.00 C ATOM 607 C TYR A 59 -11.951 -0.204 -11.633 1.00 0.00 C ATOM 608 O TYR A 59 -12.771 -0.436 -10.745 1.00 0.00 O ATOM 609 CB TYR A 59 -12.377 1.373 -13.513 1.00 0.00 C ATOM 610 CG TYR A 59 -11.143 1.773 -14.325 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.880 1.152 -15.529 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.295 2.754 -13.853 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.718 1.528 -16.293 1.00 0.00 C ATOM 614 CE2 TYR A 59 -9.134 3.130 -14.618 1.00 0.00 C ATOM 615 CZ TYR A 59 -8.903 2.499 -15.800 1.00 0.00 C ATOM 616 OH TYR A 59 -7.806 2.854 -16.521 1.00 0.00 O ATOM 0 H TYR A 59 -14.459 0.209 -13.291 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.722 -0.711 -13.690 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.270 1.583 -14.102 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.429 1.996 -12.620 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.545 0.385 -15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.502 3.239 -12.911 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.499 1.050 -17.236 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.462 3.896 -14.261 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.318 3.560 -16.048 1.00 0.00 H new ATOM 625 N CYS A 60 -10.654 -0.029 -11.428 1.00 0.00 N ATOM 626 CA CYS A 60 -10.090 -0.103 -10.091 1.00 0.00 C ATOM 627 C CYS A 60 -10.306 1.247 -9.404 1.00 0.00 C ATOM 628 O CYS A 60 -10.417 2.276 -10.069 1.00 0.00 O ATOM 629 CB CYS A 60 -8.612 -0.497 -10.121 1.00 0.00 C ATOM 630 SG CYS A 60 -8.297 -2.270 -10.450 1.00 0.00 S ATOM 0 H CYS A 60 -9.977 0.164 -12.166 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.595 -0.885 -9.523 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.108 0.095 -10.885 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.161 -0.234 -9.164 1.00 0.00 H new ATOM 634 N ASN A 61 -10.359 1.200 -8.081 1.00 0.00 N ATOM 635 CA ASN A 61 -10.561 2.407 -7.296 1.00 0.00 C ATOM 636 C ASN A 61 -9.222 2.855 -6.707 1.00 0.00 C ATOM 637 O ASN A 61 -8.234 2.126 -6.774 1.00 0.00 O ATOM 638 CB ASN A 61 -11.527 2.155 -6.138 1.00 0.00 C ATOM 639 CG ASN A 61 -12.021 3.473 -5.539 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.023 4.513 -6.178 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.438 3.374 -4.281 1.00 0.00 N ATOM 0 H ASN A 61 -10.266 0.345 -7.532 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.977 3.172 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.377 1.570 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.031 1.565 -5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.786 4.199 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.410 2.473 -3.804 1.00 0.00 H new ATOM 647 N THR A 62 -9.233 4.053 -6.142 1.00 0.00 N ATOM 648 CA THR A 62 -8.032 4.609 -5.542 1.00 0.00 C ATOM 649 C THR A 62 -8.013 4.334 -4.036 1.00 0.00 C ATOM 650 O THR A 62 -9.051 4.391 -3.379 1.00 0.00 O ATOM 651 CB THR A 62 -7.973 6.097 -5.889 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.653 6.488 -5.525 1.00 0.00 O ATOM 653 CG2 THR A 62 -8.874 6.944 -4.986 1.00 0.00 C ATOM 0 H THR A 62 -10.055 4.655 -6.087 1.00 0.00 H new ATOM 0 HA THR A 62 -7.135 4.134 -5.940 1.00 0.00 H new ATOM 0 HB THR A 62 -8.264 6.238 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.098 5.690 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.795 7.992 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.908 6.615 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.561 6.828 -3.948 1.00 0.00 H new ATOM 661 N THR A 63 -6.822 4.042 -3.535 1.00 0.00 N ATOM 662 CA THR A 63 -6.654 3.759 -2.119 1.00 0.00 C ATOM 663 C THR A 63 -5.170 3.623 -1.776 1.00 0.00 C ATOM 664 O THR A 63 -4.347 3.364 -2.652 1.00 0.00 O ATOM 665 CB THR A 63 -7.473 2.511 -1.787 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.666 3.023 -1.202 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.839 1.675 -0.672 1.00 0.00 C ATOM 0 H THR A 63 -5.964 3.995 -4.084 1.00 0.00 H new ATOM 0 HA THR A 63 -7.023 4.580 -1.504 1.00 0.00 H new ATOM 0 HB THR A 63 -7.582 1.899 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.979 3.794 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.460 0.801 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.845 1.352 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.761 2.276 0.234 1.00 0.00 H new ATOM 675 N LEU A 64 -4.873 3.802 -0.496 1.00 0.00 N ATOM 676 CA LEU A 64 -3.503 3.703 -0.025 1.00 0.00 C ATOM 677 C LEU A 64 -3.257 2.295 0.522 1.00 0.00 C ATOM 678 O LEU A 64 -4.203 1.565 0.813 1.00 0.00 O ATOM 679 CB LEU A 64 -3.199 4.815 0.980 1.00 0.00 C ATOM 680 CG LEU A 64 -4.036 4.809 2.261 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.342 4.008 3.365 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.366 6.234 2.707 1.00 0.00 C ATOM 0 H LEU A 64 -5.559 4.015 0.228 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.806 3.852 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.147 4.750 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.339 5.775 0.483 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.982 4.312 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.957 4.019 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.202 2.979 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.372 4.454 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.961 6.201 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.441 6.779 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.931 6.739 1.923 1.00 0.00 H new ATOM 693 N ASP A 65 -1.982 1.958 0.646 1.00 0.00 N ATOM 694 CA ASP A 65 -1.601 0.651 1.154 1.00 0.00 C ATOM 695 C ASP A 65 -0.971 0.810 2.539 1.00 0.00 C ATOM 696 O ASP A 65 -1.207 1.805 3.222 1.00 0.00 O ATOM 697 CB ASP A 65 -0.570 -0.016 0.240 1.00 0.00 C ATOM 698 CG ASP A 65 -0.660 -1.542 0.169 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.564 -2.089 0.837 1.00 0.00 O ATOM 700 OD2 ASP A 65 0.177 -2.127 -0.552 1.00 0.00 O ATOM 0 H ASP A 65 -1.200 2.567 0.404 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.498 0.033 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.684 0.387 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.428 0.259 0.582 1.00 0.00 H new ATOM 704 N GLN A 66 -0.180 -0.185 2.913 1.00 0.00 N ATOM 705 CA GLN A 66 0.485 -0.167 4.204 1.00 0.00 C ATOM 706 C GLN A 66 1.756 0.681 4.135 1.00 0.00 C ATOM 707 O GLN A 66 2.357 0.992 5.163 1.00 0.00 O ATOM 708 CB GLN A 66 0.801 -1.588 4.678 1.00 0.00 C ATOM 709 CG GLN A 66 0.128 -1.879 6.022 1.00 0.00 C ATOM 710 CD GLN A 66 0.969 -1.344 7.183 1.00 0.00 C ATOM 711 OE1 GLN A 66 1.514 -0.253 7.136 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.043 -2.169 8.223 1.00 0.00 N ATOM 0 H GLN A 66 0.015 -1.009 2.344 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.190 0.283 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.461 -2.308 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.880 -1.712 4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.861 -1.422 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.015 -2.954 6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.562 -3.068 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.581 -1.903 9.048 1.00 0.00 H new ATOM 719 N ILE A 67 2.129 1.033 2.913 1.00 0.00 N ATOM 720 CA ILE A 67 3.317 1.841 2.696 1.00 0.00 C ATOM 721 C ILE A 67 2.903 3.290 2.432 1.00 0.00 C ATOM 722 O ILE A 67 3.503 3.968 1.599 1.00 0.00 O ATOM 723 CB ILE A 67 4.181 1.235 1.587 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.422 1.198 0.260 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.701 -0.146 1.989 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.376 1.379 -0.922 1.00 0.00 C ATOM 0 H ILE A 67 1.629 0.773 2.063 1.00 0.00 H new ATOM 0 HA ILE A 67 3.942 1.847 3.589 1.00 0.00 H new ATOM 0 HB ILE A 67 5.051 1.876 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.895 0.249 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.667 1.984 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.312 -0.554 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.304 -0.059 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.858 -0.811 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.811 1.349 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.883 2.340 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.115 0.577 -0.920 1.00 0.00 H new ATOM 737 N GLY A 68 1.881 3.721 3.156 1.00 0.00 N ATOM 738 CA GLY A 68 1.380 5.077 3.011 1.00 0.00 C ATOM 739 C GLY A 68 1.524 5.562 1.566 1.00 0.00 C ATOM 740 O GLY A 68 1.970 6.682 1.326 1.00 0.00 O ATOM 0 H GLY A 68 1.386 3.155 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.332 5.115 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.926 5.744 3.679 1.00 0.00 H new ATOM 744 N THR A 69 1.136 4.694 0.643 1.00 0.00 N ATOM 745 CA THR A 69 1.216 5.020 -0.771 1.00 0.00 C ATOM 746 C THR A 69 -0.175 4.983 -1.406 1.00 0.00 C ATOM 747 O THR A 69 -0.759 3.913 -1.570 1.00 0.00 O ATOM 748 CB THR A 69 2.208 4.054 -1.423 1.00 0.00 C ATOM 749 OG1 THR A 69 3.451 4.359 -0.798 1.00 0.00 O ATOM 750 CG2 THR A 69 2.446 4.370 -2.902 1.00 0.00 C ATOM 0 H THR A 69 0.766 3.766 0.847 1.00 0.00 H new ATOM 0 HA THR A 69 1.581 6.036 -0.923 1.00 0.00 H new ATOM 0 HB THR A 69 1.839 3.033 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.480 3.947 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.157 3.656 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.503 4.301 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.847 5.379 -2.999 1.00 0.00 H new ATOM 758 N CYS A 70 -0.666 6.166 -1.746 1.00 0.00 N ATOM 759 CA CYS A 70 -1.978 6.283 -2.361 1.00 0.00 C ATOM 760 C CYS A 70 -1.862 5.863 -3.826 1.00 0.00 C ATOM 761 O CYS A 70 -1.074 6.435 -4.579 1.00 0.00 O ATOM 762 CB CYS A 70 -2.547 7.695 -2.214 1.00 0.00 C ATOM 763 SG CYS A 70 -2.117 8.840 -3.575 1.00 0.00 S ATOM 0 H CYS A 70 -0.179 7.052 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.681 5.624 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.633 7.629 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.191 8.119 -1.275 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.553 8.175 -4.540 1.00 0.00 H new ATOM 767 N TRP A 71 -2.658 4.868 -4.189 1.00 0.00 N ATOM 768 CA TRP A 71 -2.653 4.364 -5.553 1.00 0.00 C ATOM 769 C TRP A 71 -3.903 4.897 -6.256 1.00 0.00 C ATOM 770 O TRP A 71 -5.022 4.670 -5.799 1.00 0.00 O ATOM 771 CB TRP A 71 -2.559 2.838 -5.573 1.00 0.00 C ATOM 772 CG TRP A 71 -1.359 2.277 -4.810 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.250 2.055 -3.492 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.094 1.874 -5.373 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.012 1.541 -3.167 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.715 1.427 -4.347 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.354 1.885 -6.706 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.019 0.959 -4.547 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.660 1.415 -6.888 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.486 0.962 -5.866 1.00 0.00 C ATOM 0 H TRP A 71 -3.311 4.397 -3.563 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.773 4.715 -6.092 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.473 2.423 -5.148 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.507 2.501 -6.608 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.033 2.254 -2.775 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.311 1.290 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.261 2.229 -7.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.632 0.614 -3.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.054 1.404 -7.894 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.484 0.614 -6.089 1.00 0.00 H new ATOM 790 N PRO A 72 -3.665 5.613 -7.387 1.00 0.00 N ATOM 791 CA PRO A 72 -4.758 6.180 -8.159 1.00 0.00 C ATOM 792 C PRO A 72 -5.484 5.096 -8.958 1.00 0.00 C ATOM 793 O PRO A 72 -4.857 4.164 -9.458 1.00 0.00 O ATOM 794 CB PRO A 72 -4.111 7.235 -9.041 1.00 0.00 C ATOM 795 CG PRO A 72 -2.629 6.902 -9.071 1.00 0.00 C ATOM 796 CD PRO A 72 -2.353 5.903 -7.959 1.00 0.00 C ATOM 0 HA PRO A 72 -5.530 6.624 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.535 7.218 -10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.279 8.235 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.351 6.483 -10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.032 7.803 -8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.881 5.000 -8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.678 6.319 -7.211 1.00 0.00 H new ATOM 801 N GLN A 73 -6.796 5.255 -9.053 1.00 0.00 N ATOM 802 CA GLN A 73 -7.614 4.301 -9.782 1.00 0.00 C ATOM 803 C GLN A 73 -6.879 3.820 -11.035 1.00 0.00 C ATOM 804 O GLN A 73 -6.050 4.541 -11.588 1.00 0.00 O ATOM 805 CB GLN A 73 -8.973 4.906 -10.141 1.00 0.00 C ATOM 806 CG GLN A 73 -8.803 6.192 -10.953 1.00 0.00 C ATOM 807 CD GLN A 73 -8.635 7.402 -10.033 1.00 0.00 C ATOM 808 OE1 GLN A 73 -9.590 8.038 -9.619 1.00 0.00 O ATOM 809 NE2 GLN A 73 -7.369 7.685 -9.737 1.00 0.00 N ATOM 0 H GLN A 73 -7.313 6.030 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.795 3.440 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.557 4.185 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.533 5.118 -9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.934 6.103 -11.605 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.671 6.337 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.616 7.112 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.152 8.475 -9.130 1.00 0.00 H new ATOM 816 N SER A 74 -7.212 2.606 -11.447 1.00 0.00 N ATOM 817 CA SER A 74 -6.594 2.020 -12.625 1.00 0.00 C ATOM 818 C SER A 74 -7.560 1.037 -13.289 1.00 0.00 C ATOM 819 O SER A 74 -8.730 0.964 -12.917 1.00 0.00 O ATOM 820 CB SER A 74 -5.283 1.316 -12.267 1.00 0.00 C ATOM 821 OG SER A 74 -4.435 2.139 -11.472 1.00 0.00 O ATOM 0 H SER A 74 -7.902 2.012 -10.987 1.00 0.00 H new ATOM 0 HA SER A 74 -6.364 2.823 -13.326 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.502 0.394 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.761 1.035 -13.182 1.00 0.00 H new ATOM 0 HG SER A 74 -3.610 1.653 -11.263 1.00 0.00 H new ATOM 826 N ALA A 75 -7.034 0.306 -14.261 1.00 0.00 N ATOM 827 CA ALA A 75 -7.836 -0.669 -14.980 1.00 0.00 C ATOM 828 C ALA A 75 -7.642 -2.048 -14.347 1.00 0.00 C ATOM 829 O ALA A 75 -6.624 -2.303 -13.706 1.00 0.00 O ATOM 830 CB ALA A 75 -7.456 -0.648 -16.462 1.00 0.00 C ATOM 0 H ALA A 75 -6.063 0.369 -14.567 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.895 -0.421 -14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.057 -1.379 -17.002 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.640 0.346 -16.871 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.400 -0.895 -16.570 1.00 0.00 H new ATOM 836 N PRO A 76 -8.660 -2.925 -14.557 1.00 0.00 N ATOM 837 CA PRO A 76 -8.611 -4.273 -14.015 1.00 0.00 C ATOM 838 C PRO A 76 -7.645 -5.151 -14.813 1.00 0.00 C ATOM 839 O PRO A 76 -7.403 -4.900 -15.993 1.00 0.00 O ATOM 840 CB PRO A 76 -10.047 -4.770 -14.067 1.00 0.00 C ATOM 841 CG PRO A 76 -10.765 -3.868 -15.058 1.00 0.00 C ATOM 842 CD PRO A 76 -9.880 -2.659 -15.313 1.00 0.00 C ATOM 0 HA PRO A 76 -8.230 -4.302 -12.994 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.088 -5.811 -14.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.514 -4.719 -13.083 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.960 -4.402 -15.988 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.731 -3.557 -14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.669 -2.540 -16.376 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.360 -1.739 -14.979 1.00 0.00 H new ATOM 847 N GLY A 77 -7.119 -6.162 -14.138 1.00 0.00 N ATOM 848 CA GLY A 77 -6.185 -7.079 -14.770 1.00 0.00 C ATOM 849 C GLY A 77 -4.980 -6.327 -15.338 1.00 0.00 C ATOM 850 O GLY A 77 -4.624 -6.508 -16.501 1.00 0.00 O ATOM 0 H GLY A 77 -7.322 -6.367 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.848 -7.818 -14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.688 -7.623 -15.569 1.00 0.00 H new ATOM 854 N ALA A 78 -4.385 -5.500 -14.492 1.00 0.00 N ATOM 855 CA ALA A 78 -3.227 -4.720 -14.895 1.00 0.00 C ATOM 856 C ALA A 78 -2.048 -5.056 -13.980 1.00 0.00 C ATOM 857 O ALA A 78 -2.073 -6.064 -13.275 1.00 0.00 O ATOM 858 CB ALA A 78 -3.580 -3.232 -14.869 1.00 0.00 C ATOM 0 H ALA A 78 -4.683 -5.353 -13.528 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.933 -4.967 -15.915 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.712 -2.647 -15.171 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.403 -3.041 -15.557 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.877 -2.946 -13.860 1.00 0.00 H new ATOM 864 N LEU A 79 -1.043 -4.193 -14.022 1.00 0.00 N ATOM 865 CA LEU A 79 0.143 -4.385 -13.205 1.00 0.00 C ATOM 866 C LEU A 79 0.604 -3.034 -12.658 1.00 0.00 C ATOM 867 O LEU A 79 1.248 -2.260 -13.364 1.00 0.00 O ATOM 868 CB LEU A 79 1.222 -5.130 -13.996 1.00 0.00 C ATOM 869 CG LEU A 79 1.429 -6.600 -13.627 1.00 0.00 C ATOM 870 CD1 LEU A 79 1.921 -6.739 -12.184 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.158 -7.413 -13.880 1.00 0.00 C ATOM 0 H LEU A 79 -1.026 -3.359 -14.609 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.083 -5.016 -12.346 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.972 -5.074 -15.055 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.169 -4.606 -13.864 1.00 0.00 H new ATOM 0 HG LEU A 79 2.206 -7.008 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.060 -7.794 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.869 -6.213 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.184 -6.309 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.332 -8.454 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.656 -7.013 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.109 -7.352 -14.935 1.00 0.00 H new ATOM 882 N VAL A 80 0.257 -2.791 -11.402 1.00 0.00 N ATOM 883 CA VAL A 80 0.627 -1.546 -10.751 1.00 0.00 C ATOM 884 C VAL A 80 1.833 -1.790 -9.841 1.00 0.00 C ATOM 885 O VAL A 80 1.796 -1.466 -8.655 1.00 0.00 O ATOM 886 CB VAL A 80 -0.577 -0.967 -10.005 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.214 0.351 -9.319 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.768 -0.786 -10.946 1.00 0.00 C ATOM 0 H VAL A 80 -0.276 -3.435 -10.818 1.00 0.00 H new ATOM 0 HA VAL A 80 0.923 -0.802 -11.491 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.867 -1.678 -9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.087 0.741 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.591 0.179 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.113 1.073 -10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.611 -0.373 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.495 -0.104 -11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.049 -1.751 -11.367 1.00 0.00 H new ATOM 898 N GLU A 81 2.873 -2.361 -10.430 1.00 0.00 N ATOM 899 CA GLU A 81 4.087 -2.653 -9.688 1.00 0.00 C ATOM 900 C GLU A 81 5.133 -1.562 -9.928 1.00 0.00 C ATOM 901 O GLU A 81 5.400 -1.195 -11.071 1.00 0.00 O ATOM 902 CB GLU A 81 4.639 -4.031 -10.059 1.00 0.00 C ATOM 903 CG GLU A 81 4.833 -4.154 -11.572 1.00 0.00 C ATOM 904 CD GLU A 81 6.120 -4.915 -11.900 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.173 -4.502 -11.370 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.021 -5.891 -12.675 1.00 0.00 O ATOM 0 H GLU A 81 2.900 -2.629 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 81 3.844 -2.669 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.590 -4.194 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.956 -4.806 -9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.979 -4.670 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.869 -3.161 -12.019 1.00 0.00 H new ATOM 911 N ARG A 82 5.693 -1.072 -8.832 1.00 0.00 N ATOM 912 CA ARG A 82 6.702 -0.030 -8.909 1.00 0.00 C ATOM 913 C ARG A 82 8.096 -0.624 -8.695 1.00 0.00 C ATOM 914 O ARG A 82 8.388 -1.163 -7.628 1.00 0.00 O ATOM 915 CB ARG A 82 6.451 1.057 -7.862 1.00 0.00 C ATOM 916 CG ARG A 82 5.060 1.671 -8.030 1.00 0.00 C ATOM 917 CD ARG A 82 5.007 2.580 -9.260 1.00 0.00 C ATOM 918 NE ARG A 82 3.792 2.289 -10.052 1.00 0.00 N ATOM 919 CZ ARG A 82 3.461 2.927 -11.184 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.255 3.895 -11.663 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.339 2.596 -11.836 1.00 0.00 N ATOM 0 H ARG A 82 5.467 -1.378 -7.885 1.00 0.00 H new ATOM 0 HA ARG A 82 6.643 0.417 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.547 0.633 -6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.209 1.835 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.318 0.878 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.801 2.243 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.008 3.625 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.896 2.429 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 82 3.166 1.557 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.110 4.146 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.004 4.381 -12.524 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.736 1.858 -11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.087 3.081 -12.697 1.00 0.00 H new ATOM 1166 N ALA A 99 7.911 -1.734 -5.266 1.00 0.00 N ATOM 1167 CA ALA A 99 6.669 -2.359 -4.846 1.00 0.00 C ATOM 1168 C ALA A 99 6.082 -3.156 -6.013 1.00 0.00 C ATOM 1169 O ALA A 99 6.532 -3.020 -7.150 1.00 0.00 O ATOM 1170 CB ALA A 99 5.706 -1.287 -4.331 1.00 0.00 C ATOM 0 HA ALA A 99 6.849 -3.057 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.774 -1.756 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.157 -0.770 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.501 -0.570 -5.126 1.00 0.00 H new ATOM 1176 N TYR A 100 5.088 -3.969 -5.692 1.00 0.00 N ATOM 1177 CA TYR A 100 4.435 -4.789 -6.700 1.00 0.00 C ATOM 1178 C TYR A 100 2.963 -5.015 -6.353 1.00 0.00 C ATOM 1179 O TYR A 100 2.646 -5.786 -5.449 1.00 0.00 O ATOM 1180 CB TYR A 100 5.164 -6.134 -6.686 1.00 0.00 C ATOM 1181 CG TYR A 100 6.502 -6.124 -7.427 1.00 0.00 C ATOM 1182 CD1 TYR A 100 7.634 -5.642 -6.802 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.579 -6.600 -8.721 1.00 0.00 C ATOM 1184 CE1 TYR A 100 8.894 -5.633 -7.498 1.00 0.00 C ATOM 1185 CE2 TYR A 100 7.839 -6.591 -9.417 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.934 -6.107 -8.771 1.00 0.00 C ATOM 1187 OH TYR A 100 10.124 -6.100 -9.430 1.00 0.00 O ATOM 0 H TYR A 100 4.718 -4.079 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 100 4.474 -4.303 -7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.335 -6.432 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.519 -6.890 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.575 -5.271 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.694 -6.979 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.787 -5.258 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.913 -6.960 -10.429 1.00 0.00 H new ATOM 0 HH TYR A 100 10.002 -6.469 -10.330 1.00 0.00 H new ATOM 1196 N ARG A 101 2.101 -4.330 -7.091 1.00 0.00 N ATOM 1197 CA ARG A 101 0.670 -4.448 -6.872 1.00 0.00 C ATOM 1198 C ARG A 101 -0.060 -4.593 -8.209 1.00 0.00 C ATOM 1199 O ARG A 101 0.118 -3.776 -9.111 1.00 0.00 O ATOM 1200 CB ARG A 101 0.124 -3.226 -6.131 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.230 -3.574 -4.684 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.223 -2.566 -4.103 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.331 -3.277 -3.428 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.096 -2.738 -2.469 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.879 -1.478 -2.068 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -4.079 -3.458 -1.913 1.00 0.00 N ATOM 0 H ARG A 101 2.367 -3.692 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 101 0.499 -5.335 -6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.865 -2.427 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.761 -2.850 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.657 -4.576 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.676 -3.588 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.716 -1.911 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.617 -1.932 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.525 -4.238 -3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.131 -0.929 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.461 -1.068 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.245 -4.417 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.661 -3.048 -1.183 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.869 -5.640 -8.295 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.627 -5.903 -9.505 1.00 0.00 C ATOM 1219 C GLU A 102 -3.123 -5.708 -9.248 1.00 0.00 C ATOM 1220 O GLU A 102 -3.575 -5.790 -8.108 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.341 -7.309 -10.036 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.548 -8.361 -8.944 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.222 -9.019 -8.560 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.574 -9.278 -9.489 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.034 -9.250 -7.346 1.00 0.00 O ATOM 0 H GLU A 102 -1.015 -6.316 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.314 -5.191 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.996 -7.523 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.317 -7.360 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.995 -7.896 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.247 -9.120 -9.293 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.847 -5.455 -10.327 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.283 -5.247 -10.233 1.00 0.00 C ATOM 1232 C CYS A 103 -5.984 -6.452 -10.863 1.00 0.00 C ATOM 1233 O CYS A 103 -5.712 -6.803 -12.010 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.709 -3.931 -10.888 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.471 -2.718 -9.748 1.00 0.00 S ATOM 0 H CYS A 103 -3.467 -5.389 -11.271 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.574 -5.165 -9.186 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.836 -3.473 -11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.416 -4.152 -11.687 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.876 -7.050 -10.087 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.619 -8.207 -10.555 1.00 0.00 C ATOM 1241 C LEU A 104 -8.504 -7.798 -11.734 1.00 0.00 C ATOM 1242 O LEU A 104 -8.756 -6.612 -11.943 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.390 -8.851 -9.402 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.715 -10.048 -8.729 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.042 -10.093 -7.235 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -8.085 -11.355 -9.435 1.00 0.00 C ATOM 0 H LEU A 104 -7.101 -6.755 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.937 -8.975 -10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.574 -8.090 -8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.363 -9.171 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.636 -9.927 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.550 -10.953 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.689 -9.179 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.120 -10.179 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.592 -12.190 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.165 -11.496 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.762 -11.311 -10.475 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.951 -8.801 -12.474 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.803 -8.560 -13.626 1.00 0.00 C ATOM 1259 C GLU A 105 -11.236 -8.271 -13.176 1.00 0.00 C ATOM 1260 O GLU A 105 -12.122 -8.065 -14.004 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.761 -9.742 -14.596 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.474 -9.271 -16.024 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.636 -10.418 -17.023 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.560 -11.232 -16.808 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -8.830 -10.456 -17.977 1.00 0.00 O ATOM 0 H GLU A 105 -8.739 -9.783 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.426 -7.685 -14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.993 -10.448 -14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.712 -10.273 -14.569 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.151 -8.458 -16.286 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.461 -8.873 -16.083 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.420 -8.264 -11.864 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.731 -8.003 -11.293 1.00 0.00 C ATOM 1272 C ASN A 106 -12.809 -6.540 -10.855 1.00 0.00 C ATOM 1273 O ASN A 106 -13.837 -6.094 -10.347 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.980 -8.878 -10.063 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.429 -9.368 -10.022 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.335 -8.671 -9.594 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.597 -10.601 -10.491 1.00 0.00 N ATOM 0 H ASN A 106 -10.683 -8.435 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.480 -8.226 -12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.304 -9.733 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.758 -8.312 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.528 -11.018 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.795 -11.130 -10.834 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.711 -5.830 -11.070 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.643 -4.426 -10.704 1.00 0.00 C ATOM 1285 C GLY A 107 -11.362 -4.262 -9.209 1.00 0.00 C ATOM 1286 O GLY A 107 -11.935 -3.389 -8.559 1.00 0.00 O ATOM 0 H GLY A 107 -10.861 -6.202 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.860 -3.934 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.582 -3.935 -10.957 1.00 0.00 H new ATOM 1290 N THR A 108 -10.482 -5.115 -8.708 1.00 0.00 N ATOM 1291 CA THR A 108 -10.119 -5.076 -7.301 1.00 0.00 C ATOM 1292 C THR A 108 -8.599 -5.011 -7.145 1.00 0.00 C ATOM 1293 O THR A 108 -7.861 -5.295 -8.087 1.00 0.00 O ATOM 1294 CB THR A 108 -10.749 -6.289 -6.616 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.341 -7.393 -7.420 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.275 -6.296 -6.723 1.00 0.00 C ATOM 0 H THR A 108 -10.009 -5.838 -9.251 1.00 0.00 H new ATOM 0 HA THR A 108 -10.503 -4.177 -6.818 1.00 0.00 H new ATOM 0 HB THR A 108 -10.458 -6.303 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.705 -8.222 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.671 -7.178 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.677 -5.399 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.566 -6.316 -7.773 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.175 -4.634 -5.947 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.755 -4.528 -5.656 1.00 0.00 C ATOM 1306 C TRP A 109 -6.287 -5.870 -5.088 1.00 0.00 C ATOM 1307 O TRP A 109 -7.042 -6.842 -5.081 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.475 -3.352 -4.717 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.322 -2.008 -5.432 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.084 -0.914 -5.303 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.309 -1.660 -6.398 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.638 0.111 -6.112 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.524 -0.356 -6.800 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.244 -2.419 -6.916 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.717 0.301 -7.736 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.447 -1.748 -7.851 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.651 -0.437 -8.265 1.00 0.00 C ATOM 0 H TRP A 109 -8.789 -4.398 -5.168 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.190 -4.318 -6.564 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.287 -3.277 -3.993 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.565 -3.558 -4.154 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.940 -0.843 -4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.050 1.041 -6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.056 -3.439 -6.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.906 1.322 -8.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.615 -2.287 -8.281 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.990 0.011 -8.992 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.045 -5.881 -4.627 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.469 -7.087 -4.059 1.00 0.00 C ATOM 1329 C ALA A 110 -4.587 -7.036 -2.535 1.00 0.00 C ATOM 1330 O ALA A 110 -5.193 -6.117 -1.986 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.018 -7.229 -4.527 1.00 0.00 C ATOM 0 H ALA A 110 -4.422 -5.074 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.011 -7.969 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.585 -8.134 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.991 -7.291 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.443 -6.363 -4.199 1.00 0.00 H new ATOM 1337 N SER A 111 -4.000 -8.035 -1.893 1.00 0.00 N ATOM 1338 CA SER A 111 -4.033 -8.116 -0.443 1.00 0.00 C ATOM 1339 C SER A 111 -3.166 -7.009 0.162 1.00 0.00 C ATOM 1340 O SER A 111 -3.561 -6.370 1.136 1.00 0.00 O ATOM 1341 CB SER A 111 -3.558 -9.487 0.044 1.00 0.00 C ATOM 1342 OG SER A 111 -4.648 -10.345 0.367 1.00 0.00 O ATOM 0 H SER A 111 -3.498 -8.796 -2.351 1.00 0.00 H new ATOM 0 HA SER A 111 -5.064 -7.982 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.945 -9.954 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.924 -9.360 0.921 1.00 0.00 H new ATOM 0 HG SER A 111 -4.304 -11.210 0.672 1.00 0.00 H new ATOM 1347 N ARG A 112 -2.002 -6.816 -0.440 1.00 0.00 N ATOM 1348 CA ARG A 112 -1.078 -5.798 0.027 1.00 0.00 C ATOM 1349 C ARG A 112 0.227 -5.860 -0.770 1.00 0.00 C ATOM 1350 O ARG A 112 0.842 -6.920 -0.880 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.767 -5.976 1.515 1.00 0.00 C ATOM 1352 CG ARG A 112 -1.471 -4.908 2.353 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.864 -5.459 3.726 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.692 -5.447 4.631 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.602 -6.174 5.753 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.612 -6.975 6.114 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.499 -6.099 6.512 1.00 0.00 N ATOM 0 H ARG A 112 -1.678 -7.348 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.552 -4.828 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.084 -6.967 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.310 -5.918 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.814 -4.047 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.361 -4.558 1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.668 -4.859 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.245 -6.475 3.624 1.00 0.00 H new ATOM 0 HE ARG A 112 0.096 -4.848 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.450 -7.032 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.544 -7.529 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.268 -5.489 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.568 -6.652 7.366 1.00 0.00 H new ATOM 1368 N VAL A 113 0.611 -4.710 -1.305 1.00 0.00 N ATOM 1369 CA VAL A 113 1.831 -4.621 -2.089 1.00 0.00 C ATOM 1370 C VAL A 113 2.924 -5.459 -1.422 1.00 0.00 C ATOM 1371 O VAL A 113 2.846 -5.750 -0.230 1.00 0.00 O ATOM 1372 CB VAL A 113 2.231 -3.154 -2.270 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.981 -2.636 -1.042 1.00 0.00 C ATOM 1374 CG2 VAL A 113 3.060 -2.965 -3.541 1.00 0.00 C ATOM 0 H VAL A 113 0.099 -3.833 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 113 1.673 -5.028 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 113 1.318 -2.568 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.254 -1.592 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.341 -2.718 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.883 -3.228 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.331 -1.914 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.965 -3.569 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.475 -3.277 -4.406 1.00 0.00 H new