USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 58 THR OG1 : rot 35:sc= 0.581 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.417 USER MOD Single : A 61 ASN : amide:sc= -1.96 K(o=-2,f=-2.9) USER MOD Single : A 62 THR OG1 : rot 52:sc= 1.21 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00121 X(o=-0.0012,f=-0.17) USER MOD Single : A 69 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.157 F(o=-0.77,f=-0.16) USER MOD Single : A 74 SER OG : rot -91:sc= -0.393! USER MOD Single : A 100 TYR OH : rot -24:sc= 0.45 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -16.266 -1.454 -14.093 1.00 0.00 N ATOM 592 CA THR A 58 -15.621 -2.187 -13.017 1.00 0.00 C ATOM 593 C THR A 58 -14.124 -1.872 -12.980 1.00 0.00 C ATOM 594 O THR A 58 -13.293 -2.759 -13.174 1.00 0.00 O ATOM 595 CB THR A 58 -15.924 -3.674 -13.210 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.333 -3.717 -13.413 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.706 -4.487 -11.932 1.00 0.00 C ATOM 0 HA THR A 58 -16.009 -1.885 -12.044 1.00 0.00 H new ATOM 0 HB THR A 58 -15.294 -4.073 -14.005 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.616 -2.921 -13.909 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.935 -5.535 -12.124 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.667 -4.395 -11.615 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.360 -4.111 -11.145 1.00 0.00 H new ATOM 605 N TYR A 59 -13.824 -0.606 -12.730 1.00 0.00 N ATOM 606 CA TYR A 59 -12.442 -0.162 -12.665 1.00 0.00 C ATOM 607 C TYR A 59 -11.953 -0.101 -11.216 1.00 0.00 C ATOM 608 O TYR A 59 -12.754 -0.163 -10.285 1.00 0.00 O ATOM 609 CB TYR A 59 -12.423 1.248 -13.258 1.00 0.00 C ATOM 610 CG TYR A 59 -11.118 1.605 -13.973 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.840 1.063 -15.211 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.221 2.469 -13.379 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.611 1.399 -15.884 1.00 0.00 C ATOM 614 CE2 TYR A 59 -8.992 2.806 -14.052 1.00 0.00 C ATOM 615 CZ TYR A 59 -8.749 2.254 -15.271 1.00 0.00 C ATOM 616 OH TYR A 59 -7.589 2.571 -15.907 1.00 0.00 O ATOM 0 H TYR A 59 -14.515 0.127 -12.570 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.792 -0.851 -13.205 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.250 1.346 -13.962 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.597 1.969 -12.459 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.543 0.387 -15.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.440 2.893 -12.410 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.380 0.982 -16.853 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.281 3.481 -13.599 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.071 3.192 -15.353 1.00 0.00 H new ATOM 625 N CYS A 60 -10.642 0.023 -11.072 1.00 0.00 N ATOM 626 CA CYS A 60 -10.038 0.094 -9.753 1.00 0.00 C ATOM 627 C CYS A 60 -10.259 1.503 -9.198 1.00 0.00 C ATOM 628 O CYS A 60 -10.544 2.432 -9.952 1.00 0.00 O ATOM 629 CB CYS A 60 -8.554 -0.278 -9.790 1.00 0.00 C ATOM 630 SG CYS A 60 -8.184 -1.880 -10.593 1.00 0.00 S ATOM 0 H CYS A 60 -9.981 0.076 -11.847 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.512 -0.633 -9.094 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.010 0.509 -10.313 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.175 -0.304 -8.768 1.00 0.00 H new ATOM 634 N ASN A 61 -10.118 1.616 -7.886 1.00 0.00 N ATOM 635 CA ASN A 61 -10.299 2.897 -7.222 1.00 0.00 C ATOM 636 C ASN A 61 -8.987 3.310 -6.554 1.00 0.00 C ATOM 637 O ASN A 61 -8.065 2.502 -6.435 1.00 0.00 O ATOM 638 CB ASN A 61 -11.375 2.807 -6.138 1.00 0.00 C ATOM 639 CG ASN A 61 -11.726 4.196 -5.599 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.200 4.653 -4.598 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.644 4.837 -6.316 1.00 0.00 N ATOM 0 H ASN A 61 -9.881 0.843 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.603 3.627 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.269 2.334 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.023 2.175 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.948 5.770 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.044 4.396 -7.144 1.00 0.00 H new ATOM 647 N THR A 62 -8.943 4.565 -6.135 1.00 0.00 N ATOM 648 CA THR A 62 -7.758 5.096 -5.482 1.00 0.00 C ATOM 649 C THR A 62 -7.883 4.965 -3.962 1.00 0.00 C ATOM 650 O THR A 62 -8.929 5.275 -3.393 1.00 0.00 O ATOM 651 CB THR A 62 -7.562 6.538 -5.954 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.359 6.953 -5.314 1.00 0.00 O ATOM 653 CG2 THR A 62 -8.627 7.485 -5.396 1.00 0.00 C ATOM 0 H THR A 62 -9.709 5.231 -6.235 1.00 0.00 H new ATOM 0 HA THR A 62 -6.869 4.527 -5.754 1.00 0.00 H new ATOM 0 HB THR A 62 -7.582 6.569 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.653 6.296 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.443 8.495 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.614 7.156 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.584 7.479 -4.307 1.00 0.00 H new ATOM 661 N THR A 63 -6.803 4.505 -3.349 1.00 0.00 N ATOM 662 CA THR A 63 -6.778 4.329 -1.906 1.00 0.00 C ATOM 663 C THR A 63 -5.343 4.407 -1.383 1.00 0.00 C ATOM 664 O THR A 63 -4.392 4.396 -2.165 1.00 0.00 O ATOM 665 CB THR A 63 -7.474 3.007 -1.580 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.079 3.237 -0.310 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.481 1.872 -1.318 1.00 0.00 C ATOM 0 H THR A 63 -5.938 4.248 -3.825 1.00 0.00 H new ATOM 0 HA THR A 63 -7.317 5.130 -1.400 1.00 0.00 H new ATOM 0 HB THR A 63 -8.133 2.731 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.554 2.429 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.027 0.956 -1.091 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.864 1.717 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.844 2.133 -0.473 1.00 0.00 H new ATOM 675 N LEU A 64 -5.230 4.483 -0.066 1.00 0.00 N ATOM 676 CA LEU A 64 -3.926 4.562 0.570 1.00 0.00 C ATOM 677 C LEU A 64 -4.008 3.946 1.969 1.00 0.00 C ATOM 678 O LEU A 64 -5.092 3.836 2.540 1.00 0.00 O ATOM 679 CB LEU A 64 -3.412 6.003 0.561 1.00 0.00 C ATOM 680 CG LEU A 64 -3.246 6.665 1.931 1.00 0.00 C ATOM 681 CD1 LEU A 64 -1.912 6.276 2.570 1.00 0.00 C ATOM 682 CD2 LEU A 64 -3.413 8.182 1.830 1.00 0.00 C ATOM 0 H LEU A 64 -6.020 4.492 0.579 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.192 3.983 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.448 6.021 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.097 6.608 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.036 6.297 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.819 6.760 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.871 5.194 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.093 6.596 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.290 8.628 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.661 8.587 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.407 8.414 1.448 1.00 0.00 H new ATOM 693 N ASP A 65 -2.848 3.563 2.481 1.00 0.00 N ATOM 694 CA ASP A 65 -2.774 2.964 3.802 1.00 0.00 C ATOM 695 C ASP A 65 -1.307 2.771 4.190 1.00 0.00 C ATOM 696 O ASP A 65 -0.417 3.350 3.568 1.00 0.00 O ATOM 697 CB ASP A 65 -3.451 1.591 3.821 1.00 0.00 C ATOM 698 CG ASP A 65 -4.407 1.358 4.993 1.00 0.00 C ATOM 699 OD1 ASP A 65 -5.032 2.352 5.421 1.00 0.00 O ATOM 700 OD2 ASP A 65 -4.491 0.192 5.434 1.00 0.00 O ATOM 0 H ASP A 65 -1.951 3.656 2.004 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.281 3.628 4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.003 1.462 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.679 0.822 3.843 1.00 0.00 H new ATOM 704 N GLN A 66 -1.100 1.958 5.215 1.00 0.00 N ATOM 705 CA GLN A 66 0.244 1.684 5.693 1.00 0.00 C ATOM 706 C GLN A 66 1.216 1.588 4.516 1.00 0.00 C ATOM 707 O GLN A 66 2.278 2.209 4.531 1.00 0.00 O ATOM 708 CB GLN A 66 0.276 0.407 6.537 1.00 0.00 C ATOM 709 CG GLN A 66 0.907 0.670 7.905 1.00 0.00 C ATOM 710 CD GLN A 66 -0.133 1.192 8.897 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.548 2.339 8.857 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.531 0.289 9.790 1.00 0.00 N ATOM 0 H GLN A 66 -1.841 1.480 5.728 1.00 0.00 H new ATOM 0 HA GLN A 66 0.558 2.510 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.737 0.027 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.841 -0.365 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.350 -0.249 8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.714 1.395 7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.144 -0.654 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.223 0.540 10.496 1.00 0.00 H new ATOM 719 N ILE A 67 0.820 0.805 3.524 1.00 0.00 N ATOM 720 CA ILE A 67 1.643 0.620 2.341 1.00 0.00 C ATOM 721 C ILE A 67 0.777 0.787 1.091 1.00 0.00 C ATOM 722 O ILE A 67 0.983 0.100 0.092 1.00 0.00 O ATOM 723 CB ILE A 67 2.378 -0.721 2.404 1.00 0.00 C ATOM 724 CG1 ILE A 67 1.450 -1.874 2.017 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.013 -0.934 3.780 1.00 0.00 C ATOM 726 CD1 ILE A 67 0.195 -1.886 2.892 1.00 0.00 C ATOM 0 H ILE A 67 -0.061 0.291 3.515 1.00 0.00 H new ATOM 0 HA ILE A 67 2.421 1.383 2.295 1.00 0.00 H new ATOM 0 HB ILE A 67 3.188 -0.701 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.166 -1.781 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.979 -2.821 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.529 -1.894 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.727 -0.135 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.236 -0.925 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.447 -2.715 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.481 -2.004 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.344 -0.947 2.767 1.00 0.00 H new ATOM 737 N GLY A 68 -0.173 1.707 1.187 1.00 0.00 N ATOM 738 CA GLY A 68 -1.071 1.973 0.077 1.00 0.00 C ATOM 739 C GLY A 68 -0.389 2.841 -0.983 1.00 0.00 C ATOM 740 O GLY A 68 -0.852 2.916 -2.120 1.00 0.00 O ATOM 0 H GLY A 68 -0.339 2.277 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.392 1.032 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.967 2.475 0.442 1.00 0.00 H new ATOM 744 N THR A 69 0.699 3.475 -0.572 1.00 0.00 N ATOM 745 CA THR A 69 1.450 4.334 -1.471 1.00 0.00 C ATOM 746 C THR A 69 0.497 5.132 -2.365 1.00 0.00 C ATOM 747 O THR A 69 0.848 5.491 -3.488 1.00 0.00 O ATOM 748 CB THR A 69 2.428 3.458 -2.257 1.00 0.00 C ATOM 749 OG1 THR A 69 3.019 4.353 -3.195 1.00 0.00 O ATOM 750 CG2 THR A 69 1.717 2.421 -3.127 1.00 0.00 C ATOM 0 H THR A 69 1.079 3.411 0.373 1.00 0.00 H new ATOM 0 HA THR A 69 2.027 5.075 -0.919 1.00 0.00 H new ATOM 0 HB THR A 69 3.098 2.950 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.318 4.758 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.457 1.827 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.115 1.768 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.071 2.929 -3.844 1.00 0.00 H new ATOM 758 N CYS A 70 -0.689 5.386 -1.833 1.00 0.00 N ATOM 759 CA CYS A 70 -1.694 6.134 -2.568 1.00 0.00 C ATOM 760 C CYS A 70 -1.756 5.583 -3.994 1.00 0.00 C ATOM 761 O CYS A 70 -1.139 6.135 -4.903 1.00 0.00 O ATOM 762 CB CYS A 70 -1.407 7.637 -2.548 1.00 0.00 C ATOM 763 SG CYS A 70 -2.855 8.699 -2.905 1.00 0.00 S ATOM 0 H CYS A 70 -0.977 5.087 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.666 6.010 -2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.011 7.904 -1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.626 7.854 -3.277 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.499 9.948 -2.860 1.00 0.00 H new ATOM 767 N TRP A 71 -2.507 4.502 -4.145 1.00 0.00 N ATOM 768 CA TRP A 71 -2.657 3.871 -5.445 1.00 0.00 C ATOM 769 C TRP A 71 -3.674 4.683 -6.249 1.00 0.00 C ATOM 770 O TRP A 71 -4.849 4.745 -5.890 1.00 0.00 O ATOM 771 CB TRP A 71 -3.049 2.399 -5.297 1.00 0.00 C ATOM 772 CG TRP A 71 -2.053 1.568 -4.486 1.00 0.00 C ATOM 773 CD1 TRP A 71 -2.194 1.097 -3.240 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.749 1.127 -4.918 1.00 0.00 C ATOM 775 NE1 TRP A 71 -1.081 0.386 -2.838 1.00 0.00 N ATOM 776 CE2 TRP A 71 -0.174 0.406 -3.892 1.00 0.00 C ATOM 777 CE3 TRP A 71 -0.076 1.330 -6.136 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.099 -0.171 -3.978 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.195 0.748 -6.208 1.00 0.00 C ATOM 780 CH2 TRP A 71 1.788 0.019 -5.183 1.00 0.00 C ATOM 0 H TRP A 71 -3.018 4.047 -3.389 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.710 3.867 -5.985 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.028 2.340 -4.821 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.150 1.959 -6.289 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.069 1.254 -2.627 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.948 -0.070 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.506 1.891 -6.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.526 -0.732 -3.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.754 0.874 -7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.775 -0.399 -5.315 1.00 0.00 H new ATOM 790 N PRO A 72 -3.173 5.300 -7.352 1.00 0.00 N ATOM 791 CA PRO A 72 -4.023 6.105 -8.212 1.00 0.00 C ATOM 792 C PRO A 72 -4.927 5.220 -9.074 1.00 0.00 C ATOM 793 O PRO A 72 -4.803 5.208 -10.298 1.00 0.00 O ATOM 794 CB PRO A 72 -3.066 6.954 -9.032 1.00 0.00 C ATOM 795 CG PRO A 72 -1.714 6.266 -8.937 1.00 0.00 C ATOM 796 CD PRO A 72 -1.787 5.248 -7.810 1.00 0.00 C ATOM 0 HA PRO A 72 -4.711 6.737 -7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.396 7.025 -10.068 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.015 7.971 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.468 5.776 -9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.927 6.995 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.523 4.250 -8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.095 5.497 -7.006 1.00 0.00 H new ATOM 801 N GLN A 73 -5.814 4.502 -8.402 1.00 0.00 N ATOM 802 CA GLN A 73 -6.736 3.616 -9.092 1.00 0.00 C ATOM 803 C GLN A 73 -6.020 2.887 -10.231 1.00 0.00 C ATOM 804 O GLN A 73 -4.793 2.886 -10.298 1.00 0.00 O ATOM 805 CB GLN A 73 -7.951 4.387 -9.611 1.00 0.00 C ATOM 806 CG GLN A 73 -7.680 4.964 -11.003 1.00 0.00 C ATOM 807 CD GLN A 73 -8.014 6.457 -11.052 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.506 7.158 -10.043 1.00 0.00 O flip ATOM 809 NE2 GLN A 73 -8.689 6.939 -11.946 1.00 0.00 N flip ATOM 0 H GLN A 73 -5.914 4.515 -7.387 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.096 2.872 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.817 3.726 -9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.197 5.194 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.633 4.813 -11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.275 4.430 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.048 6.343 -12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.894 7.938 -11.948 1.00 0.00 H new ATOM 816 N SER A 74 -6.819 2.284 -11.099 1.00 0.00 N ATOM 817 CA SER A 74 -6.278 1.553 -12.232 1.00 0.00 C ATOM 818 C SER A 74 -7.379 0.721 -12.892 1.00 0.00 C ATOM 819 O SER A 74 -8.526 0.737 -12.448 1.00 0.00 O ATOM 820 CB SER A 74 -5.118 0.652 -11.802 1.00 0.00 C ATOM 821 OG SER A 74 -5.087 0.457 -10.392 1.00 0.00 O ATOM 0 H SER A 74 -7.837 2.287 -11.040 1.00 0.00 H new ATOM 0 HA SER A 74 -5.895 2.275 -12.954 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.206 -0.314 -12.299 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.176 1.094 -12.127 1.00 0.00 H new ATOM 0 HG SER A 74 -4.523 1.144 -9.979 1.00 0.00 H new ATOM 826 N ALA A 75 -6.991 0.012 -13.943 1.00 0.00 N ATOM 827 CA ALA A 75 -7.931 -0.825 -14.669 1.00 0.00 C ATOM 828 C ALA A 75 -7.777 -2.276 -14.208 1.00 0.00 C ATOM 829 O ALA A 75 -6.763 -2.637 -13.614 1.00 0.00 O ATOM 830 CB ALA A 75 -7.703 -0.663 -16.174 1.00 0.00 C ATOM 0 H ALA A 75 -6.039 0.000 -14.309 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.957 -0.520 -14.461 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.408 -1.291 -16.718 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.854 0.379 -16.455 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.685 -0.962 -16.422 1.00 0.00 H new ATOM 836 N PRO A 76 -8.824 -3.089 -14.509 1.00 0.00 N ATOM 837 CA PRO A 76 -8.815 -4.493 -14.134 1.00 0.00 C ATOM 838 C PRO A 76 -7.883 -5.298 -15.042 1.00 0.00 C ATOM 839 O PRO A 76 -7.762 -5.001 -16.230 1.00 0.00 O ATOM 840 CB PRO A 76 -10.266 -4.935 -14.227 1.00 0.00 C ATOM 841 CG PRO A 76 -10.962 -3.899 -15.095 1.00 0.00 C ATOM 842 CD PRO A 76 -10.042 -2.695 -15.213 1.00 0.00 C ATOM 0 HA PRO A 76 -8.427 -4.657 -13.129 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.344 -5.929 -14.667 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.723 -4.987 -13.239 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.180 -4.311 -16.080 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.915 -3.609 -14.653 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.836 -2.454 -16.256 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.490 -1.809 -14.764 1.00 0.00 H new ATOM 847 N GLY A 77 -7.252 -6.299 -14.451 1.00 0.00 N ATOM 848 CA GLY A 77 -6.336 -7.149 -15.193 1.00 0.00 C ATOM 849 C GLY A 77 -5.094 -6.368 -15.628 1.00 0.00 C ATOM 850 O GLY A 77 -4.375 -6.793 -16.531 1.00 0.00 O ATOM 0 H GLY A 77 -7.356 -6.542 -13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.039 -7.996 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.840 -7.555 -16.070 1.00 0.00 H new ATOM 854 N ALA A 78 -4.881 -5.240 -14.968 1.00 0.00 N ATOM 855 CA ALA A 78 -3.740 -4.396 -15.276 1.00 0.00 C ATOM 856 C ALA A 78 -2.527 -4.873 -14.475 1.00 0.00 C ATOM 857 O ALA A 78 -2.460 -6.035 -14.077 1.00 0.00 O ATOM 858 CB ALA A 78 -4.092 -2.935 -14.985 1.00 0.00 C ATOM 0 H ALA A 78 -5.480 -4.890 -14.220 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.486 -4.466 -16.334 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.236 -2.301 -15.216 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.941 -2.636 -15.600 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.350 -2.826 -13.932 1.00 0.00 H new ATOM 864 N LEU A 79 -1.598 -3.952 -14.263 1.00 0.00 N ATOM 865 CA LEU A 79 -0.391 -4.266 -13.517 1.00 0.00 C ATOM 866 C LEU A 79 0.290 -2.964 -13.088 1.00 0.00 C ATOM 867 O LEU A 79 0.777 -2.208 -13.927 1.00 0.00 O ATOM 868 CB LEU A 79 0.514 -5.195 -14.328 1.00 0.00 C ATOM 869 CG LEU A 79 0.657 -6.623 -13.797 1.00 0.00 C ATOM 870 CD1 LEU A 79 -0.102 -7.614 -14.680 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.131 -7.004 -13.643 1.00 0.00 C ATOM 0 H LEU A 79 -1.657 -2.989 -14.594 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.637 -4.814 -12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.131 -5.244 -15.347 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.506 -4.747 -14.382 1.00 0.00 H new ATOM 0 HG LEU A 79 0.207 -6.666 -12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.016 -8.621 -14.281 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.160 -7.351 -14.696 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.296 -7.577 -15.694 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.206 -8.023 -13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.627 -6.940 -14.612 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.612 -6.321 -12.943 1.00 0.00 H new ATOM 882 N VAL A 80 0.301 -2.742 -11.782 1.00 0.00 N ATOM 883 CA VAL A 80 0.914 -1.544 -11.231 1.00 0.00 C ATOM 884 C VAL A 80 2.180 -1.932 -10.464 1.00 0.00 C ATOM 885 O VAL A 80 2.274 -1.702 -9.260 1.00 0.00 O ATOM 886 CB VAL A 80 -0.099 -0.787 -10.371 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.600 0.240 -9.479 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.168 -0.122 -11.240 1.00 0.00 C ATOM 0 H VAL A 80 -0.105 -3.371 -11.089 1.00 0.00 H new ATOM 0 HA VAL A 80 1.213 -0.865 -12.029 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.596 -1.510 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.142 0.765 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.305 -0.269 -8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.136 0.957 -10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.876 0.409 -10.603 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.695 0.583 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.697 -0.884 -11.813 1.00 0.00 H new ATOM 898 N GLU A 81 3.121 -2.514 -11.194 1.00 0.00 N ATOM 899 CA GLU A 81 4.377 -2.935 -10.597 1.00 0.00 C ATOM 900 C GLU A 81 5.478 -1.917 -10.903 1.00 0.00 C ATOM 901 O GLU A 81 5.516 -1.347 -11.992 1.00 0.00 O ATOM 902 CB GLU A 81 4.772 -4.332 -11.080 1.00 0.00 C ATOM 903 CG GLU A 81 3.997 -5.413 -10.324 1.00 0.00 C ATOM 904 CD GLU A 81 4.620 -6.793 -10.549 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.867 -6.864 -10.517 1.00 0.00 O ATOM 906 OE2 GLU A 81 3.834 -7.744 -10.748 1.00 0.00 O ATOM 0 H GLU A 81 3.039 -2.704 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 81 4.245 -2.984 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.577 -4.420 -12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.842 -4.481 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.990 -5.183 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.959 -5.420 -10.656 1.00 0.00 H new ATOM 911 N ARG A 82 6.345 -1.718 -9.921 1.00 0.00 N ATOM 912 CA ARG A 82 7.443 -0.780 -10.071 1.00 0.00 C ATOM 913 C ARG A 82 8.506 -1.029 -8.999 1.00 0.00 C ATOM 914 O ARG A 82 8.809 -0.143 -8.202 1.00 0.00 O ATOM 915 CB ARG A 82 6.951 0.665 -9.966 1.00 0.00 C ATOM 916 CG ARG A 82 5.877 0.801 -8.884 1.00 0.00 C ATOM 917 CD ARG A 82 4.476 0.641 -9.480 1.00 0.00 C ATOM 918 NE ARG A 82 3.682 1.865 -9.237 1.00 0.00 N ATOM 919 CZ ARG A 82 3.416 2.360 -8.021 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.879 1.737 -6.929 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.685 3.476 -7.896 1.00 0.00 N ATOM 0 H ARG A 82 6.309 -2.191 -9.018 1.00 0.00 H new ATOM 0 HA ARG A 82 7.877 -0.934 -11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.789 1.323 -9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.548 0.986 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.036 0.048 -8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.962 1.775 -8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.547 0.450 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.978 -0.220 -9.034 1.00 0.00 H new ATOM 0 HE ARG A 82 3.314 2.364 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.434 0.886 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.677 2.113 -6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.331 3.949 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.483 3.852 -6.970 1.00 0.00 H new ATOM 1166 N ALA A 99 7.808 -1.528 -5.292 1.00 0.00 N ATOM 1167 CA ALA A 99 6.885 -2.563 -4.859 1.00 0.00 C ATOM 1168 C ALA A 99 6.222 -3.195 -6.086 1.00 0.00 C ATOM 1169 O ALA A 99 6.690 -3.014 -7.209 1.00 0.00 O ATOM 1170 CB ALA A 99 5.864 -1.964 -3.890 1.00 0.00 C ATOM 0 HA ALA A 99 7.416 -3.352 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.172 -2.741 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.382 -1.554 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.310 -1.170 -4.390 1.00 0.00 H new ATOM 1176 N TYR A 100 5.145 -3.923 -5.829 1.00 0.00 N ATOM 1177 CA TYR A 100 4.415 -4.582 -6.897 1.00 0.00 C ATOM 1178 C TYR A 100 2.956 -4.817 -6.501 1.00 0.00 C ATOM 1179 O TYR A 100 2.680 -5.436 -5.474 1.00 0.00 O ATOM 1180 CB TYR A 100 5.099 -5.934 -7.105 1.00 0.00 C ATOM 1181 CG TYR A 100 4.185 -7.137 -6.861 1.00 0.00 C ATOM 1182 CD1 TYR A 100 3.219 -7.468 -7.791 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.326 -7.891 -5.714 1.00 0.00 C ATOM 1184 CE1 TYR A 100 2.359 -8.600 -7.562 1.00 0.00 C ATOM 1185 CE2 TYR A 100 3.466 -9.023 -5.486 1.00 0.00 C ATOM 1186 CZ TYR A 100 2.525 -9.322 -6.421 1.00 0.00 C ATOM 1187 OH TYR A 100 1.712 -10.391 -6.205 1.00 0.00 O ATOM 0 H TYR A 100 4.761 -4.071 -4.896 1.00 0.00 H new ATOM 0 HA TYR A 100 4.419 -3.969 -7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.483 -5.983 -8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.958 -6.002 -6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.109 -6.878 -8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.082 -7.632 -4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.599 -8.870 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.566 -9.621 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 100 0.879 -10.276 -6.708 1.00 0.00 H new ATOM 1196 N ARG A 101 2.060 -4.309 -7.334 1.00 0.00 N ATOM 1197 CA ARG A 101 0.636 -4.455 -7.083 1.00 0.00 C ATOM 1198 C ARG A 101 -0.134 -4.500 -8.404 1.00 0.00 C ATOM 1199 O ARG A 101 -0.052 -3.572 -9.207 1.00 0.00 O ATOM 1200 CB ARG A 101 0.106 -3.301 -6.231 1.00 0.00 C ATOM 1201 CG ARG A 101 0.173 -3.643 -4.741 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.164 -4.196 -4.245 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.035 -3.088 -3.795 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.033 -3.229 -2.912 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.294 -4.430 -2.380 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.773 -2.167 -2.562 1.00 0.00 N ATOM 0 H ARG A 101 2.292 -3.795 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 101 0.489 -5.389 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.689 -2.401 -6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.924 -3.081 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.961 -4.376 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.436 -2.752 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.654 -4.754 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.996 -4.894 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.865 -2.159 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.733 -5.239 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.054 -4.536 -1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.576 -1.252 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.533 -2.274 -1.890 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.864 -5.590 -8.590 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.648 -5.769 -9.800 1.00 0.00 C ATOM 1219 C GLU A 102 -3.138 -5.591 -9.498 1.00 0.00 C ATOM 1220 O GLU A 102 -3.554 -5.661 -8.342 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.376 -7.135 -10.432 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.803 -8.267 -9.497 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.619 -9.177 -9.163 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.181 -9.431 -10.089 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.540 -9.599 -7.989 1.00 0.00 O ATOM 0 H GLU A 102 -0.929 -6.358 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.349 -5.007 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.914 -7.216 -11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.314 -7.229 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.216 -7.849 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.595 -8.851 -9.965 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.901 -5.365 -10.558 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.335 -5.178 -10.421 1.00 0.00 C ATOM 1232 C CYS A 103 -6.040 -6.358 -11.091 1.00 0.00 C ATOM 1233 O CYS A 103 -5.965 -6.523 -12.308 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.788 -3.837 -11.004 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.560 -2.698 -9.797 1.00 0.00 S ATOM 0 H CYS A 103 -3.553 -5.307 -11.515 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.601 -5.150 -9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.926 -3.341 -11.451 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.498 -4.028 -11.808 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.710 -7.151 -10.267 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.429 -8.312 -10.764 1.00 0.00 C ATOM 1241 C LEU A 104 -8.387 -7.877 -11.874 1.00 0.00 C ATOM 1242 O LEU A 104 -8.544 -6.684 -12.130 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.115 -9.050 -9.614 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.229 -9.998 -8.802 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -7.753 -10.146 -7.371 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.086 -11.350 -9.502 1.00 0.00 C ATOM 0 H LEU A 104 -6.770 -7.012 -9.258 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.736 -9.029 -11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.539 -8.310 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.948 -9.623 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.232 -9.562 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.106 -10.825 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.761 -9.171 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.766 -10.548 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.452 -12.004 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.069 -11.805 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.635 -11.206 -10.484 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.003 -8.867 -12.503 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.942 -8.601 -13.580 1.00 0.00 C ATOM 1259 C GLU A 105 -11.287 -8.144 -13.010 1.00 0.00 C ATOM 1260 O GLU A 105 -12.228 -7.888 -13.760 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.114 -9.830 -14.473 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.131 -9.435 -15.951 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.201 -10.673 -16.849 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -11.305 -11.252 -16.932 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.147 -11.011 -17.431 1.00 0.00 O ATOM 0 H GLU A 105 -8.870 -9.855 -12.287 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.539 -7.798 -14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.302 -10.533 -14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.042 -10.342 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.987 -8.789 -16.149 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.236 -8.860 -16.188 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.335 -8.056 -11.689 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.549 -7.635 -11.010 1.00 0.00 C ATOM 1272 C ASN A 106 -12.455 -6.142 -10.687 1.00 0.00 C ATOM 1273 O ASN A 106 -13.392 -5.563 -10.141 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.736 -8.393 -9.695 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.219 -8.618 -9.397 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -14.878 -7.817 -8.755 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.705 -9.750 -9.898 1.00 0.00 N ATOM 0 H ASN A 106 -10.553 -8.269 -11.070 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.393 -7.842 -11.668 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.223 -9.353 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.279 -7.832 -8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.685 -9.992 -9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.097 -10.376 -10.426 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.317 -5.564 -11.040 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.090 -4.150 -10.794 1.00 0.00 C ATOM 1285 C GLY A 107 -10.675 -3.904 -9.342 1.00 0.00 C ATOM 1286 O GLY A 107 -10.845 -2.804 -8.821 1.00 0.00 O ATOM 0 H GLY A 107 -10.543 -6.048 -11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.314 -3.781 -11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.997 -3.589 -11.016 1.00 0.00 H new ATOM 1290 N THR A 108 -10.140 -4.950 -8.729 1.00 0.00 N ATOM 1291 CA THR A 108 -9.700 -4.863 -7.347 1.00 0.00 C ATOM 1292 C THR A 108 -8.174 -4.941 -7.268 1.00 0.00 C ATOM 1293 O THR A 108 -7.509 -5.207 -8.268 1.00 0.00 O ATOM 1294 CB THR A 108 -10.407 -5.964 -6.555 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.119 -7.155 -7.284 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.931 -5.846 -6.620 1.00 0.00 C ATOM 0 H THR A 108 -10.001 -5.862 -9.164 1.00 0.00 H new ATOM 0 HA THR A 108 -9.968 -3.903 -6.906 1.00 0.00 H new ATOM 0 HB THR A 108 -10.085 -5.927 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.538 -7.921 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.383 -6.651 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.239 -4.885 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.258 -5.917 -7.658 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.663 -4.705 -6.068 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.228 -4.746 -5.845 1.00 0.00 C ATOM 1306 C TRP A 109 -5.858 -6.163 -5.402 1.00 0.00 C ATOM 1307 O TRP A 109 -6.695 -7.064 -5.430 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.799 -3.674 -4.840 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.626 -2.282 -5.452 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.354 -1.181 -5.215 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.629 -1.884 -6.416 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.900 -0.107 -5.954 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.818 -0.548 -6.707 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.601 -2.628 -7.022 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.018 0.160 -7.612 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.810 -1.905 -7.924 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -2.987 -0.561 -8.227 1.00 0.00 C ATOM 0 H TRP A 109 -8.217 -4.485 -5.241 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.688 -4.517 -6.764 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.541 -3.620 -4.043 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.858 -3.977 -4.380 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.190 -1.140 -4.532 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.287 0.837 -5.948 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.435 -3.674 -6.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.187 1.205 -7.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.006 -2.429 -8.419 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.332 -0.074 -8.934 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.604 -6.315 -5.001 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.114 -7.607 -4.552 1.00 0.00 C ATOM 1329 C ALA A 110 -4.156 -7.662 -3.024 1.00 0.00 C ATOM 1330 O ALA A 110 -4.720 -6.775 -2.383 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.706 -7.838 -5.106 1.00 0.00 C ATOM 0 H ALA A 110 -3.913 -5.565 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.749 -8.410 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.337 -8.807 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.736 -7.819 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.041 -7.052 -4.748 1.00 0.00 H new ATOM 1337 N SER A 111 -3.552 -8.709 -2.484 1.00 0.00 N ATOM 1338 CA SER A 111 -3.514 -8.890 -1.043 1.00 0.00 C ATOM 1339 C SER A 111 -2.922 -7.648 -0.375 1.00 0.00 C ATOM 1340 O SER A 111 -3.580 -7.003 0.440 1.00 0.00 O ATOM 1341 CB SER A 111 -2.705 -10.133 -0.665 1.00 0.00 C ATOM 1342 OG SER A 111 -3.311 -10.860 0.401 1.00 0.00 O ATOM 0 H SER A 111 -3.085 -9.441 -3.018 1.00 0.00 H new ATOM 0 HA SER A 111 -4.535 -9.033 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.607 -10.781 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.697 -9.835 -0.374 1.00 0.00 H new ATOM 0 HG SER A 111 -2.766 -11.647 0.612 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.685 -7.349 -0.745 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.996 -6.196 -0.192 1.00 0.00 C ATOM 1349 C ARG A 112 0.398 -6.064 -0.808 1.00 0.00 C ATOM 1350 O ARG A 112 1.169 -7.023 -0.819 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.866 -6.308 1.328 1.00 0.00 C ATOM 1352 CG ARG A 112 -1.406 -5.055 2.020 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.092 -5.076 3.516 1.00 0.00 C ATOM 1354 NE ARG A 112 -2.029 -4.191 4.244 1.00 0.00 N ATOM 1355 CZ ARG A 112 -1.906 -3.867 5.538 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -0.884 -4.353 6.256 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -2.804 -3.056 6.114 1.00 0.00 N ATOM 0 H ARG A 112 -1.142 -7.886 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.587 -5.312 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.410 -7.185 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.180 -6.454 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.967 -4.167 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.484 -4.990 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.170 -6.094 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.066 -4.750 3.685 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.818 -3.803 3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.200 -4.969 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.790 -4.106 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.581 -2.685 5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.710 -2.809 7.099 1.00 0.00 H new ATOM 1368 N VAL A 113 0.681 -4.869 -1.306 1.00 0.00 N ATOM 1369 CA VAL A 113 1.968 -4.600 -1.922 1.00 0.00 C ATOM 1370 C VAL A 113 3.071 -5.272 -1.103 1.00 0.00 C ATOM 1371 O VAL A 113 2.877 -5.580 0.072 1.00 0.00 O ATOM 1372 CB VAL A 113 2.171 -3.091 -2.074 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.816 -2.496 -0.820 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.997 -2.771 -3.321 1.00 0.00 C ATOM 0 H VAL A 113 0.040 -4.076 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 113 2.006 -5.022 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 113 1.190 -2.632 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.949 -1.423 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.173 -2.677 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.786 -2.964 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.126 -1.692 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.974 -3.248 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.480 -3.144 -4.205 1.00 0.00 H new