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 38:sc= 0.118 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.686 K(o=-0.69,f=-3!) USER MOD Single : A 62 THR OG1 : rot 23:sc= -1.3! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.73) USER MOD Single : A 69 THR OG1 : rot 42:sc= -0.363 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.11 K(o=-1.1,f=-6!) USER MOD Single : A 74 SER OG : rot 172:sc= -0.471 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= -1.85 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00362 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -14.327 -0.410 -16.534 1.00 0.00 N ATOM 592 CA THR A 58 -14.049 -1.032 -15.251 1.00 0.00 C ATOM 593 C THR A 58 -12.589 -0.806 -14.854 1.00 0.00 C ATOM 594 O THR A 58 -11.678 -1.303 -15.514 1.00 0.00 O ATOM 595 CB THR A 58 -14.428 -2.512 -15.351 1.00 0.00 C ATOM 596 OG1 THR A 58 -15.848 -2.498 -15.475 1.00 0.00 O ATOM 597 CG2 THR A 58 -14.176 -3.271 -14.047 1.00 0.00 C ATOM 0 HA THR A 58 -14.644 -0.581 -14.456 1.00 0.00 H new ATOM 0 HB THR A 58 -13.861 -2.978 -16.157 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.120 -1.741 -16.035 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.462 -4.315 -14.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.118 -3.213 -13.791 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.768 -2.827 -13.247 1.00 0.00 H new ATOM 605 N TYR A 59 -12.412 -0.054 -13.777 1.00 0.00 N ATOM 606 CA TYR A 59 -11.078 0.244 -13.284 1.00 0.00 C ATOM 607 C TYR A 59 -10.956 -0.090 -11.796 1.00 0.00 C ATOM 608 O TYR A 59 -11.959 -0.169 -11.089 1.00 0.00 O ATOM 609 CB TYR A 59 -10.887 1.750 -13.473 1.00 0.00 C ATOM 610 CG TYR A 59 -10.042 2.122 -14.693 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.279 1.511 -15.908 1.00 0.00 C ATOM 612 CD2 TYR A 59 -9.045 3.069 -14.580 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.484 1.861 -17.057 1.00 0.00 C ATOM 614 CE2 TYR A 59 -8.250 3.419 -15.729 1.00 0.00 C ATOM 615 CZ TYR A 59 -8.509 2.798 -16.911 1.00 0.00 C ATOM 616 OH TYR A 59 -7.759 3.128 -17.995 1.00 0.00 O ATOM 0 H TYR A 59 -13.170 0.357 -13.232 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.331 -0.343 -13.818 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.866 2.221 -13.564 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.417 2.161 -12.579 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.060 0.771 -15.997 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.861 3.548 -13.630 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.658 1.390 -18.013 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.466 4.158 -15.654 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.103 3.811 -17.743 1.00 0.00 H new ATOM 625 N CYS A 60 -9.718 -0.280 -11.365 1.00 0.00 N ATOM 626 CA CYS A 60 -9.451 -0.605 -9.974 1.00 0.00 C ATOM 627 C CYS A 60 -9.879 0.586 -9.112 1.00 0.00 C ATOM 628 O CYS A 60 -9.922 1.718 -9.589 1.00 0.00 O ATOM 629 CB CYS A 60 -7.983 -0.972 -9.750 1.00 0.00 C ATOM 630 SG CYS A 60 -7.480 -2.584 -10.455 1.00 0.00 S ATOM 0 H CYS A 60 -8.888 -0.215 -11.955 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.025 -1.486 -9.687 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.358 -0.191 -10.182 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.785 -0.982 -8.678 1.00 0.00 H new ATOM 634 N ASN A 61 -10.185 0.287 -7.859 1.00 0.00 N ATOM 635 CA ASN A 61 -10.608 1.318 -6.925 1.00 0.00 C ATOM 636 C ASN A 61 -9.379 1.910 -6.235 1.00 0.00 C ATOM 637 O ASN A 61 -8.342 1.254 -6.135 1.00 0.00 O ATOM 638 CB ASN A 61 -11.524 0.740 -5.845 1.00 0.00 C ATOM 639 CG ASN A 61 -11.825 1.783 -4.766 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.103 2.938 -5.042 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.753 1.311 -3.525 1.00 0.00 N ATOM 0 H ASN A 61 -10.149 -0.654 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.148 2.080 -7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.456 0.400 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.053 -0.132 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.936 1.928 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.515 0.332 -3.365 1.00 0.00 H new ATOM 647 N THR A 62 -9.533 3.143 -5.776 1.00 0.00 N ATOM 648 CA THR A 62 -8.449 3.831 -5.097 1.00 0.00 C ATOM 649 C THR A 62 -8.357 3.376 -3.640 1.00 0.00 C ATOM 650 O THR A 62 -9.370 3.057 -3.021 1.00 0.00 O ATOM 651 CB THR A 62 -8.675 5.337 -5.251 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.489 5.922 -4.720 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.788 5.858 -4.338 1.00 0.00 C ATOM 0 H THR A 62 -10.394 3.684 -5.861 1.00 0.00 H new ATOM 0 HA THR A 62 -7.485 3.585 -5.542 1.00 0.00 H new ATOM 0 HB THR A 62 -8.920 5.563 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.758 5.270 -4.756 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.908 6.931 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.723 5.352 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.527 5.662 -3.298 1.00 0.00 H new ATOM 661 N THR A 63 -7.133 3.360 -3.134 1.00 0.00 N ATOM 662 CA THR A 63 -6.895 2.949 -1.761 1.00 0.00 C ATOM 663 C THR A 63 -5.403 3.023 -1.433 1.00 0.00 C ATOM 664 O THR A 63 -4.566 3.047 -2.333 1.00 0.00 O ATOM 665 CB THR A 63 -7.488 1.550 -1.577 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.071 1.588 -0.277 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.414 0.467 -1.472 1.00 0.00 C ATOM 0 H THR A 63 -6.295 3.625 -3.651 1.00 0.00 H new ATOM 0 HA THR A 63 -7.385 3.621 -1.057 1.00 0.00 H new ATOM 0 HB THR A 63 -8.150 1.324 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.480 0.720 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.889 -0.505 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.815 0.460 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.771 0.674 -0.616 1.00 0.00 H new ATOM 675 N LEU A 64 -5.115 3.058 -0.140 1.00 0.00 N ATOM 676 CA LEU A 64 -3.739 3.130 0.320 1.00 0.00 C ATOM 677 C LEU A 64 -3.284 1.741 0.773 1.00 0.00 C ATOM 678 O LEU A 64 -4.071 0.796 0.772 1.00 0.00 O ATOM 679 CB LEU A 64 -3.588 4.207 1.395 1.00 0.00 C ATOM 680 CG LEU A 64 -4.440 4.024 2.652 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.563 3.742 3.873 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.359 5.228 2.872 1.00 0.00 C ATOM 0 H LEU A 64 -5.812 3.038 0.604 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.081 3.432 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.540 4.250 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.833 5.172 0.951 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.079 3.153 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.194 3.616 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.988 2.831 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.881 4.577 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.954 5.072 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.757 6.129 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.022 5.341 2.014 1.00 0.00 H new ATOM 693 N ASP A 65 -2.015 1.661 1.147 1.00 0.00 N ATOM 694 CA ASP A 65 -1.447 0.404 1.601 1.00 0.00 C ATOM 695 C ASP A 65 -0.870 0.588 3.007 1.00 0.00 C ATOM 696 O ASP A 65 -0.877 1.694 3.545 1.00 0.00 O ATOM 697 CB ASP A 65 -0.311 -0.050 0.681 1.00 0.00 C ATOM 698 CG ASP A 65 -0.220 -1.562 0.466 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.221 -2.127 -0.027 1.00 0.00 O ATOM 700 OD2 ASP A 65 0.847 -2.121 0.799 1.00 0.00 O ATOM 0 H ASP A 65 -1.365 2.447 1.145 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.239 -0.345 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.433 0.433 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.634 0.301 1.095 1.00 0.00 H new ATOM 704 N GLN A 66 -0.386 -0.514 3.561 1.00 0.00 N ATOM 705 CA GLN A 66 0.193 -0.487 4.894 1.00 0.00 C ATOM 706 C GLN A 66 1.417 0.431 4.924 1.00 0.00 C ATOM 707 O GLN A 66 1.801 0.925 5.983 1.00 0.00 O ATOM 708 CB GLN A 66 0.554 -1.898 5.362 1.00 0.00 C ATOM 709 CG GLN A 66 0.667 -1.958 6.888 1.00 0.00 C ATOM 710 CD GLN A 66 -0.717 -1.961 7.540 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.648 -2.602 7.079 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.799 -1.211 8.635 1.00 0.00 N ATOM 0 H GLN A 66 -0.383 -1.430 3.112 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.551 -0.089 5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.205 -2.603 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.498 -2.204 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.213 -2.855 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.241 -1.104 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.020 -0.700 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.681 -1.146 9.144 1.00 0.00 H new ATOM 719 N ILE A 67 1.996 0.630 3.749 1.00 0.00 N ATOM 720 CA ILE A 67 3.168 1.479 3.627 1.00 0.00 C ATOM 721 C ILE A 67 2.735 2.877 3.181 1.00 0.00 C ATOM 722 O ILE A 67 3.415 3.514 2.377 1.00 0.00 O ATOM 723 CB ILE A 67 4.204 0.833 2.706 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.590 0.484 1.348 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.848 -0.384 3.373 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.676 0.299 0.286 1.00 0.00 C ATOM 0 H ILE A 67 1.675 0.218 2.873 1.00 0.00 H new ATOM 0 HA ILE A 67 3.660 1.590 4.593 1.00 0.00 H new ATOM 0 HB ILE A 67 4.997 1.558 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.002 -0.430 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.906 1.275 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.581 -0.824 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.344 -0.075 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.079 -1.121 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.213 0.052 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.246 1.222 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.344 -0.509 0.585 1.00 0.00 H new ATOM 737 N GLY A 68 1.607 3.314 3.721 1.00 0.00 N ATOM 738 CA GLY A 68 1.076 4.624 3.389 1.00 0.00 C ATOM 739 C GLY A 68 1.196 4.901 1.888 1.00 0.00 C ATOM 740 O GLY A 68 1.279 6.054 1.471 1.00 0.00 O ATOM 0 H GLY A 68 1.046 2.783 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.030 4.684 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.613 5.390 3.948 1.00 0.00 H new ATOM 744 N THR A 69 1.204 3.822 1.119 1.00 0.00 N ATOM 745 CA THR A 69 1.313 3.933 -0.325 1.00 0.00 C ATOM 746 C THR A 69 -0.074 4.072 -0.956 1.00 0.00 C ATOM 747 O THR A 69 -0.825 3.100 -1.035 1.00 0.00 O ATOM 748 CB THR A 69 2.093 2.720 -0.836 1.00 0.00 C ATOM 749 OG1 THR A 69 3.410 2.916 -0.328 1.00 0.00 O ATOM 750 CG2 THR A 69 2.275 2.737 -2.355 1.00 0.00 C ATOM 0 H THR A 69 1.137 2.866 1.469 1.00 0.00 H new ATOM 0 HA THR A 69 1.858 4.832 -0.611 1.00 0.00 H new ATOM 0 HB THR A 69 1.576 1.807 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.360 3.235 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.835 1.854 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.298 2.735 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.822 3.634 -2.646 1.00 0.00 H new ATOM 758 N CYS A 70 -0.373 5.288 -1.389 1.00 0.00 N ATOM 759 CA CYS A 70 -1.657 5.567 -2.010 1.00 0.00 C ATOM 760 C CYS A 70 -1.681 4.896 -3.386 1.00 0.00 C ATOM 761 O CYS A 70 -0.638 4.725 -4.015 1.00 0.00 O ATOM 762 CB CYS A 70 -1.926 7.070 -2.104 1.00 0.00 C ATOM 763 SG CYS A 70 -1.686 7.790 -3.769 1.00 0.00 S ATOM 0 H CYS A 70 0.252 6.091 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.458 5.159 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.950 7.262 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.271 7.587 -1.402 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.943 9.064 -3.732 1.00 0.00 H new ATOM 767 N TRP A 71 -2.882 4.533 -3.811 1.00 0.00 N ATOM 768 CA TRP A 71 -3.056 3.885 -5.099 1.00 0.00 C ATOM 769 C TRP A 71 -4.409 4.318 -5.668 1.00 0.00 C ATOM 770 O TRP A 71 -5.448 3.790 -5.276 1.00 0.00 O ATOM 771 CB TRP A 71 -2.920 2.367 -4.972 1.00 0.00 C ATOM 772 CG TRP A 71 -1.539 1.904 -4.503 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.147 1.604 -3.257 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.374 1.696 -5.331 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.178 1.222 -3.221 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.663 1.279 -4.522 1.00 0.00 C ATOM 777 CE3 TRP A 71 -0.203 1.856 -6.717 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.943 0.988 -5.007 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.082 1.560 -7.187 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.137 1.139 -6.385 1.00 0.00 C ATOM 0 H TRP A 71 -3.745 4.676 -3.286 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.273 4.191 -5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.672 2.002 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.136 1.911 -5.938 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.788 1.655 -2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.705 0.948 -2.392 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.001 2.182 -7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.739 0.664 -4.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.267 1.666 -8.246 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.102 0.929 -6.823 1.00 0.00 H new ATOM 790 N PRO A 72 -4.350 5.300 -6.606 1.00 0.00 N ATOM 791 CA PRO A 72 -5.557 5.810 -7.233 1.00 0.00 C ATOM 792 C PRO A 72 -6.105 4.815 -8.258 1.00 0.00 C ATOM 793 O PRO A 72 -5.360 3.994 -8.791 1.00 0.00 O ATOM 794 CB PRO A 72 -5.149 7.137 -7.853 1.00 0.00 C ATOM 795 CG PRO A 72 -3.633 7.102 -7.952 1.00 0.00 C ATOM 796 CD PRO A 72 -3.137 5.949 -7.095 1.00 0.00 C ATOM 0 HA PRO A 72 -6.372 5.951 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.602 7.264 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.481 7.974 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.321 6.970 -8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.206 8.044 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.526 5.259 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.519 6.306 -6.271 1.00 0.00 H new ATOM 801 N GLN A 73 -7.403 4.922 -8.505 1.00 0.00 N ATOM 802 CA GLN A 73 -8.059 4.043 -9.457 1.00 0.00 C ATOM 803 C GLN A 73 -7.116 3.717 -10.616 1.00 0.00 C ATOM 804 O GLN A 73 -6.260 4.527 -10.972 1.00 0.00 O ATOM 805 CB GLN A 73 -9.361 4.661 -9.968 1.00 0.00 C ATOM 806 CG GLN A 73 -10.419 4.702 -8.863 1.00 0.00 C ATOM 807 CD GLN A 73 -11.779 4.237 -9.387 1.00 0.00 C ATOM 808 OE1 GLN A 73 -12.314 3.217 -8.984 1.00 0.00 O ATOM 809 NE2 GLN A 73 -12.306 5.038 -10.310 1.00 0.00 N ATOM 0 H GLN A 73 -8.018 5.605 -8.062 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.312 3.113 -8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.170 5.671 -10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.735 4.083 -10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.108 4.066 -8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.503 5.716 -8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.806 5.877 -10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.210 4.813 -10.724 1.00 0.00 H new ATOM 816 N SER A 74 -7.302 2.529 -11.173 1.00 0.00 N ATOM 817 CA SER A 74 -6.477 2.087 -12.285 1.00 0.00 C ATOM 818 C SER A 74 -7.224 1.029 -13.101 1.00 0.00 C ATOM 819 O SER A 74 -8.451 0.957 -13.056 1.00 0.00 O ATOM 820 CB SER A 74 -5.141 1.530 -11.791 1.00 0.00 C ATOM 821 OG SER A 74 -4.610 2.292 -10.712 1.00 0.00 O ATOM 0 H SER A 74 -8.011 1.859 -10.875 1.00 0.00 H new ATOM 0 HA SER A 74 -6.268 2.948 -12.921 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.275 0.496 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.426 1.520 -12.614 1.00 0.00 H new ATOM 0 HG SER A 74 -3.827 1.833 -10.342 1.00 0.00 H new ATOM 826 N ALA A 75 -6.452 0.236 -13.829 1.00 0.00 N ATOM 827 CA ALA A 75 -7.025 -0.814 -14.654 1.00 0.00 C ATOM 828 C ALA A 75 -7.069 -2.119 -13.856 1.00 0.00 C ATOM 829 O ALA A 75 -6.212 -2.359 -13.006 1.00 0.00 O ATOM 830 CB ALA A 75 -6.215 -0.948 -15.945 1.00 0.00 C ATOM 0 H ALA A 75 -5.435 0.299 -13.865 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.048 -0.565 -14.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.645 -1.736 -16.564 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.240 -0.004 -16.490 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.183 -1.200 -15.702 1.00 0.00 H new ATOM 836 N PRO A 76 -8.101 -2.947 -14.165 1.00 0.00 N ATOM 837 CA PRO A 76 -8.268 -4.221 -13.484 1.00 0.00 C ATOM 838 C PRO A 76 -7.250 -5.247 -13.985 1.00 0.00 C ATOM 839 O PRO A 76 -6.829 -5.196 -15.140 1.00 0.00 O ATOM 840 CB PRO A 76 -9.707 -4.629 -13.760 1.00 0.00 C ATOM 841 CG PRO A 76 -10.150 -3.808 -14.960 1.00 0.00 C ATOM 842 CD PRO A 76 -9.134 -2.696 -15.164 1.00 0.00 C ATOM 0 HA PRO A 76 -8.086 -4.152 -12.412 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.777 -5.696 -13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.342 -4.432 -12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.213 -4.435 -15.849 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.143 -3.392 -14.792 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.722 -2.717 -16.173 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.588 -1.715 -15.025 1.00 0.00 H new ATOM 847 N GLY A 77 -6.883 -6.154 -13.093 1.00 0.00 N ATOM 848 CA GLY A 77 -5.922 -7.190 -13.429 1.00 0.00 C ATOM 849 C GLY A 77 -4.863 -6.662 -14.399 1.00 0.00 C ATOM 850 O GLY A 77 -4.602 -7.275 -15.433 1.00 0.00 O ATOM 0 H GLY A 77 -7.234 -6.193 -12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.440 -7.552 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.439 -8.039 -13.876 1.00 0.00 H new ATOM 854 N ALA A 78 -4.282 -5.529 -14.030 1.00 0.00 N ATOM 855 CA ALA A 78 -3.258 -4.911 -14.854 1.00 0.00 C ATOM 856 C ALA A 78 -1.917 -4.964 -14.119 1.00 0.00 C ATOM 857 O ALA A 78 -0.882 -4.609 -14.681 1.00 0.00 O ATOM 858 CB ALA A 78 -3.676 -3.481 -15.204 1.00 0.00 C ATOM 0 H ALA A 78 -4.501 -5.024 -13.172 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.141 -5.454 -15.792 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.907 -3.018 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.618 -3.501 -15.751 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.801 -2.904 -14.288 1.00 0.00 H new ATOM 864 N LEU A 79 -1.979 -5.409 -12.872 1.00 0.00 N ATOM 865 CA LEU A 79 -0.783 -5.512 -12.053 1.00 0.00 C ATOM 866 C LEU A 79 0.016 -4.211 -12.160 1.00 0.00 C ATOM 867 O LEU A 79 0.733 -3.997 -13.137 1.00 0.00 O ATOM 868 CB LEU A 79 0.019 -6.758 -12.432 1.00 0.00 C ATOM 869 CG LEU A 79 -0.394 -7.454 -13.731 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.588 -8.569 -14.093 1.00 0.00 C ATOM 871 CD2 LEU A 79 -1.834 -7.964 -13.646 1.00 0.00 C ATOM 0 H LEU A 79 -2.839 -5.702 -12.409 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.049 -5.639 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.070 -6.479 -12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.059 -7.478 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.359 -6.721 -14.537 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.271 -9.047 -15.020 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.585 -8.148 -14.225 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.610 -9.309 -13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.102 -8.454 -14.582 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.920 -8.676 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.507 -7.125 -13.470 1.00 0.00 H new ATOM 882 N VAL A 80 -0.134 -3.377 -11.142 1.00 0.00 N ATOM 883 CA VAL A 80 0.565 -2.104 -11.109 1.00 0.00 C ATOM 884 C VAL A 80 2.050 -2.349 -10.834 1.00 0.00 C ATOM 885 O VAL A 80 2.596 -1.843 -9.855 1.00 0.00 O ATOM 886 CB VAL A 80 -0.088 -1.175 -10.082 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.477 -1.424 -8.682 1.00 0.00 C ATOM 888 CG2 VAL A 80 0.075 0.291 -10.487 1.00 0.00 C ATOM 0 H VAL A 80 -0.729 -3.558 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 80 0.492 -1.603 -12.074 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.155 -1.398 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.003 -0.752 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.286 -2.457 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.552 -1.241 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.398 0.929 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.135 0.534 -10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.396 0.455 -11.456 1.00 0.00 H new ATOM 898 N GLU A 81 2.661 -3.124 -11.717 1.00 0.00 N ATOM 899 CA GLU A 81 4.073 -3.442 -11.582 1.00 0.00 C ATOM 900 C GLU A 81 4.930 -2.264 -12.048 1.00 0.00 C ATOM 901 O GLU A 81 4.763 -1.773 -13.164 1.00 0.00 O ATOM 902 CB GLU A 81 4.424 -4.716 -12.355 1.00 0.00 C ATOM 903 CG GLU A 81 4.064 -4.574 -13.836 1.00 0.00 C ATOM 904 CD GLU A 81 5.324 -4.512 -14.703 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.058 -5.523 -14.710 1.00 0.00 O ATOM 906 OE2 GLU A 81 5.523 -3.454 -15.339 1.00 0.00 O ATOM 0 H GLU A 81 2.205 -3.541 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 81 4.285 -3.625 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.489 -4.925 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.890 -5.564 -11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.446 -5.417 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.471 -3.672 -13.985 1.00 0.00 H new ATOM 911 N ARG A 82 5.828 -1.843 -11.169 1.00 0.00 N ATOM 912 CA ARG A 82 6.711 -0.731 -11.478 1.00 0.00 C ATOM 913 C ARG A 82 7.962 -0.786 -10.597 1.00 0.00 C ATOM 914 O ARG A 82 8.246 0.154 -9.857 1.00 0.00 O ATOM 915 CB ARG A 82 6.004 0.609 -11.264 1.00 0.00 C ATOM 916 CG ARG A 82 5.567 0.772 -9.807 1.00 0.00 C ATOM 917 CD ARG A 82 4.055 0.580 -9.663 1.00 0.00 C ATOM 918 NE ARG A 82 3.383 1.895 -9.585 1.00 0.00 N ATOM 919 CZ ARG A 82 3.625 2.808 -8.635 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.526 2.554 -7.676 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.968 3.976 -8.644 1.00 0.00 N ATOM 0 H ARG A 82 5.963 -2.251 -10.244 1.00 0.00 H new ATOM 0 HA ARG A 82 6.996 -0.815 -12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.672 1.425 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.134 0.674 -11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.090 0.047 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.847 1.762 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.669 0.015 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.838 -0.002 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 82 2.691 2.121 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.027 1.666 -7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.710 3.249 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.283 4.170 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.153 4.671 -7.920 1.00 0.00 H new ATOM 1166 N ALA A 99 6.828 -0.209 -6.331 1.00 0.00 N ATOM 1167 CA ALA A 99 5.827 -1.160 -5.877 1.00 0.00 C ATOM 1168 C ALA A 99 5.454 -2.091 -7.031 1.00 0.00 C ATOM 1169 O ALA A 99 6.036 -2.012 -8.112 1.00 0.00 O ATOM 1170 CB ALA A 99 4.617 -0.403 -5.324 1.00 0.00 C ATOM 0 HA ALA A 99 6.222 -1.777 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.866 -1.116 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.930 0.222 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.192 0.225 -6.107 1.00 0.00 H new ATOM 1176 N TYR A 100 4.485 -2.955 -6.764 1.00 0.00 N ATOM 1177 CA TYR A 100 4.028 -3.901 -7.767 1.00 0.00 C ATOM 1178 C TYR A 100 3.096 -4.946 -7.151 1.00 0.00 C ATOM 1179 O TYR A 100 3.532 -5.788 -6.367 1.00 0.00 O ATOM 1180 CB TYR A 100 5.284 -4.601 -8.290 1.00 0.00 C ATOM 1181 CG TYR A 100 5.116 -6.107 -8.500 1.00 0.00 C ATOM 1182 CD1 TYR A 100 4.194 -6.577 -9.415 1.00 0.00 C ATOM 1183 CD2 TYR A 100 5.885 -6.995 -7.776 1.00 0.00 C ATOM 1184 CE1 TYR A 100 4.036 -7.995 -9.611 1.00 0.00 C ATOM 1185 CE2 TYR A 100 5.725 -8.413 -7.973 1.00 0.00 C ATOM 1186 CZ TYR A 100 4.809 -8.843 -8.882 1.00 0.00 C ATOM 1187 OH TYR A 100 4.659 -10.182 -9.068 1.00 0.00 O ATOM 0 H TYR A 100 4.004 -3.019 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 100 3.476 -3.388 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.576 -4.143 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.101 -4.431 -7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.593 -5.882 -9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.607 -6.627 -7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.318 -8.377 -10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.319 -9.119 -7.412 1.00 0.00 H new ATOM 0 HH TYR A 100 5.277 -10.665 -8.481 1.00 0.00 H new ATOM 1196 N ARG A 101 1.829 -4.858 -7.528 1.00 0.00 N ATOM 1197 CA ARG A 101 0.831 -5.786 -7.022 1.00 0.00 C ATOM 1198 C ARG A 101 -0.219 -6.074 -8.096 1.00 0.00 C ATOM 1199 O ARG A 101 -0.544 -5.203 -8.902 1.00 0.00 O ATOM 1200 CB ARG A 101 0.137 -5.224 -5.779 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.782 -4.058 -6.144 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.889 -3.885 -5.102 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.242 -2.454 -4.970 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.866 -1.929 -3.907 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.209 -2.714 -2.876 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.145 -0.620 -3.874 1.00 0.00 N ATOM 0 H ARG A 101 1.470 -4.158 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 101 1.343 -6.710 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.442 -6.010 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.885 -4.891 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.199 -3.140 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.225 -4.233 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.768 -4.459 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.558 -4.277 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.995 -1.828 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.995 -3.711 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.684 -2.314 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.883 -0.023 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.620 -0.220 -3.065 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.720 -7.301 -8.075 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.727 -7.715 -9.038 1.00 0.00 C ATOM 1219 C GLU A 102 -3.093 -7.145 -8.655 1.00 0.00 C ATOM 1220 O GLU A 102 -3.391 -6.977 -7.473 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.781 -9.240 -9.153 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.837 -9.676 -10.170 1.00 0.00 C ATOM 1223 CD GLU A 102 -3.081 -11.185 -10.094 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.107 -11.902 -9.782 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -4.237 -11.585 -10.350 1.00 0.00 O ATOM 0 H GLU A 102 -0.447 -8.022 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.452 -7.320 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.804 -9.621 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.008 -9.674 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.769 -9.143 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.512 -9.407 -11.175 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.889 -6.863 -9.676 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.218 -6.317 -9.461 1.00 0.00 C ATOM 1232 C CYS A 103 -6.245 -7.372 -9.876 1.00 0.00 C ATOM 1233 O CYS A 103 -5.906 -8.341 -10.553 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.416 -5.000 -10.215 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.393 -3.740 -9.316 1.00 0.00 S ATOM 0 H CYS A 103 -3.639 -7.003 -10.655 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.350 -6.080 -8.405 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.437 -4.581 -10.450 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.908 -5.212 -11.164 1.00 0.00 H new ATOM 1239 N LEU A 104 -7.481 -7.148 -9.451 1.00 0.00 N ATOM 1240 CA LEU A 104 -8.559 -8.068 -9.771 1.00 0.00 C ATOM 1241 C LEU A 104 -9.230 -7.628 -11.074 1.00 0.00 C ATOM 1242 O LEU A 104 -9.245 -6.442 -11.399 1.00 0.00 O ATOM 1243 CB LEU A 104 -9.526 -8.190 -8.591 1.00 0.00 C ATOM 1244 CG LEU A 104 -9.443 -9.488 -7.786 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -10.257 -9.386 -6.496 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -9.864 -10.688 -8.637 1.00 0.00 C ATOM 0 H LEU A 104 -7.759 -6.344 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.167 -9.071 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.349 -7.354 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.543 -8.084 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.404 -9.646 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.181 -10.322 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.870 -8.571 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.302 -9.192 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.796 -11.598 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.891 -10.552 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.205 -10.770 -9.501 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.771 -8.607 -11.783 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.442 -8.336 -13.044 1.00 0.00 C ATOM 1259 C GLU A 105 -11.796 -7.670 -12.791 1.00 0.00 C ATOM 1260 O GLU A 105 -12.504 -7.318 -13.733 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.604 -9.616 -13.866 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.925 -9.482 -15.230 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.710 -10.854 -15.872 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.842 -11.591 -15.358 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.418 -11.134 -16.864 1.00 0.00 O ATOM 0 H GLU A 105 -9.759 -9.589 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.824 -7.650 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.174 -10.458 -13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.663 -9.833 -14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.536 -8.862 -15.885 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.966 -8.976 -15.115 1.00 0.00 H new ATOM 1270 N ASN A 106 -12.115 -7.520 -11.514 1.00 0.00 N ATOM 1271 CA ASN A 106 -13.372 -6.903 -11.126 1.00 0.00 C ATOM 1272 C ASN A 106 -13.131 -5.430 -10.790 1.00 0.00 C ATOM 1273 O ASN A 106 -14.064 -4.707 -10.444 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.959 -7.581 -9.886 1.00 0.00 C ATOM 1275 CG ASN A 106 -15.417 -7.981 -10.117 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -16.337 -7.198 -9.952 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.576 -9.242 -10.508 1.00 0.00 N ATOM 0 H ASN A 106 -11.526 -7.815 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.069 -7.007 -11.958 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.371 -8.465 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.895 -6.905 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.512 -9.606 -10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.762 -9.845 -10.627 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.873 -5.029 -10.904 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.497 -3.655 -10.616 1.00 0.00 C ATOM 1285 C GLY A 107 -11.200 -3.468 -9.127 1.00 0.00 C ATOM 1286 O GLY A 107 -11.696 -2.530 -8.504 1.00 0.00 O ATOM 0 H GLY A 107 -11.102 -5.631 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.619 -3.384 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.301 -2.984 -10.917 1.00 0.00 H new ATOM 1290 N THR A 108 -10.392 -4.376 -8.599 1.00 0.00 N ATOM 1291 CA THR A 108 -10.022 -4.323 -7.194 1.00 0.00 C ATOM 1292 C THR A 108 -8.539 -4.654 -7.020 1.00 0.00 C ATOM 1293 O THR A 108 -7.982 -5.444 -7.782 1.00 0.00 O ATOM 1294 CB THR A 108 -10.950 -5.267 -6.426 1.00 0.00 C ATOM 1295 OG1 THR A 108 -11.196 -6.331 -7.340 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.332 -4.658 -6.181 1.00 0.00 C ATOM 0 H THR A 108 -9.983 -5.153 -9.119 1.00 0.00 H new ATOM 0 HA THR A 108 -10.148 -3.319 -6.789 1.00 0.00 H new ATOM 0 HB THR A 108 -10.494 -5.527 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.789 -6.990 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.951 -5.368 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.228 -3.742 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.803 -4.429 -7.137 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.942 -4.033 -6.014 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.533 -4.252 -5.731 1.00 0.00 C ATOM 1306 C TRP A 109 -6.397 -5.604 -5.028 1.00 0.00 C ATOM 1307 O TRP A 109 -7.363 -6.361 -4.937 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.952 -3.094 -4.917 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.782 -1.798 -5.712 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.538 -0.693 -5.659 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.756 -1.516 -6.686 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.076 0.277 -6.525 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.958 -0.239 -7.170 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.692 -2.313 -7.145 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.137 0.354 -8.136 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.881 -1.707 -8.111 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.072 -0.422 -8.608 1.00 0.00 C ATOM 0 H TRP A 109 -8.407 -3.379 -5.385 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.953 -4.280 -6.654 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.602 -2.902 -4.063 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.983 -3.394 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.400 -0.576 -5.019 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.481 1.203 -6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.515 -3.314 -6.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.316 1.356 -8.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.049 -2.277 -8.498 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.401 -0.025 -9.355 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.190 -5.867 -4.549 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.915 -7.115 -3.857 1.00 0.00 C ATOM 1329 C ALA A 110 -4.988 -6.884 -2.346 1.00 0.00 C ATOM 1330 O ALA A 110 -5.909 -6.230 -1.860 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.553 -7.655 -4.299 1.00 0.00 C ATOM 0 H ALA A 110 -4.391 -5.237 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.662 -7.867 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.347 -8.591 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.563 -7.831 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.778 -6.928 -4.058 1.00 0.00 H new ATOM 1337 N SER A 111 -4.005 -7.432 -1.647 1.00 0.00 N ATOM 1338 CA SER A 111 -3.947 -7.292 -0.203 1.00 0.00 C ATOM 1339 C SER A 111 -2.961 -6.185 0.177 1.00 0.00 C ATOM 1340 O SER A 111 -3.291 -5.300 0.965 1.00 0.00 O ATOM 1341 CB SER A 111 -3.547 -8.611 0.463 1.00 0.00 C ATOM 1342 OG SER A 111 -2.483 -9.257 -0.231 1.00 0.00 O ATOM 0 H SER A 111 -3.243 -7.974 -2.054 1.00 0.00 H new ATOM 0 HA SER A 111 -4.941 -7.023 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.245 -8.420 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.411 -9.275 0.501 1.00 0.00 H new ATOM 0 HG SER A 111 -2.255 -10.094 0.225 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.772 -6.273 -0.399 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.736 -5.290 -0.131 1.00 0.00 C ATOM 1349 C ARG A 112 0.244 -5.219 -1.303 1.00 0.00 C ATOM 1350 O ARG A 112 0.579 -6.242 -1.901 1.00 0.00 O ATOM 1351 CB ARG A 112 0.032 -5.634 1.147 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.048 -4.489 2.159 1.00 0.00 C ATOM 1353 CD ARG A 112 1.338 -4.142 2.705 1.00 0.00 C ATOM 1354 NE ARG A 112 1.481 -4.654 4.086 1.00 0.00 N ATOM 1355 CZ ARG A 112 2.639 -4.688 4.759 1.00 0.00 C ATOM 1356 NH1 ARG A 112 3.763 -4.241 4.181 1.00 0.00 N ATOM 1357 NH2 ARG A 112 2.674 -5.170 6.008 1.00 0.00 N ATOM 0 H ARG A 112 -1.502 -7.010 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.222 -4.323 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.377 -6.543 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.075 -5.838 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.487 -3.611 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.706 -4.771 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.108 -4.575 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.483 -3.062 2.692 1.00 0.00 H new ATOM 0 HE ARG A 112 0.645 -5.003 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.736 -3.875 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.645 -4.267 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.819 -5.511 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.556 -5.196 6.520 1.00 0.00 H new ATOM 1368 N VAL A 113 0.678 -4.002 -1.598 1.00 0.00 N ATOM 1369 CA VAL A 113 1.614 -3.785 -2.688 1.00 0.00 C ATOM 1370 C VAL A 113 2.974 -3.384 -2.114 1.00 0.00 C ATOM 1371 O VAL A 113 3.059 -2.485 -1.279 1.00 0.00 O ATOM 1372 CB VAL A 113 1.049 -2.752 -3.665 1.00 0.00 C ATOM 1373 CG1 VAL A 113 0.814 -1.410 -2.967 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.965 -2.586 -4.878 1.00 0.00 C ATOM 0 H VAL A 113 0.399 -3.156 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 113 1.759 -4.704 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 113 0.086 -3.118 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.412 -0.693 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.104 -1.544 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.758 -1.036 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.540 -1.846 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.949 -2.253 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.060 -3.541 -5.396 1.00 0.00 H new