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 Set 1.1: A 62 THR OG1 : rot 53:sc= 0.202 USER MOD Set 1.2: A 70 CYS SG : rot -44:sc= 0.0147 USER MOD Set 2.1: A 59 TYR OH : rot 30:sc= 0.465 USER MOD Set 2.2: A 73 GLN : amide:sc= -6.95! C(o=-6.5!,f=-8!) USER MOD Single : A 58 THR OG1 : rot 26:sc= 0.0402 USER MOD Single : A 61 ASN : amide:sc= -1.06 X(o=-1.1,f=-1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 153:sc= -2.7 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.515 -0.339 -15.124 1.00 0.00 N ATOM 592 CA THR A 58 -15.177 -0.442 -13.714 1.00 0.00 C ATOM 593 C THR A 58 -13.739 -0.936 -13.545 1.00 0.00 C ATOM 594 O THR A 58 -13.456 -2.116 -13.747 1.00 0.00 O ATOM 595 CB THR A 58 -16.213 -1.347 -13.043 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.387 -0.543 -12.981 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.878 -1.634 -11.578 1.00 0.00 C ATOM 0 HA THR A 58 -15.212 0.533 -13.227 1.00 0.00 H new ATOM 0 HB THR A 58 -16.283 -2.288 -13.590 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.364 0.125 -13.698 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.644 -2.280 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.909 -2.130 -11.517 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.841 -0.697 -11.023 1.00 0.00 H new ATOM 605 N TYR A 59 -12.867 -0.008 -13.177 1.00 0.00 N ATOM 606 CA TYR A 59 -11.465 -0.335 -12.980 1.00 0.00 C ATOM 607 C TYR A 59 -11.018 0.009 -11.557 1.00 0.00 C ATOM 608 O TYR A 59 -11.757 0.644 -10.806 1.00 0.00 O ATOM 609 CB TYR A 59 -10.686 0.533 -13.970 1.00 0.00 C ATOM 610 CG TYR A 59 -11.029 2.022 -13.896 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.219 2.484 -14.421 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.149 2.904 -13.302 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.542 3.886 -14.352 1.00 0.00 C ATOM 614 CE2 TYR A 59 -10.471 4.306 -13.232 1.00 0.00 C ATOM 615 CZ TYR A 59 -11.651 4.727 -13.760 1.00 0.00 C ATOM 616 OH TYR A 59 -11.956 6.051 -13.694 1.00 0.00 O ATOM 0 H TYR A 59 -13.105 0.970 -13.010 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.294 -1.400 -13.134 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.619 0.407 -13.787 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.880 0.176 -14.981 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.909 1.794 -14.884 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.219 2.543 -12.890 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.469 4.261 -14.760 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.791 5.007 -12.771 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.929 6.161 -13.646 1.00 0.00 H new ATOM 625 N CYS A 60 -9.811 -0.426 -11.229 1.00 0.00 N ATOM 626 CA CYS A 60 -9.256 -0.172 -9.910 1.00 0.00 C ATOM 627 C CYS A 60 -9.620 1.256 -9.503 1.00 0.00 C ATOM 628 O CYS A 60 -9.695 2.147 -10.348 1.00 0.00 O ATOM 629 CB CYS A 60 -7.744 -0.407 -9.878 1.00 0.00 C ATOM 630 SG CYS A 60 -7.185 -1.929 -10.726 1.00 0.00 S ATOM 0 H CYS A 60 -9.201 -0.953 -11.854 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.682 -0.873 -9.192 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.248 0.449 -10.335 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.419 -0.447 -8.838 1.00 0.00 H new ATOM 634 N ASN A 61 -9.837 1.431 -8.207 1.00 0.00 N ATOM 635 CA ASN A 61 -10.191 2.736 -7.677 1.00 0.00 C ATOM 636 C ASN A 61 -9.045 3.258 -6.809 1.00 0.00 C ATOM 637 O ASN A 61 -8.100 2.527 -6.517 1.00 0.00 O ATOM 638 CB ASN A 61 -11.445 2.654 -6.805 1.00 0.00 C ATOM 639 CG ASN A 61 -12.101 4.029 -6.656 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.615 4.606 -7.601 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.055 4.519 -5.421 1.00 0.00 N ATOM 0 H ASN A 61 -9.774 0.690 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.380 3.402 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.155 1.955 -7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.183 2.264 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.466 5.430 -5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.609 3.983 -4.676 1.00 0.00 H new ATOM 647 N THR A 62 -9.166 4.518 -6.418 1.00 0.00 N ATOM 648 CA THR A 62 -8.152 5.146 -5.589 1.00 0.00 C ATOM 649 C THR A 62 -8.451 4.906 -4.108 1.00 0.00 C ATOM 650 O THR A 62 -9.568 5.141 -3.650 1.00 0.00 O ATOM 651 CB THR A 62 -8.086 6.628 -5.963 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.078 7.158 -5.107 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.351 7.389 -5.564 1.00 0.00 C ATOM 0 H THR A 62 -9.952 5.121 -6.660 1.00 0.00 H new ATOM 0 HA THR A 62 -7.170 4.708 -5.766 1.00 0.00 H new ATOM 0 HB THR A 62 -7.928 6.724 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.263 6.620 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.252 8.436 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.213 6.953 -6.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.491 7.321 -4.485 1.00 0.00 H new ATOM 661 N THR A 63 -7.433 4.441 -3.399 1.00 0.00 N ATOM 662 CA THR A 63 -7.573 4.166 -1.979 1.00 0.00 C ATOM 663 C THR A 63 -6.210 3.844 -1.362 1.00 0.00 C ATOM 664 O THR A 63 -5.278 3.465 -2.069 1.00 0.00 O ATOM 665 CB THR A 63 -8.596 3.042 -1.814 1.00 0.00 C ATOM 666 OG1 THR A 63 -9.337 3.414 -0.655 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.947 1.711 -1.428 1.00 0.00 C ATOM 0 H THR A 63 -6.507 4.248 -3.782 1.00 0.00 H new ATOM 0 HA THR A 63 -7.940 5.040 -1.441 1.00 0.00 H new ATOM 0 HB THR A 63 -9.152 2.919 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.025 2.739 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.718 0.947 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.242 1.412 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.418 1.825 -0.482 1.00 0.00 H new ATOM 675 N LEU A 64 -6.138 4.007 -0.049 1.00 0.00 N ATOM 676 CA LEU A 64 -4.905 3.738 0.672 1.00 0.00 C ATOM 677 C LEU A 64 -4.999 2.364 1.340 1.00 0.00 C ATOM 678 O LEU A 64 -6.079 1.943 1.751 1.00 0.00 O ATOM 679 CB LEU A 64 -4.595 4.876 1.646 1.00 0.00 C ATOM 680 CG LEU A 64 -5.635 5.124 2.740 1.00 0.00 C ATOM 681 CD1 LEU A 64 -5.331 4.291 3.986 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.747 6.616 3.062 1.00 0.00 C ATOM 0 H LEU A 64 -6.913 4.322 0.534 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.061 3.701 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.637 4.669 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.473 5.795 1.073 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.606 4.801 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.086 4.487 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.342 3.232 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.348 4.560 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.493 6.765 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.782 6.987 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.046 7.160 2.166 1.00 0.00 H new ATOM 693 N ASP A 65 -3.854 1.704 1.427 1.00 0.00 N ATOM 694 CA ASP A 65 -3.793 0.388 2.039 1.00 0.00 C ATOM 695 C ASP A 65 -3.148 0.500 3.421 1.00 0.00 C ATOM 696 O ASP A 65 -3.223 1.549 4.062 1.00 0.00 O ATOM 697 CB ASP A 65 -2.947 -0.571 1.199 1.00 0.00 C ATOM 698 CG ASP A 65 -3.393 -2.034 1.242 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.057 -2.701 2.244 1.00 0.00 O ATOM 700 OD2 ASP A 65 -4.059 -2.452 0.271 1.00 0.00 O ATOM 0 H ASP A 65 -2.960 2.056 1.084 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.810 0.004 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.962 -0.233 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.913 -0.512 1.539 1.00 0.00 H new ATOM 704 N GLN A 66 -2.529 -0.593 3.842 1.00 0.00 N ATOM 705 CA GLN A 66 -1.872 -0.628 5.137 1.00 0.00 C ATOM 706 C GLN A 66 -0.448 -0.078 5.025 1.00 0.00 C ATOM 707 O GLN A 66 0.232 0.101 6.034 1.00 0.00 O ATOM 708 CB GLN A 66 -1.867 -2.048 5.711 1.00 0.00 C ATOM 709 CG GLN A 66 -1.521 -2.036 7.200 1.00 0.00 C ATOM 710 CD GLN A 66 -0.745 -3.294 7.593 1.00 0.00 C ATOM 711 OE1 GLN A 66 0.064 -3.815 6.842 1.00 0.00 O ATOM 712 NE2 GLN A 66 -1.033 -3.751 8.808 1.00 0.00 N ATOM 0 H GLN A 66 -2.469 -1.461 3.309 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.433 0.005 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.845 -2.506 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.144 -2.660 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.928 -1.151 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.436 -1.970 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.721 -3.267 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.566 -4.586 9.163 1.00 0.00 H new ATOM 719 N ILE A 67 -0.041 0.174 3.790 1.00 0.00 N ATOM 720 CA ILE A 67 1.288 0.701 3.534 1.00 0.00 C ATOM 721 C ILE A 67 1.187 2.191 3.201 1.00 0.00 C ATOM 722 O ILE A 67 1.916 2.691 2.346 1.00 0.00 O ATOM 723 CB ILE A 67 1.992 -0.124 2.454 1.00 0.00 C ATOM 724 CG1 ILE A 67 1.672 -1.612 2.604 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.499 0.142 2.456 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.508 -2.453 1.638 1.00 0.00 C ATOM 0 H ILE A 67 -0.608 0.023 2.956 1.00 0.00 H new ATOM 0 HA ILE A 67 1.910 0.615 4.425 1.00 0.00 H new ATOM 0 HB ILE A 67 1.611 0.190 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.867 -1.928 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.612 -1.780 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.975 -0.457 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.682 1.199 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.915 -0.127 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.261 -3.507 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.293 -2.151 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.567 -2.301 1.846 1.00 0.00 H new ATOM 737 N GLY A 68 0.277 2.859 3.895 1.00 0.00 N ATOM 738 CA GLY A 68 0.071 4.282 3.685 1.00 0.00 C ATOM 739 C GLY A 68 0.346 4.666 2.229 1.00 0.00 C ATOM 740 O GLY A 68 1.025 5.656 1.963 1.00 0.00 O ATOM 0 H GLY A 68 -0.326 2.441 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.953 4.548 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.727 4.850 4.345 1.00 0.00 H new ATOM 744 N THR A 69 -0.195 3.862 1.326 1.00 0.00 N ATOM 745 CA THR A 69 -0.017 4.105 -0.096 1.00 0.00 C ATOM 746 C THR A 69 -1.374 4.199 -0.795 1.00 0.00 C ATOM 747 O THR A 69 -2.116 3.220 -0.851 1.00 0.00 O ATOM 748 CB THR A 69 0.881 3.000 -0.655 1.00 0.00 C ATOM 749 OG1 THR A 69 1.337 3.520 -1.901 1.00 0.00 O ATOM 750 CG2 THR A 69 0.094 1.746 -1.040 1.00 0.00 C ATOM 0 H THR A 69 -0.757 3.041 1.551 1.00 0.00 H new ATOM 0 HA THR A 69 0.472 5.062 -0.276 1.00 0.00 H new ATOM 0 HB THR A 69 1.640 2.740 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.928 2.867 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.778 0.993 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.415 1.352 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.642 1.998 -1.803 1.00 0.00 H new ATOM 758 N CYS A 70 -1.656 5.387 -1.312 1.00 0.00 N ATOM 759 CA CYS A 70 -2.911 5.620 -2.006 1.00 0.00 C ATOM 760 C CYS A 70 -2.634 5.626 -3.511 1.00 0.00 C ATOM 761 O CYS A 70 -2.099 6.596 -4.044 1.00 0.00 O ATOM 762 CB CYS A 70 -3.579 6.918 -1.545 1.00 0.00 C ATOM 763 SG CYS A 70 -4.610 7.742 -2.811 1.00 0.00 S ATOM 0 H CYS A 70 -1.038 6.197 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 70 -3.614 4.821 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.200 6.702 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.805 7.613 -1.219 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.980 7.746 -3.948 1.00 0.00 H new ATOM 767 N TRP A 71 -3.011 4.529 -4.153 1.00 0.00 N ATOM 768 CA TRP A 71 -2.810 4.395 -5.586 1.00 0.00 C ATOM 769 C TRP A 71 -3.918 5.178 -6.294 1.00 0.00 C ATOM 770 O TRP A 71 -5.097 4.995 -6.000 1.00 0.00 O ATOM 771 CB TRP A 71 -2.762 2.922 -5.997 1.00 0.00 C ATOM 772 CG TRP A 71 -1.582 2.148 -5.405 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.446 1.683 -4.156 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.372 1.767 -6.092 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.240 1.032 -3.988 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.434 1.084 -5.202 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.029 1.991 -7.420 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.690 0.571 -5.545 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.287 1.471 -7.746 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.110 0.782 -6.864 1.00 0.00 C ATOM 0 H TRP A 71 -3.454 3.726 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.847 4.811 -5.881 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.690 2.440 -5.690 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.715 2.860 -7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.186 1.802 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.095 0.593 -3.130 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.585 2.522 -8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.302 0.041 -4.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.643 1.616 -8.755 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.069 0.411 -7.194 1.00 0.00 H new ATOM 790 N PRO A 72 -3.487 6.057 -7.238 1.00 0.00 N ATOM 791 CA PRO A 72 -4.428 6.868 -7.990 1.00 0.00 C ATOM 792 C PRO A 72 -5.149 6.031 -9.049 1.00 0.00 C ATOM 793 O PRO A 72 -4.852 6.137 -10.239 1.00 0.00 O ATOM 794 CB PRO A 72 -3.593 7.989 -8.588 1.00 0.00 C ATOM 795 CG PRO A 72 -2.152 7.507 -8.535 1.00 0.00 C ATOM 796 CD PRO A 72 -2.097 6.300 -7.613 1.00 0.00 C ATOM 0 HA PRO A 72 -5.226 7.272 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.897 8.199 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.717 8.913 -8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.802 7.242 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.498 8.298 -8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.666 5.435 -8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.479 6.498 -6.737 1.00 0.00 H new ATOM 801 N GLN A 73 -6.084 5.218 -8.579 1.00 0.00 N ATOM 802 CA GLN A 73 -6.850 4.363 -9.470 1.00 0.00 C ATOM 803 C GLN A 73 -5.911 3.513 -10.328 1.00 0.00 C ATOM 804 O GLN A 73 -4.706 3.761 -10.368 1.00 0.00 O ATOM 805 CB GLN A 73 -7.794 5.190 -10.346 1.00 0.00 C ATOM 806 CG GLN A 73 -9.074 5.546 -9.588 1.00 0.00 C ATOM 807 CD GLN A 73 -10.311 5.304 -10.457 1.00 0.00 C ATOM 808 OE1 GLN A 73 -10.878 4.225 -10.488 1.00 0.00 O ATOM 809 NE2 GLN A 73 -10.694 6.367 -11.157 1.00 0.00 N ATOM 0 H GLN A 73 -6.328 5.133 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.461 3.695 -8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.292 6.102 -10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.044 4.630 -11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.141 4.948 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.040 6.591 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.173 7.241 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.509 6.309 -11.767 1.00 0.00 H new ATOM 816 N SER A 74 -6.497 2.527 -10.991 1.00 0.00 N ATOM 817 CA SER A 74 -5.727 1.638 -11.846 1.00 0.00 C ATOM 818 C SER A 74 -6.669 0.776 -12.688 1.00 0.00 C ATOM 819 O SER A 74 -7.885 0.825 -12.511 1.00 0.00 O ATOM 820 CB SER A 74 -4.792 0.754 -11.019 1.00 0.00 C ATOM 821 OG SER A 74 -4.202 1.466 -9.935 1.00 0.00 O ATOM 0 H SER A 74 -7.496 2.324 -10.954 1.00 0.00 H new ATOM 0 HA SER A 74 -5.113 2.247 -12.510 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.349 -0.099 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.006 0.357 -11.662 1.00 0.00 H new ATOM 0 HG SER A 74 -3.978 0.840 -9.215 1.00 0.00 H new ATOM 826 N ALA A 75 -6.071 0.006 -13.585 1.00 0.00 N ATOM 827 CA ALA A 75 -6.842 -0.866 -14.455 1.00 0.00 C ATOM 828 C ALA A 75 -6.921 -2.261 -13.831 1.00 0.00 C ATOM 829 O ALA A 75 -5.990 -2.697 -13.155 1.00 0.00 O ATOM 830 CB ALA A 75 -6.211 -0.886 -15.849 1.00 0.00 C ATOM 0 H ALA A 75 -5.062 -0.032 -13.728 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.861 -0.495 -14.564 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.790 -1.540 -16.501 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.205 0.123 -16.260 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.188 -1.255 -15.780 1.00 0.00 H new ATOM 836 N PRO A 76 -8.070 -2.941 -14.086 1.00 0.00 N ATOM 837 CA PRO A 76 -8.282 -4.278 -13.557 1.00 0.00 C ATOM 838 C PRO A 76 -7.459 -5.311 -14.330 1.00 0.00 C ATOM 839 O PRO A 76 -7.128 -5.099 -15.495 1.00 0.00 O ATOM 840 CB PRO A 76 -9.781 -4.511 -13.666 1.00 0.00 C ATOM 841 CG PRO A 76 -10.289 -3.492 -14.673 1.00 0.00 C ATOM 842 CD PRO A 76 -9.194 -2.458 -14.882 1.00 0.00 C ATOM 0 HA PRO A 76 -7.950 -4.379 -12.524 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.995 -5.527 -13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.268 -4.381 -12.699 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.539 -3.979 -15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.199 -3.016 -14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.926 -2.373 -15.935 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.515 -1.469 -14.554 1.00 0.00 H new ATOM 847 N GLY A 77 -7.152 -6.405 -13.649 1.00 0.00 N ATOM 848 CA GLY A 77 -6.373 -7.470 -14.257 1.00 0.00 C ATOM 849 C GLY A 77 -5.076 -6.927 -14.860 1.00 0.00 C ATOM 850 O GLY A 77 -4.465 -7.572 -15.710 1.00 0.00 O ATOM 0 H GLY A 77 -7.429 -6.577 -12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.141 -8.228 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.962 -7.958 -15.033 1.00 0.00 H new ATOM 854 N ALA A 78 -4.695 -5.745 -14.396 1.00 0.00 N ATOM 855 CA ALA A 78 -3.483 -5.108 -14.880 1.00 0.00 C ATOM 856 C ALA A 78 -2.311 -5.500 -13.976 1.00 0.00 C ATOM 857 O ALA A 78 -2.339 -6.550 -13.337 1.00 0.00 O ATOM 858 CB ALA A 78 -3.691 -3.594 -14.940 1.00 0.00 C ATOM 0 H ALA A 78 -5.204 -5.213 -13.691 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.249 -5.445 -15.890 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.781 -3.116 -15.303 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.515 -3.366 -15.616 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.925 -3.219 -13.944 1.00 0.00 H new ATOM 864 N LEU A 79 -1.308 -4.634 -13.953 1.00 0.00 N ATOM 865 CA LEU A 79 -0.129 -4.876 -13.139 1.00 0.00 C ATOM 866 C LEU A 79 0.550 -3.542 -12.824 1.00 0.00 C ATOM 867 O LEU A 79 1.327 -3.032 -13.629 1.00 0.00 O ATOM 868 CB LEU A 79 0.792 -5.890 -13.820 1.00 0.00 C ATOM 869 CG LEU A 79 0.830 -7.287 -13.197 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.210 -8.323 -14.137 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.254 -7.666 -12.786 1.00 0.00 C ATOM 0 H LEU A 79 -1.288 -3.764 -14.485 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.409 -5.324 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.486 -5.987 -14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.805 -5.487 -13.822 1.00 0.00 H new ATOM 0 HG LEU A 79 0.226 -7.273 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.250 -9.307 -13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.828 -8.058 -14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.766 -8.343 -15.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.252 -8.663 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.900 -7.657 -13.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.625 -6.948 -12.055 1.00 0.00 H new ATOM 882 N VAL A 80 0.233 -3.017 -11.649 1.00 0.00 N ATOM 883 CA VAL A 80 0.803 -1.752 -11.217 1.00 0.00 C ATOM 884 C VAL A 80 2.098 -2.018 -10.447 1.00 0.00 C ATOM 885 O VAL A 80 2.197 -1.697 -9.264 1.00 0.00 O ATOM 886 CB VAL A 80 -0.226 -0.965 -10.403 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.104 0.529 -10.400 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.643 -1.211 -10.926 1.00 0.00 C ATOM 0 H VAL A 80 -0.411 -3.444 -10.983 1.00 0.00 H new ATOM 0 HA VAL A 80 1.058 -1.134 -12.078 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.181 -1.321 -9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.643 1.065 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.089 0.683 -9.960 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.101 0.904 -11.423 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.355 -0.640 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.706 -0.896 -11.967 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.878 -2.273 -10.853 1.00 0.00 H new ATOM 898 N GLU A 81 3.058 -2.602 -11.149 1.00 0.00 N ATOM 899 CA GLU A 81 4.341 -2.914 -10.547 1.00 0.00 C ATOM 900 C GLU A 81 5.347 -1.796 -10.828 1.00 0.00 C ATOM 901 O GLU A 81 5.371 -1.239 -11.925 1.00 0.00 O ATOM 902 CB GLU A 81 4.868 -4.262 -11.043 1.00 0.00 C ATOM 903 CG GLU A 81 4.601 -4.436 -12.540 1.00 0.00 C ATOM 904 CD GLU A 81 5.692 -5.284 -13.197 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.597 -6.524 -13.076 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.597 -4.673 -13.805 1.00 0.00 O ATOM 0 H GLU A 81 2.972 -2.867 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 81 4.203 -2.990 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.939 -4.332 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.391 -5.070 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.630 -4.909 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.556 -3.459 -13.021 1.00 0.00 H new ATOM 911 N ARG A 82 6.153 -1.499 -9.819 1.00 0.00 N ATOM 912 CA ARG A 82 7.158 -0.457 -9.945 1.00 0.00 C ATOM 913 C ARG A 82 8.496 -0.940 -9.382 1.00 0.00 C ATOM 914 O ARG A 82 9.012 -0.368 -8.423 1.00 0.00 O ATOM 915 CB ARG A 82 6.729 0.812 -9.206 1.00 0.00 C ATOM 916 CG ARG A 82 5.361 1.294 -9.691 1.00 0.00 C ATOM 917 CD ARG A 82 5.062 2.704 -9.176 1.00 0.00 C ATOM 918 NE ARG A 82 3.602 2.952 -9.199 1.00 0.00 N ATOM 919 CZ ARG A 82 2.917 3.300 -10.296 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.553 3.445 -11.466 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.595 3.505 -10.223 1.00 0.00 N ATOM 0 H ARG A 82 6.130 -1.962 -8.910 1.00 0.00 H new ATOM 0 HA ARG A 82 7.268 -0.227 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.691 0.617 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.471 1.596 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.335 1.288 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.587 0.607 -9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.443 2.818 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.574 3.442 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 82 3.086 2.851 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.560 3.290 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.031 3.710 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.110 3.396 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.073 3.770 -11.058 1.00 0.00 H new ATOM 1166 N ALA A 99 8.357 -4.242 -6.956 1.00 0.00 N ATOM 1167 CA ALA A 99 7.004 -3.832 -6.621 1.00 0.00 C ATOM 1168 C ALA A 99 6.026 -4.444 -7.626 1.00 0.00 C ATOM 1169 O ALA A 99 6.368 -4.636 -8.792 1.00 0.00 O ATOM 1170 CB ALA A 99 6.926 -2.304 -6.590 1.00 0.00 C ATOM 0 HA ALA A 99 6.729 -4.193 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.911 -1.997 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.618 -1.920 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.194 -1.906 -7.569 1.00 0.00 H new ATOM 1176 N TYR A 100 4.829 -4.734 -7.138 1.00 0.00 N ATOM 1177 CA TYR A 100 3.800 -5.321 -7.978 1.00 0.00 C ATOM 1178 C TYR A 100 2.539 -5.628 -7.168 1.00 0.00 C ATOM 1179 O TYR A 100 2.613 -6.248 -6.108 1.00 0.00 O ATOM 1180 CB TYR A 100 4.384 -6.633 -8.506 1.00 0.00 C ATOM 1181 CG TYR A 100 4.928 -7.556 -7.414 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.231 -7.416 -6.978 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.118 -8.528 -6.865 1.00 0.00 C ATOM 1184 CE1 TYR A 100 6.743 -8.284 -5.950 1.00 0.00 C ATOM 1185 CE2 TYR A 100 4.631 -9.397 -5.837 1.00 0.00 C ATOM 1186 CZ TYR A 100 5.917 -9.232 -5.431 1.00 0.00 C ATOM 1187 OH TYR A 100 6.402 -10.053 -4.460 1.00 0.00 O ATOM 0 H TYR A 100 4.549 -4.573 -6.171 1.00 0.00 H new ATOM 0 HA TYR A 100 3.521 -4.635 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.613 -7.163 -9.065 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.186 -6.405 -9.208 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.866 -6.655 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.099 -8.638 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.760 -8.185 -5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.007 -10.162 -5.399 1.00 0.00 H new ATOM 0 HH TYR A 100 5.702 -10.680 -4.182 1.00 0.00 H new ATOM 1196 N ARG A 101 1.410 -5.180 -7.698 1.00 0.00 N ATOM 1197 CA ARG A 101 0.135 -5.398 -7.036 1.00 0.00 C ATOM 1198 C ARG A 101 -0.946 -5.734 -8.066 1.00 0.00 C ATOM 1199 O ARG A 101 -1.879 -4.959 -8.267 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.293 -4.162 -6.243 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.394 -4.477 -4.749 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.547 -3.709 -4.102 1.00 0.00 C ATOM 1203 NE ARG A 101 -1.974 -4.387 -2.859 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.604 -3.776 -1.846 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.885 -2.468 -1.926 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -2.954 -4.472 -0.757 1.00 0.00 N ATOM 0 H ARG A 101 1.352 -4.667 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 101 0.258 -6.233 -6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.425 -3.357 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.256 -3.806 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.542 -5.548 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.542 -4.218 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.235 -2.688 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.385 -3.643 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.776 -5.383 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.619 -1.939 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.364 -2.001 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.741 -5.468 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.433 -4.006 0.014 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.783 -6.891 -8.691 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.733 -7.339 -9.696 1.00 0.00 C ATOM 1219 C GLU A 102 -3.156 -6.949 -9.292 1.00 0.00 C ATOM 1220 O GLU A 102 -3.623 -7.318 -8.216 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.622 -8.848 -9.921 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.391 -9.584 -8.599 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.041 -10.305 -8.601 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.981 -9.594 -8.715 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.062 -11.549 -8.489 1.00 0.00 O ATOM 0 H GLU A 102 -0.008 -7.532 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.495 -6.846 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.533 -9.217 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.801 -9.058 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.427 -8.874 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.192 -10.305 -8.435 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.805 -6.206 -10.176 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.166 -5.761 -9.925 1.00 0.00 C ATOM 1232 C CYS A 103 -6.124 -6.858 -10.393 1.00 0.00 C ATOM 1233 O CYS A 103 -6.109 -7.243 -11.561 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.457 -4.421 -10.603 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.254 -3.173 -9.527 1.00 0.00 S ATOM 0 H CYS A 103 -3.414 -5.901 -11.067 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.305 -5.590 -8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.521 -4.010 -10.980 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.098 -4.598 -11.466 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.935 -7.330 -9.457 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.898 -8.375 -9.761 1.00 0.00 C ATOM 1241 C LEU A 104 -8.805 -7.912 -10.902 1.00 0.00 C ATOM 1242 O LEU A 104 -8.859 -6.722 -11.213 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.659 -8.785 -8.498 1.00 0.00 C ATOM 1244 CG LEU A 104 -8.078 -9.967 -7.719 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.658 -10.030 -6.305 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -8.282 -11.278 -8.481 1.00 0.00 C ATOM 0 H LEU A 104 -6.945 -7.008 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.388 -9.275 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.707 -7.924 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.684 -9.029 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.003 -9.816 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.229 -10.879 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.419 -9.109 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.740 -10.147 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.860 -12.102 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.348 -11.449 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.783 -11.218 -9.448 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.496 -8.874 -11.494 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.400 -8.580 -12.594 1.00 0.00 C ATOM 1259 C GLU A 105 -11.687 -7.943 -12.067 1.00 0.00 C ATOM 1260 O GLU A 105 -12.590 -7.629 -12.842 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.703 -9.840 -13.407 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.196 -9.701 -14.844 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.535 -10.945 -15.667 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -11.743 -11.250 -15.764 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.578 -11.563 -16.181 1.00 0.00 O ATOM 0 H GLU A 105 -9.449 -9.859 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.912 -7.868 -13.260 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.235 -10.703 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.777 -10.024 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.642 -8.821 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.117 -9.546 -14.840 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.731 -7.770 -10.754 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.893 -7.177 -10.116 1.00 0.00 C ATOM 1272 C ASN A 106 -12.638 -5.685 -9.887 1.00 0.00 C ATOM 1273 O ASN A 106 -13.511 -4.970 -9.401 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.165 -7.824 -8.757 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.653 -8.137 -8.587 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.347 -7.554 -7.769 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.102 -9.087 -9.402 1.00 0.00 N ATOM 0 H ASN A 106 -10.980 -8.030 -10.115 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.752 -7.333 -10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.584 -8.741 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.837 -7.157 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.082 -9.369 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.467 -9.534 -10.063 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.435 -5.262 -10.249 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.054 -3.868 -10.088 1.00 0.00 C ATOM 1285 C GLY A 107 -10.601 -3.585 -8.655 1.00 0.00 C ATOM 1286 O GLY A 107 -10.870 -2.513 -8.115 1.00 0.00 O ATOM 0 H GLY A 107 -10.713 -5.859 -10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.250 -3.625 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.898 -3.225 -10.340 1.00 0.00 H new ATOM 1290 N THR A 108 -9.918 -4.564 -8.080 1.00 0.00 N ATOM 1291 CA THR A 108 -9.425 -4.434 -6.721 1.00 0.00 C ATOM 1292 C THR A 108 -7.901 -4.575 -6.690 1.00 0.00 C ATOM 1293 O THR A 108 -7.292 -4.983 -7.678 1.00 0.00 O ATOM 1294 CB THR A 108 -10.147 -5.467 -5.854 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.993 -6.690 -6.570 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.660 -5.245 -5.817 1.00 0.00 C ATOM 0 H THR A 108 -9.695 -5.451 -8.532 1.00 0.00 H new ATOM 0 HA THR A 108 -9.637 -3.444 -6.318 1.00 0.00 H new ATOM 0 HB THR A 108 -9.750 -5.431 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.431 -7.415 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.124 -6.005 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.873 -4.257 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.063 -5.315 -6.827 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.329 -4.228 -5.547 1.00 0.00 N ATOM 1305 CA TRP A 109 -5.889 -4.311 -5.374 1.00 0.00 C ATOM 1306 C TRP A 109 -5.554 -5.710 -4.854 1.00 0.00 C ATOM 1307 O TRP A 109 -6.423 -6.579 -4.796 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.381 -3.195 -4.459 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.288 -1.827 -5.137 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.027 -0.735 -4.897 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.370 -1.447 -6.183 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.654 0.317 -5.709 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.614 -0.130 -6.515 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.365 -2.190 -6.828 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -3.896 0.558 -7.501 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.657 -1.490 -7.810 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -2.890 -0.163 -8.157 1.00 0.00 C ATOM 0 H TRP A 109 -7.837 -3.888 -4.731 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.378 -4.162 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.043 -3.117 -3.596 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.396 -3.469 -4.081 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.815 -0.684 -4.161 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.066 1.250 -5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.156 -3.221 -6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.107 1.589 -7.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.874 -2.016 -8.336 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.299 0.309 -8.928 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.293 -5.885 -4.490 1.00 0.00 N ATOM 1328 CA ALA A 110 -3.832 -7.164 -3.976 1.00 0.00 C ATOM 1329 C ALA A 110 -3.779 -7.106 -2.448 1.00 0.00 C ATOM 1330 O ALA A 110 -4.646 -6.505 -1.815 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.474 -7.503 -4.593 1.00 0.00 C ATOM 0 H ALA A 110 -3.575 -5.162 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.524 -7.960 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.128 -8.462 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.571 -7.561 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.753 -6.727 -4.335 1.00 0.00 H new ATOM 1337 N SER A 111 -2.754 -7.740 -1.898 1.00 0.00 N ATOM 1338 CA SER A 111 -2.577 -7.767 -0.456 1.00 0.00 C ATOM 1339 C SER A 111 -1.228 -7.151 -0.083 1.00 0.00 C ATOM 1340 O SER A 111 -1.148 -6.332 0.832 1.00 0.00 O ATOM 1341 CB SER A 111 -2.675 -9.196 0.083 1.00 0.00 C ATOM 1342 OG SER A 111 -3.979 -9.494 0.572 1.00 0.00 O ATOM 0 H SER A 111 -2.037 -8.239 -2.425 1.00 0.00 H new ATOM 0 HA SER A 111 -3.375 -7.180 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.415 -9.900 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.948 -9.332 0.884 1.00 0.00 H new ATOM 0 HG SER A 111 -4.001 -10.415 0.905 1.00 0.00 H new ATOM 1347 N ARG A 112 -0.201 -7.566 -0.810 1.00 0.00 N ATOM 1348 CA ARG A 112 1.140 -7.064 -0.565 1.00 0.00 C ATOM 1349 C ARG A 112 1.591 -6.169 -1.721 1.00 0.00 C ATOM 1350 O ARG A 112 1.713 -6.628 -2.856 1.00 0.00 O ATOM 1351 CB ARG A 112 2.137 -8.214 -0.401 1.00 0.00 C ATOM 1352 CG ARG A 112 2.501 -8.419 1.070 1.00 0.00 C ATOM 1353 CD ARG A 112 3.901 -7.878 1.369 1.00 0.00 C ATOM 1354 NE ARG A 112 4.080 -7.717 2.830 1.00 0.00 N ATOM 1355 CZ ARG A 112 3.632 -6.667 3.530 1.00 0.00 C ATOM 1356 NH1 ARG A 112 2.976 -5.678 2.908 1.00 0.00 N ATOM 1357 NH2 ARG A 112 3.840 -6.605 4.852 1.00 0.00 N ATOM 0 H ARG A 112 -0.271 -8.244 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 112 1.114 -6.486 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.709 -9.132 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.038 -8.003 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.770 -7.916 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.457 -9.480 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.655 -8.559 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.044 -6.920 0.869 1.00 0.00 H new ATOM 0 HE ARG A 112 4.576 -8.452 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.818 -5.725 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.635 -4.878 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.340 -7.358 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.499 -5.805 5.385 1.00 0.00 H new ATOM 1368 N VAL A 113 1.824 -4.906 -1.394 1.00 0.00 N ATOM 1369 CA VAL A 113 2.259 -3.942 -2.391 1.00 0.00 C ATOM 1370 C VAL A 113 3.675 -3.473 -2.056 1.00 0.00 C ATOM 1371 O VAL A 113 4.148 -3.661 -0.936 1.00 0.00 O ATOM 1372 CB VAL A 113 1.252 -2.793 -2.479 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.250 -1.966 -1.192 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.535 -1.910 -3.697 1.00 0.00 C ATOM 0 H VAL A 113 1.720 -4.528 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 113 2.295 -4.402 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 113 0.259 -3.226 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.526 -1.156 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.980 -2.604 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.243 -1.548 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.806 -1.101 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.538 -1.491 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.463 -2.509 -4.605 1.00 0.00 H new