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 47:sc= 0.138 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 29:sc= -0.176 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0707 K(o=-0.071,f=-1.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.131 USER MOD Single : A 73 GLN :FLIP amide:sc= -1.15 F(o=-2.8,f=-1.2) USER MOD Single : A 74 SER OG : rot -169:sc= -0.696 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= -1.23 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.453 -0.077 -13.381 1.00 0.00 N ATOM 592 CA THR A 58 -15.066 -1.459 -13.605 1.00 0.00 C ATOM 593 C THR A 58 -13.546 -1.607 -13.522 1.00 0.00 C ATOM 594 O THR A 58 -12.999 -2.648 -13.882 1.00 0.00 O ATOM 595 CB THR A 58 -15.646 -1.901 -14.950 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.056 -1.895 -14.738 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.324 -3.360 -15.275 1.00 0.00 C ATOM 0 HA THR A 58 -15.468 -2.112 -12.831 1.00 0.00 H new ATOM 0 HB THR A 58 -15.259 -1.259 -15.741 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.316 -1.063 -14.289 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.759 -3.622 -16.240 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.243 -3.494 -15.316 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.741 -4.005 -14.502 1.00 0.00 H new ATOM 605 N TYR A 59 -12.905 -0.551 -13.044 1.00 0.00 N ATOM 606 CA TYR A 59 -11.458 -0.549 -12.909 1.00 0.00 C ATOM 607 C TYR A 59 -11.045 -0.399 -11.443 1.00 0.00 C ATOM 608 O TYR A 59 -11.879 -0.108 -10.586 1.00 0.00 O ATOM 609 CB TYR A 59 -10.962 0.666 -13.694 1.00 0.00 C ATOM 610 CG TYR A 59 -11.835 1.912 -13.530 1.00 0.00 C ATOM 611 CD1 TYR A 59 -11.799 2.631 -12.353 1.00 0.00 C ATOM 612 CD2 TYR A 59 -12.661 2.316 -14.560 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.621 3.803 -12.200 1.00 0.00 C ATOM 614 CE2 TYR A 59 -13.483 3.488 -14.407 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.422 4.174 -13.234 1.00 0.00 C ATOM 616 OH TYR A 59 -14.199 5.281 -13.089 1.00 0.00 O ATOM 0 H TYR A 59 -13.362 0.311 -12.745 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.037 -1.484 -13.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.947 0.902 -13.375 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.912 0.407 -14.752 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.154 2.315 -11.546 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.690 1.753 -15.481 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.602 4.375 -11.284 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.133 3.815 -15.205 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.718 5.426 -13.908 1.00 0.00 H new ATOM 625 N CYS A 60 -9.759 -0.604 -11.200 1.00 0.00 N ATOM 626 CA CYS A 60 -9.225 -0.494 -9.853 1.00 0.00 C ATOM 627 C CYS A 60 -9.511 0.918 -9.337 1.00 0.00 C ATOM 628 O CYS A 60 -9.287 1.899 -10.044 1.00 0.00 O ATOM 629 CB CYS A 60 -7.732 -0.826 -9.808 1.00 0.00 C ATOM 630 SG CYS A 60 -7.238 -2.277 -10.807 1.00 0.00 S ATOM 0 H CYS A 60 -9.071 -0.846 -11.913 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.712 -1.223 -9.205 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.171 0.043 -10.152 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.444 -1.001 -8.771 1.00 0.00 H new ATOM 634 N ASN A 61 -10.001 0.974 -8.107 1.00 0.00 N ATOM 635 CA ASN A 61 -10.320 2.249 -7.487 1.00 0.00 C ATOM 636 C ASN A 61 -9.064 2.819 -6.825 1.00 0.00 C ATOM 637 O ASN A 61 -7.971 2.280 -6.994 1.00 0.00 O ATOM 638 CB ASN A 61 -11.391 2.084 -6.407 1.00 0.00 C ATOM 639 CG ASN A 61 -12.270 3.332 -6.311 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.890 3.762 -7.270 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.291 3.888 -5.102 1.00 0.00 N ATOM 0 H ASN A 61 -10.185 0.158 -7.524 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.691 2.917 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.010 1.216 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.916 1.895 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.850 4.725 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.749 3.477 -4.342 1.00 0.00 H new ATOM 647 N THR A 62 -9.262 3.899 -6.085 1.00 0.00 N ATOM 648 CA THR A 62 -8.159 4.547 -5.396 1.00 0.00 C ATOM 649 C THR A 62 -8.148 4.155 -3.917 1.00 0.00 C ATOM 650 O THR A 62 -9.192 4.154 -3.265 1.00 0.00 O ATOM 651 CB THR A 62 -8.278 6.055 -5.624 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.049 6.580 -5.129 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.344 6.699 -4.734 1.00 0.00 C ATOM 0 H THR A 62 -10.170 4.342 -5.947 1.00 0.00 H new ATOM 0 HA THR A 62 -7.199 4.219 -5.793 1.00 0.00 H new ATOM 0 HB THR A 62 -8.515 6.246 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.344 5.906 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.388 7.769 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.314 6.250 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.090 6.537 -3.687 1.00 0.00 H new ATOM 661 N THR A 63 -6.959 3.832 -3.432 1.00 0.00 N ATOM 662 CA THR A 63 -6.801 3.439 -2.042 1.00 0.00 C ATOM 663 C THR A 63 -5.320 3.247 -1.708 1.00 0.00 C ATOM 664 O THR A 63 -4.522 2.910 -2.581 1.00 0.00 O ATOM 665 CB THR A 63 -7.644 2.185 -1.805 1.00 0.00 C ATOM 666 OG1 THR A 63 -7.579 1.983 -0.396 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.000 0.927 -2.392 1.00 0.00 C ATOM 0 H THR A 63 -6.096 3.834 -3.976 1.00 0.00 H new ATOM 0 HA THR A 63 -7.157 4.219 -1.368 1.00 0.00 H new ATOM 0 HB THR A 63 -8.633 2.325 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.101 1.190 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.639 0.066 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.876 1.050 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.025 0.768 -1.931 1.00 0.00 H new ATOM 675 N LEU A 64 -4.997 3.471 -0.442 1.00 0.00 N ATOM 676 CA LEU A 64 -3.626 3.326 0.018 1.00 0.00 C ATOM 677 C LEU A 64 -3.573 2.267 1.121 1.00 0.00 C ATOM 678 O LEU A 64 -4.177 2.436 2.179 1.00 0.00 O ATOM 679 CB LEU A 64 -3.057 4.682 0.439 1.00 0.00 C ATOM 680 CG LEU A 64 -3.995 5.583 1.245 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.117 5.094 2.690 1.00 0.00 C ATOM 682 CD2 LEU A 64 -3.552 7.045 1.169 1.00 0.00 C ATOM 0 H LEU A 64 -5.661 3.752 0.279 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.986 2.975 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.157 4.509 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.751 5.220 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.989 5.526 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.789 5.752 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.515 4.079 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.134 5.102 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.236 7.663 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.544 7.141 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.560 7.374 0.130 1.00 0.00 H new ATOM 693 N ASP A 65 -2.843 1.199 0.836 1.00 0.00 N ATOM 694 CA ASP A 65 -2.701 0.112 1.791 1.00 0.00 C ATOM 695 C ASP A 65 -1.577 0.446 2.774 1.00 0.00 C ATOM 696 O ASP A 65 -1.304 1.616 3.036 1.00 0.00 O ATOM 697 CB ASP A 65 -2.340 -1.196 1.086 1.00 0.00 C ATOM 698 CG ASP A 65 -2.996 -2.449 1.671 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.684 -2.298 2.704 1.00 0.00 O ATOM 700 OD2 ASP A 65 -2.795 -3.527 1.073 1.00 0.00 O ATOM 0 H ASP A 65 -2.343 1.063 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.652 -0.008 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.620 -1.114 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.258 -1.322 1.118 1.00 0.00 H new ATOM 704 N GLN A 66 -0.956 -0.604 3.291 1.00 0.00 N ATOM 705 CA GLN A 66 0.132 -0.437 4.240 1.00 0.00 C ATOM 706 C GLN A 66 1.241 0.423 3.629 1.00 0.00 C ATOM 707 O GLN A 66 2.098 0.937 4.346 1.00 0.00 O ATOM 708 CB GLN A 66 0.677 -1.793 4.693 1.00 0.00 C ATOM 709 CG GLN A 66 0.994 -1.783 6.190 1.00 0.00 C ATOM 710 CD GLN A 66 -0.258 -2.078 7.018 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.333 -2.331 6.497 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.061 -2.032 8.332 1.00 0.00 N ATOM 0 H GLN A 66 -1.185 -1.573 3.071 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.255 0.075 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.053 -2.573 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.578 -2.034 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.762 -2.526 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.401 -0.812 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.864 -1.814 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.835 -2.215 8.970 1.00 0.00 H new ATOM 719 N ILE A 67 1.188 0.552 2.312 1.00 0.00 N ATOM 720 CA ILE A 67 2.177 1.342 1.597 1.00 0.00 C ATOM 721 C ILE A 67 1.599 2.727 1.298 1.00 0.00 C ATOM 722 O ILE A 67 0.757 2.874 0.414 1.00 0.00 O ATOM 723 CB ILE A 67 2.659 0.595 0.351 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.862 -0.294 0.677 1.00 0.00 C ATOM 725 CG2 ILE A 67 2.959 1.569 -0.790 1.00 0.00 C ATOM 726 CD1 ILE A 67 5.090 0.551 1.022 1.00 0.00 C ATOM 0 H ILE A 67 0.476 0.123 1.721 1.00 0.00 H new ATOM 0 HA ILE A 67 3.063 1.493 2.214 1.00 0.00 H new ATOM 0 HB ILE A 67 1.856 -0.060 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.619 -0.948 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.086 -0.936 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.300 1.013 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.055 2.123 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.737 2.266 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.931 -0.105 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.345 1.186 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.871 1.174 1.889 1.00 0.00 H new ATOM 737 N GLY A 68 2.076 3.707 2.053 1.00 0.00 N ATOM 738 CA GLY A 68 1.616 5.075 1.880 1.00 0.00 C ATOM 739 C GLY A 68 1.285 5.360 0.414 1.00 0.00 C ATOM 740 O GLY A 68 0.212 5.877 0.106 1.00 0.00 O ATOM 0 H GLY A 68 2.775 3.581 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.733 5.246 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.384 5.767 2.224 1.00 0.00 H new ATOM 744 N THR A 69 2.226 5.013 -0.452 1.00 0.00 N ATOM 745 CA THR A 69 2.047 5.225 -1.878 1.00 0.00 C ATOM 746 C THR A 69 0.588 4.995 -2.272 1.00 0.00 C ATOM 747 O THR A 69 0.162 3.856 -2.457 1.00 0.00 O ATOM 748 CB THR A 69 3.027 4.313 -2.618 1.00 0.00 C ATOM 749 OG1 THR A 69 3.949 5.215 -3.227 1.00 0.00 O ATOM 750 CG2 THR A 69 2.377 3.591 -3.800 1.00 0.00 C ATOM 0 H THR A 69 3.115 4.586 -0.193 1.00 0.00 H new ATOM 0 HA THR A 69 2.267 6.256 -2.155 1.00 0.00 H new ATOM 0 HB THR A 69 3.434 3.578 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.622 4.707 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.116 2.957 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.552 2.976 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.999 4.325 -4.512 1.00 0.00 H new ATOM 758 N CYS A 70 -0.142 6.095 -2.389 1.00 0.00 N ATOM 759 CA CYS A 70 -1.545 6.028 -2.759 1.00 0.00 C ATOM 760 C CYS A 70 -1.636 5.910 -4.282 1.00 0.00 C ATOM 761 O CYS A 70 -0.837 6.505 -5.003 1.00 0.00 O ATOM 762 CB CYS A 70 -2.327 7.234 -2.233 1.00 0.00 C ATOM 763 SG CYS A 70 -3.869 7.606 -3.144 1.00 0.00 S ATOM 0 H CYS A 70 0.213 7.039 -2.234 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.003 5.152 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.573 7.060 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.681 8.111 -2.267 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.448 8.641 -2.612 1.00 0.00 H new ATOM 767 N TRP A 71 -2.616 5.137 -4.725 1.00 0.00 N ATOM 768 CA TRP A 71 -2.822 4.933 -6.149 1.00 0.00 C ATOM 769 C TRP A 71 -4.184 5.523 -6.519 1.00 0.00 C ATOM 770 O TRP A 71 -5.222 4.985 -6.138 1.00 0.00 O ATOM 771 CB TRP A 71 -2.693 3.453 -6.515 1.00 0.00 C ATOM 772 CG TRP A 71 -1.661 2.693 -5.680 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.706 2.409 -4.371 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.419 2.129 -6.152 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.590 1.706 -3.966 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.218 1.530 -5.084 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.147 2.124 -7.439 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.454 0.882 -5.195 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.383 1.473 -7.532 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.037 0.864 -6.467 1.00 0.00 C ATOM 0 H TRP A 71 -3.276 4.644 -4.123 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.052 5.444 -6.727 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.665 2.974 -6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.424 3.372 -7.568 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.515 2.695 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.394 1.376 -3.021 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.334 2.586 -8.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.932 0.420 -4.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.862 1.442 -8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.990 0.380 -6.621 1.00 0.00 H new ATOM 790 N PRO A 72 -4.135 6.651 -7.277 1.00 0.00 N ATOM 791 CA PRO A 72 -5.352 7.321 -7.703 1.00 0.00 C ATOM 792 C PRO A 72 -6.035 6.549 -8.834 1.00 0.00 C ATOM 793 O PRO A 72 -5.867 6.881 -10.007 1.00 0.00 O ATOM 794 CB PRO A 72 -4.911 8.714 -8.117 1.00 0.00 C ATOM 795 CG PRO A 72 -3.410 8.625 -8.350 1.00 0.00 C ATOM 796 CD PRO A 72 -2.924 7.317 -7.747 1.00 0.00 C ATOM 0 HA PRO A 72 -6.101 7.374 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.428 9.035 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.143 9.444 -7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.186 8.661 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.901 9.471 -7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.401 6.711 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.226 7.494 -6.928 1.00 0.00 H new ATOM 801 N GLN A 73 -6.791 5.534 -8.443 1.00 0.00 N ATOM 802 CA GLN A 73 -7.500 4.713 -9.409 1.00 0.00 C ATOM 803 C GLN A 73 -6.513 4.067 -10.383 1.00 0.00 C ATOM 804 O GLN A 73 -5.472 4.644 -10.690 1.00 0.00 O ATOM 805 CB GLN A 73 -8.553 5.532 -10.157 1.00 0.00 C ATOM 806 CG GLN A 73 -9.063 4.777 -11.387 1.00 0.00 C ATOM 807 CD GLN A 73 -8.266 5.161 -12.635 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.830 4.119 -13.340 1.00 0.00 O flip ATOM 809 NE2 GLN A 73 -8.060 6.324 -12.939 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.928 5.261 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.020 3.920 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.387 5.754 -9.491 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.126 6.487 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.985 3.703 -11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.119 4.999 -11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.423 7.076 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.524 6.544 -13.779 1.00 0.00 H new ATOM 816 N SER A 74 -6.875 2.879 -10.842 1.00 0.00 N ATOM 817 CA SER A 74 -6.034 2.148 -11.775 1.00 0.00 C ATOM 818 C SER A 74 -6.887 1.189 -12.609 1.00 0.00 C ATOM 819 O SER A 74 -8.056 0.965 -12.300 1.00 0.00 O ATOM 820 CB SER A 74 -4.936 1.377 -11.040 1.00 0.00 C ATOM 821 OG SER A 74 -4.503 2.057 -9.864 1.00 0.00 O ATOM 0 H SER A 74 -7.740 2.403 -10.585 1.00 0.00 H new ATOM 0 HA SER A 74 -5.554 2.868 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.305 0.387 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.087 1.230 -11.708 1.00 0.00 H new ATOM 0 HG SER A 74 -3.691 1.630 -9.519 1.00 0.00 H new ATOM 826 N ALA A 75 -6.269 0.651 -13.649 1.00 0.00 N ATOM 827 CA ALA A 75 -6.957 -0.278 -14.530 1.00 0.00 C ATOM 828 C ALA A 75 -6.859 -1.690 -13.951 1.00 0.00 C ATOM 829 O ALA A 75 -5.899 -2.015 -13.256 1.00 0.00 O ATOM 830 CB ALA A 75 -6.363 -0.182 -15.936 1.00 0.00 C ATOM 0 H ALA A 75 -5.299 0.840 -13.902 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.015 -0.025 -14.605 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.879 -0.879 -16.597 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.484 0.833 -16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.303 -0.432 -15.901 1.00 0.00 H new ATOM 836 N PRO A 76 -7.894 -2.514 -14.267 1.00 0.00 N ATOM 837 CA PRO A 76 -7.935 -3.885 -13.786 1.00 0.00 C ATOM 838 C PRO A 76 -6.952 -4.766 -14.558 1.00 0.00 C ATOM 839 O PRO A 76 -6.563 -4.435 -15.678 1.00 0.00 O ATOM 840 CB PRO A 76 -9.382 -4.318 -13.955 1.00 0.00 C ATOM 841 CG PRO A 76 -9.996 -3.345 -14.948 1.00 0.00 C ATOM 842 CD PRO A 76 -9.050 -2.163 -15.088 1.00 0.00 C ATOM 0 HA PRO A 76 -7.626 -3.975 -12.745 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.443 -5.342 -14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.912 -4.290 -13.003 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.148 -3.829 -15.913 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.974 -3.012 -14.601 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.764 -2.006 -16.128 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.516 -1.240 -14.742 1.00 0.00 H new ATOM 847 N GLY A 77 -6.579 -5.871 -13.931 1.00 0.00 N ATOM 848 CA GLY A 77 -5.649 -6.803 -14.545 1.00 0.00 C ATOM 849 C GLY A 77 -4.595 -6.062 -15.371 1.00 0.00 C ATOM 850 O GLY A 77 -4.297 -6.452 -16.499 1.00 0.00 O ATOM 0 H GLY A 77 -6.904 -6.142 -13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.160 -7.396 -13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.194 -7.498 -15.184 1.00 0.00 H new ATOM 854 N ALA A 78 -4.060 -5.006 -14.777 1.00 0.00 N ATOM 855 CA ALA A 78 -3.046 -4.206 -15.444 1.00 0.00 C ATOM 856 C ALA A 78 -1.722 -4.336 -14.687 1.00 0.00 C ATOM 857 O ALA A 78 -0.734 -3.697 -15.045 1.00 0.00 O ATOM 858 CB ALA A 78 -3.523 -2.755 -15.542 1.00 0.00 C ATOM 0 H ALA A 78 -4.309 -4.685 -13.841 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.881 -4.563 -16.460 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.763 -2.155 -16.042 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.451 -2.715 -16.113 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.696 -2.360 -14.541 1.00 0.00 H new ATOM 864 N LEU A 79 -1.746 -5.165 -13.655 1.00 0.00 N ATOM 865 CA LEU A 79 -0.560 -5.386 -12.844 1.00 0.00 C ATOM 866 C LEU A 79 0.168 -4.057 -12.642 1.00 0.00 C ATOM 867 O LEU A 79 1.035 -3.691 -13.435 1.00 0.00 O ATOM 868 CB LEU A 79 0.315 -6.479 -13.462 1.00 0.00 C ATOM 869 CG LEU A 79 0.119 -7.890 -12.903 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.723 -8.013 -11.503 1.00 0.00 C ATOM 871 CD2 LEU A 79 -1.358 -8.290 -12.928 1.00 0.00 C ATOM 0 H LEU A 79 -2.568 -5.692 -13.361 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.837 -5.752 -11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.126 -6.505 -14.535 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.360 -6.199 -13.329 1.00 0.00 H new ATOM 0 HG LEU A 79 0.652 -8.590 -13.546 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.570 -9.025 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.791 -7.800 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.239 -7.302 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.469 -9.297 -12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.935 -7.591 -12.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.724 -8.267 -13.955 1.00 0.00 H new ATOM 882 N VAL A 80 -0.208 -3.368 -11.574 1.00 0.00 N ATOM 883 CA VAL A 80 0.398 -2.087 -11.257 1.00 0.00 C ATOM 884 C VAL A 80 1.687 -2.319 -10.466 1.00 0.00 C ATOM 885 O VAL A 80 1.807 -1.881 -9.324 1.00 0.00 O ATOM 886 CB VAL A 80 -0.605 -1.201 -10.516 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.052 0.098 -10.045 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.829 -0.911 -11.387 1.00 0.00 C ATOM 0 H VAL A 80 -0.926 -3.674 -10.917 1.00 0.00 H new ATOM 0 HA VAL A 80 0.667 -1.557 -12.171 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.942 -1.745 -9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.684 0.709 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.876 -0.135 -9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.432 0.647 -10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.526 -0.279 -10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.515 -0.398 -12.296 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.319 -1.849 -11.650 1.00 0.00 H new ATOM 898 N GLU A 81 2.620 -3.009 -11.107 1.00 0.00 N ATOM 899 CA GLU A 81 3.896 -3.305 -10.478 1.00 0.00 C ATOM 900 C GLU A 81 4.805 -2.075 -10.517 1.00 0.00 C ATOM 901 O GLU A 81 4.519 -1.109 -11.223 1.00 0.00 O ATOM 902 CB GLU A 81 4.570 -4.506 -11.145 1.00 0.00 C ATOM 903 CG GLU A 81 4.989 -4.174 -12.578 1.00 0.00 C ATOM 904 CD GLU A 81 5.520 -5.417 -13.295 1.00 0.00 C ATOM 905 OE1 GLU A 81 4.716 -6.358 -13.471 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.717 -5.398 -13.654 1.00 0.00 O ATOM 0 H GLU A 81 2.517 -3.371 -12.055 1.00 0.00 H new ATOM 0 HA GLU A 81 3.714 -3.565 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.444 -4.804 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.886 -5.355 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.138 -3.770 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.757 -3.400 -12.566 1.00 0.00 H new ATOM 911 N ARG A 82 5.883 -2.151 -9.750 1.00 0.00 N ATOM 912 CA ARG A 82 6.836 -1.056 -9.688 1.00 0.00 C ATOM 913 C ARG A 82 8.151 -1.531 -9.067 1.00 0.00 C ATOM 914 O ARG A 82 8.551 -1.051 -8.008 1.00 0.00 O ATOM 915 CB ARG A 82 6.284 0.109 -8.864 1.00 0.00 C ATOM 916 CG ARG A 82 6.580 1.449 -9.542 1.00 0.00 C ATOM 917 CD ARG A 82 5.760 1.607 -10.824 1.00 0.00 C ATOM 918 NE ARG A 82 4.370 1.992 -10.492 1.00 0.00 N ATOM 919 CZ ARG A 82 3.967 3.255 -10.295 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.846 4.263 -10.396 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.686 3.511 -9.998 1.00 0.00 N ATOM 0 H ARG A 82 6.117 -2.954 -9.166 1.00 0.00 H new ATOM 0 HA ARG A 82 7.014 -0.714 -10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.208 -0.008 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.726 0.096 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.352 2.266 -8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.643 1.516 -9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.213 2.364 -11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.763 0.672 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 82 3.675 1.250 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.821 4.068 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.539 5.224 -10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.017 2.745 -9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.380 4.472 -9.848 1.00 0.00 H new ATOM 1166 N ALA A 99 7.453 -1.416 -5.250 1.00 0.00 N ATOM 1167 CA ALA A 99 6.430 -2.310 -4.736 1.00 0.00 C ATOM 1168 C ALA A 99 5.632 -2.891 -5.904 1.00 0.00 C ATOM 1169 O ALA A 99 5.840 -2.508 -7.054 1.00 0.00 O ATOM 1170 CB ALA A 99 5.544 -1.554 -3.743 1.00 0.00 C ATOM 0 HA ALA A 99 6.883 -3.144 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.776 -2.224 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.154 -1.187 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.070 -0.711 -4.246 1.00 0.00 H new ATOM 1176 N TYR A 100 4.734 -3.807 -5.568 1.00 0.00 N ATOM 1177 CA TYR A 100 3.904 -4.445 -6.577 1.00 0.00 C ATOM 1178 C TYR A 100 2.422 -4.348 -6.207 1.00 0.00 C ATOM 1179 O TYR A 100 2.033 -4.687 -5.090 1.00 0.00 O ATOM 1180 CB TYR A 100 4.317 -5.918 -6.593 1.00 0.00 C ATOM 1181 CG TYR A 100 5.534 -6.212 -7.473 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.747 -5.615 -7.195 1.00 0.00 C ATOM 1183 CD2 TYR A 100 5.419 -7.074 -8.544 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.892 -5.892 -8.023 1.00 0.00 C ATOM 1185 CE2 TYR A 100 6.564 -7.351 -9.372 1.00 0.00 C ATOM 1186 CZ TYR A 100 7.744 -6.747 -9.071 1.00 0.00 C ATOM 1187 OH TYR A 100 8.826 -7.009 -9.852 1.00 0.00 O ATOM 0 H TYR A 100 4.563 -4.122 -4.613 1.00 0.00 H new ATOM 0 HA TYR A 100 4.037 -3.963 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.533 -6.235 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.476 -6.517 -6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.837 -4.940 -6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.470 -7.541 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.847 -5.431 -7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.487 -8.024 -10.213 1.00 0.00 H new ATOM 0 HH TYR A 100 8.573 -7.637 -10.561 1.00 0.00 H new ATOM 1196 N ARG A 101 1.635 -3.883 -7.166 1.00 0.00 N ATOM 1197 CA ARG A 101 0.205 -3.737 -6.956 1.00 0.00 C ATOM 1198 C ARG A 101 -0.571 -4.454 -8.062 1.00 0.00 C ATOM 1199 O ARG A 101 -0.993 -3.829 -9.035 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.201 -2.262 -6.932 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.710 -1.856 -5.547 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.034 -1.096 -5.651 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.987 -1.597 -4.636 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.865 -1.380 -3.319 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -1.830 -0.669 -2.850 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.778 -1.874 -2.471 1.00 0.00 N ATOM 0 H ARG A 101 1.961 -3.602 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.035 -4.184 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.652 -1.642 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.977 -2.083 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.844 -2.744 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.034 -1.232 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.863 -0.029 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.455 -1.218 -6.649 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.787 -2.142 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.135 -0.293 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.737 -0.504 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.566 -2.415 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.685 -1.709 -1.469 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.733 -5.756 -7.879 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.451 -6.564 -8.850 1.00 0.00 C ATOM 1219 C GLU A 102 -2.950 -6.266 -8.786 1.00 0.00 C ATOM 1220 O GLU A 102 -3.485 -5.981 -7.716 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.178 -8.054 -8.632 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.042 -8.911 -9.560 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.569 -10.367 -9.559 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.540 -10.953 -8.454 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.248 -10.861 -10.661 1.00 0.00 O ATOM 0 H GLU A 102 -0.379 -6.271 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.092 -6.304 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.124 -8.265 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.382 -8.317 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.083 -8.863 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.000 -8.512 -10.573 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.586 -6.343 -9.946 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.013 -6.084 -10.035 1.00 0.00 C ATOM 1232 C CYS A 103 -5.674 -7.273 -10.736 1.00 0.00 C ATOM 1233 O CYS A 103 -5.094 -7.861 -11.648 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.306 -4.764 -10.751 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.114 -3.492 -9.715 1.00 0.00 S ATOM 0 H CYS A 103 -3.139 -6.581 -10.832 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.429 -5.977 -9.033 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.369 -4.359 -11.134 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.941 -4.968 -11.613 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.879 -7.590 -10.284 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.624 -8.698 -10.858 1.00 0.00 C ATOM 1241 C LEU A 104 -8.478 -8.185 -12.019 1.00 0.00 C ATOM 1242 O LEU A 104 -8.807 -7.002 -12.077 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.429 -9.419 -9.774 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.732 -10.601 -9.097 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.224 -10.775 -7.657 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.899 -11.881 -9.918 1.00 0.00 C ATOM 0 H LEU A 104 -7.357 -7.100 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.943 -9.444 -11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.699 -8.694 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.359 -9.776 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.664 -10.387 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.713 -11.622 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.011 -9.870 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.299 -10.957 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.394 -12.705 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.959 -12.113 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.463 -11.739 -10.907 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.812 -9.103 -12.916 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.621 -8.759 -14.073 1.00 0.00 C ATOM 1259 C GLU A 105 -11.088 -8.599 -13.666 1.00 0.00 C ATOM 1260 O GLU A 105 -11.941 -8.318 -14.505 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.470 -9.804 -15.178 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.976 -11.171 -14.714 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.061 -12.293 -15.208 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -7.834 -12.153 -15.010 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.607 -13.265 -15.772 1.00 0.00 O ATOM 0 H GLU A 105 -8.537 -10.084 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.268 -7.807 -14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.025 -9.487 -16.061 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.423 -9.880 -15.470 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.028 -11.193 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.988 -11.333 -15.085 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.335 -8.785 -12.378 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.683 -8.666 -11.849 1.00 0.00 C ATOM 1272 C ASN A 106 -12.892 -7.249 -11.313 1.00 0.00 C ATOM 1273 O ASN A 106 -13.973 -6.917 -10.829 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.913 -9.647 -10.699 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.366 -10.126 -10.668 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.200 -9.615 -9.938 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.621 -11.133 -11.499 1.00 0.00 N ATOM 0 H ASN A 106 -10.624 -9.017 -11.685 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.382 -8.888 -12.655 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.247 -10.503 -10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.664 -9.168 -9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.561 -11.524 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.876 -11.514 -12.083 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.839 -6.451 -11.414 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.893 -5.077 -10.945 1.00 0.00 C ATOM 1285 C GLY A 107 -11.684 -5.006 -9.430 1.00 0.00 C ATOM 1286 O GLY A 107 -12.529 -4.480 -8.706 1.00 0.00 O ATOM 0 H GLY A 107 -10.943 -6.730 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.128 -4.486 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.857 -4.638 -11.204 1.00 0.00 H new ATOM 1290 N THR A 108 -10.555 -5.544 -8.996 1.00 0.00 N ATOM 1291 CA THR A 108 -10.223 -5.549 -7.581 1.00 0.00 C ATOM 1292 C THR A 108 -8.708 -5.451 -7.387 1.00 0.00 C ATOM 1293 O THR A 108 -7.943 -5.672 -8.325 1.00 0.00 O ATOM 1294 CB THR A 108 -10.835 -6.805 -6.957 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.256 -7.878 -7.694 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.334 -6.927 -7.237 1.00 0.00 C ATOM 0 H THR A 108 -9.858 -5.980 -9.599 1.00 0.00 H new ATOM 0 HA THR A 108 -10.640 -4.679 -7.074 1.00 0.00 H new ATOM 0 HB THR A 108 -10.666 -6.793 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.598 -8.731 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.718 -7.835 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.853 -6.061 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.501 -6.972 -8.313 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.321 -5.120 -6.165 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.911 -4.990 -5.836 1.00 0.00 C ATOM 1306 C TRP A 109 -6.425 -6.336 -5.297 1.00 0.00 C ATOM 1307 O TRP A 109 -7.197 -7.290 -5.211 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.681 -3.836 -4.859 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.402 -2.492 -5.536 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.981 -1.309 -5.291 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.444 -2.241 -6.586 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.469 -0.318 -6.102 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.506 -0.903 -6.916 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.556 -3.116 -7.236 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.704 -0.319 -7.904 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.762 -2.517 -8.222 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.812 -1.171 -8.565 1.00 0.00 C ATOM 0 H TRP A 109 -8.959 -4.938 -5.390 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.329 -4.741 -6.723 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.558 -3.734 -4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.842 -4.085 -4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.752 -1.151 -4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.746 0.664 -6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.491 -4.167 -6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.770 0.732 -8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.062 -3.145 -8.753 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.165 -0.784 -9.338 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.148 -6.372 -4.947 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.550 -7.586 -4.419 1.00 0.00 C ATOM 1329 C ALA A 110 -4.471 -7.489 -2.894 1.00 0.00 C ATOM 1330 O ALA A 110 -5.250 -6.768 -2.274 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.177 -7.800 -5.061 1.00 0.00 C ATOM 0 H ALA A 110 -4.510 -5.579 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.163 -8.453 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.728 -8.711 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.291 -7.892 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.533 -6.950 -4.835 1.00 0.00 H new ATOM 1337 N SER A 111 -3.522 -8.226 -2.334 1.00 0.00 N ATOM 1338 CA SER A 111 -3.332 -8.232 -0.895 1.00 0.00 C ATOM 1339 C SER A 111 -2.817 -6.868 -0.429 1.00 0.00 C ATOM 1340 O SER A 111 -3.572 -6.072 0.128 1.00 0.00 O ATOM 1341 CB SER A 111 -2.363 -9.338 -0.471 1.00 0.00 C ATOM 1342 OG SER A 111 -2.900 -10.147 0.572 1.00 0.00 O ATOM 0 H SER A 111 -2.877 -8.823 -2.852 1.00 0.00 H new ATOM 0 HA SER A 111 -4.295 -8.430 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.129 -9.964 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.426 -8.891 -0.138 1.00 0.00 H new ATOM 0 HG SER A 111 -2.253 -10.842 0.813 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.535 -6.641 -0.673 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.909 -5.387 -0.286 1.00 0.00 C ATOM 1349 C ARG A 112 0.352 -5.145 -1.116 1.00 0.00 C ATOM 1350 O ARG A 112 1.075 -6.085 -1.442 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.541 -5.391 1.199 1.00 0.00 C ATOM 1352 CG ARG A 112 0.339 -6.594 1.542 1.00 0.00 C ATOM 1353 CD ARG A 112 -0.324 -7.473 2.605 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.322 -6.778 3.911 1.00 0.00 N ATOM 1355 CZ ARG A 112 -1.171 -7.054 4.910 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -2.096 -8.012 4.759 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -1.096 -6.372 6.061 1.00 0.00 N ATOM 0 H ARG A 112 -0.912 -7.304 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.627 -4.588 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.017 -4.469 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.449 -5.416 1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.524 -7.182 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.308 -6.249 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.347 -7.706 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.208 -8.421 2.688 1.00 0.00 H new ATOM 0 HE ARG A 112 0.369 -6.043 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.154 -8.531 3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.742 -8.222 5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.392 -5.643 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.742 -6.582 6.821 1.00 0.00 H new ATOM 1368 N VAL A 113 0.578 -3.880 -1.435 1.00 0.00 N ATOM 1369 CA VAL A 113 1.741 -3.501 -2.221 1.00 0.00 C ATOM 1370 C VAL A 113 2.946 -3.337 -1.295 1.00 0.00 C ATOM 1371 O VAL A 113 2.840 -2.718 -0.236 1.00 0.00 O ATOM 1372 CB VAL A 113 1.436 -2.242 -3.035 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.412 -1.003 -2.139 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.436 -2.072 -4.180 1.00 0.00 C ATOM 0 H VAL A 113 -0.025 -3.103 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 113 1.987 -4.283 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 113 0.444 -2.359 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.193 -0.122 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.643 -1.121 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.383 -0.882 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.196 -1.169 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.444 -1.989 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.382 -2.937 -4.842 1.00 0.00 H new