USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot -149:sc= -0.226 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -1.14! F(o=-1.9,f=-1.4!) USER MOD Set 2.1: A 50 GLN :FLIP amide:sc= -0.665 F(o=-1.5,f=0.21) USER MOD Set 2.2: A 56 THR OG1 : rot -115:sc= 0.872 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.01 K(o=0.098,f=-6.8!) USER MOD Set 3.2: A 59 THR OG1 : rot -120:sc= 1.11 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -3.22! C(o=-7.1!,f=-9.2!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -3.91! C(o=-7.1!,f=-13!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 70:sc= 0.946 USER MOD Single : A 61 GLN : amide:sc= -3.71! C(o=-3.7!,f=-6.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.078) USER MOD Single : A 85 THR OG1 : rot -34:sc= 0.0663 USER MOD Single : A 89 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -4.63! C(o=-4.6!,f=-5.2!) USER MOD Single : A 99 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.0082) USER MOD Single : A 104 LYS NZ :NH3+ 149:sc= -0.328 (180deg=-1.13!) USER MOD Single : A 105 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.028) USER MOD Single : A 107 CYS SG : rot -8:sc= -1.16 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= -0.0601 (180deg=-0.443) USER MOD Single : A 120 GLN : amide:sc= -2.73 X(o=-2.7,f=-2.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.239 -12.619 -12.578 1.00 0.00 N ATOM 607 CA ASP A 42 0.663 -12.161 -11.315 1.00 0.00 C ATOM 608 C ASP A 42 1.070 -10.721 -11.015 1.00 0.00 C ATOM 609 O ASP A 42 1.758 -10.451 -10.029 1.00 0.00 O ATOM 610 CB ASP A 42 1.097 -13.079 -10.171 1.00 0.00 C ATOM 611 CG ASP A 42 0.013 -13.256 -9.127 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.417 -12.240 -8.540 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.407 -14.408 -8.895 1.00 0.00 O ATOM 0 HA ASP A 42 -0.423 -12.196 -11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.371 -14.054 -10.575 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.989 -12.668 -9.698 1.00 0.00 H new ATOM 618 N TYR A 43 0.644 -9.802 -11.873 1.00 0.00 N ATOM 619 CA TYR A 43 0.967 -8.391 -11.702 1.00 0.00 C ATOM 620 C TYR A 43 0.326 -7.828 -10.438 1.00 0.00 C ATOM 621 O TYR A 43 -0.617 -8.403 -9.896 1.00 0.00 O ATOM 622 CB TYR A 43 0.507 -7.587 -12.919 1.00 0.00 C ATOM 623 CG TYR A 43 1.132 -8.030 -14.226 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.355 -8.692 -14.253 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.494 -7.783 -15.435 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.922 -9.092 -15.447 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.056 -8.181 -16.633 1.00 0.00 C ATOM 628 CZ TYR A 43 2.270 -8.834 -16.634 1.00 0.00 C ATOM 629 OH TYR A 43 2.832 -9.233 -17.824 1.00 0.00 O ATOM 0 H TYR A 43 0.074 -10.008 -12.694 1.00 0.00 H new ATOM 0 HA TYR A 43 2.049 -8.307 -11.605 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.577 -7.664 -13.003 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.741 -6.535 -12.755 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.869 -8.896 -13.326 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.457 -7.271 -15.439 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.872 -9.605 -15.451 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.547 -7.981 -17.564 1.00 0.00 H new ATOM 0 HH TYR A 43 2.245 -8.976 -18.565 1.00 0.00 H new ATOM 639 N ILE A 44 0.842 -6.691 -9.983 1.00 0.00 N ATOM 640 CA ILE A 44 0.325 -6.031 -8.792 1.00 0.00 C ATOM 641 C ILE A 44 -0.338 -4.709 -9.173 1.00 0.00 C ATOM 642 O ILE A 44 0.338 -3.727 -9.479 1.00 0.00 O ATOM 643 CB ILE A 44 1.447 -5.789 -7.749 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.787 -7.084 -6.992 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.046 -4.704 -6.758 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.572 -8.355 -7.790 1.00 0.00 C ATOM 0 H ILE A 44 1.623 -6.206 -10.425 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.418 -6.686 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 44 2.332 -5.459 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.829 -7.041 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.180 -7.131 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.850 -4.554 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.860 -3.773 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.140 -5.008 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.837 -9.218 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.525 -8.427 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.199 -8.336 -8.681 1.00 0.00 H new ATOM 658 N HIS A 45 -1.665 -4.705 -9.164 1.00 0.00 N ATOM 659 CA HIS A 45 -2.438 -3.520 -9.522 1.00 0.00 C ATOM 660 C HIS A 45 -2.289 -2.409 -8.489 1.00 0.00 C ATOM 661 O HIS A 45 -2.147 -2.663 -7.295 1.00 0.00 O ATOM 662 CB HIS A 45 -3.914 -3.889 -9.670 1.00 0.00 C ATOM 663 CG HIS A 45 -4.442 -3.735 -11.060 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.024 -4.516 -12.117 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.368 -2.886 -11.564 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.670 -4.153 -13.212 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.491 -3.167 -12.902 1.00 0.00 N ATOM 0 H HIS A 45 -2.232 -5.514 -8.911 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.050 -3.148 -10.470 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.053 -4.922 -9.352 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.503 -3.266 -8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.909 -2.129 -11.016 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.547 -4.589 -14.193 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.116 -2.691 -13.552 1.00 0.00 H new ATOM 676 N ILE A 46 -2.347 -1.176 -8.974 1.00 0.00 N ATOM 677 CA ILE A 46 -2.245 0.010 -8.133 1.00 0.00 C ATOM 678 C ILE A 46 -3.112 1.115 -8.725 1.00 0.00 C ATOM 679 O ILE A 46 -2.776 1.689 -9.759 1.00 0.00 O ATOM 680 CB ILE A 46 -0.786 0.494 -8.007 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.059 -0.318 -6.942 1.00 0.00 C ATOM 682 CG2 ILE A 46 -0.734 1.974 -7.662 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.444 -1.652 -7.434 1.00 0.00 C ATOM 0 H ILE A 46 -2.467 -0.969 -9.966 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.593 -0.245 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.291 0.350 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.784 0.263 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.732 -0.482 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.305 2.292 -7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.227 2.548 -8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.243 2.145 -6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.950 -2.172 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.397 -2.252 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.143 -1.497 -8.256 1.00 0.00 H new ATOM 695 N ARG A 47 -4.240 1.392 -8.086 1.00 0.00 N ATOM 696 CA ARG A 47 -5.155 2.409 -8.587 1.00 0.00 C ATOM 697 C ARG A 47 -5.725 3.276 -7.471 1.00 0.00 C ATOM 698 O ARG A 47 -6.313 2.774 -6.512 1.00 0.00 O ATOM 699 CB ARG A 47 -6.299 1.743 -9.352 1.00 0.00 C ATOM 700 CG ARG A 47 -7.131 2.714 -10.175 1.00 0.00 C ATOM 701 CD ARG A 47 -8.290 2.010 -10.861 1.00 0.00 C ATOM 702 NE ARG A 47 -9.425 1.819 -9.961 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.246 2.796 -9.585 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.062 4.034 -10.026 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.254 2.536 -8.764 1.00 0.00 N ATOM 0 H ARG A 47 -4.542 0.932 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.585 3.060 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.887 0.981 -10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.950 1.232 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.514 3.504 -9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.500 3.192 -10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.607 2.593 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.956 1.042 -11.234 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.598 0.881 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.288 4.241 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.695 4.779 -9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.400 1.587 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.883 3.285 -8.476 1.00 0.00 H new ATOM 719 N ILE A 48 -5.561 4.585 -7.621 1.00 0.00 N ATOM 720 CA ILE A 48 -6.073 5.546 -6.650 1.00 0.00 C ATOM 721 C ILE A 48 -7.599 5.486 -6.586 1.00 0.00 C ATOM 722 O ILE A 48 -8.252 5.043 -7.531 1.00 0.00 O ATOM 723 CB ILE A 48 -5.655 6.989 -7.022 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.190 7.250 -6.680 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.536 8.018 -6.326 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.733 8.622 -7.119 1.00 0.00 C ATOM 0 H ILE A 48 -5.074 5.008 -8.411 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.650 5.283 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.785 7.089 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.047 7.149 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.568 6.493 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.216 9.021 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.574 7.870 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.449 7.900 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.685 8.759 -6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.849 8.716 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.335 9.382 -6.622 1.00 0.00 H new ATOM 738 N GLN A 49 -8.159 5.964 -5.479 1.00 0.00 N ATOM 739 CA GLN A 49 -9.604 5.997 -5.311 1.00 0.00 C ATOM 740 C GLN A 49 -10.006 7.138 -4.376 1.00 0.00 C ATOM 741 O GLN A 49 -10.324 6.921 -3.206 1.00 0.00 O ATOM 742 CB GLN A 49 -10.127 4.653 -4.788 1.00 0.00 C ATOM 743 CG GLN A 49 -9.745 4.355 -3.347 1.00 0.00 C ATOM 744 CD GLN A 49 -9.560 2.872 -3.089 1.00 0.00 C ATOM 745 OE1 GLN A 49 -9.138 2.125 -3.973 1.00 0.00 O ATOM 746 NE2 GLN A 49 -9.875 2.439 -1.875 1.00 0.00 N ATOM 0 H GLN A 49 -7.633 6.333 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.057 6.175 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.213 4.640 -4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.747 3.855 -5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.822 4.881 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.517 4.742 -2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.221 3.094 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.771 1.451 -1.643 1.00 0.00 H new ATOM 755 N GLN A 50 -9.982 8.358 -4.905 1.00 0.00 N ATOM 756 CA GLN A 50 -10.337 9.540 -4.127 1.00 0.00 C ATOM 757 C GLN A 50 -11.850 9.641 -3.955 1.00 0.00 C ATOM 758 O GLN A 50 -12.554 10.121 -4.843 1.00 0.00 O ATOM 759 CB GLN A 50 -9.794 10.804 -4.806 1.00 0.00 C ATOM 760 CG GLN A 50 -8.998 11.709 -3.876 1.00 0.00 C ATOM 761 CD GLN A 50 -8.095 12.665 -4.627 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.151 13.267 -3.912 1.00 0.00 O flip ATOM 763 NE2 GLN A 50 -8.242 12.861 -5.833 1.00 0.00 N flip ATOM 0 H GLN A 50 -9.720 8.554 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.886 9.449 -3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.160 10.511 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.629 11.369 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.687 12.279 -3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.395 11.096 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.981 12.376 -6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.625 13.508 -6.323 1.00 0.00 H new ATOM 772 N ARG A 51 -12.341 9.188 -2.805 1.00 0.00 N ATOM 773 CA ARG A 51 -13.772 9.227 -2.514 1.00 0.00 C ATOM 774 C ARG A 51 -14.307 10.650 -2.641 1.00 0.00 C ATOM 775 O ARG A 51 -15.409 10.871 -3.141 1.00 0.00 O ATOM 776 CB ARG A 51 -14.044 8.691 -1.108 1.00 0.00 C ATOM 777 CG ARG A 51 -14.100 7.173 -1.036 1.00 0.00 C ATOM 778 CD ARG A 51 -13.735 6.669 0.351 1.00 0.00 C ATOM 779 NE ARG A 51 -14.458 7.383 1.402 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.177 7.276 2.699 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.194 6.483 3.109 1.00 0.00 N ATOM 782 NH2 ARG A 51 -14.881 7.961 3.589 1.00 0.00 N ATOM 0 H ARG A 51 -11.770 8.790 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.285 8.595 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.266 9.050 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.989 9.099 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.102 6.832 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.417 6.747 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.955 5.604 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.662 6.783 0.507 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.222 7.999 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.650 5.952 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.983 6.405 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.638 8.570 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.665 7.879 4.583 1.00 0.00 H new ATOM 796 N ASN A 52 -13.508 11.609 -2.187 1.00 0.00 N ATOM 797 CA ASN A 52 -13.883 13.015 -2.248 1.00 0.00 C ATOM 798 C ASN A 52 -12.803 13.815 -2.975 1.00 0.00 C ATOM 799 O ASN A 52 -12.086 13.273 -3.817 1.00 0.00 O ATOM 800 CB ASN A 52 -14.100 13.562 -0.834 1.00 0.00 C ATOM 801 CG ASN A 52 -15.249 14.548 -0.766 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.156 14.522 -1.598 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.216 15.427 0.230 1.00 0.00 N ATOM 0 H ASN A 52 -12.593 11.436 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.816 13.111 -2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.295 12.734 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.187 14.048 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.962 16.116 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.445 15.413 0.897 1.00 0.00 H new ATOM 810 N GLY A 53 -12.680 15.100 -2.650 1.00 0.00 N ATOM 811 CA GLY A 53 -11.675 15.927 -3.288 1.00 0.00 C ATOM 812 C GLY A 53 -10.352 15.909 -2.548 1.00 0.00 C ATOM 813 O GLY A 53 -9.678 16.935 -2.446 1.00 0.00 O ATOM 0 H GLY A 53 -13.257 15.580 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.520 15.581 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.039 16.953 -3.350 1.00 0.00 H new ATOM 817 N ARG A 54 -9.974 14.740 -2.032 1.00 0.00 N ATOM 818 CA ARG A 54 -8.717 14.594 -1.301 1.00 0.00 C ATOM 819 C ARG A 54 -8.621 13.228 -0.624 1.00 0.00 C ATOM 820 O ARG A 54 -7.522 12.722 -0.396 1.00 0.00 O ATOM 821 CB ARG A 54 -8.567 15.702 -0.255 1.00 0.00 C ATOM 822 CG ARG A 54 -9.845 15.994 0.515 1.00 0.00 C ATOM 823 CD ARG A 54 -9.548 16.627 1.864 1.00 0.00 C ATOM 824 NE ARG A 54 -8.901 17.930 1.728 1.00 0.00 N ATOM 825 CZ ARG A 54 -8.770 18.801 2.725 1.00 0.00 C ATOM 826 NH1 ARG A 54 -9.240 18.513 3.933 1.00 0.00 N ATOM 827 NH2 ARG A 54 -8.168 19.964 2.516 1.00 0.00 N ATOM 0 H ARG A 54 -10.520 13.882 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.907 14.676 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.785 15.420 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.236 16.615 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.479 16.660 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.403 15.069 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.477 16.740 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.906 15.962 2.443 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.528 18.187 0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.704 17.620 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.137 19.184 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.805 20.191 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.068 20.631 3.281 1.00 0.00 H new ATOM 841 N LYS A 55 -9.768 12.633 -0.302 1.00 0.00 N ATOM 842 CA LYS A 55 -9.794 11.325 0.348 1.00 0.00 C ATOM 843 C LYS A 55 -9.303 10.237 -0.605 1.00 0.00 C ATOM 844 O LYS A 55 -10.060 9.348 -0.996 1.00 0.00 O ATOM 845 CB LYS A 55 -11.209 11.001 0.832 1.00 0.00 C ATOM 846 CG LYS A 55 -11.773 12.031 1.798 1.00 0.00 C ATOM 847 CD LYS A 55 -10.930 12.133 3.060 1.00 0.00 C ATOM 848 CE LYS A 55 -10.076 13.391 3.062 1.00 0.00 C ATOM 849 NZ LYS A 55 -8.772 13.178 3.747 1.00 0.00 N ATOM 0 H LYS A 55 -10.689 13.035 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.125 11.358 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.870 10.924 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.203 10.025 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.817 13.004 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.795 11.761 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.581 12.133 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.288 11.256 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.898 13.710 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.618 14.197 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.221 14.060 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.940 12.898 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.243 12.427 3.260 1.00 0.00 H new ATOM 863 N THR A 56 -8.030 10.324 -0.975 1.00 0.00 N ATOM 864 CA THR A 56 -7.417 9.367 -1.886 1.00 0.00 C ATOM 865 C THR A 56 -7.016 8.091 -1.152 1.00 0.00 C ATOM 866 O THR A 56 -6.395 8.145 -0.091 1.00 0.00 O ATOM 867 CB THR A 56 -6.195 10.009 -2.547 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.134 11.394 -2.254 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.176 9.863 -4.051 1.00 0.00 C ATOM 0 H THR A 56 -7.397 11.057 -0.653 1.00 0.00 H new ATOM 0 HA THR A 56 -8.144 9.095 -2.651 1.00 0.00 H new ATOM 0 HB THR A 56 -5.338 9.476 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.251 11.909 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.282 10.341 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.170 8.805 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.062 10.337 -4.474 1.00 0.00 H new ATOM 877 N LEU A 57 -7.378 6.944 -1.720 1.00 0.00 N ATOM 878 CA LEU A 57 -7.056 5.658 -1.108 1.00 0.00 C ATOM 879 C LEU A 57 -6.407 4.707 -2.116 1.00 0.00 C ATOM 880 O LEU A 57 -7.045 3.773 -2.599 1.00 0.00 O ATOM 881 CB LEU A 57 -8.321 5.019 -0.532 1.00 0.00 C ATOM 882 CG LEU A 57 -8.614 5.369 0.928 1.00 0.00 C ATOM 883 CD1 LEU A 57 -10.036 4.976 1.297 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.615 4.687 1.849 1.00 0.00 C ATOM 0 H LEU A 57 -7.892 6.878 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.342 5.839 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.173 5.322 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.236 3.936 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.514 6.448 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.226 5.233 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.739 5.511 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.164 3.902 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.838 4.947 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.683 3.606 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.607 5.018 1.601 1.00 0.00 H new ATOM 896 N THR A 58 -5.137 4.943 -2.425 1.00 0.00 N ATOM 897 CA THR A 58 -4.413 4.098 -3.373 1.00 0.00 C ATOM 898 C THR A 58 -4.398 2.644 -2.904 1.00 0.00 C ATOM 899 O THR A 58 -3.792 2.320 -1.883 1.00 0.00 O ATOM 900 CB THR A 58 -2.982 4.605 -3.552 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.979 5.948 -4.003 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.175 3.789 -4.539 1.00 0.00 C ATOM 0 H THR A 58 -4.587 5.709 -2.036 1.00 0.00 H new ATOM 0 HA THR A 58 -4.929 4.146 -4.332 1.00 0.00 H new ATOM 0 HB THR A 58 -2.520 4.516 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.285 6.536 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.170 4.203 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.116 2.756 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.657 3.819 -5.516 1.00 0.00 H new ATOM 910 N THR A 59 -5.069 1.773 -3.654 1.00 0.00 N ATOM 911 CA THR A 59 -5.130 0.357 -3.304 1.00 0.00 C ATOM 912 C THR A 59 -4.088 -0.453 -4.070 1.00 0.00 C ATOM 913 O THR A 59 -3.447 0.051 -4.993 1.00 0.00 O ATOM 914 CB THR A 59 -6.525 -0.210 -3.581 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.232 0.617 -4.488 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.371 -0.354 -2.336 1.00 0.00 C ATOM 0 H THR A 59 -5.576 2.021 -4.504 1.00 0.00 H new ATOM 0 HA THR A 59 -4.915 0.278 -2.238 1.00 0.00 H new ATOM 0 HB THR A 59 -6.355 -1.201 -4.001 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.055 0.939 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.346 -0.761 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.877 -1.028 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.501 0.622 -1.869 1.00 0.00 H new ATOM 924 N VAL A 60 -3.934 -1.715 -3.681 1.00 0.00 N ATOM 925 CA VAL A 60 -2.979 -2.608 -4.329 1.00 0.00 C ATOM 926 C VAL A 60 -3.587 -3.990 -4.556 1.00 0.00 C ATOM 927 O VAL A 60 -3.880 -4.714 -3.604 1.00 0.00 O ATOM 928 CB VAL A 60 -1.686 -2.742 -3.497 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.758 -3.798 -4.089 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.982 -1.398 -3.409 1.00 0.00 C ATOM 0 H VAL A 60 -4.459 -2.143 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.730 -2.168 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.956 -3.065 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.145 -3.871 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.265 -4.763 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.489 -3.516 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.071 -1.502 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.729 -1.054 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.641 -0.673 -2.932 1.00 0.00 H new ATOM 940 N GLN A 61 -3.769 -4.346 -5.825 1.00 0.00 N ATOM 941 CA GLN A 61 -4.340 -5.639 -6.189 1.00 0.00 C ATOM 942 C GLN A 61 -3.245 -6.611 -6.619 1.00 0.00 C ATOM 943 O GLN A 61 -3.080 -6.894 -7.806 1.00 0.00 O ATOM 944 CB GLN A 61 -5.361 -5.472 -7.316 1.00 0.00 C ATOM 945 CG GLN A 61 -6.799 -5.681 -6.874 1.00 0.00 C ATOM 946 CD GLN A 61 -7.603 -4.395 -6.891 1.00 0.00 C ATOM 947 OE1 GLN A 61 -8.764 -4.381 -7.296 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.980 -3.307 -6.454 1.00 0.00 N ATOM 0 H GLN A 61 -3.528 -3.755 -6.621 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.843 -6.047 -5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.262 -4.472 -7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.129 -6.179 -8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.274 -6.412 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.810 -6.099 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.016 -3.368 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.466 -2.410 -6.445 1.00 0.00 H new ATOM 957 N GLY A 62 -2.497 -7.118 -5.646 1.00 0.00 N ATOM 958 CA GLY A 62 -1.428 -8.051 -5.947 1.00 0.00 C ATOM 959 C GLY A 62 -0.752 -8.584 -4.701 1.00 0.00 C ATOM 960 O GLY A 62 -0.664 -9.797 -4.504 1.00 0.00 O ATOM 0 H GLY A 62 -2.611 -6.900 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.830 -8.885 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.686 -7.558 -6.575 1.00 0.00 H new ATOM 964 N ILE A 63 -0.273 -7.678 -3.855 1.00 0.00 N ATOM 965 CA ILE A 63 0.398 -8.064 -2.618 1.00 0.00 C ATOM 966 C ILE A 63 -0.490 -8.985 -1.785 1.00 0.00 C ATOM 967 O ILE A 63 -1.718 -8.894 -1.831 1.00 0.00 O ATOM 968 CB ILE A 63 0.805 -6.815 -1.793 1.00 0.00 C ATOM 969 CG1 ILE A 63 2.143 -6.245 -2.291 1.00 0.00 C ATOM 970 CG2 ILE A 63 0.892 -7.132 -0.305 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.440 -6.528 -3.748 1.00 0.00 C ATOM 0 H ILE A 63 -0.337 -6.671 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 63 1.305 -8.607 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 63 0.028 -6.064 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.145 -5.166 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.948 -6.656 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.179 -6.234 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.078 -7.479 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.637 -7.910 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.402 -6.090 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.474 -7.605 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.658 -6.092 -4.370 1.00 0.00 H new ATOM 983 N ALA A 64 0.143 -9.874 -1.033 1.00 0.00 N ATOM 984 CA ALA A 64 -0.576 -10.823 -0.193 1.00 0.00 C ATOM 985 C ALA A 64 -0.558 -10.395 1.270 1.00 0.00 C ATOM 986 O ALA A 64 0.256 -9.566 1.675 1.00 0.00 O ATOM 987 CB ALA A 64 0.027 -12.211 -0.341 1.00 0.00 C ATOM 0 H ALA A 64 1.158 -9.958 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.615 -10.845 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.517 -12.913 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.043 -12.529 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.074 -12.187 -0.039 1.00 0.00 H new ATOM 993 N ASP A 65 -1.459 -10.972 2.058 1.00 0.00 N ATOM 994 CA ASP A 65 -1.546 -10.658 3.479 1.00 0.00 C ATOM 995 C ASP A 65 -0.378 -11.272 4.248 1.00 0.00 C ATOM 996 O ASP A 65 -0.155 -10.948 5.416 1.00 0.00 O ATOM 997 CB ASP A 65 -2.872 -11.162 4.053 1.00 0.00 C ATOM 998 CG ASP A 65 -3.066 -10.755 5.501 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.809 -9.576 5.826 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.478 -11.614 6.309 1.00 0.00 O ATOM 0 H ASP A 65 -2.140 -11.660 1.736 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.498 -9.575 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.696 -10.772 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.909 -12.249 3.976 1.00 0.00 H new ATOM 1005 N ASP A 66 0.369 -12.157 3.589 1.00 0.00 N ATOM 1006 CA ASP A 66 1.512 -12.809 4.215 1.00 0.00 C ATOM 1007 C ASP A 66 2.808 -12.069 3.891 1.00 0.00 C ATOM 1008 O ASP A 66 3.886 -12.664 3.871 1.00 0.00 O ATOM 1009 CB ASP A 66 1.613 -14.264 3.751 1.00 0.00 C ATOM 1010 CG ASP A 66 1.929 -15.214 4.890 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.446 -14.747 5.926 1.00 0.00 O ATOM 1012 OD2 ASP A 66 1.661 -16.426 4.744 1.00 0.00 O ATOM 0 H ASP A 66 0.201 -12.437 2.623 1.00 0.00 H new ATOM 0 HA ASP A 66 1.363 -12.788 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.673 -14.560 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.387 -14.346 2.988 1.00 0.00 H new ATOM 1017 N TYR A 67 2.696 -10.767 3.643 1.00 0.00 N ATOM 1018 CA TYR A 67 3.857 -9.944 3.325 1.00 0.00 C ATOM 1019 C TYR A 67 4.388 -9.255 4.578 1.00 0.00 C ATOM 1020 O TYR A 67 4.825 -8.105 4.526 1.00 0.00 O ATOM 1021 CB TYR A 67 3.489 -8.896 2.272 1.00 0.00 C ATOM 1022 CG TYR A 67 3.514 -9.408 0.848 1.00 0.00 C ATOM 1023 CD1 TYR A 67 3.367 -10.762 0.562 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.682 -8.531 -0.213 1.00 0.00 C ATOM 1025 CE1 TYR A 67 3.389 -11.221 -0.742 1.00 0.00 C ATOM 1026 CE2 TYR A 67 3.705 -8.980 -1.518 1.00 0.00 C ATOM 1027 CZ TYR A 67 3.557 -10.326 -1.778 1.00 0.00 C ATOM 1028 OH TYR A 67 3.578 -10.779 -3.077 1.00 0.00 O ATOM 0 H TYR A 67 1.811 -10.259 3.656 1.00 0.00 H new ATOM 0 HA TYR A 67 4.637 -10.592 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.492 -8.513 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.179 -8.056 2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.234 -11.465 1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.797 -7.476 -0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.275 -12.275 -0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.838 -8.281 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 67 3.704 -10.021 -3.686 1.00 0.00 H new ATOM 1038 N ASP A 68 4.341 -9.967 5.706 1.00 0.00 N ATOM 1039 CA ASP A 68 4.812 -9.440 6.987 1.00 0.00 C ATOM 1040 C ASP A 68 3.760 -8.550 7.653 1.00 0.00 C ATOM 1041 O ASP A 68 3.846 -8.270 8.849 1.00 0.00 O ATOM 1042 CB ASP A 68 6.116 -8.664 6.802 1.00 0.00 C ATOM 1043 CG ASP A 68 7.024 -8.757 8.012 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.550 -8.475 9.133 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.209 -9.112 7.839 1.00 0.00 O ATOM 0 H ASP A 68 3.978 -10.919 5.757 1.00 0.00 H new ATOM 0 HA ASP A 68 4.995 -10.291 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.642 -9.047 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.887 -7.617 6.603 1.00 0.00 H new ATOM 1050 N LYS A 69 2.767 -8.111 6.880 1.00 0.00 N ATOM 1051 CA LYS A 69 1.704 -7.257 7.402 1.00 0.00 C ATOM 1052 C LYS A 69 2.255 -5.906 7.849 1.00 0.00 C ATOM 1053 O LYS A 69 2.060 -4.894 7.176 1.00 0.00 O ATOM 1054 CB LYS A 69 0.987 -7.946 8.567 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.218 -7.173 9.082 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.215 -7.077 10.600 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.548 -6.572 11.131 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.371 -5.575 12.224 1.00 0.00 N ATOM 0 H LYS A 69 2.678 -8.334 5.889 1.00 0.00 H new ATOM 0 HA LYS A 69 0.987 -7.085 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.664 -8.937 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.694 -8.088 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.218 -6.171 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.134 -7.662 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.000 -8.057 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.583 -6.407 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.115 -6.121 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.134 -7.414 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.303 -5.256 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.852 -6.012 13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.834 -4.759 11.866 1.00 0.00 H new ATOM 1072 N LYS A 70 2.947 -5.895 8.983 1.00 0.00 N ATOM 1073 CA LYS A 70 3.527 -4.666 9.510 1.00 0.00 C ATOM 1074 C LYS A 70 4.529 -4.077 8.524 1.00 0.00 C ATOM 1075 O LYS A 70 4.291 -3.023 7.936 1.00 0.00 O ATOM 1076 CB LYS A 70 4.211 -4.933 10.853 1.00 0.00 C ATOM 1077 CG LYS A 70 3.303 -5.596 11.876 1.00 0.00 C ATOM 1078 CD LYS A 70 4.035 -6.678 12.656 1.00 0.00 C ATOM 1079 CE LYS A 70 3.738 -8.064 12.104 1.00 0.00 C ATOM 1080 NZ LYS A 70 3.030 -8.917 13.098 1.00 0.00 N ATOM 0 H LYS A 70 3.120 -6.722 9.554 1.00 0.00 H new ATOM 0 HA LYS A 70 2.722 -3.947 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.082 -5.567 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.575 -3.990 11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.922 -4.844 12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.441 -6.031 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.108 -6.492 12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.742 -6.633 13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.130 -7.974 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.671 -8.546 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.846 -9.853 12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.621 -9.024 13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.128 -8.470 13.359 1.00 0.00 H new ATOM 1094 N LYS A 71 5.647 -4.771 8.337 1.00 0.00 N ATOM 1095 CA LYS A 71 6.685 -4.319 7.413 1.00 0.00 C ATOM 1096 C LYS A 71 6.090 -3.934 6.059 1.00 0.00 C ATOM 1097 O LYS A 71 6.671 -3.142 5.318 1.00 0.00 O ATOM 1098 CB LYS A 71 7.740 -5.414 7.230 1.00 0.00 C ATOM 1099 CG LYS A 71 9.166 -4.925 7.434 1.00 0.00 C ATOM 1100 CD LYS A 71 10.134 -6.085 7.599 1.00 0.00 C ATOM 1101 CE LYS A 71 10.360 -6.418 9.066 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.185 -7.646 9.235 1.00 0.00 N ATOM 0 H LYS A 71 5.859 -5.648 8.812 1.00 0.00 H new ATOM 0 HA LYS A 71 7.156 -3.434 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.538 -6.223 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.648 -5.832 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.468 -4.316 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.210 -4.285 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.744 -6.962 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.086 -5.835 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.853 -5.579 9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.398 -6.556 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.316 -7.839 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.703 -8.452 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.113 -7.505 8.786 1.00 0.00 H new ATOM 1116 N LEU A 72 4.932 -4.503 5.741 1.00 0.00 N ATOM 1117 CA LEU A 72 4.262 -4.224 4.478 1.00 0.00 C ATOM 1118 C LEU A 72 3.733 -2.789 4.431 1.00 0.00 C ATOM 1119 O LEU A 72 4.317 -1.927 3.777 1.00 0.00 O ATOM 1120 CB LEU A 72 3.116 -5.219 4.258 1.00 0.00 C ATOM 1121 CG LEU A 72 2.692 -5.433 2.800 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.316 -6.078 2.741 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.698 -4.116 2.033 1.00 0.00 C ATOM 0 H LEU A 72 4.438 -5.162 6.343 1.00 0.00 H new ATOM 0 HA LEU A 72 4.993 -4.337 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.410 -6.182 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.249 -4.877 4.823 1.00 0.00 H new ATOM 0 HG LEU A 72 3.412 -6.102 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.027 -6.224 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.344 -7.042 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.589 -5.430 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.394 -4.294 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.003 -3.419 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.702 -3.691 2.047 1.00 0.00 H new ATOM 1135 N VAL A 73 2.617 -2.541 5.112 1.00 0.00 N ATOM 1136 CA VAL A 73 2.011 -1.214 5.122 1.00 0.00 C ATOM 1137 C VAL A 73 2.610 -0.321 6.208 1.00 0.00 C ATOM 1138 O VAL A 73 2.843 0.867 5.984 1.00 0.00 O ATOM 1139 CB VAL A 73 0.480 -1.304 5.308 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.117 -1.600 6.757 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.193 -0.027 4.829 1.00 0.00 C ATOM 0 H VAL A 73 2.116 -3.239 5.662 1.00 0.00 H new ATOM 0 HA VAL A 73 2.227 -0.763 4.153 1.00 0.00 H new ATOM 0 HB VAL A 73 0.115 -2.132 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.967 -1.657 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.560 -2.550 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.498 -0.805 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.271 -0.110 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.183 0.820 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.026 0.125 3.772 1.00 0.00 H new ATOM 1151 N LYS A 74 2.856 -0.894 7.382 1.00 0.00 N ATOM 1152 CA LYS A 74 3.425 -0.139 8.496 1.00 0.00 C ATOM 1153 C LYS A 74 4.695 0.594 8.071 1.00 0.00 C ATOM 1154 O LYS A 74 4.905 1.752 8.433 1.00 0.00 O ATOM 1155 CB LYS A 74 3.735 -1.071 9.668 1.00 0.00 C ATOM 1156 CG LYS A 74 3.735 -0.373 11.020 1.00 0.00 C ATOM 1157 CD LYS A 74 5.144 -0.221 11.571 1.00 0.00 C ATOM 1158 CE LYS A 74 5.286 1.050 12.392 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.255 0.884 13.510 1.00 0.00 N ATOM 0 H LYS A 74 2.671 -1.876 7.588 1.00 0.00 H new ATOM 0 HA LYS A 74 2.687 0.600 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.001 -1.876 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.710 -1.532 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.274 0.610 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.128 -0.942 11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.389 -1.084 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.858 -0.206 10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.613 1.865 11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.313 1.333 12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.323 1.773 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.930 0.124 14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.190 0.639 13.126 1.00 0.00 H new ATOM 1173 N ALA A 75 5.536 -0.086 7.301 1.00 0.00 N ATOM 1174 CA ALA A 75 6.782 0.504 6.828 1.00 0.00 C ATOM 1175 C ALA A 75 6.506 1.686 5.905 1.00 0.00 C ATOM 1176 O ALA A 75 7.285 2.637 5.849 1.00 0.00 O ATOM 1177 CB ALA A 75 7.629 -0.540 6.117 1.00 0.00 C ATOM 0 H ALA A 75 5.378 -1.045 6.991 1.00 0.00 H new ATOM 0 HA ALA A 75 7.336 0.869 7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.556 -0.082 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.861 -1.351 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.078 -0.936 5.264 1.00 0.00 H new ATOM 1183 N PHE A 76 5.385 1.625 5.192 1.00 0.00 N ATOM 1184 CA PHE A 76 4.997 2.697 4.281 1.00 0.00 C ATOM 1185 C PHE A 76 4.977 4.036 5.011 1.00 0.00 C ATOM 1186 O PHE A 76 5.505 5.034 4.521 1.00 0.00 O ATOM 1187 CB PHE A 76 3.617 2.411 3.686 1.00 0.00 C ATOM 1188 CG PHE A 76 3.408 3.039 2.339 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.958 2.466 1.206 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.667 4.204 2.208 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.773 3.040 -0.034 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.479 4.784 0.968 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.034 4.201 -0.155 1.00 0.00 C ATOM 0 H PHE A 76 4.729 0.844 5.228 1.00 0.00 H new ATOM 0 HA PHE A 76 5.730 2.746 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.482 1.333 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.851 2.775 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.538 1.559 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.233 4.663 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.206 2.582 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.900 5.691 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.890 4.652 -1.126 1.00 0.00 H new ATOM 1203 N LYS A 77 4.366 4.044 6.191 1.00 0.00 N ATOM 1204 CA LYS A 77 4.278 5.251 7.002 1.00 0.00 C ATOM 1205 C LYS A 77 5.657 5.686 7.493 1.00 0.00 C ATOM 1206 O LYS A 77 5.832 6.812 7.955 1.00 0.00 O ATOM 1207 CB LYS A 77 3.354 5.009 8.194 1.00 0.00 C ATOM 1208 CG LYS A 77 2.014 4.401 7.814 1.00 0.00 C ATOM 1209 CD LYS A 77 1.668 3.209 8.696 1.00 0.00 C ATOM 1210 CE LYS A 77 0.219 3.253 9.153 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.097 2.148 10.100 1.00 0.00 N ATOM 0 H LYS A 77 3.923 3.225 6.607 1.00 0.00 H new ATOM 0 HA LYS A 77 3.870 6.049 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.855 4.349 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.181 5.955 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.233 5.157 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.039 4.087 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.849 2.285 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.324 3.197 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.018 4.211 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.438 3.187 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.094 2.213 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.070 1.233 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.512 2.225 10.940 1.00 0.00 H new ATOM 1225 N LYS A 78 6.633 4.789 7.394 1.00 0.00 N ATOM 1226 CA LYS A 78 7.991 5.090 7.832 1.00 0.00 C ATOM 1227 C LYS A 78 8.871 5.511 6.657 1.00 0.00 C ATOM 1228 O LYS A 78 9.906 6.149 6.845 1.00 0.00 O ATOM 1229 CB LYS A 78 8.603 3.872 8.526 1.00 0.00 C ATOM 1230 CG LYS A 78 9.670 4.227 9.548 1.00 0.00 C ATOM 1231 CD LYS A 78 9.964 3.057 10.473 1.00 0.00 C ATOM 1232 CE LYS A 78 10.433 3.531 11.838 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.886 3.860 11.843 1.00 0.00 N ATOM 0 H LYS A 78 6.509 3.850 7.015 1.00 0.00 H new ATOM 0 HA LYS A 78 7.939 5.921 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.811 3.310 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.038 3.215 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.584 4.525 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.342 5.084 10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.068 2.447 10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.728 2.421 10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.861 4.410 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.233 2.757 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.166 4.179 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.434 3.014 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.073 4.616 11.154 1.00 0.00 H new ATOM 1247 N LYS A 79 8.458 5.144 5.447 1.00 0.00 N ATOM 1248 CA LYS A 79 9.220 5.480 4.248 1.00 0.00 C ATOM 1249 C LYS A 79 8.688 6.746 3.581 1.00 0.00 C ATOM 1250 O LYS A 79 9.457 7.644 3.237 1.00 0.00 O ATOM 1251 CB LYS A 79 9.180 4.316 3.257 1.00 0.00 C ATOM 1252 CG LYS A 79 10.336 4.317 2.270 1.00 0.00 C ATOM 1253 CD LYS A 79 9.856 4.079 0.847 1.00 0.00 C ATOM 1254 CE LYS A 79 10.993 4.212 -0.154 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.126 5.606 -0.660 1.00 0.00 N ATOM 0 H LYS A 79 7.603 4.616 5.271 1.00 0.00 H new ATOM 0 HA LYS A 79 10.250 5.666 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.187 3.377 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.241 4.352 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.860 5.271 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.053 3.544 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.418 3.084 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.069 4.793 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.928 3.905 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.820 3.536 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.912 5.655 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.243 5.890 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.316 6.248 0.136 1.00 0.00 H new ATOM 1269 N PHE A 80 7.374 6.809 3.387 1.00 0.00 N ATOM 1270 CA PHE A 80 6.753 7.964 2.745 1.00 0.00 C ATOM 1271 C PHE A 80 6.065 8.875 3.758 1.00 0.00 C ATOM 1272 O PHE A 80 5.808 10.045 3.474 1.00 0.00 O ATOM 1273 CB PHE A 80 5.737 7.510 1.696 1.00 0.00 C ATOM 1274 CG PHE A 80 6.202 6.349 0.863 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.113 5.055 1.348 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.723 6.552 -0.405 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.536 3.984 0.584 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.147 5.485 -1.172 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.053 4.200 -0.678 1.00 0.00 C ATOM 0 H PHE A 80 6.720 6.077 3.664 1.00 0.00 H new ATOM 0 HA PHE A 80 7.549 8.531 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.809 7.236 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.509 8.349 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.709 4.881 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.798 7.555 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.462 2.979 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.552 5.656 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.383 3.365 -1.277 1.00 0.00 H new ATOM 1289 N ALA A 81 5.754 8.335 4.934 1.00 0.00 N ATOM 1290 CA ALA A 81 5.080 9.107 5.976 1.00 0.00 C ATOM 1291 C ALA A 81 3.602 9.278 5.649 1.00 0.00 C ATOM 1292 O ALA A 81 2.999 10.306 5.957 1.00 0.00 O ATOM 1293 CB ALA A 81 5.744 10.467 6.158 1.00 0.00 C ATOM 0 H ALA A 81 5.957 7.369 5.189 1.00 0.00 H new ATOM 0 HA ALA A 81 5.165 8.555 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.225 11.024 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.787 10.328 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.696 11.024 5.222 1.00 0.00 H new ATOM 1299 N CYS A 82 3.025 8.258 5.021 1.00 0.00 N ATOM 1300 CA CYS A 82 1.617 8.284 4.646 1.00 0.00 C ATOM 1301 C CYS A 82 0.845 7.194 5.380 1.00 0.00 C ATOM 1302 O CYS A 82 1.436 6.284 5.959 1.00 0.00 O ATOM 1303 CB CYS A 82 1.466 8.103 3.135 1.00 0.00 C ATOM 1304 SG CYS A 82 1.797 9.601 2.176 1.00 0.00 S ATOM 0 H CYS A 82 3.513 7.401 4.761 1.00 0.00 H new ATOM 0 HA CYS A 82 1.206 9.253 4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.143 7.316 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.453 7.763 2.920 1.00 0.00 H new ATOM 0 HG CYS A 82 1.070 9.596 1.098 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.480 7.290 5.350 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.329 6.308 6.012 1.00 0.00 C ATOM 1312 C ASN A 83 -1.586 5.115 5.098 1.00 0.00 C ATOM 1313 O ASN A 83 -1.754 5.273 3.889 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.658 6.946 6.425 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.581 7.611 7.785 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.934 8.779 7.939 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.118 6.866 8.784 1.00 0.00 N ATOM 0 H ASN A 83 -0.988 8.036 4.875 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.812 5.957 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.951 7.684 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.435 6.182 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.045 7.259 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.836 5.901 8.612 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.611 3.922 5.680 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.846 2.725 4.896 1.00 0.00 C ATOM 1326 C GLY A 84 -2.518 1.625 5.693 1.00 0.00 C ATOM 1327 O GLY A 84 -2.365 1.549 6.912 1.00 0.00 O ATOM 0 H GLY A 84 -1.473 3.763 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.467 2.975 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.896 2.358 4.508 1.00 0.00 H new ATOM 1331 N THR A 85 -3.260 0.770 5.000 1.00 0.00 N ATOM 1332 CA THR A 85 -3.958 -0.336 5.648 1.00 0.00 C ATOM 1333 C THR A 85 -4.036 -1.548 4.724 1.00 0.00 C ATOM 1334 O THR A 85 -3.845 -1.432 3.515 1.00 0.00 O ATOM 1335 CB THR A 85 -5.366 0.096 6.061 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.190 0.276 4.923 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.388 1.385 6.854 1.00 0.00 C ATOM 0 H THR A 85 -3.395 0.820 3.990 1.00 0.00 H new ATOM 0 HA THR A 85 -3.395 -0.617 6.538 1.00 0.00 H new ATOM 0 HB THR A 85 -5.740 -0.708 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.651 0.621 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.417 1.634 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.802 1.262 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.961 2.189 6.254 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.317 -2.712 5.304 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.421 -3.948 4.535 1.00 0.00 C ATOM 1347 C VAL A 86 -5.844 -4.504 4.584 1.00 0.00 C ATOM 1348 O VAL A 86 -6.101 -5.535 5.206 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.438 -5.013 5.064 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -3.735 -5.347 6.520 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -3.485 -6.263 4.198 1.00 0.00 C ATOM 0 H VAL A 86 -4.477 -2.825 6.305 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.166 -3.711 3.502 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.429 -4.603 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.030 -6.100 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.638 -4.447 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.751 -5.734 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.785 -7.002 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.493 -6.677 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.211 -6.007 3.175 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.768 -3.809 3.926 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.166 -4.229 3.898 1.00 0.00 C ATOM 1363 C ILE A 87 -8.394 -5.354 2.895 1.00 0.00 C ATOM 1364 O ILE A 87 -7.624 -5.526 1.951 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.099 -3.055 3.542 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.725 -2.471 2.176 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.041 -1.982 4.618 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.812 -2.625 1.134 1.00 0.00 C ATOM 0 H ILE A 87 -6.574 -2.953 3.406 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.400 -4.588 4.900 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.121 -3.429 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.493 -1.412 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.818 -2.958 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.706 -1.161 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.355 -2.406 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.021 -1.609 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.478 -2.189 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.028 -3.683 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.714 -2.114 1.471 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.466 -6.111 3.103 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.811 -7.212 2.216 1.00 0.00 C ATOM 1382 C GLU A 88 -11.058 -6.872 1.408 1.00 0.00 C ATOM 1383 O GLU A 88 -12.128 -7.441 1.624 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.042 -8.492 3.021 1.00 0.00 C ATOM 1385 CG GLU A 88 -9.835 -9.759 2.210 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.473 -10.975 2.853 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -9.940 -11.454 3.876 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.506 -11.447 2.335 1.00 0.00 O ATOM 0 H GLU A 88 -10.112 -5.980 3.881 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.981 -7.374 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.366 -8.502 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.057 -8.485 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.252 -9.619 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.767 -9.936 2.087 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.913 -5.931 0.481 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.023 -5.499 -0.361 1.00 0.00 C ATOM 1397 C HIS A 89 -12.745 -6.694 -0.983 1.00 0.00 C ATOM 1398 O HIS A 89 -12.115 -7.562 -1.586 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.516 -4.568 -1.464 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.492 -3.499 -1.841 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -13.220 -3.524 -3.011 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.862 -2.368 -1.194 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.995 -2.456 -3.069 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.798 -1.738 -1.978 1.00 0.00 N ATOM 0 H HIS A 89 -10.033 -5.451 0.293 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.732 -4.962 0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.587 -4.101 -1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.280 -5.161 -2.348 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.490 -2.025 -0.240 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.674 -2.211 -3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.265 -0.859 -1.754 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.082 -6.757 -0.848 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.878 -7.852 -1.407 1.00 0.00 C ATOM 1415 C PRO A 90 -15.008 -7.753 -2.924 1.00 0.00 C ATOM 1416 O PRO A 90 -15.369 -8.725 -3.591 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.240 -7.672 -0.739 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.327 -6.214 -0.449 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.923 -5.765 -0.148 1.00 0.00 C ATOM 0 HA PRO A 90 -14.424 -8.826 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.049 -7.995 -1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.315 -8.263 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.736 -5.671 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.987 -6.023 0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.739 -4.755 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.726 -5.758 0.924 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.713 -6.575 -3.463 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.795 -6.344 -4.900 1.00 0.00 C ATOM 1429 C GLU A 91 -13.510 -6.782 -5.597 1.00 0.00 C ATOM 1430 O GLU A 91 -13.522 -7.128 -6.779 1.00 0.00 O ATOM 1431 CB GLU A 91 -15.068 -4.865 -5.179 1.00 0.00 C ATOM 1432 CG GLU A 91 -16.402 -4.608 -5.857 1.00 0.00 C ATOM 1433 CD GLU A 91 -17.567 -5.214 -5.100 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -17.968 -4.636 -4.067 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -18.077 -6.266 -5.537 1.00 0.00 O ATOM 0 H GLU A 91 -14.414 -5.763 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.617 -6.940 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.037 -4.315 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.269 -4.469 -5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.556 -3.533 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.377 -5.018 -6.867 1.00 0.00 H new ATOM 1442 N TYR A 92 -12.403 -6.761 -4.861 1.00 0.00 N ATOM 1443 CA TYR A 92 -11.111 -7.155 -5.413 1.00 0.00 C ATOM 1444 C TYR A 92 -10.602 -8.429 -4.747 1.00 0.00 C ATOM 1445 O TYR A 92 -10.264 -9.401 -5.423 1.00 0.00 O ATOM 1446 CB TYR A 92 -10.089 -6.026 -5.235 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.678 -4.639 -5.381 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -11.704 -4.390 -6.284 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -10.208 -3.580 -4.614 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -12.244 -3.125 -6.420 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.743 -2.313 -4.744 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.760 -2.091 -5.648 1.00 0.00 C ATOM 1453 OH TYR A 92 -12.295 -0.830 -5.779 1.00 0.00 O ATOM 0 H TYR A 92 -12.374 -6.476 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.242 -7.350 -6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.632 -6.114 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.292 -6.151 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -12.086 -5.198 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.412 -3.750 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -13.041 -2.948 -7.127 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.366 -1.500 -4.140 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.843 -0.217 -5.162 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.554 -8.418 -3.420 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.090 -9.579 -2.684 1.00 0.00 C ATOM 1465 C GLY A 93 -8.687 -9.405 -2.137 1.00 0.00 C ATOM 1466 O GLY A 93 -7.705 -9.654 -2.837 1.00 0.00 O ATOM 0 H GLY A 93 -10.828 -7.625 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.774 -9.778 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.115 -10.451 -3.337 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.594 -8.981 -0.882 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.303 -8.778 -0.235 1.00 0.00 C ATOM 1472 C GLU A 94 -6.457 -7.763 -0.998 1.00 0.00 C ATOM 1473 O GLU A 94 -5.725 -8.118 -1.921 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.551 -10.106 -0.127 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.573 -10.157 1.035 1.00 0.00 C ATOM 1476 CD GLU A 94 -5.142 -11.571 1.371 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.634 -12.268 0.468 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.315 -11.983 2.538 1.00 0.00 O ATOM 0 H GLU A 94 -9.399 -8.771 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.487 -8.386 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.273 -10.915 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.009 -10.284 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.693 -9.561 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.033 -9.703 1.913 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.561 -6.498 -0.602 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.804 -5.430 -1.242 1.00 0.00 C ATOM 1487 C VAL A 95 -5.333 -4.408 -0.214 1.00 0.00 C ATOM 1488 O VAL A 95 -6.061 -4.076 0.721 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.643 -4.712 -2.319 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -7.008 -5.674 -3.438 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.895 -4.101 -1.706 1.00 0.00 C ATOM 0 H VAL A 95 -7.164 -6.188 0.160 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.939 -5.892 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.043 -3.906 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.600 -5.151 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.098 -6.060 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.588 -6.502 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.473 -3.599 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.500 -4.887 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.610 -3.378 -0.942 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.117 -3.905 -0.392 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.571 -2.914 0.527 1.00 0.00 C ATOM 1503 C ILE A 96 -4.137 -1.539 0.199 1.00 0.00 C ATOM 1504 O ILE A 96 -4.090 -1.098 -0.947 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.024 -2.889 0.484 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.465 -3.928 1.462 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.476 -1.499 0.803 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.390 -3.444 2.895 1.00 0.00 C ATOM 0 H ILE A 96 -3.495 -4.164 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.864 -3.191 1.539 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.705 -3.138 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.088 -4.822 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.467 -4.221 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.387 -1.519 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.852 -0.783 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.797 -1.201 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.985 -4.235 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.743 -2.569 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.389 -3.179 3.242 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.685 -0.875 1.209 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.278 0.443 1.021 1.00 0.00 C ATOM 1522 C GLN A 97 -4.380 1.542 1.575 1.00 0.00 C ATOM 1523 O GLN A 97 -4.246 1.695 2.789 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.651 0.504 1.696 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.802 0.700 0.722 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.132 0.894 1.423 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -10.105 0.194 1.138 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.182 1.846 2.347 1.00 0.00 N ATOM 0 H GLN A 97 -4.731 -1.227 2.165 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.392 0.607 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.813 -0.418 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.655 1.320 2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.597 1.566 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.866 -0.165 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.352 2.402 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.050 2.021 2.852 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.782 2.316 0.678 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.914 3.414 1.077 1.00 0.00 C ATOM 1539 C LEU A 98 -3.684 4.725 1.052 1.00 0.00 C ATOM 1540 O LEU A 98 -4.687 4.847 0.353 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.706 3.511 0.149 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.701 2.369 0.273 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.051 2.178 -1.036 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.268 2.638 1.415 1.00 0.00 C ATOM 0 H LEU A 98 -3.883 2.203 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.563 3.221 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.061 3.552 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.191 4.451 0.346 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.244 1.450 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.764 1.360 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.656 1.943 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.585 3.095 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.978 1.815 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.807 3.566 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.286 2.726 2.349 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.211 5.700 1.811 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.865 7.003 1.867 1.00 0.00 C ATOM 1558 C GLN A 99 -3.132 8.017 0.996 1.00 0.00 C ATOM 1559 O GLN A 99 -1.931 8.235 1.155 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.933 7.502 3.311 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.321 7.402 3.924 1.00 0.00 C ATOM 1562 CD GLN A 99 -6.197 8.590 3.576 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.907 9.724 3.955 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -7.280 8.333 2.850 1.00 0.00 N ATOM 0 H GLN A 99 -2.380 5.617 2.396 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.879 6.890 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.234 6.927 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.604 8.541 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.802 6.487 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.231 7.326 5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.483 7.377 2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.909 9.092 2.586 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.865 8.632 0.073 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.269 9.614 -0.814 1.00 0.00 C ATOM 1575 C GLY A 100 -2.886 9.022 -2.155 1.00 0.00 C ATOM 1576 O GLY A 100 -2.872 7.802 -2.318 1.00 0.00 O ATOM 0 H GLY A 100 -4.861 8.468 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.971 10.434 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.383 10.038 -0.340 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.569 9.884 -3.116 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.178 9.434 -4.447 1.00 0.00 C ATOM 1582 C ASP A 101 -0.830 8.723 -4.397 1.00 0.00 C ATOM 1583 O ASP A 101 0.189 9.269 -4.821 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.108 10.619 -5.412 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.216 11.733 -4.897 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.558 12.333 -3.856 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.177 12.004 -5.533 1.00 0.00 O ATOM 0 H ASP A 101 -2.575 10.897 -2.998 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.931 8.732 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.736 10.276 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.112 11.009 -5.578 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.831 7.505 -3.863 1.00 0.00 N ATOM 1593 CA GLN A 102 0.391 6.725 -3.744 1.00 0.00 C ATOM 1594 C GLN A 102 0.677 5.927 -5.011 1.00 0.00 C ATOM 1595 O GLN A 102 1.643 5.170 -5.061 1.00 0.00 O ATOM 1596 CB GLN A 102 0.304 5.777 -2.548 1.00 0.00 C ATOM 1597 CG GLN A 102 -0.063 6.472 -1.250 1.00 0.00 C ATOM 1598 CD GLN A 102 0.792 7.694 -0.978 1.00 0.00 C ATOM 1599 OE1 GLN A 102 0.358 8.838 -1.492 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.827 7.612 -0.317 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.666 7.039 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 102 1.211 7.427 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.436 5.005 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.263 5.274 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -1.111 6.768 -1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.042 5.769 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.122 6.711 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.390 8.445 -0.145 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.161 6.093 -6.033 1.00 0.00 N ATOM 1610 CA ARG A 103 0.017 5.373 -7.294 1.00 0.00 C ATOM 1611 C ARG A 103 1.482 5.363 -7.731 1.00 0.00 C ATOM 1612 O ARG A 103 1.935 4.427 -8.390 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.849 5.997 -8.392 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.434 7.412 -8.772 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.381 7.598 -10.280 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.438 8.484 -10.761 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.441 9.803 -10.579 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.446 10.392 -9.928 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.441 10.534 -11.050 1.00 0.00 N ATOM 0 H ARG A 103 -0.967 6.717 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.296 4.342 -7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.806 5.365 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.887 6.010 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.137 8.125 -8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.544 7.631 -8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.590 8.007 -10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.472 6.628 -10.768 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.220 8.068 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.326 9.834 -9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.454 11.403 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.208 10.086 -11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.444 11.544 -10.911 1.00 0.00 H new ATOM 1633 N LYS A 104 2.217 6.404 -7.357 1.00 0.00 N ATOM 1634 CA LYS A 104 3.628 6.509 -7.708 1.00 0.00 C ATOM 1635 C LYS A 104 4.520 6.160 -6.519 1.00 0.00 C ATOM 1636 O LYS A 104 5.689 5.810 -6.691 1.00 0.00 O ATOM 1637 CB LYS A 104 3.948 7.921 -8.200 1.00 0.00 C ATOM 1638 CG LYS A 104 5.120 7.979 -9.166 1.00 0.00 C ATOM 1639 CD LYS A 104 4.771 7.346 -10.503 1.00 0.00 C ATOM 1640 CE LYS A 104 4.305 8.387 -11.508 1.00 0.00 C ATOM 1641 NZ LYS A 104 5.327 9.447 -11.725 1.00 0.00 N ATOM 0 H LYS A 104 1.859 7.187 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 104 3.828 5.795 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.066 8.335 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.165 8.556 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.415 9.017 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.977 7.465 -8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.642 6.823 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.989 6.601 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.080 7.900 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.379 8.842 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.257 9.802 -12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.163 10.229 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.276 9.052 -11.568 1.00 0.00 H new ATOM 1655 N ASN A 105 3.969 6.261 -5.312 1.00 0.00 N ATOM 1656 CA ASN A 105 4.725 5.961 -4.100 1.00 0.00 C ATOM 1657 C ASN A 105 4.666 4.474 -3.758 1.00 0.00 C ATOM 1658 O ASN A 105 5.651 3.896 -3.300 1.00 0.00 O ATOM 1659 CB ASN A 105 4.192 6.785 -2.926 1.00 0.00 C ATOM 1660 CG ASN A 105 4.642 8.231 -2.985 1.00 0.00 C ATOM 1661 OD1 ASN A 105 5.812 8.540 -2.762 1.00 0.00 O ATOM 1662 ND2 ASN A 105 3.710 9.128 -3.287 1.00 0.00 N ATOM 0 H ASN A 105 3.004 6.548 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 105 5.766 6.225 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.103 6.746 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.530 6.340 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.953 10.117 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 105 2.752 8.828 -3.465 1.00 0.00 H new ATOM 1669 N ILE A 106 3.506 3.858 -3.974 1.00 0.00 N ATOM 1670 CA ILE A 106 3.339 2.442 -3.676 1.00 0.00 C ATOM 1671 C ILE A 106 4.149 1.575 -4.635 1.00 0.00 C ATOM 1672 O ILE A 106 4.899 0.700 -4.203 1.00 0.00 O ATOM 1673 CB ILE A 106 1.855 2.019 -3.707 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.695 0.596 -3.166 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.291 2.122 -5.114 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.374 0.366 -1.831 1.00 0.00 C ATOM 0 H ILE A 106 2.675 4.314 -4.351 1.00 0.00 H new ATOM 0 HA ILE A 106 3.714 2.288 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 106 1.293 2.699 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.633 0.374 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.100 -0.107 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.244 1.819 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.369 3.152 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.855 1.470 -5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.215 -0.665 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.443 0.555 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.953 1.042 -1.087 1.00 0.00 H new ATOM 1688 N CYS A 107 4.025 1.834 -5.937 1.00 0.00 N ATOM 1689 CA CYS A 107 4.784 1.080 -6.931 1.00 0.00 C ATOM 1690 C CYS A 107 6.261 1.124 -6.567 1.00 0.00 C ATOM 1691 O CYS A 107 7.002 0.157 -6.759 1.00 0.00 O ATOM 1692 CB CYS A 107 4.567 1.664 -8.329 1.00 0.00 C ATOM 1693 SG CYS A 107 5.027 3.406 -8.481 1.00 0.00 S ATOM 0 H CYS A 107 3.413 2.552 -6.324 1.00 0.00 H new ATOM 0 HA CYS A 107 4.439 0.046 -6.938 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.145 1.083 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.517 1.552 -8.599 1.00 0.00 H new ATOM 0 HG CYS A 107 5.301 3.887 -7.305 1.00 0.00 H new ATOM 1699 N GLN A 108 6.666 2.260 -6.010 1.00 0.00 N ATOM 1700 CA GLN A 108 8.042 2.461 -5.574 1.00 0.00 C ATOM 1701 C GLN A 108 8.363 1.519 -4.425 1.00 0.00 C ATOM 1702 O GLN A 108 9.414 0.882 -4.396 1.00 0.00 O ATOM 1703 CB GLN A 108 8.247 3.907 -5.118 1.00 0.00 C ATOM 1704 CG GLN A 108 8.684 4.843 -6.228 1.00 0.00 C ATOM 1705 CD GLN A 108 10.192 5.002 -6.304 1.00 0.00 C ATOM 1706 OE1 GLN A 108 10.919 3.924 -6.029 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.697 6.082 -6.607 1.00 0.00 N flip ATOM 0 H GLN A 108 6.055 3.061 -5.849 1.00 0.00 H new ATOM 0 HA GLN A 108 8.707 2.253 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.317 4.278 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.994 3.925 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.315 4.466 -7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.227 5.821 -6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.101 6.884 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.712 6.175 -6.655 1.00 0.00 H new ATOM 1716 N PHE A 109 7.436 1.447 -3.478 1.00 0.00 N ATOM 1717 CA PHE A 109 7.578 0.598 -2.307 1.00 0.00 C ATOM 1718 C PHE A 109 7.821 -0.854 -2.705 1.00 0.00 C ATOM 1719 O PHE A 109 8.792 -1.472 -2.275 1.00 0.00 O ATOM 1720 CB PHE A 109 6.314 0.708 -1.455 1.00 0.00 C ATOM 1721 CG PHE A 109 6.445 0.118 -0.082 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.310 0.670 0.846 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.690 -0.983 0.281 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.423 0.133 2.112 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.796 -1.524 1.544 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.664 -0.968 2.462 1.00 0.00 C ATOM 0 H PHE A 109 6.565 1.977 -3.502 1.00 0.00 H new ATOM 0 HA PHE A 109 8.442 0.932 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.042 1.759 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.495 0.212 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.904 1.531 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.010 -1.423 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.103 0.572 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.200 -2.383 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.750 -1.392 3.451 1.00 0.00 H new ATOM 1736 N LEU A 110 6.933 -1.392 -3.535 1.00 0.00 N ATOM 1737 CA LEU A 110 7.051 -2.773 -3.993 1.00 0.00 C ATOM 1738 C LEU A 110 8.418 -3.023 -4.617 1.00 0.00 C ATOM 1739 O LEU A 110 8.936 -4.140 -4.580 1.00 0.00 O ATOM 1740 CB LEU A 110 5.948 -3.093 -5.005 1.00 0.00 C ATOM 1741 CG LEU A 110 4.573 -3.386 -4.400 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.184 -2.308 -3.398 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.523 -3.502 -5.496 1.00 0.00 C ATOM 0 H LEU A 110 6.124 -0.893 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 110 6.941 -3.427 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.853 -2.253 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.258 -3.955 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 110 4.627 -4.338 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.203 -2.536 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.921 -2.274 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.149 -1.341 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.551 -3.710 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.473 -2.566 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.792 -4.313 -6.173 1.00 0.00 H new ATOM 1755 N VAL A 111 8.997 -1.975 -5.190 1.00 0.00 N ATOM 1756 CA VAL A 111 10.306 -2.075 -5.821 1.00 0.00 C ATOM 1757 C VAL A 111 11.422 -1.709 -4.843 1.00 0.00 C ATOM 1758 O VAL A 111 12.569 -2.120 -5.013 1.00 0.00 O ATOM 1759 CB VAL A 111 10.393 -1.154 -7.053 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.748 -1.286 -7.733 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.268 -1.462 -8.029 1.00 0.00 C ATOM 0 H VAL A 111 8.580 -1.045 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 111 10.434 -3.111 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 111 10.283 -0.123 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.786 -0.626 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.535 -1.009 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.895 -2.317 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.345 -0.802 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.344 -2.499 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.307 -1.306 -7.538 1.00 0.00 H new ATOM 1771 N GLU A 112 11.075 -0.927 -3.826 1.00 0.00 N ATOM 1772 CA GLU A 112 12.041 -0.493 -2.822 1.00 0.00 C ATOM 1773 C GLU A 112 12.197 -1.532 -1.718 1.00 0.00 C ATOM 1774 O GLU A 112 13.312 -1.870 -1.320 1.00 0.00 O ATOM 1775 CB GLU A 112 11.598 0.835 -2.209 1.00 0.00 C ATOM 1776 CG GLU A 112 11.623 1.997 -3.188 1.00 0.00 C ATOM 1777 CD GLU A 112 12.739 2.980 -2.896 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.758 2.564 -2.303 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.596 4.166 -3.259 1.00 0.00 O ATOM 0 H GLU A 112 10.128 -0.579 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 112 13.004 -0.368 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.588 0.724 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.245 1.069 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.739 1.612 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.666 2.518 -3.153 1.00 0.00 H new ATOM 1786 N ILE A 113 11.069 -2.021 -1.220 1.00 0.00 N ATOM 1787 CA ILE A 113 11.070 -3.008 -0.149 1.00 0.00 C ATOM 1788 C ILE A 113 11.082 -4.436 -0.691 1.00 0.00 C ATOM 1789 O ILE A 113 10.776 -5.383 0.033 1.00 0.00 O ATOM 1790 CB ILE A 113 9.843 -2.822 0.762 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.553 -3.018 -0.037 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.864 -1.440 1.400 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.497 -3.805 0.702 1.00 0.00 C ATOM 0 H ILE A 113 10.140 -1.749 -1.542 1.00 0.00 H new ATOM 0 HA ILE A 113 11.982 -2.850 0.427 1.00 0.00 H new ATOM 0 HB ILE A 113 9.880 -3.572 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.148 -2.041 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.788 -3.529 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.991 -1.322 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.770 -1.328 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.847 -0.679 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.611 -3.904 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.883 -4.795 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.233 -3.285 1.623 1.00 0.00 H new ATOM 1805 N GLY A 114 11.434 -4.588 -1.967 1.00 0.00 N ATOM 1806 CA GLY A 114 11.476 -5.907 -2.572 1.00 0.00 C ATOM 1807 C GLY A 114 10.197 -6.691 -2.348 1.00 0.00 C ATOM 1808 O GLY A 114 10.235 -7.847 -1.926 1.00 0.00 O ATOM 0 H GLY A 114 11.690 -3.822 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.654 -5.806 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.317 -6.465 -2.160 1.00 0.00 H new ATOM 1812 N LEU A 115 9.062 -6.059 -2.626 1.00 0.00 N ATOM 1813 CA LEU A 115 7.766 -6.701 -2.449 1.00 0.00 C ATOM 1814 C LEU A 115 7.284 -7.322 -3.754 1.00 0.00 C ATOM 1815 O LEU A 115 7.211 -8.543 -3.884 1.00 0.00 O ATOM 1816 CB LEU A 115 6.737 -5.689 -1.942 1.00 0.00 C ATOM 1817 CG LEU A 115 5.660 -6.258 -1.015 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.285 -7.077 0.105 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.802 -5.139 -0.444 1.00 0.00 C ATOM 0 H LEU A 115 9.014 -5.102 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 115 7.880 -7.494 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.264 -4.894 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.248 -5.231 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 115 5.021 -6.918 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.499 -7.470 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.852 -7.904 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.952 -6.444 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.042 -5.562 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.430 -4.452 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.318 -4.600 -1.258 1.00 0.00 H new ATOM 1831 N ALA A 116 6.958 -6.471 -4.720 1.00 0.00 N ATOM 1832 CA ALA A 116 6.487 -6.936 -6.016 1.00 0.00 C ATOM 1833 C ALA A 116 7.615 -6.912 -7.041 1.00 0.00 C ATOM 1834 O ALA A 116 8.735 -6.504 -6.733 1.00 0.00 O ATOM 1835 CB ALA A 116 5.322 -6.083 -6.491 1.00 0.00 C ATOM 0 H ALA A 116 7.012 -5.456 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 116 6.146 -7.965 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.980 -6.442 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.506 -6.149 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.644 -5.045 -6.581 1.00 0.00 H new ATOM 1841 N LYS A 117 7.315 -7.342 -8.261 1.00 0.00 N ATOM 1842 CA LYS A 117 8.309 -7.358 -9.327 1.00 0.00 C ATOM 1843 C LYS A 117 8.106 -6.175 -10.263 1.00 0.00 C ATOM 1844 O LYS A 117 7.002 -5.640 -10.369 1.00 0.00 O ATOM 1845 CB LYS A 117 8.232 -8.668 -10.112 1.00 0.00 C ATOM 1846 CG LYS A 117 9.567 -9.387 -10.219 1.00 0.00 C ATOM 1847 CD LYS A 117 10.135 -9.720 -8.848 1.00 0.00 C ATOM 1848 CE LYS A 117 11.514 -9.110 -8.651 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.471 -9.552 -9.702 1.00 0.00 N ATOM 0 H LYS A 117 6.394 -7.683 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 117 9.297 -7.280 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.509 -9.328 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.858 -8.461 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.442 -10.304 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.274 -8.763 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.460 -9.353 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.195 -10.802 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.436 -8.023 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.898 -9.389 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.438 -9.537 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.233 -10.518 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.411 -8.910 -10.518 1.00 0.00 H new ATOM 1863 N ASP A 118 9.171 -5.769 -10.945 1.00 0.00 N ATOM 1864 CA ASP A 118 9.088 -4.650 -11.872 1.00 0.00 C ATOM 1865 C ASP A 118 8.107 -4.965 -12.993 1.00 0.00 C ATOM 1866 O ASP A 118 7.480 -4.068 -13.558 1.00 0.00 O ATOM 1867 CB ASP A 118 10.462 -4.318 -12.455 1.00 0.00 C ATOM 1868 CG ASP A 118 11.565 -4.371 -11.414 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.313 -3.962 -10.261 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.680 -4.821 -11.752 1.00 0.00 O ATOM 0 H ASP A 118 10.095 -6.195 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 118 8.731 -3.780 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.691 -5.019 -13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.434 -3.323 -12.899 1.00 0.00 H new ATOM 1875 N ASP A 119 7.965 -6.251 -13.297 1.00 0.00 N ATOM 1876 CA ASP A 119 7.045 -6.694 -14.334 1.00 0.00 C ATOM 1877 C ASP A 119 5.617 -6.714 -13.799 1.00 0.00 C ATOM 1878 O ASP A 119 4.654 -6.666 -14.563 1.00 0.00 O ATOM 1879 CB ASP A 119 7.435 -8.086 -14.836 1.00 0.00 C ATOM 1880 CG ASP A 119 8.885 -8.158 -15.273 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.217 -7.578 -16.329 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.689 -8.795 -14.560 1.00 0.00 O ATOM 0 H ASP A 119 8.477 -7.004 -12.838 1.00 0.00 H new ATOM 0 HA ASP A 119 7.101 -5.993 -15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.260 -8.816 -14.046 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.792 -8.361 -15.672 1.00 0.00 H new ATOM 1887 N GLN A 120 5.492 -6.777 -12.474 1.00 0.00 N ATOM 1888 CA GLN A 120 4.188 -6.795 -11.825 1.00 0.00 C ATOM 1889 C GLN A 120 3.724 -5.380 -11.483 1.00 0.00 C ATOM 1890 O GLN A 120 2.611 -5.186 -11.000 1.00 0.00 O ATOM 1891 CB GLN A 120 4.241 -7.639 -10.551 1.00 0.00 C ATOM 1892 CG GLN A 120 4.794 -9.038 -10.765 1.00 0.00 C ATOM 1893 CD GLN A 120 4.426 -9.989 -9.641 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.154 -11.166 -9.873 1.00 0.00 O ATOM 1895 NE2 GLN A 120 4.413 -9.480 -8.413 1.00 0.00 N ATOM 0 H GLN A 120 6.282 -6.816 -11.830 1.00 0.00 H new ATOM 0 HA GLN A 120 3.475 -7.235 -12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.855 -7.125 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.237 -7.715 -10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.417 -9.433 -11.708 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.879 -8.986 -10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.645 -8.498 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.171 -10.072 -7.618 1.00 0.00 H new ATOM 1904 N LEU A 121 4.584 -4.398 -11.732 1.00 0.00 N ATOM 1905 CA LEU A 121 4.259 -3.005 -11.444 1.00 0.00 C ATOM 1906 C LEU A 121 3.063 -2.540 -12.269 1.00 0.00 C ATOM 1907 O LEU A 121 3.223 -1.860 -13.282 1.00 0.00 O ATOM 1908 CB LEU A 121 5.466 -2.107 -11.726 1.00 0.00 C ATOM 1909 CG LEU A 121 6.548 -2.113 -10.646 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.842 -1.518 -11.183 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.079 -1.349 -9.414 1.00 0.00 C ATOM 0 H LEU A 121 5.511 -4.541 -12.132 1.00 0.00 H new ATOM 0 HA LEU A 121 3.999 -2.933 -10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.916 -2.415 -12.670 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.114 -1.084 -11.860 1.00 0.00 H new ATOM 0 HG LEU A 121 6.739 -3.147 -10.357 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.601 -1.531 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.188 -2.106 -12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.666 -0.490 -11.501 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.862 -1.364 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.859 -0.317 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.180 -1.818 -9.015 1.00 0.00 H new ATOM 1923 N LYS A 122 1.866 -2.906 -11.824 1.00 0.00 N ATOM 1924 CA LYS A 122 0.645 -2.519 -12.518 1.00 0.00 C ATOM 1925 C LYS A 122 0.072 -1.245 -11.910 1.00 0.00 C ATOM 1926 O LYS A 122 -0.929 -1.281 -11.195 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.386 -3.647 -12.453 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.396 -4.531 -13.689 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.925 -3.786 -14.904 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.238 -4.243 -16.180 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.953 -3.767 -17.397 1.00 0.00 N ATOM 0 H LYS A 122 1.716 -3.469 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 122 0.887 -2.329 -13.564 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.184 -4.263 -11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.377 -3.215 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.614 -4.887 -13.891 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.013 -5.410 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.000 -3.946 -14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.772 -2.715 -14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.787 -3.873 -16.193 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.184 -5.332 -16.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.453 -4.100 -18.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.923 -4.141 -17.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.983 -2.727 -17.398 1.00 0.00 H new ATOM 1945 N VAL A 123 0.723 -0.120 -12.187 1.00 0.00 N ATOM 1946 CA VAL A 123 0.288 1.166 -11.657 1.00 0.00 C ATOM 1947 C VAL A 123 -0.702 1.854 -12.589 1.00 0.00 C ATOM 1948 O VAL A 123 -0.385 2.150 -13.742 1.00 0.00 O ATOM 1949 CB VAL A 123 1.485 2.107 -11.410 1.00 0.00 C ATOM 1950 CG1 VAL A 123 2.212 2.410 -12.711 1.00 0.00 C ATOM 1951 CG2 VAL A 123 1.025 3.391 -10.737 1.00 0.00 C ATOM 0 H VAL A 123 1.554 -0.073 -12.776 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.206 0.958 -10.708 1.00 0.00 H new ATOM 0 HB VAL A 123 2.184 1.602 -10.743 1.00 0.00 H new ATOM 0 HG11 VAL A 123 3.052 3.075 -12.512 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.580 1.481 -13.147 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.526 2.891 -13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.883 4.042 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.303 3.898 -11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.559 3.154 -9.781 1.00 0.00 H new ATOM 1961 N HIS A 124 -1.900 2.118 -12.076 1.00 0.00 N ATOM 1962 CA HIS A 124 -2.936 2.785 -12.856 1.00 0.00 C ATOM 1963 C HIS A 124 -3.202 4.182 -12.305 1.00 0.00 C ATOM 1964 O HIS A 124 -3.490 5.114 -13.056 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.220 1.955 -12.852 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.019 0.554 -13.338 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.468 0.106 -14.561 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.396 -0.500 -12.760 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.132 -1.163 -14.714 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.479 -1.554 -13.636 1.00 0.00 N ATOM 0 H HIS A 124 -2.177 1.880 -11.124 1.00 0.00 H new ATOM 0 HA HIS A 124 -2.588 2.881 -13.885 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.623 1.927 -11.840 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.964 2.447 -13.478 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.980 0.666 -15.242 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.922 -0.510 -11.790 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.354 -1.776 -15.575 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.091 4.321 -10.986 1.00 0.00 N ATOM 1980 CA GLY A 125 -3.309 5.606 -10.343 1.00 0.00 C ATOM 1981 C GLY A 125 -4.554 6.319 -10.834 1.00 0.00 C ATOM 1982 O GLY A 125 -4.469 7.421 -11.376 1.00 0.00 O ATOM 0 H GLY A 125 -2.853 3.562 -10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.385 5.457 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -2.442 6.243 -10.516 1.00 0.00 H new ATOM 1986 N PHE A 126 -5.715 5.699 -10.636 1.00 0.00 N ATOM 1987 CA PHE A 126 -6.976 6.295 -11.056 1.00 0.00 C ATOM 1988 C PHE A 126 -7.102 6.299 -12.577 1.00 0.00 C ATOM 1989 O PHE A 126 -7.952 7.050 -13.099 1.00 0.00 O ATOM 1990 CB PHE A 126 -7.083 7.722 -10.515 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.391 8.033 -9.857 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -9.566 7.447 -10.299 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -8.443 8.921 -8.798 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -10.772 7.741 -9.692 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.646 9.221 -8.188 1.00 0.00 C ATOM 1996 CZ PHE A 126 -10.812 8.630 -8.635 1.00 0.00 C ATOM 1997 OXT PHE A 126 -6.347 5.551 -13.234 1.00 0.00 O ATOM 0 H PHE A 126 -5.806 4.787 -10.189 1.00 0.00 H new ATOM 0 HA PHE A 126 -7.790 5.694 -10.651 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -6.280 7.887 -9.797 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -6.926 8.422 -11.336 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.539 6.753 -11.126 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.534 9.385 -8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -11.682 7.277 -10.043 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.675 9.917 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 126 -11.753 8.862 -8.159 1.00 0.00 H new