USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 811 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot -44:sc= -0.307! USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.187 X(o=-0.19,f=0.13) USER MOD Single : A 25 ASN : amide:sc= -0.212 K(o=-0.21,f=-5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -104:sc=-0.00865 (180deg=-0.101) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc=-0.00881 (180deg=-0.46) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00129 USER MOD Single : A 58 THR OG1 : rot -46:sc= 0.291 USER MOD Single : A 62 LYS NZ :NH3+ -137:sc= -1.07 (180deg=-3.93!) USER MOD Single : A 65 SER OG : rot 34:sc= -0.719! USER MOD Single : A 67 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.55 K(o=-1.6,f=-10!) USER MOD Single : A 83 SER OG : rot -170:sc= -3.11 USER MOD Single : A 92 GLN : amide:sc= 0.29 K(o=0.29,f=-4!) USER MOD Single : A 100 GLN : amide:sc= -1.8 K(o=-1.8,f=-4.3!) USER MOD Single : A 102 MET CE :methyl -165:sc= -2.14! (180deg=-2.92) USER MOD Single : A 103 ASN : amide:sc= -0.664 K(o=-0.66,f=-2.7!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.6!) USER MOD Single : A 113 TYR OH : rot 158:sc= 0.773 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.728 K(o=-0.73,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 -0.703 -1.499 -14.989 1.00 0.00 N ATOM 2 CA ALA A 21 0.536 -0.729 -14.707 1.00 0.00 C ATOM 3 C ALA A 21 1.760 -1.639 -14.721 1.00 0.00 C ATOM 4 O ALA A 21 1.676 -2.802 -15.124 1.00 0.00 O ATOM 5 CB ALA A 21 0.420 -0.018 -13.366 1.00 0.00 C ATOM 0 HA ALA A 21 0.660 0.017 -15.492 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.334 0.543 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.428 0.667 -13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.270 -0.754 -12.576 1.00 0.00 H new ATOM 13 N MET A 22 2.895 -1.103 -14.287 1.00 0.00 N ATOM 14 CA MET A 22 4.136 -1.867 -14.250 1.00 0.00 C ATOM 15 C MET A 22 4.910 -1.588 -12.965 1.00 0.00 C ATOM 16 O MET A 22 4.699 -0.566 -12.320 1.00 0.00 O ATOM 17 CB MET A 22 5.003 -1.530 -15.472 1.00 0.00 C ATOM 18 CG MET A 22 4.437 -2.044 -16.777 1.00 0.00 C ATOM 19 SD MET A 22 4.478 -3.843 -16.895 1.00 0.00 S ATOM 20 CE MET A 22 3.059 -4.146 -17.945 1.00 0.00 C ATOM 0 H MET A 22 2.981 -0.142 -13.956 1.00 0.00 H new ATOM 0 HA MET A 22 3.884 -2.927 -14.274 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.119 -0.448 -15.537 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.999 -1.949 -15.327 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.408 -1.701 -16.882 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.001 -1.617 -17.606 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.951 -5.218 -18.111 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.161 -3.761 -17.462 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.200 -3.643 -18.902 1.00 0.00 H new ATOM 30 N ALA A 23 5.805 -2.502 -12.616 1.00 0.00 N ATOM 31 CA ALA A 23 6.609 -2.354 -11.402 1.00 0.00 C ATOM 32 C ALA A 23 7.468 -1.095 -11.472 1.00 0.00 C ATOM 33 O ALA A 23 7.968 -0.726 -12.527 1.00 0.00 O ATOM 34 CB ALA A 23 7.483 -3.582 -11.204 1.00 0.00 C ATOM 0 H ALA A 23 5.995 -3.350 -13.150 1.00 0.00 H new ATOM 0 HA ALA A 23 5.936 -2.258 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.078 -3.463 -10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.852 -4.466 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.146 -3.698 -12.061 1.00 0.00 H new ATOM 40 N GLN A 24 7.634 -0.441 -10.328 1.00 0.00 N ATOM 41 CA GLN A 24 8.432 0.777 -10.245 1.00 0.00 C ATOM 42 C GLN A 24 9.449 0.692 -9.111 1.00 0.00 C ATOM 43 O GLN A 24 9.241 -0.022 -8.129 1.00 0.00 O ATOM 44 CB GLN A 24 7.526 1.993 -10.042 1.00 0.00 C ATOM 45 CG GLN A 24 6.434 2.119 -11.091 1.00 0.00 C ATOM 46 CD GLN A 24 6.988 2.275 -12.493 1.00 0.00 C ATOM 47 OE1 GLN A 24 6.595 1.556 -13.420 1.00 0.00 O ATOM 48 NE2 GLN A 24 7.908 3.217 -12.665 1.00 0.00 N ATOM 0 H GLN A 24 7.225 -0.735 -9.441 1.00 0.00 H new ATOM 0 HA GLN A 24 8.974 0.887 -11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.066 1.932 -9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.136 2.896 -10.054 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.795 1.237 -11.053 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.806 2.978 -10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.206 3.789 -11.875 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.317 3.368 -13.587 1.00 0.00 H new ATOM 57 N ASN A 25 10.549 1.424 -9.253 1.00 0.00 N ATOM 58 CA ASN A 25 11.599 1.431 -8.248 1.00 0.00 C ATOM 59 C ASN A 25 11.694 2.794 -7.563 1.00 0.00 C ATOM 60 O ASN A 25 12.308 3.720 -8.094 1.00 0.00 O ATOM 61 CB ASN A 25 12.945 1.066 -8.869 1.00 0.00 C ATOM 62 CG ASN A 25 13.268 1.921 -10.088 1.00 0.00 C ATOM 63 OD1 ASN A 25 12.446 2.074 -10.983 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.472 2.483 -10.102 1.00 0.00 N ATOM 0 H ASN A 25 10.734 2.021 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 25 11.343 0.683 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.731 1.187 -8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.937 0.015 -9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.749 3.075 -10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.119 2.322 -9.330 1.00 0.00 H new ATOM 71 N ILE A 26 11.081 2.911 -6.389 1.00 0.00 N ATOM 72 CA ILE A 26 11.097 4.161 -5.641 1.00 0.00 C ATOM 73 C ILE A 26 12.096 4.100 -4.490 1.00 0.00 C ATOM 74 O ILE A 26 12.185 3.095 -3.792 1.00 0.00 O ATOM 75 CB ILE A 26 9.702 4.498 -5.078 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.646 4.406 -6.182 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.704 5.886 -4.453 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.398 3.659 -5.762 1.00 0.00 C ATOM 0 H ILE A 26 10.567 2.155 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 26 11.397 4.943 -6.339 1.00 0.00 H new ATOM 0 HB ILE A 26 9.454 3.772 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.369 5.413 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.081 3.911 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.712 6.109 -4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.432 5.919 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.970 6.625 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.693 3.632 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.662 2.641 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.939 4.166 -4.913 1.00 0.00 H new ATOM 90 N THR A 27 12.849 5.179 -4.307 1.00 0.00 N ATOM 91 CA THR A 27 13.843 5.248 -3.242 1.00 0.00 C ATOM 92 C THR A 27 13.231 5.801 -1.959 1.00 0.00 C ATOM 93 O THR A 27 12.422 6.727 -1.994 1.00 0.00 O ATOM 94 CB THR A 27 15.024 6.119 -3.673 1.00 0.00 C ATOM 95 OG1 THR A 27 14.586 7.419 -4.026 1.00 0.00 O ATOM 96 CG2 THR A 27 15.784 5.554 -4.854 1.00 0.00 C ATOM 0 H THR A 27 12.790 6.019 -4.883 1.00 0.00 H new ATOM 0 HA THR A 27 14.198 4.236 -3.047 1.00 0.00 H new ATOM 0 HB THR A 27 15.691 6.148 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.356 7.961 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.608 6.220 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.178 4.571 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.114 5.464 -5.709 1.00 0.00 H new ATOM 104 N ALA A 28 13.624 5.223 -0.836 1.00 0.00 N ATOM 105 CA ALA A 28 13.115 5.655 0.460 1.00 0.00 C ATOM 106 C ALA A 28 14.204 5.603 1.518 1.00 0.00 C ATOM 107 O ALA A 28 15.230 4.946 1.339 1.00 0.00 O ATOM 108 CB ALA A 28 11.929 4.798 0.866 1.00 0.00 C ATOM 0 H ALA A 28 14.293 4.454 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 28 12.785 6.690 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.556 5.129 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.139 4.894 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.240 3.755 0.933 1.00 0.00 H new ATOM 114 N ARG A 29 13.975 6.301 2.625 1.00 0.00 N ATOM 115 CA ARG A 29 14.938 6.335 3.722 1.00 0.00 C ATOM 116 C ARG A 29 14.338 5.742 4.993 1.00 0.00 C ATOM 117 O ARG A 29 13.209 6.061 5.366 1.00 0.00 O ATOM 118 CB ARG A 29 15.394 7.772 3.981 1.00 0.00 C ATOM 119 CG ARG A 29 16.425 7.891 5.091 1.00 0.00 C ATOM 120 CD ARG A 29 16.480 9.302 5.660 1.00 0.00 C ATOM 121 NE ARG A 29 17.150 9.350 6.949 1.00 0.00 N ATOM 122 CZ ARG A 29 18.472 9.315 7.102 1.00 0.00 C ATOM 123 NH1 ARG A 29 19.267 9.231 6.043 1.00 0.00 N ATOM 124 NH2 ARG A 29 19.000 9.364 8.324 1.00 0.00 N ATOM 0 H ARG A 29 13.131 6.851 2.787 1.00 0.00 H new ATOM 0 HA ARG A 29 15.800 5.733 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.812 8.183 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.526 8.380 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.185 7.187 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.407 7.615 4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.999 9.955 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.466 9.689 5.765 1.00 0.00 H new ATOM 0 HE ARG A 29 16.572 9.414 7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.866 9.193 5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.279 9.205 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.392 9.428 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.013 9.337 8.443 1.00 0.00 H new ATOM 138 N ILE A 30 15.101 4.877 5.654 1.00 0.00 N ATOM 139 CA ILE A 30 14.645 4.237 6.892 1.00 0.00 C ATOM 140 C ILE A 30 14.292 5.272 7.956 1.00 0.00 C ATOM 141 O ILE A 30 15.081 6.171 8.248 1.00 0.00 O ATOM 142 CB ILE A 30 15.705 3.273 7.458 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.108 3.876 7.338 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.639 1.929 6.756 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.921 3.768 8.610 1.00 0.00 C ATOM 0 H ILE A 30 16.037 4.601 5.357 1.00 0.00 H new ATOM 0 HA ILE A 30 13.752 3.668 6.635 1.00 0.00 H new ATOM 0 HB ILE A 30 15.490 3.117 8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.642 3.375 6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.021 4.926 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.396 1.264 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.652 1.491 6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.822 2.066 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.903 4.215 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.408 4.293 9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.039 2.718 8.879 1.00 0.00 H new ATOM 157 N GLY A 31 13.103 5.136 8.527 1.00 0.00 N ATOM 158 CA GLY A 31 12.665 6.063 9.555 1.00 0.00 C ATOM 159 C GLY A 31 12.182 7.388 8.993 1.00 0.00 C ATOM 160 O GLY A 31 11.809 8.286 9.756 1.00 0.00 O ATOM 0 H GLY A 31 12.433 4.401 8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.861 5.605 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.488 6.246 10.246 1.00 0.00 H new ATOM 164 N GLU A 32 12.188 7.517 7.676 1.00 0.00 N ATOM 165 CA GLU A 32 11.746 8.747 7.028 1.00 0.00 C ATOM 166 C GLU A 32 10.291 8.631 6.562 1.00 0.00 C ATOM 167 O GLU A 32 9.930 7.679 5.880 1.00 0.00 O ATOM 168 CB GLU A 32 12.644 9.065 5.822 1.00 0.00 C ATOM 169 CG GLU A 32 12.607 10.527 5.406 1.00 0.00 C ATOM 170 CD GLU A 32 13.274 11.438 6.418 1.00 0.00 C ATOM 171 OE1 GLU A 32 12.716 11.607 7.523 1.00 0.00 O ATOM 172 OE2 GLU A 32 14.354 11.981 6.107 1.00 0.00 O ATOM 0 H GLU A 32 12.493 6.787 7.033 1.00 0.00 H new ATOM 0 HA GLU A 32 11.817 9.553 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.671 8.790 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.337 8.448 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.101 10.639 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.571 10.837 5.271 1.00 0.00 H new ATOM 179 N PRO A 33 9.430 9.597 6.948 1.00 0.00 N ATOM 180 CA PRO A 33 8.014 9.583 6.555 1.00 0.00 C ATOM 181 C PRO A 33 7.822 9.808 5.057 1.00 0.00 C ATOM 182 O PRO A 33 8.457 10.680 4.465 1.00 0.00 O ATOM 183 CB PRO A 33 7.398 10.747 7.347 1.00 0.00 C ATOM 184 CG PRO A 33 8.427 11.133 8.358 1.00 0.00 C ATOM 185 CD PRO A 33 9.755 10.770 7.763 1.00 0.00 C ATOM 0 HA PRO A 33 7.553 8.618 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.159 11.584 6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.469 10.445 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.377 12.200 8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.265 10.607 9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.165 11.581 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.493 10.538 8.531 1.00 0.00 H new ATOM 193 N LEU A 34 6.941 9.016 4.456 1.00 0.00 N ATOM 194 CA LEU A 34 6.670 9.135 3.019 1.00 0.00 C ATOM 195 C LEU A 34 5.184 8.976 2.732 1.00 0.00 C ATOM 196 O LEU A 34 4.487 8.203 3.392 1.00 0.00 O ATOM 197 CB LEU A 34 7.467 8.088 2.235 1.00 0.00 C ATOM 198 CG LEU A 34 8.851 8.543 1.780 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.754 9.850 1.001 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.787 8.691 2.963 1.00 0.00 C ATOM 0 H LEU A 34 6.405 8.290 4.931 1.00 0.00 H new ATOM 0 HA LEU A 34 6.981 10.130 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.578 7.198 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.890 7.795 1.358 1.00 0.00 H new ATOM 0 HG LEU A 34 9.261 7.779 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.750 10.160 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.123 9.705 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.319 10.621 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.767 9.016 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.385 9.431 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.883 7.732 3.473 1.00 0.00 H new ATOM 212 N VAL A 35 4.705 9.709 1.732 1.00 0.00 N ATOM 213 CA VAL A 35 3.302 9.646 1.333 1.00 0.00 C ATOM 214 C VAL A 35 3.167 9.350 -0.142 1.00 0.00 C ATOM 215 O VAL A 35 3.861 9.943 -0.967 1.00 0.00 O ATOM 216 CB VAL A 35 2.566 10.960 1.657 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.076 10.822 1.383 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.813 11.370 3.101 1.00 0.00 C ATOM 0 H VAL A 35 5.269 10.356 1.181 1.00 0.00 H new ATOM 0 HA VAL A 35 2.847 8.836 1.903 1.00 0.00 H new ATOM 0 HB VAL A 35 2.960 11.742 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.574 11.761 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.920 10.581 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.664 10.025 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.285 12.300 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.450 10.588 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.881 11.516 3.260 1.00 0.00 H new ATOM 228 N LEU A 36 2.273 8.427 -0.481 1.00 0.00 N ATOM 229 CA LEU A 36 2.055 8.051 -1.874 1.00 0.00 C ATOM 230 C LEU A 36 0.568 7.886 -2.173 1.00 0.00 C ATOM 231 O LEU A 36 -0.180 7.330 -1.376 1.00 0.00 O ATOM 232 CB LEU A 36 2.800 6.753 -2.194 1.00 0.00 C ATOM 233 CG LEU A 36 3.944 6.897 -3.199 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.543 5.535 -3.522 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.457 7.580 -4.476 1.00 0.00 C ATOM 0 H LEU A 36 1.688 7.926 0.188 1.00 0.00 H new ATOM 0 HA LEU A 36 2.443 8.852 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.200 6.343 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.085 6.027 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 36 4.718 7.520 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.356 5.656 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.929 5.081 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.774 4.892 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.286 7.673 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.664 6.984 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.073 8.571 -4.235 1.00 0.00 H new ATOM 247 N LYS A 37 0.147 8.368 -3.337 1.00 0.00 N ATOM 248 CA LYS A 37 -1.248 8.271 -3.756 1.00 0.00 C ATOM 249 C LYS A 37 -1.491 6.999 -4.560 1.00 0.00 C ATOM 250 O LYS A 37 -0.813 6.744 -5.556 1.00 0.00 O ATOM 251 CB LYS A 37 -1.644 9.495 -4.584 1.00 0.00 C ATOM 252 CG LYS A 37 -1.505 10.810 -3.825 1.00 0.00 C ATOM 253 CD LYS A 37 -0.189 11.498 -4.145 1.00 0.00 C ATOM 254 CE LYS A 37 -0.340 12.482 -5.293 1.00 0.00 C ATOM 255 NZ LYS A 37 -0.536 13.876 -4.807 1.00 0.00 N ATOM 0 H LYS A 37 0.755 8.833 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.865 8.234 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.025 9.534 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.676 9.382 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.334 11.469 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.568 10.622 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.173 12.022 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.561 10.750 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.546 12.440 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.189 12.191 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.635 14.517 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.395 13.923 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.285 14.164 -4.238 1.00 0.00 H new ATOM 269 N CYS A 38 -2.462 6.203 -4.124 1.00 0.00 N ATOM 270 CA CYS A 38 -2.793 4.957 -4.798 1.00 0.00 C ATOM 271 C CYS A 38 -4.277 4.903 -5.145 1.00 0.00 C ATOM 272 O CYS A 38 -5.065 4.266 -4.447 1.00 0.00 O ATOM 273 CB CYS A 38 -2.417 3.757 -3.927 1.00 0.00 C ATOM 274 SG CYS A 38 -1.960 2.268 -4.871 1.00 0.00 S ATOM 0 H CYS A 38 -3.034 6.402 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.219 4.915 -5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.583 4.036 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.257 3.517 -3.275 1.00 0.00 H new ATOM 279 N LYS A 39 -4.651 5.576 -6.236 1.00 0.00 N ATOM 280 CA LYS A 39 -6.040 5.604 -6.670 1.00 0.00 C ATOM 281 C LYS A 39 -6.368 4.375 -7.520 1.00 0.00 C ATOM 282 O LYS A 39 -5.548 3.468 -7.649 1.00 0.00 O ATOM 283 CB LYS A 39 -6.316 6.877 -7.473 1.00 0.00 C ATOM 284 CG LYS A 39 -5.503 6.974 -8.754 1.00 0.00 C ATOM 285 CD LYS A 39 -6.348 7.470 -9.918 1.00 0.00 C ATOM 286 CE LYS A 39 -6.603 6.366 -10.933 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.705 6.720 -11.871 1.00 0.00 N ATOM 0 H LYS A 39 -4.011 6.105 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.674 5.593 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.377 6.918 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.101 7.744 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.661 7.649 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.087 5.996 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.299 7.848 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.844 8.304 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.691 6.175 -11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.853 5.443 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.849 5.943 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.581 6.878 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.456 7.587 -12.388 1.00 0.00 H new ATOM 301 N GLY A 40 -7.573 4.351 -8.080 1.00 0.00 N ATOM 302 CA GLY A 40 -7.985 3.227 -8.893 1.00 0.00 C ATOM 303 C GLY A 40 -9.489 3.169 -9.096 1.00 0.00 C ATOM 304 O GLY A 40 -9.970 2.650 -10.094 1.00 0.00 O ATOM 0 H GLY A 40 -8.269 5.090 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.494 3.287 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.650 2.302 -8.423 1.00 0.00 H new ATOM 308 N ALA A 41 -10.231 3.704 -8.123 1.00 0.00 N ATOM 309 CA ALA A 41 -11.687 3.709 -8.200 1.00 0.00 C ATOM 310 C ALA A 41 -12.177 4.402 -9.472 1.00 0.00 C ATOM 311 O ALA A 41 -11.878 5.573 -9.693 1.00 0.00 O ATOM 312 CB ALA A 41 -12.267 4.393 -6.962 1.00 0.00 C ATOM 0 H ALA A 41 -9.848 4.135 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.031 2.675 -8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.355 4.395 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.955 3.853 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.905 5.420 -6.910 1.00 0.00 H new ATOM 318 N PRO A 42 -12.939 3.685 -10.314 1.00 0.00 N ATOM 319 CA PRO A 42 -13.463 4.247 -11.572 1.00 0.00 C ATOM 320 C PRO A 42 -14.290 5.507 -11.330 1.00 0.00 C ATOM 321 O PRO A 42 -14.229 6.113 -10.261 1.00 0.00 O ATOM 322 CB PRO A 42 -14.348 3.127 -12.122 1.00 0.00 C ATOM 323 CG PRO A 42 -13.833 1.881 -11.490 1.00 0.00 C ATOM 324 CD PRO A 42 -13.346 2.281 -10.127 1.00 0.00 C ATOM 0 HA PRO A 42 -12.666 4.547 -12.252 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.396 3.293 -11.871 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.286 3.073 -13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.617 1.127 -11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.026 1.448 -12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.130 2.186 -9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.512 1.660 -9.799 1.00 0.00 H new ATOM 332 N LYS A 43 -15.066 5.895 -12.337 1.00 0.00 N ATOM 333 CA LYS A 43 -15.906 7.084 -12.241 1.00 0.00 C ATOM 334 C LYS A 43 -17.053 6.869 -11.257 1.00 0.00 C ATOM 335 O LYS A 43 -17.644 7.828 -10.761 1.00 0.00 O ATOM 336 CB LYS A 43 -16.461 7.455 -13.617 1.00 0.00 C ATOM 337 CG LYS A 43 -16.842 8.923 -13.742 1.00 0.00 C ATOM 338 CD LYS A 43 -16.147 9.589 -14.928 1.00 0.00 C ATOM 339 CE LYS A 43 -17.122 9.883 -16.050 1.00 0.00 C ATOM 340 NZ LYS A 43 -17.382 8.679 -16.886 1.00 0.00 N ATOM 0 H LYS A 43 -15.131 5.404 -13.229 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.288 7.903 -11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.717 7.215 -14.377 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.338 6.841 -13.824 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.922 9.010 -13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.577 9.447 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.676 10.516 -14.601 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.352 8.941 -15.296 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.061 10.244 -15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.725 10.682 -16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.054 8.920 -17.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.490 8.349 -17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.784 7.925 -16.293 1.00 0.00 H new ATOM 354 N LYS A 44 -17.364 5.607 -10.979 1.00 0.00 N ATOM 355 CA LYS A 44 -18.440 5.271 -10.054 1.00 0.00 C ATOM 356 C LYS A 44 -17.957 5.352 -8.605 1.00 0.00 C ATOM 357 O LYS A 44 -16.839 4.943 -8.294 1.00 0.00 O ATOM 358 CB LYS A 44 -18.975 3.868 -10.349 1.00 0.00 C ATOM 359 CG LYS A 44 -19.678 3.758 -11.694 1.00 0.00 C ATOM 360 CD LYS A 44 -19.150 2.589 -12.513 1.00 0.00 C ATOM 361 CE LYS A 44 -18.453 3.061 -13.779 1.00 0.00 C ATOM 362 NZ LYS A 44 -17.240 2.252 -14.081 1.00 0.00 N ATOM 0 H LYS A 44 -16.886 4.800 -11.381 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.244 5.994 -10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.148 3.159 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.669 3.579 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.749 3.636 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.542 4.684 -12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.454 2.006 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.975 1.927 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.146 3.003 -14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.172 4.109 -13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.389 2.795 -13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.264 1.371 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.218 2.024 -15.095 1.00 0.00 H new ATOM 376 N PRO A 45 -18.796 5.884 -7.704 1.00 0.00 N ATOM 377 CA PRO A 45 -18.442 6.015 -6.278 1.00 0.00 C ATOM 378 C PRO A 45 -18.039 4.680 -5.660 1.00 0.00 C ATOM 379 O PRO A 45 -18.868 3.785 -5.499 1.00 0.00 O ATOM 380 CB PRO A 45 -19.729 6.535 -5.630 1.00 0.00 C ATOM 381 CG PRO A 45 -20.482 7.183 -6.748 1.00 0.00 C ATOM 382 CD PRO A 45 -20.149 6.399 -7.977 1.00 0.00 C ATOM 0 HA PRO A 45 -17.584 6.672 -6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.304 5.723 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.512 7.247 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.555 7.170 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -20.191 8.227 -6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.860 5.590 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.167 7.025 -8.869 1.00 0.00 H new ATOM 390 N PRO A 46 -16.755 4.529 -5.273 1.00 0.00 N ATOM 391 CA PRO A 46 -16.257 3.294 -4.658 1.00 0.00 C ATOM 392 C PRO A 46 -16.803 3.093 -3.256 1.00 0.00 C ATOM 393 O PRO A 46 -17.741 3.775 -2.833 1.00 0.00 O ATOM 394 CB PRO A 46 -14.741 3.499 -4.628 1.00 0.00 C ATOM 395 CG PRO A 46 -14.561 4.979 -4.601 1.00 0.00 C ATOM 396 CD PRO A 46 -15.694 5.544 -5.413 1.00 0.00 C ATOM 0 HA PRO A 46 -16.564 2.406 -5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.295 3.030 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.264 3.058 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.586 5.357 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.597 5.264 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.014 6.515 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.409 5.686 -6.455 1.00 0.00 H new ATOM 404 N GLN A 47 -16.211 2.156 -2.514 1.00 0.00 N ATOM 405 CA GLN A 47 -16.639 1.869 -1.156 1.00 0.00 C ATOM 406 C GLN A 47 -15.831 0.726 -0.549 1.00 0.00 C ATOM 407 O GLN A 47 -15.526 0.720 0.636 1.00 0.00 O ATOM 408 CB GLN A 47 -18.132 1.526 -1.124 1.00 0.00 C ATOM 409 CG GLN A 47 -19.013 2.682 -0.670 1.00 0.00 C ATOM 410 CD GLN A 47 -19.729 2.402 0.628 1.00 0.00 C ATOM 411 OE1 GLN A 47 -20.774 1.751 0.643 1.00 0.00 O ATOM 412 NE2 GLN A 47 -19.168 2.894 1.719 1.00 0.00 N ATOM 0 H GLN A 47 -15.431 1.584 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.466 2.765 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.445 1.210 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.287 0.678 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.400 3.576 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.748 2.898 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.301 3.427 1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -19.602 2.741 2.629 1.00 0.00 H new ATOM 421 N ARG A 48 -15.494 -0.241 -1.387 1.00 0.00 N ATOM 422 CA ARG A 48 -14.725 -1.401 -0.960 1.00 0.00 C ATOM 423 C ARG A 48 -13.312 -1.371 -1.531 1.00 0.00 C ATOM 424 O ARG A 48 -13.111 -0.987 -2.692 1.00 0.00 O ATOM 425 CB ARG A 48 -15.434 -2.691 -1.370 1.00 0.00 C ATOM 426 CG ARG A 48 -16.044 -3.454 -0.207 1.00 0.00 C ATOM 427 CD ARG A 48 -16.230 -4.917 -0.546 1.00 0.00 C ATOM 428 NE ARG A 48 -17.481 -5.450 -0.020 1.00 0.00 N ATOM 429 CZ ARG A 48 -17.720 -6.749 0.148 1.00 0.00 C ATOM 430 NH1 ARG A 48 -16.799 -7.648 -0.169 1.00 0.00 N ATOM 431 NH2 ARG A 48 -18.884 -7.149 0.633 1.00 0.00 N ATOM 0 H ARG A 48 -15.743 -0.246 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.649 -1.369 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.220 -2.450 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.722 -3.338 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.402 -3.360 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.006 -3.014 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.210 -5.043 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.395 -5.490 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.216 -4.790 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.900 -7.346 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.989 -8.641 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.598 -6.462 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.068 -8.144 0.762 1.00 0.00 H new ATOM 445 N LEU A 49 -12.339 -1.780 -0.732 1.00 0.00 N ATOM 446 CA LEU A 49 -10.945 -1.803 -1.155 1.00 0.00 C ATOM 447 C LEU A 49 -10.130 -2.767 -0.299 1.00 0.00 C ATOM 448 O LEU A 49 -10.427 -2.970 0.863 1.00 0.00 O ATOM 449 CB LEU A 49 -10.339 -0.400 -1.081 1.00 0.00 C ATOM 450 CG LEU A 49 -8.853 -0.317 -1.441 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.582 0.886 -2.331 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.002 -0.254 -0.181 1.00 0.00 C ATOM 0 H LEU A 49 -12.490 -2.104 0.223 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.915 -2.148 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.897 0.256 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.475 -0.015 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.583 -1.217 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.520 0.926 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.162 0.797 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.869 1.798 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.949 -0.195 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.275 0.628 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.171 -1.149 0.418 1.00 0.00 H new ATOM 464 N GLU A 50 -9.104 -3.361 -0.898 1.00 0.00 N ATOM 465 CA GLU A 50 -8.246 -4.305 -0.189 1.00 0.00 C ATOM 466 C GLU A 50 -6.775 -4.038 -0.500 1.00 0.00 C ATOM 467 O GLU A 50 -6.414 -3.694 -1.624 1.00 0.00 O ATOM 468 CB GLU A 50 -8.606 -5.740 -0.578 1.00 0.00 C ATOM 469 CG GLU A 50 -8.521 -6.004 -2.071 1.00 0.00 C ATOM 470 CD GLU A 50 -9.515 -7.052 -2.544 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.714 -6.916 -2.214 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.093 -8.008 -3.228 1.00 0.00 O ATOM 0 H GLU A 50 -8.846 -3.206 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.405 -4.173 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.939 -6.427 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.618 -5.957 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.698 -5.073 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.511 -6.330 -2.320 1.00 0.00 H new ATOM 479 N TRP A 51 -5.929 -4.200 0.506 1.00 0.00 N ATOM 480 CA TRP A 51 -4.498 -3.976 0.346 1.00 0.00 C ATOM 481 C TRP A 51 -3.747 -5.297 0.221 1.00 0.00 C ATOM 482 O TRP A 51 -4.048 -6.262 0.923 1.00 0.00 O ATOM 483 CB TRP A 51 -3.951 -3.173 1.527 1.00 0.00 C ATOM 484 CG TRP A 51 -3.022 -2.072 1.117 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.128 -1.282 0.016 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.845 -1.641 1.807 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.088 -0.386 -0.017 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.286 -0.586 1.068 1.00 0.00 C ATOM 489 CE3 TRP A 51 -1.208 -2.043 2.992 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.123 0.071 1.454 1.00 0.00 C ATOM 491 CZ3 TRP A 51 -0.053 -1.391 3.373 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.479 -0.344 2.611 1.00 0.00 C ATOM 0 H TRP A 51 -6.208 -4.486 1.444 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.347 -3.408 -0.572 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.785 -2.746 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.427 -3.848 2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.913 -1.349 -0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.939 0.318 -0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.613 -2.845 3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.289 0.877 0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.451 -1.695 4.278 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.382 0.146 2.943 1.00 0.00 H new ATOM 503 N LYS A 52 -2.767 -5.332 -0.668 1.00 0.00 N ATOM 504 CA LYS A 52 -1.969 -6.532 -0.877 1.00 0.00 C ATOM 505 C LYS A 52 -0.506 -6.171 -1.118 1.00 0.00 C ATOM 506 O LYS A 52 -0.193 -5.355 -1.985 1.00 0.00 O ATOM 507 CB LYS A 52 -2.514 -7.326 -2.066 1.00 0.00 C ATOM 508 CG LYS A 52 -3.556 -8.363 -1.678 1.00 0.00 C ATOM 509 CD LYS A 52 -4.201 -8.989 -2.905 1.00 0.00 C ATOM 510 CE LYS A 52 -5.672 -9.291 -2.666 1.00 0.00 C ATOM 511 NZ LYS A 52 -5.896 -9.956 -1.353 1.00 0.00 N ATOM 0 H LYS A 52 -2.504 -4.542 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.031 -7.147 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.952 -6.633 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.686 -7.825 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.090 -9.141 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.323 -7.896 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.100 -8.314 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.677 -9.909 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.244 -8.364 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.046 -9.931 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.783 -10.499 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.104 -10.599 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.958 -9.236 -0.605 1.00 0.00 H new ATOM 525 N LEU A 53 0.384 -6.783 -0.345 1.00 0.00 N ATOM 526 CA LEU A 53 1.814 -6.524 -0.473 1.00 0.00 C ATOM 527 C LEU A 53 2.628 -7.766 -0.136 1.00 0.00 C ATOM 528 O LEU A 53 2.139 -8.673 0.531 1.00 0.00 O ATOM 529 CB LEU A 53 2.225 -5.363 0.419 1.00 0.00 C ATOM 530 CG LEU A 53 1.949 -5.580 1.916 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.133 -6.259 2.578 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.636 -4.255 2.589 1.00 0.00 C ATOM 0 H LEU A 53 0.141 -7.462 0.377 1.00 0.00 H new ATOM 0 HA LEU A 53 2.017 -6.258 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.290 -5.176 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.699 -4.466 0.092 1.00 0.00 H new ATOM 0 HG LEU A 53 1.082 -6.231 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.923 -6.406 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.309 -7.225 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.019 -5.634 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.442 -4.422 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.485 -3.581 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.756 -3.810 2.125 1.00 0.00 H new ATOM 544 N ASN A 54 3.872 -7.800 -0.594 1.00 0.00 N ATOM 545 CA ASN A 54 4.756 -8.929 -0.333 1.00 0.00 C ATOM 546 C ASN A 54 6.118 -8.449 0.142 1.00 0.00 C ATOM 547 O ASN A 54 6.767 -7.626 -0.496 1.00 0.00 O ATOM 548 CB ASN A 54 4.925 -9.774 -1.598 1.00 0.00 C ATOM 549 CG ASN A 54 5.552 -11.125 -1.311 1.00 0.00 C ATOM 550 OD1 ASN A 54 5.022 -11.913 -0.529 1.00 0.00 O ATOM 551 ND2 ASN A 54 6.686 -11.396 -1.945 1.00 0.00 N ATOM 0 H ASN A 54 4.293 -7.056 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 54 4.304 -9.537 0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.952 -9.920 -2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.545 -9.233 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.155 -12.289 -1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.089 -10.711 -2.585 1.00 0.00 H new ATOM 558 N THR A 55 6.545 -8.969 1.296 1.00 0.00 N ATOM 559 CA THR A 55 7.830 -8.592 1.867 1.00 0.00 C ATOM 560 C THR A 55 8.598 -9.824 2.335 1.00 0.00 C ATOM 561 O THR A 55 8.030 -10.909 2.469 1.00 0.00 O ATOM 562 CB THR A 55 7.622 -7.628 3.038 1.00 0.00 C ATOM 563 OG1 THR A 55 6.294 -7.708 3.525 1.00 0.00 O ATOM 564 CG2 THR A 55 7.892 -6.183 2.678 1.00 0.00 C ATOM 0 H THR A 55 6.019 -9.648 1.847 1.00 0.00 H new ATOM 0 HA THR A 55 8.416 -8.095 1.094 1.00 0.00 H new ATOM 0 HB THR A 55 8.340 -7.938 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.182 -7.086 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.726 -5.553 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.925 -6.078 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.220 -5.876 1.877 1.00 0.00 H new ATOM 572 N GLY A 56 9.892 -9.650 2.586 1.00 0.00 N ATOM 573 CA GLY A 56 10.715 -10.756 3.048 1.00 0.00 C ATOM 574 C GLY A 56 10.206 -11.361 4.334 1.00 0.00 C ATOM 575 O GLY A 56 9.914 -12.556 4.404 1.00 0.00 O ATOM 0 H GLY A 56 10.386 -8.764 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.749 -11.526 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.737 -10.407 3.195 1.00 0.00 H new ATOM 579 N ARG A 57 10.097 -10.534 5.367 1.00 0.00 N ATOM 580 CA ARG A 57 9.616 -10.992 6.665 1.00 0.00 C ATOM 581 C ARG A 57 8.102 -11.182 6.645 1.00 0.00 C ATOM 582 O ARG A 57 7.562 -12.031 7.353 1.00 0.00 O ATOM 583 CB ARG A 57 10.003 -9.993 7.758 1.00 0.00 C ATOM 584 CG ARG A 57 10.416 -10.650 9.072 1.00 0.00 C ATOM 585 CD ARG A 57 11.162 -9.681 9.967 1.00 0.00 C ATOM 586 NE ARG A 57 10.485 -9.497 11.250 1.00 0.00 N ATOM 587 CZ ARG A 57 11.076 -9.008 12.337 1.00 0.00 C ATOM 588 NH1 ARG A 57 12.354 -8.652 12.302 1.00 0.00 N ATOM 589 NH2 ARG A 57 10.387 -8.874 13.462 1.00 0.00 N ATOM 0 H ARG A 57 10.335 -9.543 5.331 1.00 0.00 H new ATOM 0 HA ARG A 57 10.083 -11.953 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.825 -9.374 7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.160 -9.327 7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.530 -11.018 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.046 -11.515 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.173 -10.050 10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.255 -8.719 9.464 1.00 0.00 H new ATOM 0 HE ARG A 57 9.501 -9.759 11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.888 -8.753 11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.802 -8.278 13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.404 -9.146 13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.840 -8.499 14.296 1.00 0.00 H new ATOM 603 N THR A 58 7.423 -10.384 5.832 1.00 0.00 N ATOM 604 CA THR A 58 5.971 -10.463 5.705 1.00 0.00 C ATOM 605 C THR A 58 5.291 -10.097 7.028 1.00 0.00 C ATOM 606 O THR A 58 5.093 -10.949 7.886 1.00 0.00 O ATOM 607 CB THR A 58 5.547 -11.868 5.280 1.00 0.00 C ATOM 608 OG1 THR A 58 6.592 -12.509 4.561 1.00 0.00 O ATOM 609 CG2 THR A 58 4.317 -11.878 4.391 1.00 0.00 C ATOM 0 H THR A 58 7.856 -9.670 5.247 1.00 0.00 H new ATOM 0 HA THR A 58 5.660 -9.751 4.941 1.00 0.00 H new ATOM 0 HB THR A 58 5.317 -12.394 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.954 -11.893 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.069 -12.905 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.479 -11.429 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.518 -11.307 3.485 1.00 0.00 H new ATOM 617 N GLU A 59 4.934 -8.824 7.163 1.00 0.00 N ATOM 618 CA GLU A 59 4.275 -8.347 8.374 1.00 0.00 C ATOM 619 C GLU A 59 3.706 -6.944 8.180 1.00 0.00 C ATOM 620 O GLU A 59 3.617 -6.159 9.117 1.00 0.00 O ATOM 621 CB GLU A 59 5.256 -8.353 9.556 1.00 0.00 C ATOM 622 CG GLU A 59 4.950 -9.415 10.600 1.00 0.00 C ATOM 623 CD GLU A 59 5.884 -9.346 11.785 1.00 0.00 C ATOM 624 OE1 GLU A 59 6.063 -8.238 12.335 1.00 0.00 O ATOM 625 OE2 GLU A 59 6.434 -10.398 12.169 1.00 0.00 O ATOM 0 H GLU A 59 5.089 -8.108 6.454 1.00 0.00 H new ATOM 0 HA GLU A 59 3.449 -9.024 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.266 -8.509 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.242 -7.373 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.922 -9.297 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.021 -10.402 10.142 1.00 0.00 H new ATOM 632 N ALA A 60 3.325 -6.634 6.937 1.00 0.00 N ATOM 633 CA ALA A 60 2.768 -5.322 6.624 1.00 0.00 C ATOM 634 C ALA A 60 1.418 -5.433 5.920 1.00 0.00 C ATOM 635 O ALA A 60 0.640 -4.480 5.900 1.00 0.00 O ATOM 636 CB ALA A 60 3.746 -4.536 5.764 1.00 0.00 C ATOM 0 H ALA A 60 3.392 -7.269 6.141 1.00 0.00 H new ATOM 0 HA ALA A 60 2.606 -4.795 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.324 -3.558 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.684 -4.408 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.932 -5.078 4.837 1.00 0.00 H new ATOM 642 N TRP A 61 1.148 -6.596 5.330 1.00 0.00 N ATOM 643 CA TRP A 61 -0.105 -6.826 4.621 1.00 0.00 C ATOM 644 C TRP A 61 -1.306 -6.593 5.534 1.00 0.00 C ATOM 645 O TRP A 61 -1.482 -7.286 6.544 1.00 0.00 O ATOM 646 CB TRP A 61 -0.137 -8.250 4.062 1.00 0.00 C ATOM 647 CG TRP A 61 -1.434 -8.606 3.399 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.059 -7.920 2.398 1.00 0.00 C ATOM 649 CD2 TRP A 61 -2.266 -9.735 3.694 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.228 -8.554 2.060 1.00 0.00 N ATOM 651 CE2 TRP A 61 -3.378 -9.669 2.833 1.00 0.00 C ATOM 652 CE3 TRP A 61 -2.179 -10.795 4.602 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -4.393 -10.623 2.854 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -3.187 -11.740 4.621 1.00 0.00 C ATOM 655 CH2 TRP A 61 -4.281 -11.649 3.751 1.00 0.00 C ATOM 0 H TRP A 61 1.783 -7.394 5.330 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.164 -6.115 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.673 -8.367 3.342 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.052 -8.954 4.873 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.689 -7.014 1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.883 -8.241 1.343 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.339 -10.874 5.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -5.238 -10.555 2.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -3.130 -12.563 5.318 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.052 -12.405 3.789 1.00 0.00 H new ATOM 666 N LYS A 62 -2.130 -5.612 5.177 1.00 0.00 N ATOM 667 CA LYS A 62 -3.318 -5.286 5.957 1.00 0.00 C ATOM 668 C LYS A 62 -4.541 -5.161 5.055 1.00 0.00 C ATOM 669 O LYS A 62 -4.417 -4.903 3.858 1.00 0.00 O ATOM 670 CB LYS A 62 -3.105 -3.984 6.734 1.00 0.00 C ATOM 671 CG LYS A 62 -4.182 -3.710 7.771 1.00 0.00 C ATOM 672 CD LYS A 62 -5.201 -2.702 7.263 1.00 0.00 C ATOM 673 CE LYS A 62 -6.164 -2.281 8.362 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.904 -1.039 8.009 1.00 0.00 N ATOM 0 H LYS A 62 -1.996 -5.029 4.351 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.492 -6.096 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.136 -4.022 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.070 -3.152 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.687 -4.641 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.722 -3.335 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.684 -1.824 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.760 -3.135 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.875 -3.086 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.611 -2.123 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.940 -0.409 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.418 -0.556 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.872 -1.283 7.717 1.00 0.00 H new ATOM 688 N VAL A 63 -5.722 -5.341 5.644 1.00 0.00 N ATOM 689 CA VAL A 63 -6.966 -5.246 4.888 1.00 0.00 C ATOM 690 C VAL A 63 -7.977 -4.357 5.604 1.00 0.00 C ATOM 691 O VAL A 63 -8.194 -4.492 6.802 1.00 0.00 O ATOM 692 CB VAL A 63 -7.592 -6.634 4.650 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.774 -6.536 3.697 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.550 -7.607 4.121 1.00 0.00 C ATOM 0 H VAL A 63 -5.842 -5.552 6.635 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.716 -4.803 3.924 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.958 -7.013 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.201 -7.527 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.531 -5.877 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.438 -6.133 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.011 -8.581 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.149 -7.234 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.742 -7.704 4.846 1.00 0.00 H new ATOM 704 N LEU A 64 -8.592 -3.448 4.856 1.00 0.00 N ATOM 705 CA LEU A 64 -9.582 -2.537 5.411 1.00 0.00 C ATOM 706 C LEU A 64 -10.984 -3.127 5.307 1.00 0.00 C ATOM 707 O LEU A 64 -11.452 -3.456 4.217 1.00 0.00 O ATOM 708 CB LEU A 64 -9.530 -1.187 4.694 1.00 0.00 C ATOM 709 CG LEU A 64 -8.183 -0.465 4.770 1.00 0.00 C ATOM 710 CD1 LEU A 64 -7.308 -0.842 3.592 1.00 0.00 C ATOM 711 CD2 LEU A 64 -8.389 1.041 4.827 1.00 0.00 C ATOM 0 H LEU A 64 -8.420 -3.323 3.858 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.346 -2.388 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.784 -1.340 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.297 -0.538 5.117 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.676 -0.777 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.355 -0.318 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.132 -1.918 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.806 -0.562 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.421 1.539 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.917 1.370 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.977 1.295 5.709 1.00 0.00 H new ATOM 723 N SER A 65 -11.650 -3.262 6.450 1.00 0.00 N ATOM 724 CA SER A 65 -12.998 -3.816 6.489 1.00 0.00 C ATOM 725 C SER A 65 -14.026 -2.728 6.793 1.00 0.00 C ATOM 726 O SER A 65 -13.701 -1.706 7.395 1.00 0.00 O ATOM 727 CB SER A 65 -13.086 -4.923 7.539 1.00 0.00 C ATOM 728 OG SER A 65 -12.140 -4.722 8.574 1.00 0.00 O ATOM 0 H SER A 65 -11.277 -2.995 7.361 1.00 0.00 H new ATOM 0 HA SER A 65 -13.219 -4.236 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.091 -4.949 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.913 -5.890 7.067 1.00 0.00 H new ATOM 0 HG SER A 65 -12.019 -3.761 8.724 1.00 0.00 H new ATOM 734 N PRO A 66 -15.288 -2.938 6.377 1.00 0.00 N ATOM 735 CA PRO A 66 -16.367 -1.971 6.609 1.00 0.00 C ATOM 736 C PRO A 66 -16.769 -1.887 8.079 1.00 0.00 C ATOM 737 O PRO A 66 -17.489 -0.974 8.483 1.00 0.00 O ATOM 738 CB PRO A 66 -17.522 -2.521 5.770 1.00 0.00 C ATOM 739 CG PRO A 66 -17.257 -3.983 5.684 1.00 0.00 C ATOM 740 CD PRO A 66 -15.761 -4.132 5.660 1.00 0.00 C ATOM 0 HA PRO A 66 -16.069 -0.958 6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.485 -2.319 6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.547 -2.063 4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.688 -4.508 6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.706 -4.409 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.441 -5.050 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.377 -4.167 4.640 1.00 0.00 H new ATOM 748 N GLN A 67 -16.303 -2.844 8.874 1.00 0.00 N ATOM 749 CA GLN A 67 -16.617 -2.876 10.299 1.00 0.00 C ATOM 750 C GLN A 67 -15.352 -2.730 11.139 1.00 0.00 C ATOM 751 O GLN A 67 -15.265 -1.854 11.999 1.00 0.00 O ATOM 752 CB GLN A 67 -17.332 -4.182 10.654 1.00 0.00 C ATOM 753 CG GLN A 67 -18.471 -4.001 11.652 1.00 0.00 C ATOM 754 CD GLN A 67 -19.773 -3.611 10.971 1.00 0.00 C ATOM 755 OE1 GLN A 67 -20.626 -4.458 10.706 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.931 -2.323 10.689 1.00 0.00 N ATOM 0 H GLN A 67 -15.707 -3.608 8.557 1.00 0.00 H new ATOM 0 HA GLN A 67 -17.276 -2.036 10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.726 -4.630 9.742 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.607 -4.884 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.616 -4.928 12.207 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.198 -3.234 12.377 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.198 -1.655 10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.786 -2.001 10.235 1.00 0.00 H new ATOM 765 N GLY A 68 -14.375 -3.595 10.886 1.00 0.00 N ATOM 766 CA GLY A 68 -13.130 -3.545 11.629 1.00 0.00 C ATOM 767 C GLY A 68 -11.975 -3.023 10.804 1.00 0.00 C ATOM 768 O GLY A 68 -12.179 -2.500 9.708 1.00 0.00 O ATOM 0 H GLY A 68 -14.424 -4.329 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.261 -2.910 12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.889 -4.544 11.992 1.00 0.00 H new ATOM 772 N GLY A 69 -10.761 -3.167 11.317 1.00 0.00 N ATOM 773 CA GLY A 69 -9.587 -2.701 10.601 1.00 0.00 C ATOM 774 C GLY A 69 -8.447 -3.701 10.645 1.00 0.00 C ATOM 775 O GLY A 69 -8.662 -4.904 10.512 1.00 0.00 O ATOM 0 H GLY A 69 -10.566 -3.600 12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.853 -2.503 9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.254 -1.756 11.030 1.00 0.00 H new ATOM 779 N GLY A 70 -7.231 -3.201 10.841 1.00 0.00 N ATOM 780 CA GLY A 70 -6.072 -4.072 10.899 1.00 0.00 C ATOM 781 C GLY A 70 -4.990 -3.537 11.818 1.00 0.00 C ATOM 782 O GLY A 70 -5.066 -2.394 12.270 1.00 0.00 O ATOM 0 H GLY A 70 -7.028 -2.209 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.380 -5.060 11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.664 -4.196 9.896 1.00 0.00 H new ATOM 786 N PRO A 71 -3.960 -4.349 12.118 1.00 0.00 N ATOM 787 CA PRO A 71 -2.860 -3.937 13.004 1.00 0.00 C ATOM 788 C PRO A 71 -1.936 -2.921 12.333 1.00 0.00 C ATOM 789 O PRO A 71 -1.296 -2.116 13.010 1.00 0.00 O ATOM 790 CB PRO A 71 -2.113 -5.245 13.263 1.00 0.00 C ATOM 791 CG PRO A 71 -2.401 -6.094 12.073 1.00 0.00 C ATOM 792 CD PRO A 71 -3.789 -5.729 11.625 1.00 0.00 C ATOM 0 HA PRO A 71 -3.219 -3.448 13.909 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.043 -5.073 13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.457 -5.721 14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.675 -5.912 11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.339 -7.153 12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.888 -5.783 10.541 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.536 -6.401 12.047 1.00 0.00 H new ATOM 800 N TRP A 72 -1.870 -2.963 11.006 1.00 0.00 N ATOM 801 CA TRP A 72 -1.023 -2.041 10.264 1.00 0.00 C ATOM 802 C TRP A 72 -1.420 -0.591 10.518 1.00 0.00 C ATOM 803 O TRP A 72 -0.623 0.325 10.320 1.00 0.00 O ATOM 804 CB TRP A 72 -1.106 -2.342 8.757 1.00 0.00 C ATOM 805 CG TRP A 72 -0.187 -1.497 7.930 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.178 -1.488 7.971 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.565 -0.537 6.937 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.671 -0.580 7.065 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.622 0.017 6.417 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.791 -0.089 6.444 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.616 0.991 5.423 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.795 0.878 5.456 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.598 1.409 4.951 1.00 0.00 C ATOM 0 H TRP A 72 -2.390 -3.622 10.427 1.00 0.00 H new ATOM 0 HA TRP A 72 0.001 -2.180 10.610 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.870 -3.393 8.590 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.131 -2.189 8.419 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.782 -2.104 8.621 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.658 -0.382 6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.718 -0.490 6.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.537 1.402 5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.738 1.232 5.065 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.636 2.161 4.176 1.00 0.00 H new ATOM 824 N ASP A 73 -2.653 -0.386 10.978 1.00 0.00 N ATOM 825 CA ASP A 73 -3.148 0.956 11.269 1.00 0.00 C ATOM 826 C ASP A 73 -2.198 1.693 12.209 1.00 0.00 C ATOM 827 O ASP A 73 -1.947 2.887 12.043 1.00 0.00 O ATOM 828 CB ASP A 73 -4.546 0.884 11.896 1.00 0.00 C ATOM 829 CG ASP A 73 -5.115 2.256 12.194 1.00 0.00 C ATOM 830 OD1 ASP A 73 -4.486 2.998 12.977 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.190 2.587 11.653 1.00 0.00 O ATOM 0 H ASP A 73 -3.326 -1.132 11.157 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.205 1.506 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.218 0.354 11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.499 0.305 12.818 1.00 0.00 H new ATOM 836 N SER A 74 -1.671 0.973 13.194 1.00 0.00 N ATOM 837 CA SER A 74 -0.745 1.560 14.155 1.00 0.00 C ATOM 838 C SER A 74 0.505 2.085 13.464 1.00 0.00 C ATOM 839 O SER A 74 1.211 2.942 13.987 1.00 0.00 O ATOM 840 CB SER A 74 -0.357 0.530 15.218 1.00 0.00 C ATOM 841 OG SER A 74 -0.037 1.159 16.447 1.00 0.00 O ATOM 0 H SER A 74 -1.869 -0.016 13.347 1.00 0.00 H new ATOM 0 HA SER A 74 -1.250 2.398 14.635 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.179 -0.170 15.368 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.497 -0.051 14.871 1.00 0.00 H new ATOM 0 HG SER A 74 0.206 0.479 17.109 1.00 0.00 H new ATOM 847 N VAL A 75 0.770 1.567 12.262 1.00 0.00 N ATOM 848 CA VAL A 75 1.931 1.984 11.487 1.00 0.00 C ATOM 849 C VAL A 75 1.561 3.088 10.503 1.00 0.00 C ATOM 850 O VAL A 75 1.975 4.236 10.661 1.00 0.00 O ATOM 851 CB VAL A 75 2.545 0.801 10.720 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.828 1.223 10.014 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.799 -0.375 11.645 1.00 0.00 C ATOM 0 H VAL A 75 0.194 0.858 11.808 1.00 0.00 H new ATOM 0 HA VAL A 75 2.669 2.366 12.193 1.00 0.00 H new ATOM 0 HB VAL A 75 1.829 0.482 9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.245 0.371 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.608 2.024 9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.549 1.577 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.233 -1.198 11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.489 -0.075 12.434 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.858 -0.698 12.089 1.00 0.00 H new ATOM 863 N ALA A 76 0.779 2.735 9.489 1.00 0.00 N ATOM 864 CA ALA A 76 0.352 3.698 8.481 1.00 0.00 C ATOM 865 C ALA A 76 -1.155 3.636 8.276 1.00 0.00 C ATOM 866 O ALA A 76 -1.828 2.738 8.775 1.00 0.00 O ATOM 867 CB ALA A 76 1.087 3.452 7.171 1.00 0.00 C ATOM 0 H ALA A 76 0.428 1.789 9.343 1.00 0.00 H new ATOM 0 HA ALA A 76 0.601 4.699 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.758 4.178 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.160 3.557 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.870 2.445 6.815 1.00 0.00 H new ATOM 873 N ARG A 77 -1.683 4.596 7.515 1.00 0.00 N ATOM 874 CA ARG A 77 -3.113 4.648 7.244 1.00 0.00 C ATOM 875 C ARG A 77 -3.384 5.290 5.888 1.00 0.00 C ATOM 876 O ARG A 77 -2.632 6.152 5.427 1.00 0.00 O ATOM 877 CB ARG A 77 -3.838 5.424 8.338 1.00 0.00 C ATOM 878 CG ARG A 77 -5.340 5.193 8.357 1.00 0.00 C ATOM 879 CD ARG A 77 -5.779 4.499 9.625 1.00 0.00 C ATOM 880 NE ARG A 77 -6.944 3.644 9.409 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.932 2.551 8.650 1.00 0.00 C ATOM 882 NH1 ARG A 77 -5.818 2.172 8.037 1.00 0.00 N ATOM 883 NH2 ARG A 77 -8.038 1.834 8.503 1.00 0.00 N ATOM 0 H ARG A 77 -1.142 5.343 7.079 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.489 3.625 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.424 5.143 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.645 6.488 8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.857 6.148 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.627 4.592 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.956 3.898 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.014 5.246 10.384 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.819 3.900 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.964 2.719 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.815 1.333 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.898 2.120 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.029 0.996 7.921 1.00 0.00 H new ATOM 897 N VAL A 78 -4.465 4.861 5.244 1.00 0.00 N ATOM 898 CA VAL A 78 -4.839 5.390 3.930 1.00 0.00 C ATOM 899 C VAL A 78 -5.586 6.713 4.063 1.00 0.00 C ATOM 900 O VAL A 78 -6.431 6.874 4.952 1.00 0.00 O ATOM 901 CB VAL A 78 -5.723 4.394 3.153 1.00 0.00 C ATOM 902 CG1 VAL A 78 -5.893 4.843 1.709 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.134 2.992 3.219 1.00 0.00 C ATOM 0 H VAL A 78 -5.099 4.149 5.607 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.912 5.550 3.379 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.708 4.371 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.520 4.127 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.365 5.825 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.917 4.898 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.772 2.303 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.136 2.996 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.072 2.672 4.259 1.00 0.00 H new ATOM 913 N LEU A 79 -5.268 7.659 3.183 1.00 0.00 N ATOM 914 CA LEU A 79 -5.910 8.968 3.212 1.00 0.00 C ATOM 915 C LEU A 79 -7.246 8.932 2.466 1.00 0.00 C ATOM 916 O LEU A 79 -7.421 8.162 1.528 1.00 0.00 O ATOM 917 CB LEU A 79 -4.996 10.020 2.574 1.00 0.00 C ATOM 918 CG LEU A 79 -3.894 10.550 3.500 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.738 9.564 3.565 1.00 0.00 C ATOM 920 CD2 LEU A 79 -3.408 11.909 3.010 1.00 0.00 C ATOM 0 H LEU A 79 -4.573 7.544 2.445 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.095 9.233 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.532 9.590 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.607 10.859 2.239 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.304 10.666 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.964 9.954 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.096 8.609 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.325 9.422 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.626 12.277 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.010 11.811 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.240 12.613 3.005 1.00 0.00 H new ATOM 932 N PRO A 80 -8.210 9.770 2.891 1.00 0.00 N ATOM 933 CA PRO A 80 -9.538 9.832 2.276 1.00 0.00 C ATOM 934 C PRO A 80 -9.467 9.964 0.750 1.00 0.00 C ATOM 935 O PRO A 80 -10.399 9.582 0.042 1.00 0.00 O ATOM 936 CB PRO A 80 -10.158 11.086 2.886 1.00 0.00 C ATOM 937 CG PRO A 80 -9.482 11.232 4.205 1.00 0.00 C ATOM 938 CD PRO A 80 -8.080 10.721 4.020 1.00 0.00 C ATOM 0 HA PRO A 80 -10.112 8.924 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.990 11.959 2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.237 10.979 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.477 12.274 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.004 10.664 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.385 11.528 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.709 10.229 4.919 1.00 0.00 H new ATOM 946 N ASN A 81 -8.358 10.505 0.254 1.00 0.00 N ATOM 947 CA ASN A 81 -8.174 10.683 -1.166 1.00 0.00 C ATOM 948 C ASN A 81 -7.604 9.422 -1.817 1.00 0.00 C ATOM 949 O ASN A 81 -7.244 9.433 -2.994 1.00 0.00 O ATOM 950 CB ASN A 81 -7.247 11.869 -1.437 1.00 0.00 C ATOM 951 CG ASN A 81 -5.904 11.723 -0.749 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.620 10.698 -0.129 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.071 12.752 -0.855 1.00 0.00 N ATOM 0 H ASN A 81 -7.576 10.826 0.824 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.152 10.881 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.093 11.968 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.728 12.787 -1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.153 12.713 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.349 13.582 -1.379 1.00 0.00 H new ATOM 960 N GLY A 82 -7.524 8.337 -1.049 1.00 0.00 N ATOM 961 CA GLY A 82 -6.997 7.094 -1.588 1.00 0.00 C ATOM 962 C GLY A 82 -5.483 7.092 -1.649 1.00 0.00 C ATOM 963 O GLY A 82 -4.899 6.565 -2.597 1.00 0.00 O ATOM 0 H GLY A 82 -7.812 8.296 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.335 6.261 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.399 6.934 -2.588 1.00 0.00 H new ATOM 967 N SER A 83 -4.845 7.683 -0.652 1.00 0.00 N ATOM 968 CA SER A 83 -3.389 7.748 -0.604 1.00 0.00 C ATOM 969 C SER A 83 -2.845 6.952 0.569 1.00 0.00 C ATOM 970 O SER A 83 -3.596 6.278 1.275 1.00 0.00 O ATOM 971 CB SER A 83 -2.924 9.202 -0.503 1.00 0.00 C ATOM 972 OG SER A 83 -1.580 9.338 -0.929 1.00 0.00 O ATOM 0 H SER A 83 -5.312 8.127 0.139 1.00 0.00 H new ATOM 0 HA SER A 83 -3.004 7.311 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.568 9.836 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.019 9.547 0.527 1.00 0.00 H new ATOM 0 HG SER A 83 -1.256 10.236 -0.709 1.00 0.00 H new ATOM 978 N LEU A 84 -1.536 7.035 0.778 1.00 0.00 N ATOM 979 CA LEU A 84 -0.889 6.323 1.874 1.00 0.00 C ATOM 980 C LEU A 84 0.141 7.209 2.565 1.00 0.00 C ATOM 981 O LEU A 84 0.889 7.933 1.909 1.00 0.00 O ATOM 982 CB LEU A 84 -0.216 5.049 1.358 1.00 0.00 C ATOM 983 CG LEU A 84 -0.318 3.844 2.295 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.548 3.014 1.965 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.941 2.995 2.216 1.00 0.00 C ATOM 0 H LEU A 84 -0.901 7.589 0.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.656 6.052 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.660 4.784 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.837 5.260 1.174 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.417 4.211 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.604 2.161 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.442 3.627 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.481 2.658 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.848 2.143 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.075 2.637 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.803 3.595 2.506 1.00 0.00 H new ATOM 997 N PHE A 85 0.174 7.144 3.891 1.00 0.00 N ATOM 998 CA PHE A 85 1.115 7.938 4.675 1.00 0.00 C ATOM 999 C PHE A 85 1.747 7.090 5.775 1.00 0.00 C ATOM 1000 O PHE A 85 1.044 6.461 6.567 1.00 0.00 O ATOM 1001 CB PHE A 85 0.406 9.152 5.283 1.00 0.00 C ATOM 1002 CG PHE A 85 1.257 9.939 6.241 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.591 10.189 5.961 1.00 0.00 C ATOM 1004 CD2 PHE A 85 0.721 10.429 7.421 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.375 10.912 6.841 1.00 0.00 C ATOM 1006 CE2 PHE A 85 1.500 11.152 8.312 1.00 0.00 C ATOM 1007 CZ PHE A 85 2.829 11.395 8.014 1.00 0.00 C ATOM 0 H PHE A 85 -0.440 6.549 4.447 1.00 0.00 H new ATOM 0 HA PHE A 85 1.906 8.288 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.079 9.810 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.491 8.814 5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.023 9.815 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.318 10.245 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.414 11.099 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.072 11.523 9.232 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.440 11.963 8.700 1.00 0.00 H new ATOM 1017 N LEU A 86 3.077 7.076 5.822 1.00 0.00 N ATOM 1018 CA LEU A 86 3.795 6.303 6.829 1.00 0.00 C ATOM 1019 C LEU A 86 4.633 7.220 7.723 1.00 0.00 C ATOM 1020 O LEU A 86 5.496 7.948 7.234 1.00 0.00 O ATOM 1021 CB LEU A 86 4.697 5.264 6.157 1.00 0.00 C ATOM 1022 CG LEU A 86 4.179 3.825 6.213 1.00 0.00 C ATOM 1023 CD1 LEU A 86 5.089 2.899 5.428 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.066 3.356 7.655 1.00 0.00 C ATOM 0 H LEU A 86 3.677 7.590 5.176 1.00 0.00 H new ATOM 0 HA LEU A 86 3.061 5.790 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.834 5.545 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.680 5.299 6.628 1.00 0.00 H new ATOM 0 HG LEU A 86 3.188 3.800 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.704 1.881 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.125 3.221 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.093 2.929 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.696 2.331 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.047 3.398 8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.374 4.003 8.195 1.00 0.00 H new ATOM 1036 N PRO A 87 4.393 7.201 9.049 1.00 0.00 N ATOM 1037 CA PRO A 87 5.139 8.038 9.994 1.00 0.00 C ATOM 1038 C PRO A 87 6.636 7.749 9.958 1.00 0.00 C ATOM 1039 O PRO A 87 7.458 8.659 10.053 1.00 0.00 O ATOM 1040 CB PRO A 87 4.557 7.658 11.361 1.00 0.00 C ATOM 1041 CG PRO A 87 3.233 7.044 11.068 1.00 0.00 C ATOM 1042 CD PRO A 87 3.385 6.369 9.736 1.00 0.00 C ATOM 0 HA PRO A 87 5.041 9.098 9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.208 6.958 11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.451 8.534 12.001 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.954 6.328 11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.449 7.800 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.720 5.337 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.443 6.343 9.188 1.00 0.00 H new ATOM 1050 N ALA A 88 6.980 6.473 9.817 1.00 0.00 N ATOM 1051 CA ALA A 88 8.376 6.058 9.766 1.00 0.00 C ATOM 1052 C ALA A 88 8.573 4.929 8.768 1.00 0.00 C ATOM 1053 O ALA A 88 8.354 3.758 9.075 1.00 0.00 O ATOM 1054 CB ALA A 88 8.852 5.630 11.145 1.00 0.00 C ATOM 0 H ALA A 88 6.310 5.708 9.736 1.00 0.00 H new ATOM 0 HA ALA A 88 8.970 6.911 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.896 5.323 11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.755 6.465 11.839 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.246 4.795 11.496 1.00 0.00 H new ATOM 1060 N VAL A 89 8.987 5.287 7.550 1.00 0.00 N ATOM 1061 CA VAL A 89 9.214 4.306 6.504 1.00 0.00 C ATOM 1062 C VAL A 89 10.558 3.612 6.671 1.00 0.00 C ATOM 1063 O VAL A 89 11.609 4.250 6.610 1.00 0.00 O ATOM 1064 CB VAL A 89 9.165 4.961 5.102 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.200 3.902 4.010 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.930 5.841 4.967 1.00 0.00 C ATOM 0 H VAL A 89 9.170 6.251 7.271 1.00 0.00 H new ATOM 0 HA VAL A 89 8.416 3.568 6.591 1.00 0.00 H new ATOM 0 HB VAL A 89 10.047 5.591 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.165 4.385 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.119 3.322 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.341 3.239 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.912 6.293 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.035 5.235 5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.958 6.626 5.723 1.00 0.00 H new ATOM 1076 N GLY A 90 10.520 2.301 6.893 1.00 0.00 N ATOM 1077 CA GLY A 90 11.745 1.546 7.075 1.00 0.00 C ATOM 1078 C GLY A 90 11.682 0.172 6.438 1.00 0.00 C ATOM 1079 O GLY A 90 11.070 -0.005 5.385 1.00 0.00 O ATOM 0 H GLY A 90 9.664 1.750 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.578 2.103 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.947 1.440 8.141 1.00 0.00 H new ATOM 1083 N ILE A 91 12.321 -0.801 7.078 1.00 0.00 N ATOM 1084 CA ILE A 91 12.342 -2.170 6.571 1.00 0.00 C ATOM 1085 C ILE A 91 10.930 -2.710 6.367 1.00 0.00 C ATOM 1086 O ILE A 91 10.696 -3.550 5.498 1.00 0.00 O ATOM 1087 CB ILE A 91 13.104 -3.110 7.532 1.00 0.00 C ATOM 1088 CG1 ILE A 91 12.625 -2.911 8.963 1.00 0.00 C ATOM 1089 CG2 ILE A 91 14.603 -2.871 7.419 1.00 0.00 C ATOM 1090 CD1 ILE A 91 12.682 -4.171 9.799 1.00 0.00 C ATOM 0 H ILE A 91 12.832 -0.668 7.950 1.00 0.00 H new ATOM 0 HA ILE A 91 12.856 -2.142 5.610 1.00 0.00 H new ATOM 0 HB ILE A 91 12.900 -4.143 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.234 -2.142 9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.600 -2.541 8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.130 -3.539 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.927 -3.067 6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.827 -1.836 7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.326 -3.956 10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.051 -4.936 9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.710 -4.530 9.846 1.00 0.00 H new ATOM 1102 N GLN A 92 9.993 -2.223 7.173 1.00 0.00 N ATOM 1103 CA GLN A 92 8.605 -2.658 7.081 1.00 0.00 C ATOM 1104 C GLN A 92 7.965 -2.192 5.784 1.00 0.00 C ATOM 1105 O GLN A 92 6.995 -2.785 5.312 1.00 0.00 O ATOM 1106 CB GLN A 92 7.803 -2.127 8.280 1.00 0.00 C ATOM 1107 CG GLN A 92 8.416 -2.470 9.619 1.00 0.00 C ATOM 1108 CD GLN A 92 9.028 -1.265 10.306 1.00 0.00 C ATOM 1109 OE1 GLN A 92 9.860 -0.563 9.729 1.00 0.00 O ATOM 1110 NE2 GLN A 92 8.620 -1.019 11.545 1.00 0.00 N ATOM 0 H GLN A 92 10.170 -1.527 7.897 1.00 0.00 H new ATOM 0 HA GLN A 92 8.594 -3.748 7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.716 -1.044 8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.792 -2.532 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.651 -2.902 10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.183 -3.232 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.929 -1.627 11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.998 -0.222 12.058 1.00 0.00 H new ATOM 1119 N ASP A 93 8.510 -1.125 5.198 1.00 0.00 N ATOM 1120 CA ASP A 93 7.987 -0.583 3.949 1.00 0.00 C ATOM 1121 C ASP A 93 8.687 -1.196 2.748 1.00 0.00 C ATOM 1122 O ASP A 93 8.131 -1.230 1.643 1.00 0.00 O ATOM 1123 CB ASP A 93 8.145 0.938 3.925 1.00 0.00 C ATOM 1124 CG ASP A 93 7.179 1.604 2.972 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.956 1.528 3.212 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.648 2.201 1.973 1.00 0.00 O ATOM 0 H ASP A 93 9.314 -0.620 5.571 1.00 0.00 H new ATOM 0 HA ASP A 93 6.928 -0.835 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.990 1.332 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.166 1.190 3.638 1.00 0.00 H new ATOM 1131 N GLU A 94 9.911 -1.680 2.943 1.00 0.00 N ATOM 1132 CA GLU A 94 10.682 -2.288 1.863 1.00 0.00 C ATOM 1133 C GLU A 94 9.891 -3.402 1.185 1.00 0.00 C ATOM 1134 O GLU A 94 8.795 -3.756 1.628 1.00 0.00 O ATOM 1135 CB GLU A 94 12.003 -2.844 2.404 1.00 0.00 C ATOM 1136 CG GLU A 94 12.947 -1.774 2.918 1.00 0.00 C ATOM 1137 CD GLU A 94 14.336 -2.314 3.199 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.577 -2.771 4.335 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.183 -2.278 2.281 1.00 0.00 O ATOM 0 H GLU A 94 10.391 -1.663 3.843 1.00 0.00 H new ATOM 0 HA GLU A 94 10.893 -1.516 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.789 -3.546 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.501 -3.407 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.014 -0.970 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.538 -1.340 3.830 1.00 0.00 H new ATOM 1146 N GLY A 95 10.459 -3.952 0.118 1.00 0.00 N ATOM 1147 CA GLY A 95 9.796 -5.022 -0.590 1.00 0.00 C ATOM 1148 C GLY A 95 8.970 -4.510 -1.760 1.00 0.00 C ATOM 1149 O GLY A 95 9.313 -3.502 -2.370 1.00 0.00 O ATOM 0 H GLY A 95 11.363 -3.675 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.540 -5.730 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.150 -5.566 0.099 1.00 0.00 H new ATOM 1153 N ILE A 96 7.878 -5.205 -2.051 1.00 0.00 N ATOM 1154 CA ILE A 96 7.002 -4.815 -3.147 1.00 0.00 C ATOM 1155 C ILE A 96 5.559 -4.671 -2.674 1.00 0.00 C ATOM 1156 O ILE A 96 4.977 -5.608 -2.129 1.00 0.00 O ATOM 1157 CB ILE A 96 7.050 -5.839 -4.297 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.501 -6.164 -4.659 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.300 -5.309 -5.510 1.00 0.00 C ATOM 1160 CD1 ILE A 96 9.017 -7.430 -4.009 1.00 0.00 C ATOM 0 H ILE A 96 7.579 -6.039 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 96 7.362 -3.852 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 96 6.564 -6.757 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.584 -6.261 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.136 -5.329 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.343 -6.044 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.260 -5.124 -5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.759 -4.379 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.051 -7.598 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.966 -7.329 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.406 -8.276 -4.323 1.00 0.00 H new ATOM 1172 N PHE A 97 4.989 -3.489 -2.886 1.00 0.00 N ATOM 1173 CA PHE A 97 3.613 -3.220 -2.483 1.00 0.00 C ATOM 1174 C PHE A 97 2.682 -3.253 -3.691 1.00 0.00 C ATOM 1175 O PHE A 97 3.111 -3.025 -4.822 1.00 0.00 O ATOM 1176 CB PHE A 97 3.520 -1.862 -1.786 1.00 0.00 C ATOM 1177 CG PHE A 97 3.993 -1.886 -0.368 1.00 0.00 C ATOM 1178 CD1 PHE A 97 5.226 -2.431 -0.035 1.00 0.00 C ATOM 1179 CD2 PHE A 97 3.207 -1.363 0.638 1.00 0.00 C ATOM 1180 CE1 PHE A 97 5.663 -2.454 1.261 1.00 0.00 C ATOM 1181 CE2 PHE A 97 3.640 -1.385 1.950 1.00 0.00 C ATOM 1182 CZ PHE A 97 4.869 -1.930 2.262 1.00 0.00 C ATOM 0 H PHE A 97 5.458 -2.702 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 97 3.303 -3.997 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.109 -1.135 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.485 -1.520 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.851 -2.844 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.246 -0.933 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.626 -2.881 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.017 -0.976 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.209 -1.947 3.287 1.00 0.00 H new ATOM 1192 N ARG A 98 1.408 -3.541 -3.446 1.00 0.00 N ATOM 1193 CA ARG A 98 0.423 -3.604 -4.518 1.00 0.00 C ATOM 1194 C ARG A 98 -0.931 -3.080 -4.053 1.00 0.00 C ATOM 1195 O ARG A 98 -1.292 -3.211 -2.892 1.00 0.00 O ATOM 1196 CB ARG A 98 0.280 -5.042 -5.021 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.651 -5.178 -6.214 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.976 -6.635 -6.506 1.00 0.00 C ATOM 1199 NE ARG A 98 -2.382 -6.823 -6.860 1.00 0.00 N ATOM 1200 CZ ARG A 98 -3.007 -7.997 -6.805 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -2.354 -9.091 -6.431 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -4.290 -8.079 -7.140 1.00 0.00 N ATOM 0 H ARG A 98 1.035 -3.734 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 98 0.773 -2.971 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.264 -5.423 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.090 -5.667 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.573 -4.630 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.189 -4.725 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.346 -6.990 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.738 -7.242 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.914 -6.009 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.366 -9.036 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.840 -9.987 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.794 -7.244 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.771 -8.977 -7.099 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.678 -2.489 -4.981 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.996 -1.946 -4.673 1.00 0.00 C ATOM 1218 C CYS A 99 -4.093 -2.825 -5.265 1.00 0.00 C ATOM 1219 O CYS A 99 -3.874 -3.527 -6.260 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.122 -0.517 -5.206 1.00 0.00 C ATOM 1221 SG CYS A 99 -2.956 0.770 -3.936 1.00 0.00 S ATOM 0 H CYS A 99 -1.392 -2.374 -5.953 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.113 -1.929 -3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.361 -0.358 -5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.091 -0.407 -5.694 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.273 -2.785 -4.654 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.401 -3.580 -5.128 1.00 0.00 C ATOM 1228 C GLN A 100 -7.718 -3.013 -4.608 1.00 0.00 C ATOM 1229 O GLN A 100 -7.910 -2.867 -3.393 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.245 -5.035 -4.680 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.604 -6.045 -5.751 1.00 0.00 C ATOM 1232 CD GLN A 100 -7.947 -6.704 -5.509 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -8.915 -6.046 -5.125 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -8.015 -8.010 -5.734 1.00 0.00 N ATOM 0 H GLN A 100 -5.473 -2.213 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.414 -3.541 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.214 -5.201 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.874 -5.206 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.617 -5.549 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.831 -6.812 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.189 -8.517 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.894 -8.507 -5.589 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.623 -2.698 -5.519 1.00 0.00 N ATOM 1244 CA ALA A 101 -9.923 -2.151 -5.164 1.00 0.00 C ATOM 1245 C ALA A 101 -11.045 -3.092 -5.584 1.00 0.00 C ATOM 1246 O ALA A 101 -10.856 -3.952 -6.435 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.114 -0.781 -5.800 1.00 0.00 C ATOM 0 H ALA A 101 -8.479 -2.813 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.960 -2.042 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.092 -0.385 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.336 -0.104 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.051 -0.871 -6.884 1.00 0.00 H new ATOM 1253 N MET A 102 -12.212 -2.926 -4.965 1.00 0.00 N ATOM 1254 CA MET A 102 -13.360 -3.766 -5.282 1.00 0.00 C ATOM 1255 C MET A 102 -14.619 -2.922 -5.450 1.00 0.00 C ATOM 1256 O MET A 102 -15.116 -2.332 -4.490 1.00 0.00 O ATOM 1257 CB MET A 102 -13.571 -4.811 -4.192 1.00 0.00 C ATOM 1258 CG MET A 102 -14.758 -5.729 -4.434 1.00 0.00 C ATOM 1259 SD MET A 102 -14.269 -7.330 -5.107 1.00 0.00 S ATOM 1260 CE MET A 102 -13.102 -6.826 -6.369 1.00 0.00 C ATOM 0 H MET A 102 -12.385 -2.223 -4.247 1.00 0.00 H new ATOM 0 HA MET A 102 -13.158 -4.275 -6.224 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.669 -5.417 -4.105 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.707 -4.303 -3.238 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.293 -5.881 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 102 -15.452 -5.246 -5.122 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.914 -7.660 -7.045 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.514 -5.989 -6.932 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.167 -6.522 -5.899 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.131 -2.871 -6.675 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.334 -2.102 -6.976 1.00 0.00 C ATOM 1272 C ASN A 103 -17.572 -2.989 -6.908 1.00 0.00 C ATOM 1273 O ASN A 103 -17.481 -4.177 -6.594 1.00 0.00 O ATOM 1274 CB ASN A 103 -16.229 -1.455 -8.351 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.885 -0.090 -8.399 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -17.247 0.476 -7.367 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -17.044 0.450 -9.603 1.00 0.00 N ATOM 0 H ASN A 103 -14.730 -3.355 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.427 -1.316 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.178 -1.360 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.695 -2.105 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.480 1.367 -9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.730 -0.053 -10.433 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.729 -2.402 -7.185 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.986 -3.140 -7.155 1.00 0.00 C ATOM 1286 C ARG A 104 -19.963 -4.302 -8.143 1.00 0.00 C ATOM 1287 O ARG A 104 -20.633 -5.315 -7.948 1.00 0.00 O ATOM 1288 CB ARG A 104 -21.156 -2.206 -7.475 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.446 -1.198 -6.374 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.364 -0.088 -6.861 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.892 1.232 -6.449 1.00 0.00 N ATOM 1292 CZ ARG A 104 -22.054 1.727 -5.232 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -22.675 1.017 -4.289 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -21.593 2.936 -4.933 1.00 0.00 N ATOM 0 H ARG A 104 -18.824 -1.417 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 104 -20.115 -3.546 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.941 -1.670 -8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -22.050 -2.804 -7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.906 -1.706 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.510 -0.767 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.433 -0.125 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.369 -0.252 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 104 -21.409 1.806 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.029 0.085 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -22.795 1.406 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -21.111 3.488 -5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -21.721 3.313 -3.994 1.00 0.00 H new ATOM 1308 N ASN A 105 -19.187 -4.152 -9.220 1.00 0.00 N ATOM 1309 CA ASN A 105 -19.077 -5.191 -10.229 1.00 0.00 C ATOM 1310 C ASN A 105 -17.881 -6.102 -9.968 1.00 0.00 C ATOM 1311 O ASN A 105 -17.841 -7.240 -10.426 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.949 -4.562 -11.618 1.00 0.00 C ATOM 1313 CG ASN A 105 -20.121 -3.662 -11.955 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -21.195 -4.133 -12.336 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -19.919 -2.356 -11.832 1.00 0.00 N ATOM 0 H ASN A 105 -18.629 -3.319 -9.409 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.982 -5.796 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.025 -3.986 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.874 -5.351 -12.366 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.668 -1.701 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.015 -2.008 -11.513 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.910 -5.596 -9.206 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.731 -6.381 -8.891 1.00 0.00 C ATOM 1324 C GLY A 106 -14.513 -5.942 -9.679 1.00 0.00 C ATOM 1325 O GLY A 106 -13.795 -6.771 -10.248 1.00 0.00 O ATOM 0 H GLY A 106 -16.921 -4.659 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.519 -6.300 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.933 -7.432 -9.096 1.00 0.00 H new ATOM 1329 N LYS A 107 -14.279 -4.634 -9.721 1.00 0.00 N ATOM 1330 CA LYS A 107 -13.139 -4.083 -10.446 1.00 0.00 C ATOM 1331 C LYS A 107 -11.973 -3.807 -9.501 1.00 0.00 C ATOM 1332 O LYS A 107 -12.159 -3.267 -8.411 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.547 -2.797 -11.170 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.386 -2.080 -11.848 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.872 -1.069 -12.865 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.730 -0.212 -13.396 1.00 0.00 C ATOM 1337 NZ LYS A 107 -12.142 0.617 -14.564 1.00 0.00 N ATOM 0 H LYS A 107 -14.864 -3.936 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.814 -4.819 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.302 -3.036 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.012 -2.120 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.779 -1.577 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.743 -2.811 -12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.353 -1.589 -13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.627 -0.428 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.367 0.439 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.899 -0.856 -13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.333 1.183 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.464 -0.004 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.917 1.251 -14.283 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.770 -4.181 -9.936 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.571 -3.975 -9.121 1.00 0.00 C ATOM 1353 C GLU A 108 -8.482 -3.276 -9.931 1.00 0.00 C ATOM 1354 O GLU A 108 -8.392 -3.449 -11.147 1.00 0.00 O ATOM 1355 CB GLU A 108 -9.051 -5.313 -8.600 1.00 0.00 C ATOM 1356 CG GLU A 108 -9.000 -6.406 -9.647 1.00 0.00 C ATOM 1357 CD GLU A 108 -8.792 -7.784 -9.049 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -7.623 -8.169 -8.835 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -9.799 -8.477 -8.793 1.00 0.00 O ATOM 0 H GLU A 108 -10.599 -4.624 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.837 -3.341 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.051 -5.168 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.686 -5.642 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.928 -6.399 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.193 -6.194 -10.348 1.00 0.00 H new ATOM 1366 N THR A 109 -7.658 -2.487 -9.256 1.00 0.00 N ATOM 1367 CA THR A 109 -6.576 -1.762 -9.906 1.00 0.00 C ATOM 1368 C THR A 109 -5.237 -2.455 -9.674 1.00 0.00 C ATOM 1369 O THR A 109 -4.875 -2.767 -8.548 1.00 0.00 O ATOM 1370 CB THR A 109 -6.514 -0.322 -9.395 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.346 0.327 -9.866 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.519 -0.221 -7.885 1.00 0.00 C ATOM 0 H THR A 109 -7.720 -2.332 -8.250 1.00 0.00 H new ATOM 0 HA THR A 109 -6.777 -1.750 -10.977 1.00 0.00 H new ATOM 0 HB THR A 109 -7.414 0.159 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.325 1.247 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.473 0.827 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.432 -0.669 -7.493 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.655 -0.749 -7.482 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.504 -2.691 -10.758 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.204 -3.345 -10.674 1.00 0.00 C ATOM 1382 C LYS A 110 -2.077 -2.317 -10.684 1.00 0.00 C ATOM 1383 O LYS A 110 -1.937 -1.537 -11.618 1.00 0.00 O ATOM 1384 CB LYS A 110 -3.025 -4.323 -11.839 1.00 0.00 C ATOM 1385 CG LYS A 110 -3.090 -5.783 -11.422 1.00 0.00 C ATOM 1386 CD LYS A 110 -2.061 -6.622 -12.163 1.00 0.00 C ATOM 1387 CE LYS A 110 -2.516 -8.064 -12.307 1.00 0.00 C ATOM 1388 NZ LYS A 110 -2.146 -8.635 -13.631 1.00 0.00 N ATOM 0 H LYS A 110 -4.789 -2.439 -11.704 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.163 -3.896 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.797 -4.132 -12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.065 -4.133 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.921 -5.863 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.088 -6.174 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.885 -6.195 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.112 -6.591 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.070 -8.666 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.597 -8.118 -12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.475 -9.620 -13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.592 -8.077 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.113 -8.608 -13.744 1.00 0.00 H new ATOM 1402 N SER A 111 -1.276 -2.321 -9.615 1.00 0.00 N ATOM 1403 CA SER A 111 -0.162 -1.388 -9.495 1.00 0.00 C ATOM 1404 C SER A 111 0.827 -1.860 -8.435 1.00 0.00 C ATOM 1405 O SER A 111 0.526 -1.852 -7.242 1.00 0.00 O ATOM 1406 CB SER A 111 -0.675 0.010 -9.145 1.00 0.00 C ATOM 1407 OG SER A 111 -1.939 0.254 -9.737 1.00 0.00 O ATOM 0 H SER A 111 -1.381 -2.958 -8.826 1.00 0.00 H new ATOM 0 HA SER A 111 0.352 -1.347 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.752 0.112 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.040 0.759 -9.486 1.00 0.00 H new ATOM 0 HG SER A 111 -1.932 -0.061 -10.665 1.00 0.00 H new ATOM 1413 N ASN A 112 2.012 -2.270 -8.879 1.00 0.00 N ATOM 1414 CA ASN A 112 3.047 -2.744 -7.976 1.00 0.00 C ATOM 1415 C ASN A 112 4.187 -1.737 -7.876 1.00 0.00 C ATOM 1416 O ASN A 112 4.778 -1.350 -8.884 1.00 0.00 O ATOM 1417 CB ASN A 112 3.584 -4.099 -8.437 1.00 0.00 C ATOM 1418 CG ASN A 112 2.965 -5.259 -7.681 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.166 -5.408 -6.484 1.00 0.00 O ATOM 1420 ND2 ASN A 112 2.209 -6.090 -8.389 1.00 0.00 N ATOM 0 H ASN A 112 2.276 -2.282 -9.864 1.00 0.00 H new ATOM 0 HA ASN A 112 2.601 -2.860 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.389 -4.219 -9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.666 -4.121 -8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 112 1.769 -6.891 -7.936 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.068 -5.927 -9.386 1.00 0.00 H new ATOM 1427 N TYR A 113 4.491 -1.314 -6.645 1.00 0.00 N ATOM 1428 CA TYR A 113 5.560 -0.349 -6.420 1.00 0.00 C ATOM 1429 C TYR A 113 6.672 -0.961 -5.567 1.00 0.00 C ATOM 1430 O TYR A 113 6.418 -1.521 -4.508 1.00 0.00 O ATOM 1431 CB TYR A 113 5.011 0.902 -5.719 1.00 0.00 C ATOM 1432 CG TYR A 113 3.642 1.321 -6.216 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.307 1.239 -7.554 1.00 0.00 C ATOM 1434 CD2 TYR A 113 2.683 1.797 -5.321 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.057 1.620 -8.003 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.431 2.180 -5.772 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.123 2.090 -7.112 1.00 0.00 C ATOM 1438 OH TYR A 113 -0.122 2.470 -7.556 1.00 0.00 O ATOM 0 H TYR A 113 4.014 -1.624 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 113 5.970 -0.070 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.958 0.714 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.709 1.726 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.035 0.871 -8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.919 1.867 -4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.815 1.548 -9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.695 2.550 -5.073 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.758 2.441 -6.811 1.00 0.00 H new ATOM 1448 N ARG A 114 7.906 -0.847 -6.056 1.00 0.00 N ATOM 1449 CA ARG A 114 9.058 -1.384 -5.334 1.00 0.00 C ATOM 1450 C ARG A 114 9.704 -0.309 -4.467 1.00 0.00 C ATOM 1451 O ARG A 114 10.212 0.689 -4.984 1.00 0.00 O ATOM 1452 CB ARG A 114 10.082 -1.945 -6.325 1.00 0.00 C ATOM 1453 CG ARG A 114 10.666 -3.284 -5.912 1.00 0.00 C ATOM 1454 CD ARG A 114 11.637 -3.128 -4.746 1.00 0.00 C ATOM 1455 NE ARG A 114 12.280 -4.394 -4.397 1.00 0.00 N ATOM 1456 CZ ARG A 114 12.884 -4.623 -3.233 1.00 0.00 C ATOM 1457 NH1 ARG A 114 12.929 -3.676 -2.312 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.443 -5.801 -2.998 1.00 0.00 N ATOM 0 H ARG A 114 8.133 -0.392 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 114 8.712 -2.187 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.608 -2.051 -7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.893 -1.226 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.861 -3.963 -5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.181 -3.736 -6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.399 -2.393 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.103 -2.741 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 114 12.265 -5.146 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.501 -2.768 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.392 -3.853 -1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.410 -6.532 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.906 -5.977 -2.106 1.00 0.00 H new ATOM 1472 N VAL A 115 9.677 -0.516 -3.154 1.00 0.00 N ATOM 1473 CA VAL A 115 10.256 0.442 -2.219 1.00 0.00 C ATOM 1474 C VAL A 115 11.477 -0.139 -1.515 1.00 0.00 C ATOM 1475 O VAL A 115 11.452 -1.276 -1.039 1.00 0.00 O ATOM 1476 CB VAL A 115 9.231 0.888 -1.157 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.713 2.142 -0.443 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.867 1.120 -1.790 1.00 0.00 C ATOM 0 H VAL A 115 9.261 -1.337 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 115 10.558 1.308 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 115 9.132 0.091 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.977 2.442 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.665 1.938 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.844 2.946 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.159 1.434 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.946 1.897 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.517 0.196 -2.250 1.00 0.00 H new ATOM 1488 N ARG A 116 12.544 0.651 -1.449 1.00 0.00 N ATOM 1489 CA ARG A 116 13.776 0.224 -0.808 1.00 0.00 C ATOM 1490 C ARG A 116 14.313 1.321 0.097 1.00 0.00 C ATOM 1491 O ARG A 116 14.296 2.500 -0.242 1.00 0.00 O ATOM 1492 CB ARG A 116 14.829 -0.143 -1.849 1.00 0.00 C ATOM 1493 CG ARG A 116 16.143 -0.619 -1.260 1.00 0.00 C ATOM 1494 CD ARG A 116 16.101 -2.103 -0.925 1.00 0.00 C ATOM 1495 NE ARG A 116 16.548 -2.923 -2.049 1.00 0.00 N ATOM 1496 CZ ARG A 116 17.787 -2.905 -2.544 1.00 0.00 C ATOM 1497 NH1 ARG A 116 18.705 -2.110 -2.008 1.00 0.00 N ATOM 1498 NH2 ARG A 116 18.108 -3.681 -3.561 1.00 0.00 N ATOM 0 H ARG A 116 12.577 1.595 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 116 13.553 -0.658 -0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.429 -0.924 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.019 0.726 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.950 -0.428 -1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.367 -0.048 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.732 -2.298 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 116 15.085 -2.385 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 116 15.870 -3.549 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.463 -1.513 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.652 -2.097 -2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.408 -4.298 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.056 -3.664 -3.936 1.00 0.00 H new ATOM 1512 N VAL A 117 14.787 0.929 1.284 1.00 0.00 N ATOM 1513 CA VAL A 117 15.323 1.885 2.244 1.00 0.00 C ATOM 1514 C VAL A 117 16.841 1.996 2.115 1.00 0.00 C ATOM 1515 O VAL A 117 17.505 1.081 1.630 1.00 0.00 O ATOM 1516 CB VAL A 117 14.957 1.501 3.683 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.448 1.364 3.840 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.659 0.215 4.097 1.00 0.00 C ATOM 0 H VAL A 117 14.808 -0.041 1.597 1.00 0.00 H new ATOM 0 HA VAL A 117 14.874 2.852 2.018 1.00 0.00 H new ATOM 0 HB VAL A 117 15.297 2.301 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.213 1.091 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 117 12.969 2.313 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.081 0.590 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.384 -0.036 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.358 -0.594 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.738 0.354 4.035 1.00 0.00 H new ATOM 1528 N TYR A 118 17.382 3.126 2.559 1.00 0.00 N ATOM 1529 CA TYR A 118 18.820 3.359 2.502 1.00 0.00 C ATOM 1530 C TYR A 118 19.572 2.325 3.340 1.00 0.00 C ATOM 1531 O TYR A 118 20.196 1.411 2.789 1.00 0.00 O ATOM 1532 CB TYR A 118 19.149 4.767 3.008 1.00 0.00 C ATOM 1533 CG TYR A 118 19.194 5.804 1.901 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.229 5.826 0.901 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.200 6.762 1.863 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.265 6.773 -0.089 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.243 7.712 0.868 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.274 7.713 -0.105 1.00 0.00 C ATOM 1539 OH TYR A 118 19.314 8.658 -1.105 1.00 0.00 O ATOM 0 H TYR A 118 16.846 3.894 2.962 1.00 0.00 H new ATOM 0 HA TYR A 118 19.137 3.265 1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.404 5.064 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.112 4.747 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.441 5.088 0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 118 20.962 6.761 2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.504 6.783 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.032 8.450 0.853 1.00 0.00 H new ATOM 0 HH TYR A 118 20.087 9.245 -0.969 1.00 0.00 H new ATOM 1549 N GLN A 119 19.511 2.474 4.651 1.00 0.00 N ATOM 1550 CA GLN A 119 20.186 1.553 5.558 1.00 0.00 C ATOM 1551 C GLN A 119 19.322 0.327 5.833 1.00 0.00 C ATOM 1552 O GLN A 119 18.153 0.449 6.208 1.00 0.00 O ATOM 1553 CB GLN A 119 20.526 2.257 6.874 1.00 0.00 C ATOM 1554 CG GLN A 119 21.107 3.649 6.696 1.00 0.00 C ATOM 1555 CD GLN A 119 21.885 4.124 7.899 1.00 0.00 C ATOM 1556 OE1 GLN A 119 22.949 4.730 7.769 1.00 0.00 O ATOM 1557 NE2 GLN A 119 21.358 3.850 9.087 1.00 0.00 N ATOM 0 H GLN A 119 19.001 3.225 5.116 1.00 0.00 H new ATOM 0 HA GLN A 119 21.109 1.224 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.624 2.326 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.238 1.645 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.760 3.655 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 119 20.298 4.351 6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 119 20.474 3.345 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 119 21.838 4.144 9.938 1.00 0.00 H new ATOM 1566 N ILE A 120 19.904 -0.855 5.660 1.00 0.00 N ATOM 1567 CA ILE A 120 19.185 -2.105 5.888 1.00 0.00 C ATOM 1568 C ILE A 120 19.806 -2.893 7.030 1.00 0.00 C ATOM 1569 O ILE A 120 20.952 -2.653 7.411 1.00 0.00 O ATOM 1570 CB ILE A 120 19.158 -2.995 4.617 1.00 0.00 C ATOM 1571 CG1 ILE A 120 20.331 -2.658 3.695 1.00 0.00 C ATOM 1572 CG2 ILE A 120 17.834 -2.829 3.883 1.00 0.00 C ATOM 1573 CD1 ILE A 120 20.356 -3.470 2.418 1.00 0.00 C ATOM 0 H ILE A 120 20.872 -0.974 5.362 1.00 0.00 H new ATOM 0 HA ILE A 120 18.162 -1.832 6.147 1.00 0.00 H new ATOM 0 HB ILE A 120 19.256 -4.036 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.289 -1.599 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 120 21.264 -2.819 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 120 17.830 -3.459 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.015 -3.122 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 120 17.709 -1.787 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 120 21.216 -3.175 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 120 20.430 -4.530 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 120 19.440 -3.291 1.855 1.00 0.00 H new ATOM 1585 N PRO A 121 19.054 -3.851 7.608 1.00 0.00 N ATOM 1586 CA PRO A 121 19.537 -4.677 8.720 1.00 0.00 C ATOM 1587 C PRO A 121 20.881 -5.327 8.407 1.00 0.00 C ATOM 1588 O PRO A 121 21.747 -5.343 9.306 1.00 0.00 O ATOM 1589 CB PRO A 121 18.448 -5.743 8.863 1.00 0.00 C ATOM 1590 CG PRO A 121 17.217 -5.108 8.324 1.00 0.00 C ATOM 1591 CD PRO A 121 17.677 -4.203 7.206 1.00 0.00 C ATOM 1592 OXT PRO A 121 21.056 -5.819 7.280 1.00 0.00 O ATOM 0 HA PRO A 121 19.703 -4.094 9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 121 18.703 -6.645 8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.317 -6.037 9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 121 16.518 -5.859 7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 121 16.698 -4.542 9.097 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.655 -4.710 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.045 -3.320 7.116 1.00 0.00 H new TER 1600 PRO A 121