USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= 0.646 K(o=0.65,f=-5!) USER MOD Single : A 1 GLN N :NH3+ 157:sc= 1.05 (180deg=0.736) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.089) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0985 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 13.912 -38.207 -1.251 1.00 0.00 N ATOM 2 CA GLN A 1 13.426 -36.845 -1.634 1.00 0.00 C ATOM 3 C GLN A 1 14.422 -36.169 -2.582 1.00 0.00 C ATOM 4 O GLN A 1 15.478 -36.699 -2.874 1.00 0.00 O ATOM 5 CB GLN A 1 13.326 -36.061 -0.320 1.00 0.00 C ATOM 6 CG GLN A 1 11.953 -36.292 0.321 1.00 0.00 C ATOM 7 CD GLN A 1 12.066 -37.363 1.410 1.00 0.00 C ATOM 8 OE1 GLN A 1 12.410 -38.495 1.130 1.00 0.00 O ATOM 9 NE2 GLN A 1 11.788 -37.054 2.648 1.00 0.00 N ATOM 0 H1 GLN A 1 13.474 -38.492 -0.352 1.00 0.00 H new ATOM 0 H2 GLN A 1 13.655 -38.889 -1.993 1.00 0.00 H new ATOM 0 H3 GLN A 1 14.946 -38.189 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 1 12.469 -36.889 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 1 14.114 -36.377 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 1 13.475 -34.998 -0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 1 11.580 -35.362 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 1 11.235 -36.605 -0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 1 11.499 -36.105 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 1 11.860 -37.762 3.379 1.00 0.00 H new ATOM 20 N VAL A 2 14.087 -34.998 -3.058 1.00 0.00 N ATOM 21 CA VAL A 2 15.002 -34.266 -3.986 1.00 0.00 C ATOM 22 C VAL A 2 15.696 -33.121 -3.239 1.00 0.00 C ATOM 23 O VAL A 2 15.064 -32.384 -2.506 1.00 0.00 O ATOM 24 CB VAL A 2 14.095 -33.721 -5.097 1.00 0.00 C ATOM 25 CG1 VAL A 2 14.927 -32.906 -6.091 1.00 0.00 C ATOM 26 CG2 VAL A 2 13.429 -34.887 -5.836 1.00 0.00 C ATOM 0 H VAL A 2 13.215 -34.514 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 2 15.787 -34.906 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 2 13.331 -33.084 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.279 -32.521 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.401 -32.073 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.694 -33.543 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.785 -34.498 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.196 -35.525 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.832 -35.469 -5.134 1.00 0.00 H new ATOM 36 N TYR A 3 16.992 -32.976 -3.424 1.00 0.00 N ATOM 37 CA TYR A 3 17.764 -31.886 -2.735 1.00 0.00 C ATOM 38 C TYR A 3 17.671 -32.039 -1.207 1.00 0.00 C ATOM 39 O TYR A 3 16.684 -31.681 -0.592 1.00 0.00 O ATOM 40 CB TYR A 3 17.130 -30.565 -3.194 1.00 0.00 C ATOM 41 CG TYR A 3 17.912 -30.005 -4.360 1.00 0.00 C ATOM 42 CD1 TYR A 3 17.792 -30.587 -5.628 1.00 0.00 C ATOM 43 CD2 TYR A 3 18.757 -28.904 -4.173 1.00 0.00 C ATOM 44 CE1 TYR A 3 18.517 -30.068 -6.707 1.00 0.00 C ATOM 45 CE2 TYR A 3 19.481 -28.385 -5.252 1.00 0.00 C ATOM 46 CZ TYR A 3 19.361 -28.968 -6.519 1.00 0.00 C ATOM 47 OH TYR A 3 20.074 -28.457 -7.584 1.00 0.00 O ATOM 0 H TYR A 3 17.553 -33.574 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 3 18.824 -31.924 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 3 16.092 -30.730 -3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 3 17.121 -29.849 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 3 17.140 -31.436 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 3 18.850 -28.455 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.425 -30.517 -7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 3 20.132 -27.535 -5.107 1.00 0.00 H new ATOM 0 HH TYR A 3 20.610 -27.694 -7.283 1.00 0.00 H new ATOM 57 N LYS A 4 18.700 -32.572 -0.593 1.00 0.00 N ATOM 58 CA LYS A 4 18.682 -32.756 0.892 1.00 0.00 C ATOM 59 C LYS A 4 18.774 -31.398 1.601 1.00 0.00 C ATOM 60 O LYS A 4 19.837 -30.813 1.708 1.00 0.00 O ATOM 61 CB LYS A 4 19.913 -33.613 1.209 1.00 0.00 C ATOM 62 CG LYS A 4 19.549 -35.097 1.100 1.00 0.00 C ATOM 63 CD LYS A 4 19.281 -35.667 2.497 1.00 0.00 C ATOM 64 CE LYS A 4 20.602 -36.115 3.135 1.00 0.00 C ATOM 65 NZ LYS A 4 20.751 -37.552 2.766 1.00 0.00 N ATOM 0 H LYS A 4 19.552 -32.888 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 4 17.761 -33.229 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.722 -33.375 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.275 -33.390 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.667 -35.220 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.360 -35.646 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.801 -34.914 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.594 -36.510 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.439 -35.525 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.579 -35.987 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.634 -37.924 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.945 -38.092 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.778 -37.643 1.730 1.00 0.00 H new ATOM 79 N GLY A 5 17.664 -30.896 2.083 1.00 0.00 N ATOM 80 CA GLY A 5 17.674 -29.579 2.786 1.00 0.00 C ATOM 81 C GLY A 5 18.055 -29.779 4.258 1.00 0.00 C ATOM 82 O GLY A 5 18.646 -30.777 4.626 1.00 0.00 O ATOM 0 H GLY A 5 16.750 -31.344 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.383 -28.905 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.692 -29.111 2.715 1.00 0.00 H new ATOM 86 N GLY A 6 17.719 -28.833 5.101 1.00 0.00 N ATOM 87 CA GLY A 6 18.057 -28.956 6.549 1.00 0.00 C ATOM 88 C GLY A 6 17.365 -27.840 7.336 1.00 0.00 C ATOM 89 O GLY A 6 17.155 -26.752 6.832 1.00 0.00 O ATOM 0 H GLY A 6 17.224 -27.979 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.741 -29.929 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 6 19.137 -28.896 6.687 1.00 0.00 H new ATOM 93 N TYR A 7 17.011 -28.101 8.569 1.00 0.00 N ATOM 94 CA TYR A 7 16.332 -27.058 9.395 1.00 0.00 C ATOM 95 C TYR A 7 17.375 -26.183 10.103 1.00 0.00 C ATOM 96 O TYR A 7 17.728 -26.418 11.244 1.00 0.00 O ATOM 97 CB TYR A 7 15.488 -27.834 10.414 1.00 0.00 C ATOM 98 CG TYR A 7 14.203 -28.291 9.762 1.00 0.00 C ATOM 99 CD1 TYR A 7 13.071 -27.466 9.787 1.00 0.00 C ATOM 100 CD2 TYR A 7 14.144 -29.540 9.130 1.00 0.00 C ATOM 101 CE1 TYR A 7 11.883 -27.889 9.183 1.00 0.00 C ATOM 102 CE2 TYR A 7 12.955 -29.962 8.526 1.00 0.00 C ATOM 103 CZ TYR A 7 11.825 -29.137 8.552 1.00 0.00 C ATOM 104 OH TYR A 7 10.652 -29.554 7.955 1.00 0.00 O ATOM 0 H TYR A 7 17.163 -28.993 9.040 1.00 0.00 H new ATOM 0 HA TYR A 7 15.717 -26.390 8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.046 -28.694 10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.267 -27.203 11.275 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.116 -26.503 10.273 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.016 -30.177 9.109 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.010 -27.253 9.203 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.909 -30.925 8.039 1.00 0.00 H new ATOM 0 HH TYR A 7 10.783 -30.442 7.562 1.00 0.00 H new ATOM 114 N ALA A 8 17.871 -25.175 9.428 1.00 0.00 N ATOM 115 CA ALA A 8 18.893 -24.274 10.045 1.00 0.00 C ATOM 116 C ALA A 8 18.927 -22.927 9.312 1.00 0.00 C ATOM 117 O ALA A 8 18.482 -22.811 8.185 1.00 0.00 O ATOM 118 CB ALA A 8 20.225 -25.007 9.878 1.00 0.00 C ATOM 0 H ALA A 8 17.610 -24.937 8.471 1.00 0.00 H new ATOM 0 HA ALA A 8 18.673 -24.061 11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.027 -24.407 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 8 20.178 -25.969 10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 8 20.421 -25.169 8.818 1.00 0.00 H new ATOM 124 N ARG A 9 19.459 -21.910 9.944 1.00 0.00 N ATOM 125 CA ARG A 9 19.531 -20.570 9.291 1.00 0.00 C ATOM 126 C ARG A 9 20.987 -20.229 8.940 1.00 0.00 C ATOM 127 O ARG A 9 21.767 -19.883 9.807 1.00 0.00 O ATOM 128 CB ARG A 9 18.977 -19.589 10.329 1.00 0.00 C ATOM 129 CG ARG A 9 17.697 -18.946 9.791 1.00 0.00 C ATOM 130 CD ARG A 9 17.106 -18.011 10.849 1.00 0.00 C ATOM 131 NE ARG A 9 15.794 -17.574 10.289 1.00 0.00 N ATOM 132 CZ ARG A 9 15.683 -16.405 9.715 1.00 0.00 C ATOM 133 NH1 ARG A 9 16.234 -16.197 8.546 1.00 0.00 N ATOM 134 NH2 ARG A 9 15.024 -15.447 10.310 1.00 0.00 N ATOM 0 H ARG A 9 19.847 -21.952 10.886 1.00 0.00 H new ATOM 0 HA ARG A 9 18.966 -20.533 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 9 18.770 -20.110 11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 9 19.718 -18.820 10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.914 -18.389 8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.973 -19.718 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.977 -18.525 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.760 -17.159 11.032 1.00 0.00 H new ATOM 0 HE ARG A 9 14.982 -18.188 10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.749 -16.947 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.148 -15.285 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.597 -15.612 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.937 -14.534 9.863 1.00 0.00 H new ATOM 148 N PRO A 10 21.308 -20.343 7.669 1.00 0.00 N ATOM 149 CA PRO A 10 22.688 -20.045 7.201 1.00 0.00 C ATOM 150 C PRO A 10 22.957 -18.535 7.253 1.00 0.00 C ATOM 151 O PRO A 10 22.177 -17.742 6.759 1.00 0.00 O ATOM 152 CB PRO A 10 22.697 -20.557 5.762 1.00 0.00 C ATOM 153 CG PRO A 10 21.266 -20.526 5.330 1.00 0.00 C ATOM 154 CD PRO A 10 20.431 -20.753 6.562 1.00 0.00 C ATOM 0 HA PRO A 10 23.460 -20.509 7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.316 -19.927 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 10 23.104 -21.566 5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 10 21.022 -19.568 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 10 21.071 -21.297 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.516 -20.161 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.133 -21.797 6.655 1.00 0.00 H new ATOM 162 N ILE A 11 24.056 -18.141 7.855 1.00 0.00 N ATOM 163 CA ILE A 11 24.402 -16.684 7.962 1.00 0.00 C ATOM 164 C ILE A 11 23.228 -15.904 8.584 1.00 0.00 C ATOM 165 O ILE A 11 22.570 -15.128 7.915 1.00 0.00 O ATOM 166 CB ILE A 11 24.684 -16.213 6.523 1.00 0.00 C ATOM 167 CG1 ILE A 11 25.742 -17.118 5.876 1.00 0.00 C ATOM 168 CG2 ILE A 11 25.205 -14.773 6.546 1.00 0.00 C ATOM 169 CD1 ILE A 11 25.672 -16.981 4.352 1.00 0.00 C ATOM 0 H ILE A 11 24.735 -18.772 8.281 1.00 0.00 H new ATOM 0 HA ILE A 11 25.266 -16.515 8.605 1.00 0.00 H new ATOM 0 HB ILE A 11 23.760 -16.262 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 11 26.736 -16.844 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 11 25.575 -18.155 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 11 25.404 -14.442 5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.457 -14.123 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 11 26.125 -14.728 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.424 -17.624 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 11 24.682 -17.276 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 11 25.861 -15.945 4.071 1.00 0.00 H new ATOM 181 N PRO A 12 23.004 -16.145 9.857 1.00 0.00 N ATOM 182 CA PRO A 12 21.899 -15.464 10.582 1.00 0.00 C ATOM 183 C PRO A 12 22.281 -14.008 10.894 1.00 0.00 C ATOM 184 O PRO A 12 22.496 -13.640 12.037 1.00 0.00 O ATOM 185 CB PRO A 12 21.752 -16.285 11.861 1.00 0.00 C ATOM 186 CG PRO A 12 23.089 -16.924 12.077 1.00 0.00 C ATOM 187 CD PRO A 12 23.747 -17.065 10.728 1.00 0.00 C ATOM 0 HA PRO A 12 20.973 -15.414 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.478 -15.652 12.705 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.969 -17.036 11.758 1.00 0.00 H new ATOM 0 HG2 PRO A 12 23.702 -16.315 12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 12 22.976 -17.898 12.552 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.804 -16.802 10.773 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.689 -18.091 10.363 1.00 0.00 H new ATOM 195 N ARG A 13 22.369 -13.180 9.883 1.00 0.00 N ATOM 196 CA ARG A 13 22.738 -11.753 10.106 1.00 0.00 C ATOM 197 C ARG A 13 22.153 -10.878 8.989 1.00 0.00 C ATOM 198 O ARG A 13 22.566 -10.977 7.850 1.00 0.00 O ATOM 199 CB ARG A 13 24.270 -11.729 10.067 1.00 0.00 C ATOM 200 CG ARG A 13 24.795 -10.594 10.954 1.00 0.00 C ATOM 201 CD ARG A 13 24.661 -10.981 12.433 1.00 0.00 C ATOM 202 NE ARG A 13 25.619 -12.108 12.636 1.00 0.00 N ATOM 203 CZ ARG A 13 25.570 -12.816 13.734 1.00 0.00 C ATOM 204 NH1 ARG A 13 24.576 -13.645 13.928 1.00 0.00 N ATOM 205 NH2 ARG A 13 26.511 -12.693 14.635 1.00 0.00 N ATOM 0 H ARG A 13 22.200 -13.434 8.910 1.00 0.00 H new ATOM 0 HA ARG A 13 22.351 -11.365 11.048 1.00 0.00 H new ATOM 0 HB2 ARG A 13 24.667 -12.684 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.615 -11.591 9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 13 25.839 -10.388 10.716 1.00 0.00 H new ATOM 0 HG3 ARG A 13 24.237 -9.679 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 13 24.901 -10.139 13.083 1.00 0.00 H new ATOM 0 HD3 ARG A 13 23.641 -11.285 12.669 1.00 0.00 H new ATOM 0 HE ARG A 13 26.311 -12.325 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 13 23.844 -13.737 13.224 1.00 0.00 H new ATOM 0 HH12 ARG A 13 24.534 -14.199 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 13 27.283 -12.045 14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 13 26.472 -13.246 15.491 1.00 0.00 H new ATOM 219 N PRO A 14 21.202 -10.047 9.355 1.00 0.00 N ATOM 220 CA PRO A 14 20.553 -9.148 8.364 1.00 0.00 C ATOM 221 C PRO A 14 21.494 -7.995 7.977 1.00 0.00 C ATOM 222 O PRO A 14 22.196 -7.463 8.817 1.00 0.00 O ATOM 223 CB PRO A 14 19.329 -8.621 9.108 1.00 0.00 C ATOM 224 CG PRO A 14 19.676 -8.727 10.559 1.00 0.00 C ATOM 225 CD PRO A 14 20.648 -9.870 10.705 1.00 0.00 C ATOM 0 HA PRO A 14 20.299 -9.654 7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 14 19.113 -7.590 8.829 1.00 0.00 H new ATOM 0 HB3 PRO A 14 18.442 -9.208 8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 14 20.119 -7.798 10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.782 -8.905 11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 14 21.429 -9.638 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 14 20.149 -10.775 11.053 1.00 0.00 H new ATOM 233 N PRO A 15 21.474 -7.646 6.711 1.00 0.00 N ATOM 234 CA PRO A 15 22.334 -6.543 6.209 1.00 0.00 C ATOM 235 C PRO A 15 21.774 -5.178 6.643 1.00 0.00 C ATOM 236 O PRO A 15 20.570 -4.993 6.694 1.00 0.00 O ATOM 237 CB PRO A 15 22.265 -6.697 4.691 1.00 0.00 C ATOM 238 CG PRO A 15 20.971 -7.398 4.427 1.00 0.00 C ATOM 239 CD PRO A 15 20.660 -8.240 5.639 1.00 0.00 C ATOM 0 HA PRO A 15 23.353 -6.589 6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 15 22.296 -5.727 4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 15 23.110 -7.274 4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 15 20.174 -6.677 4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 15 21.047 -8.021 3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 15 19.598 -8.210 5.883 1.00 0.00 H new ATOM 0 HD3 PRO A 15 20.920 -9.286 5.475 1.00 0.00 H new ATOM 247 N PRO A 16 22.668 -4.261 6.936 1.00 0.00 N ATOM 248 CA PRO A 16 22.255 -2.899 7.363 1.00 0.00 C ATOM 249 C PRO A 16 21.724 -2.101 6.162 1.00 0.00 C ATOM 250 O PRO A 16 22.373 -1.198 5.664 1.00 0.00 O ATOM 251 CB PRO A 16 23.546 -2.289 7.910 1.00 0.00 C ATOM 252 CG PRO A 16 24.649 -3.029 7.222 1.00 0.00 C ATOM 253 CD PRO A 16 24.131 -4.407 6.902 1.00 0.00 C ATOM 0 HA PRO A 16 21.451 -2.901 8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.597 -1.221 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.609 -2.404 8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.950 -2.511 6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 16 25.530 -3.088 7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.475 -4.744 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.475 -5.141 7.631 1.00 0.00 H new ATOM 261 N PHE A 17 20.548 -2.437 5.690 1.00 0.00 N ATOM 262 CA PHE A 17 19.965 -1.716 4.520 1.00 0.00 C ATOM 263 C PHE A 17 18.452 -1.950 4.444 1.00 0.00 C ATOM 264 O PHE A 17 17.938 -2.937 4.938 1.00 0.00 O ATOM 265 CB PHE A 17 20.662 -2.315 3.294 1.00 0.00 C ATOM 266 CG PHE A 17 20.414 -1.442 2.085 1.00 0.00 C ATOM 267 CD1 PHE A 17 21.211 -0.313 1.861 1.00 0.00 C ATOM 268 CD2 PHE A 17 19.386 -1.763 1.188 1.00 0.00 C ATOM 269 CE1 PHE A 17 20.981 0.495 0.741 1.00 0.00 C ATOM 270 CE2 PHE A 17 19.156 -0.954 0.069 1.00 0.00 C ATOM 271 CZ PHE A 17 19.953 0.175 -0.155 1.00 0.00 C ATOM 0 H PHE A 17 19.965 -3.184 6.068 1.00 0.00 H new ATOM 0 HA PHE A 17 20.114 -0.638 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 17 21.733 -2.400 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.289 -3.322 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 17 22.003 -0.065 2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.771 -2.634 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.596 1.365 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 17 18.363 -1.201 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 17 19.775 0.799 -1.018 1.00 0.00 H new ATOM 281 N VAL A 18 17.743 -1.044 3.822 1.00 0.00 N ATOM 282 CA VAL A 18 16.259 -1.192 3.693 1.00 0.00 C ATOM 283 C VAL A 18 15.850 -1.105 2.216 1.00 0.00 C ATOM 284 O VAL A 18 16.435 -0.366 1.446 1.00 0.00 O ATOM 285 CB VAL A 18 15.663 -0.024 4.490 1.00 0.00 C ATOM 286 CG1 VAL A 18 14.135 -0.077 4.418 1.00 0.00 C ATOM 287 CG2 VAL A 18 16.101 -0.122 5.955 1.00 0.00 C ATOM 0 H VAL A 18 18.129 -0.202 3.395 1.00 0.00 H new ATOM 0 HA VAL A 18 15.906 -2.153 4.067 1.00 0.00 H new ATOM 0 HB VAL A 18 16.017 0.915 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.715 0.754 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.817 -0.004 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.783 -1.019 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 18 15.676 0.709 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 18 15.750 -1.064 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.189 -0.081 6.013 1.00 0.00 H new ATOM 297 N ARG A 19 14.851 -1.852 1.823 1.00 0.00 N ATOM 298 CA ARG A 19 14.398 -1.820 0.398 1.00 0.00 C ATOM 299 C ARG A 19 13.337 -0.725 0.199 1.00 0.00 C ATOM 300 O ARG A 19 12.257 -0.808 0.752 1.00 0.00 O ATOM 301 CB ARG A 19 13.798 -3.206 0.138 1.00 0.00 C ATOM 302 CG ARG A 19 13.838 -3.512 -1.360 1.00 0.00 C ATOM 303 CD ARG A 19 13.286 -4.919 -1.610 1.00 0.00 C ATOM 304 NE ARG A 19 11.881 -4.710 -2.063 1.00 0.00 N ATOM 305 CZ ARG A 19 11.467 -5.252 -3.177 1.00 0.00 C ATOM 306 NH1 ARG A 19 11.029 -6.484 -3.180 1.00 0.00 N ATOM 307 NH2 ARG A 19 11.493 -4.560 -4.285 1.00 0.00 N ATOM 0 H ARG A 19 14.327 -2.485 2.428 1.00 0.00 H new ATOM 0 HA ARG A 19 15.215 -1.596 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.356 -3.963 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.770 -3.242 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.249 -2.776 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.861 -3.440 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.870 -5.443 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.322 -5.524 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 19 11.243 -4.144 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.011 -7.021 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.705 -6.908 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.836 -3.599 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.170 -4.980 -5.157 1.00 0.00 H new ATOM 321 N PRO A 20 13.683 0.271 -0.587 1.00 0.00 N ATOM 322 CA PRO A 20 12.745 1.390 -0.860 1.00 0.00 C ATOM 323 C PRO A 20 11.673 0.966 -1.875 1.00 0.00 C ATOM 324 O PRO A 20 11.672 -0.153 -2.356 1.00 0.00 O ATOM 325 CB PRO A 20 13.644 2.473 -1.450 1.00 0.00 C ATOM 326 CG PRO A 20 14.809 1.742 -2.040 1.00 0.00 C ATOM 327 CD PRO A 20 14.966 0.449 -1.281 1.00 0.00 C ATOM 0 HA PRO A 20 12.207 1.719 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.117 3.051 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.968 3.176 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.642 1.547 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.716 2.342 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.172 -0.384 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.795 0.501 -0.575 1.00 0.00 H new ATOM 335 N LEU A 21 10.770 1.866 -2.200 1.00 0.00 N ATOM 336 CA LEU A 21 9.675 1.570 -3.191 1.00 0.00 C ATOM 337 C LEU A 21 8.739 0.458 -2.681 1.00 0.00 C ATOM 338 O LEU A 21 9.113 -0.337 -1.841 1.00 0.00 O ATOM 339 CB LEU A 21 10.378 1.131 -4.484 1.00 0.00 C ATOM 340 CG LEU A 21 11.214 2.289 -5.039 1.00 0.00 C ATOM 341 CD1 LEU A 21 12.660 1.829 -5.238 1.00 0.00 C ATOM 342 CD2 LEU A 21 10.634 2.738 -6.383 1.00 0.00 C ATOM 0 H LEU A 21 10.744 2.810 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 21 9.050 2.449 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.017 0.271 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.640 0.817 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 21 11.192 3.121 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.253 2.654 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.075 1.509 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.683 0.996 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.228 3.562 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.656 1.905 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.604 3.068 -6.243 1.00 0.00 H new ATOM 354 N PRO A 22 7.539 0.443 -3.217 1.00 0.00 N ATOM 355 CA PRO A 22 6.536 -0.578 -2.818 1.00 0.00 C ATOM 356 C PRO A 22 6.857 -1.933 -3.471 1.00 0.00 C ATOM 357 O PRO A 22 6.647 -2.127 -4.655 1.00 0.00 O ATOM 358 CB PRO A 22 5.220 -0.014 -3.350 1.00 0.00 C ATOM 359 CG PRO A 22 5.604 0.883 -4.486 1.00 0.00 C ATOM 360 CD PRO A 22 7.009 1.369 -4.229 1.00 0.00 C ATOM 0 HA PRO A 22 6.513 -0.759 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.557 -0.812 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.687 0.538 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.552 0.345 -5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.915 1.725 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.609 1.348 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.014 2.397 -3.867 1.00 0.00 H new ATOM 368 N GLY A 23 7.364 -2.867 -2.704 1.00 0.00 N ATOM 369 CA GLY A 23 7.704 -4.208 -3.269 1.00 0.00 C ATOM 370 C GLY A 23 6.687 -5.243 -2.782 1.00 0.00 C ATOM 371 O GLY A 23 6.870 -5.867 -1.754 1.00 0.00 O ATOM 0 H GLY A 23 7.557 -2.757 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.702 -4.166 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.709 -4.499 -2.963 1.00 0.00 H new ATOM 375 N GLY A 24 5.617 -5.432 -3.515 1.00 0.00 N ATOM 376 CA GLY A 24 4.583 -6.427 -3.101 1.00 0.00 C ATOM 377 C GLY A 24 3.530 -5.739 -2.226 1.00 0.00 C ATOM 378 O GLY A 24 3.664 -5.699 -1.017 1.00 0.00 O ATOM 0 H GLY A 24 5.416 -4.938 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.111 -6.863 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.050 -7.244 -2.551 1.00 0.00 H new ATOM 382 N PRO A 25 2.509 -5.219 -2.867 1.00 0.00 N ATOM 383 CA PRO A 25 1.418 -4.525 -2.132 1.00 0.00 C ATOM 384 C PRO A 25 0.549 -5.535 -1.372 1.00 0.00 C ATOM 385 O PRO A 25 0.482 -6.699 -1.723 1.00 0.00 O ATOM 386 CB PRO A 25 0.620 -3.838 -3.237 1.00 0.00 C ATOM 387 CG PRO A 25 0.896 -4.638 -4.471 1.00 0.00 C ATOM 388 CD PRO A 25 2.275 -5.228 -4.318 1.00 0.00 C ATOM 0 HA PRO A 25 1.787 -3.825 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.445 -3.826 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.931 -2.801 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.152 -5.425 -4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.843 -4.008 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.324 -6.239 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.023 -4.636 -4.846 1.00 0.00 H new ATOM 396 N ILE A 26 -0.117 -5.096 -0.333 1.00 0.00 N ATOM 397 CA ILE A 26 -0.983 -6.023 0.456 1.00 0.00 C ATOM 398 C ILE A 26 -2.462 -5.748 0.156 1.00 0.00 C ATOM 399 O ILE A 26 -2.866 -4.617 -0.039 1.00 0.00 O ATOM 400 CB ILE A 26 -0.660 -5.726 1.927 1.00 0.00 C ATOM 401 CG1 ILE A 26 0.836 -5.946 2.182 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.468 -6.661 2.831 1.00 0.00 C ATOM 403 CD1 ILE A 26 1.494 -4.617 2.560 1.00 0.00 C ATOM 0 H ILE A 26 -0.098 -4.133 0.003 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.800 -7.069 0.209 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.919 -4.690 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.976 -6.673 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.310 -6.358 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.237 -6.448 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.533 -6.506 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.211 -7.696 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.557 -4.776 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.367 -3.904 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.027 -4.224 3.463 1.00 0.00 H new ATOM 415 N GLY A 27 -3.269 -6.780 0.120 1.00 0.00 N ATOM 416 CA GLY A 27 -4.724 -6.595 -0.166 1.00 0.00 C ATOM 417 C GLY A 27 -4.935 -6.414 -1.674 1.00 0.00 C ATOM 418 O GLY A 27 -5.072 -5.303 -2.148 1.00 0.00 O ATOM 0 H GLY A 27 -2.981 -7.746 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.287 -7.458 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.102 -5.725 0.371 1.00 0.00 H new ATOM 422 N PRO A 28 -4.951 -7.520 -2.383 1.00 0.00 N ATOM 423 CA PRO A 28 -5.143 -7.478 -3.855 1.00 0.00 C ATOM 424 C PRO A 28 -6.617 -7.223 -4.203 1.00 0.00 C ATOM 425 O PRO A 28 -7.428 -6.932 -3.343 1.00 0.00 O ATOM 426 CB PRO A 28 -4.708 -8.870 -4.310 1.00 0.00 C ATOM 427 CG PRO A 28 -4.902 -9.756 -3.119 1.00 0.00 C ATOM 428 CD PRO A 28 -4.792 -8.894 -1.885 1.00 0.00 C ATOM 0 HA PRO A 28 -4.579 -6.679 -4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.305 -9.212 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.667 -8.870 -4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.876 -10.244 -3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.151 -10.545 -3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.563 -9.144 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.830 -9.029 -1.391 1.00 0.00 H new ATOM 436 N TYR A 29 -6.968 -7.338 -5.461 1.00 0.00 N ATOM 437 CA TYR A 29 -8.385 -7.113 -5.881 1.00 0.00 C ATOM 438 C TYR A 29 -9.229 -8.356 -5.552 1.00 0.00 C ATOM 439 O TYR A 29 -9.770 -9.004 -6.430 1.00 0.00 O ATOM 440 CB TYR A 29 -8.303 -6.885 -7.396 1.00 0.00 C ATOM 441 CG TYR A 29 -9.563 -6.220 -7.900 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.741 -4.839 -7.748 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.548 -6.984 -8.538 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.901 -4.225 -8.231 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.709 -6.371 -9.018 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.885 -4.991 -8.867 1.00 0.00 C ATOM 447 OH TYR A 29 -13.029 -4.385 -9.345 1.00 0.00 O ATOM 0 H TYR A 29 -6.329 -7.580 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.855 -6.273 -5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.438 -6.264 -7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.159 -7.838 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.982 -4.248 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.410 -8.048 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.038 -3.160 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.470 -6.962 -9.505 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.608 -5.059 -9.759 1.00 0.00 H new ATOM 457 N ASN A 30 -9.333 -8.698 -4.291 1.00 0.00 N ATOM 458 CA ASN A 30 -10.125 -9.902 -3.897 1.00 0.00 C ATOM 459 C ASN A 30 -10.896 -9.649 -2.591 1.00 0.00 C ATOM 460 O ASN A 30 -11.009 -10.522 -1.751 1.00 0.00 O ATOM 461 CB ASN A 30 -9.082 -11.007 -3.698 1.00 0.00 C ATOM 462 CG ASN A 30 -8.648 -11.563 -5.057 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.281 -12.453 -5.591 1.00 0.00 O ATOM 464 ND2 ASN A 30 -7.589 -11.076 -5.642 1.00 0.00 N ATOM 0 H ASN A 30 -8.902 -8.193 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.870 -10.164 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.218 -10.612 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.498 -11.806 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.293 -11.442 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.057 -10.329 -5.195 1.00 0.00 H new ATOM 471 N GLY A 31 -11.428 -8.465 -2.415 1.00 0.00 N ATOM 472 CA GLY A 31 -12.190 -8.168 -1.165 1.00 0.00 C ATOM 473 C GLY A 31 -13.028 -6.897 -1.339 1.00 0.00 C ATOM 474 O GLY A 31 -13.114 -6.079 -0.443 1.00 0.00 O ATOM 0 H GLY A 31 -11.368 -7.694 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.839 -9.008 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.499 -8.044 -0.331 1.00 0.00 H new ATOM 478 N CYS A 32 -13.651 -6.727 -2.481 1.00 0.00 N ATOM 479 CA CYS A 32 -14.489 -5.509 -2.714 1.00 0.00 C ATOM 480 C CYS A 32 -15.297 -5.656 -4.013 1.00 0.00 C ATOM 481 O CYS A 32 -14.778 -5.419 -5.088 1.00 0.00 O ATOM 482 CB CYS A 32 -13.494 -4.349 -2.833 1.00 0.00 C ATOM 483 SG CYS A 32 -14.403 -2.785 -2.896 1.00 0.00 S ATOM 0 H CYS A 32 -13.615 -7.381 -3.263 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.206 -5.349 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.811 -4.352 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.887 -4.466 -3.731 1.00 0.00 H new ATOM 488 N PRO A 33 -16.547 -6.037 -3.872 1.00 0.00 N ATOM 489 CA PRO A 33 -17.432 -6.205 -5.058 1.00 0.00 C ATOM 490 C PRO A 33 -17.763 -4.842 -5.687 1.00 0.00 C ATOM 491 O PRO A 33 -17.766 -3.823 -5.022 1.00 0.00 O ATOM 492 CB PRO A 33 -18.684 -6.864 -4.482 1.00 0.00 C ATOM 493 CG PRO A 33 -18.691 -6.480 -3.039 1.00 0.00 C ATOM 494 CD PRO A 33 -17.251 -6.350 -2.618 1.00 0.00 C ATOM 0 HA PRO A 33 -16.974 -6.795 -5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.583 -6.514 -4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.652 -7.947 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.224 -5.540 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.202 -7.234 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.120 -5.561 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.880 -7.272 -2.170 1.00 0.00 H new ATOM 502 N VAL A 34 -18.040 -4.824 -6.969 1.00 0.00 N ATOM 503 CA VAL A 34 -18.366 -3.534 -7.659 1.00 0.00 C ATOM 504 C VAL A 34 -19.808 -3.096 -7.349 1.00 0.00 C ATOM 505 O VAL A 34 -20.108 -1.917 -7.324 1.00 0.00 O ATOM 506 CB VAL A 34 -18.197 -3.826 -9.157 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.616 -2.601 -9.976 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.729 -4.147 -9.452 1.00 0.00 C ATOM 0 H VAL A 34 -18.055 -5.649 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.720 -2.722 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.823 -4.676 -9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.494 -2.814 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.660 -2.366 -9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.992 -1.750 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.608 -4.354 -10.515 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.108 -3.295 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.425 -5.020 -8.875 1.00 0.00 H new ATOM 518 N SER A 35 -20.698 -4.029 -7.114 1.00 0.00 N ATOM 519 CA SER A 35 -22.116 -3.661 -6.806 1.00 0.00 C ATOM 520 C SER A 35 -22.246 -3.077 -5.387 1.00 0.00 C ATOM 521 O SER A 35 -23.271 -2.518 -5.041 1.00 0.00 O ATOM 522 CB SER A 35 -22.901 -4.970 -6.922 1.00 0.00 C ATOM 523 OG SER A 35 -24.201 -4.696 -7.426 1.00 0.00 O ATOM 0 H SER A 35 -20.504 -5.030 -7.122 1.00 0.00 H new ATOM 0 HA SER A 35 -22.488 -2.894 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.380 -5.662 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.971 -5.453 -5.947 1.00 0.00 H new ATOM 0 HG SER A 35 -24.705 -5.533 -7.503 1.00 0.00 H new ATOM 529 N CYS A 36 -21.222 -3.208 -4.565 1.00 0.00 N ATOM 530 CA CYS A 36 -21.277 -2.667 -3.164 1.00 0.00 C ATOM 531 C CYS A 36 -22.451 -3.277 -2.379 1.00 0.00 C ATOM 532 O CYS A 36 -22.949 -2.688 -1.434 1.00 0.00 O ATOM 533 CB CYS A 36 -21.449 -1.149 -3.307 1.00 0.00 C ATOM 534 SG CYS A 36 -19.902 -0.409 -3.898 1.00 0.00 S ATOM 0 H CYS A 36 -20.346 -3.670 -4.809 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.373 -2.918 -2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.258 -0.929 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.728 -0.713 -2.348 1.00 0.00 H new ATOM 539 N ARG A 37 -22.887 -4.457 -2.754 1.00 0.00 N ATOM 540 CA ARG A 37 -24.015 -5.111 -2.029 1.00 0.00 C ATOM 541 C ARG A 37 -23.531 -6.401 -1.360 1.00 0.00 C ATOM 542 O ARG A 37 -22.527 -6.971 -1.745 1.00 0.00 O ATOM 543 CB ARG A 37 -25.062 -5.425 -3.101 1.00 0.00 C ATOM 544 CG ARG A 37 -26.087 -4.289 -3.165 1.00 0.00 C ATOM 545 CD ARG A 37 -27.477 -4.868 -3.449 1.00 0.00 C ATOM 546 NE ARG A 37 -28.397 -4.149 -2.521 1.00 0.00 N ATOM 547 CZ ARG A 37 -29.300 -4.813 -1.851 1.00 0.00 C ATOM 548 NH1 ARG A 37 -30.472 -5.040 -2.385 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.031 -5.251 -0.649 1.00 0.00 N ATOM 0 H ARG A 37 -22.507 -4.994 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.422 -4.473 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.579 -5.548 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.561 -6.366 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -26.096 -3.740 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.811 -3.580 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.764 -4.711 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.500 -5.943 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 37 -28.321 -3.138 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -30.680 -4.699 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -31.178 -5.559 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.116 -5.074 -0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.736 -5.770 -0.126 1.00 0.00 H new ATOM 563 N GLY A 38 -24.237 -6.861 -0.360 1.00 0.00 N ATOM 564 CA GLY A 38 -23.823 -8.113 0.344 1.00 0.00 C ATOM 565 C GLY A 38 -22.500 -7.884 1.090 1.00 0.00 C ATOM 566 O GLY A 38 -21.730 -8.804 1.287 1.00 0.00 O ATOM 0 H GLY A 38 -25.085 -6.423 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.598 -8.418 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.709 -8.924 -0.376 1.00 0.00 H new ATOM 570 N ILE A 39 -22.234 -6.668 1.512 1.00 0.00 N ATOM 571 CA ILE A 39 -20.968 -6.388 2.252 1.00 0.00 C ATOM 572 C ILE A 39 -21.283 -5.716 3.588 1.00 0.00 C ATOM 573 O ILE A 39 -22.278 -5.029 3.731 1.00 0.00 O ATOM 574 CB ILE A 39 -20.140 -5.445 1.364 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.843 -4.083 1.243 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.965 -6.061 -0.028 1.00 0.00 C ATOM 577 CD1 ILE A 39 -20.076 -3.184 0.267 1.00 0.00 C ATOM 0 H ILE A 39 -22.841 -5.860 1.374 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.421 -7.307 2.463 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.160 -5.301 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.867 -4.222 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.901 -3.606 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.377 -5.388 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.450 -7.017 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.943 -6.216 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.580 -2.221 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.061 -3.033 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -20.041 -3.658 -0.714 1.00 0.00 H new ATOM 589 N SER A 40 -20.434 -5.905 4.558 1.00 0.00 N ATOM 590 CA SER A 40 -20.659 -5.276 5.890 1.00 0.00 C ATOM 591 C SER A 40 -20.278 -3.797 5.821 1.00 0.00 C ATOM 592 O SER A 40 -19.543 -3.382 4.944 1.00 0.00 O ATOM 593 CB SER A 40 -19.730 -6.020 6.855 1.00 0.00 C ATOM 594 OG SER A 40 -19.656 -7.393 6.489 1.00 0.00 O ATOM 0 H SER A 40 -19.589 -6.471 4.486 1.00 0.00 H new ATOM 0 HA SER A 40 -21.699 -5.338 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.736 -5.574 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.100 -5.926 7.876 1.00 0.00 H new ATOM 0 HG SER A 40 -19.060 -7.865 7.107 1.00 0.00 H new ATOM 600 N PHE A 41 -20.763 -2.998 6.738 1.00 0.00 N ATOM 601 CA PHE A 41 -20.411 -1.544 6.716 1.00 0.00 C ATOM 602 C PHE A 41 -18.888 -1.379 6.789 1.00 0.00 C ATOM 603 O PHE A 41 -18.309 -0.607 6.050 1.00 0.00 O ATOM 604 CB PHE A 41 -21.085 -0.936 7.951 1.00 0.00 C ATOM 605 CG PHE A 41 -21.197 0.561 7.772 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.163 1.093 6.909 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.330 1.415 8.464 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.262 2.480 6.739 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.430 2.802 8.294 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.397 3.334 7.432 1.00 0.00 C ATOM 0 H PHE A 41 -21.383 -3.286 7.495 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.746 -1.052 5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.074 -1.372 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.506 -1.165 8.845 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.831 0.434 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.584 1.005 9.129 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.006 2.890 6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.761 3.461 8.828 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.475 4.403 7.302 1.00 0.00 H new ATOM 620 N SER A 42 -18.237 -2.114 7.659 1.00 0.00 N ATOM 621 CA SER A 42 -16.749 -2.014 7.766 1.00 0.00 C ATOM 622 C SER A 42 -16.097 -2.528 6.477 1.00 0.00 C ATOM 623 O SER A 42 -15.096 -2.004 6.031 1.00 0.00 O ATOM 624 CB SER A 42 -16.359 -2.896 8.953 1.00 0.00 C ATOM 625 OG SER A 42 -15.143 -2.415 9.514 1.00 0.00 O ATOM 0 H SER A 42 -18.673 -2.778 8.299 1.00 0.00 H new ATOM 0 HA SER A 42 -16.418 -0.985 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.149 -2.886 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.240 -3.930 8.629 1.00 0.00 H new ATOM 0 HG SER A 42 -14.890 -2.976 10.276 1.00 0.00 H new ATOM 631 N GLN A 43 -16.671 -3.539 5.865 1.00 0.00 N ATOM 632 CA GLN A 43 -16.096 -4.071 4.591 1.00 0.00 C ATOM 633 C GLN A 43 -16.141 -2.974 3.524 1.00 0.00 C ATOM 634 O GLN A 43 -15.182 -2.748 2.809 1.00 0.00 O ATOM 635 CB GLN A 43 -16.999 -5.246 4.200 1.00 0.00 C ATOM 636 CG GLN A 43 -16.143 -6.447 3.794 1.00 0.00 C ATOM 637 CD GLN A 43 -16.875 -7.742 4.159 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.560 -8.371 5.149 1.00 0.00 O ATOM 639 NE2 GLN A 43 -17.846 -8.169 3.398 1.00 0.00 N ATOM 0 H GLN A 43 -17.511 -4.016 6.194 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.058 -4.387 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.644 -5.514 5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.650 -4.957 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.943 -6.419 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.178 -6.407 4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -18.112 -7.642 2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.339 -9.030 3.635 1.00 0.00 H new ATOM 648 N ALA A 44 -17.249 -2.278 3.435 1.00 0.00 N ATOM 649 CA ALA A 44 -17.373 -1.172 2.440 1.00 0.00 C ATOM 650 C ALA A 44 -16.487 0.005 2.867 1.00 0.00 C ATOM 651 O ALA A 44 -15.911 0.693 2.044 1.00 0.00 O ATOM 652 CB ALA A 44 -18.853 -0.778 2.469 1.00 0.00 C ATOM 0 H ALA A 44 -18.076 -2.431 4.013 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.056 -1.466 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.028 0.033 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.464 -1.638 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.122 -0.448 3.473 1.00 0.00 H new ATOM 658 N ARG A 45 -16.369 0.227 4.156 1.00 0.00 N ATOM 659 CA ARG A 45 -15.515 1.344 4.663 1.00 0.00 C ATOM 660 C ARG A 45 -14.032 1.047 4.390 1.00 0.00 C ATOM 661 O ARG A 45 -13.253 1.942 4.121 1.00 0.00 O ATOM 662 CB ARG A 45 -15.777 1.402 6.172 1.00 0.00 C ATOM 663 CG ARG A 45 -15.983 2.856 6.606 1.00 0.00 C ATOM 664 CD ARG A 45 -17.045 2.918 7.709 1.00 0.00 C ATOM 665 NE ARG A 45 -16.312 2.614 8.973 1.00 0.00 N ATOM 666 CZ ARG A 45 -16.235 3.514 9.917 1.00 0.00 C ATOM 667 NH1 ARG A 45 -15.252 4.376 9.917 1.00 0.00 N ATOM 668 NH2 ARG A 45 -17.140 3.550 10.859 1.00 0.00 N ATOM 0 H ARG A 45 -16.831 -0.322 4.881 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.748 2.289 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.658 0.810 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.937 0.967 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.044 3.275 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.294 3.460 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.512 3.902 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.841 2.195 7.531 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.871 1.703 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.547 4.345 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.190 5.079 10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.905 2.876 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.081 4.252 11.596 1.00 0.00 H new ATOM 682 N SER A 46 -13.640 -0.204 4.466 1.00 0.00 N ATOM 683 CA SER A 46 -12.210 -0.567 4.220 1.00 0.00 C ATOM 684 C SER A 46 -11.846 -0.382 2.738 1.00 0.00 C ATOM 685 O SER A 46 -10.776 0.100 2.417 1.00 0.00 O ATOM 686 CB SER A 46 -12.092 -2.040 4.619 1.00 0.00 C ATOM 687 OG SER A 46 -10.720 -2.373 4.796 1.00 0.00 O ATOM 0 H SER A 46 -14.252 -0.989 4.688 1.00 0.00 H new ATOM 0 HA SER A 46 -11.531 0.067 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.644 -2.224 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.535 -2.673 3.850 1.00 0.00 H new ATOM 0 HG SER A 46 -10.643 -3.315 5.053 1.00 0.00 H new ATOM 693 N CYS A 47 -12.721 -0.768 1.837 1.00 0.00 N ATOM 694 CA CYS A 47 -12.411 -0.620 0.378 1.00 0.00 C ATOM 695 C CYS A 47 -12.459 0.852 -0.049 1.00 0.00 C ATOM 696 O CYS A 47 -11.731 1.266 -0.929 1.00 0.00 O ATOM 697 CB CYS A 47 -13.495 -1.409 -0.355 1.00 0.00 C ATOM 698 SG CYS A 47 -13.115 -1.436 -2.125 1.00 0.00 S ATOM 0 H CYS A 47 -13.631 -1.177 2.048 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.409 -0.985 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.547 -2.426 0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.471 -0.953 -0.187 1.00 0.00 H new ATOM 703 N CYS A 48 -13.313 1.640 0.552 1.00 0.00 N ATOM 704 CA CYS A 48 -13.401 3.080 0.158 1.00 0.00 C ATOM 705 C CYS A 48 -12.100 3.822 0.498 1.00 0.00 C ATOM 706 O CYS A 48 -11.612 4.618 -0.280 1.00 0.00 O ATOM 707 CB CYS A 48 -14.560 3.651 0.975 1.00 0.00 C ATOM 708 SG CYS A 48 -14.779 5.404 0.579 1.00 0.00 S ATOM 0 H CYS A 48 -13.950 1.352 1.294 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.557 3.192 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.476 3.102 0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.361 3.531 2.040 1.00 0.00 H new ATOM 713 N SER A 49 -11.549 3.577 1.660 1.00 0.00 N ATOM 714 CA SER A 49 -10.294 4.282 2.064 1.00 0.00 C ATOM 715 C SER A 49 -9.043 3.637 1.446 1.00 0.00 C ATOM 716 O SER A 49 -8.007 4.265 1.351 1.00 0.00 O ATOM 717 CB SER A 49 -10.252 4.163 3.588 1.00 0.00 C ATOM 718 OG SER A 49 -9.260 5.043 4.100 1.00 0.00 O ATOM 0 H SER A 49 -11.915 2.918 2.348 1.00 0.00 H new ATOM 0 HA SER A 49 -10.296 5.316 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.226 4.409 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.029 3.136 3.878 1.00 0.00 H new ATOM 0 HG SER A 49 -9.231 4.971 5.077 1.00 0.00 H new ATOM 724 N ARG A 50 -9.118 2.396 1.041 1.00 0.00 N ATOM 725 CA ARG A 50 -7.911 1.733 0.452 1.00 0.00 C ATOM 726 C ARG A 50 -7.986 1.674 -1.081 1.00 0.00 C ATOM 727 O ARG A 50 -6.972 1.559 -1.743 1.00 0.00 O ATOM 728 CB ARG A 50 -7.901 0.322 1.042 1.00 0.00 C ATOM 729 CG ARG A 50 -7.472 0.388 2.510 1.00 0.00 C ATOM 730 CD ARG A 50 -6.797 -0.927 2.911 1.00 0.00 C ATOM 731 NE ARG A 50 -6.971 -1.014 4.388 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.950 -1.290 5.153 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.604 -2.535 5.355 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.274 -0.322 5.713 1.00 0.00 N ATOM 0 H ARG A 50 -9.955 1.815 1.091 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.003 2.288 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.892 -0.125 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.217 -0.314 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.785 1.221 2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.339 0.571 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.258 -1.777 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.742 -0.929 2.637 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.890 -0.858 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.132 -3.289 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.806 -2.752 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.544 0.648 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.476 -0.537 6.311 1.00 0.00 H new ATOM 748 N LEU A 51 -9.163 1.735 -1.655 1.00 0.00 N ATOM 749 CA LEU A 51 -9.269 1.662 -3.149 1.00 0.00 C ATOM 750 C LEU A 51 -10.217 2.731 -3.727 1.00 0.00 C ATOM 751 O LEU A 51 -10.292 2.896 -4.930 1.00 0.00 O ATOM 752 CB LEU A 51 -9.817 0.260 -3.435 1.00 0.00 C ATOM 753 CG LEU A 51 -8.660 -0.690 -3.756 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.022 -2.109 -3.314 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.393 -0.680 -5.264 1.00 0.00 C ATOM 0 H LEU A 51 -10.049 1.831 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.301 1.847 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.373 -0.107 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.514 0.295 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.766 -0.362 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.197 -2.783 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.211 -2.119 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.917 -2.438 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.569 -1.356 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.288 -1.006 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.132 0.330 -5.581 1.00 0.00 H new ATOM 767 N GLY A 52 -10.944 3.447 -2.902 1.00 0.00 N ATOM 768 CA GLY A 52 -11.884 4.480 -3.439 1.00 0.00 C ATOM 769 C GLY A 52 -13.119 3.790 -4.036 1.00 0.00 C ATOM 770 O GLY A 52 -13.762 4.319 -4.924 1.00 0.00 O ATOM 0 H GLY A 52 -10.927 3.361 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.185 5.162 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.386 5.079 -4.201 1.00 0.00 H new ATOM 774 N ARG A 53 -13.454 2.609 -3.561 1.00 0.00 N ATOM 775 CA ARG A 53 -14.640 1.880 -4.105 1.00 0.00 C ATOM 776 C ARG A 53 -15.667 1.617 -3.000 1.00 0.00 C ATOM 777 O ARG A 53 -15.322 1.459 -1.843 1.00 0.00 O ATOM 778 CB ARG A 53 -14.087 0.557 -4.638 1.00 0.00 C ATOM 779 CG ARG A 53 -13.665 0.727 -6.101 1.00 0.00 C ATOM 780 CD ARG A 53 -14.629 -0.045 -7.011 1.00 0.00 C ATOM 781 NE ARG A 53 -15.795 0.866 -7.218 1.00 0.00 N ATOM 782 CZ ARG A 53 -16.772 0.509 -8.009 1.00 0.00 C ATOM 783 NH1 ARG A 53 -16.709 0.782 -9.288 1.00 0.00 N ATOM 784 NH2 ARG A 53 -17.812 -0.114 -7.520 1.00 0.00 N ATOM 0 H ARG A 53 -12.953 2.121 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.148 2.456 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.234 0.240 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.843 -0.224 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.665 1.784 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.647 0.362 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.156 -0.299 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.940 -0.982 -6.549 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.828 1.767 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.898 1.273 -9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.471 0.504 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.860 -0.321 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.575 -0.393 -8.136 1.00 0.00 H new ATOM 798 N CYS A 54 -16.929 1.589 -3.357 1.00 0.00 N ATOM 799 CA CYS A 54 -18.018 1.356 -2.353 1.00 0.00 C ATOM 800 C CYS A 54 -17.949 2.448 -1.286 1.00 0.00 C ATOM 801 O CYS A 54 -18.010 2.194 -0.098 1.00 0.00 O ATOM 802 CB CYS A 54 -17.760 -0.034 -1.751 1.00 0.00 C ATOM 803 SG CYS A 54 -18.447 -1.323 -2.828 1.00 0.00 S ATOM 0 H CYS A 54 -17.256 1.719 -4.314 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.012 1.393 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.689 -0.190 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.211 -0.099 -0.761 1.00 0.00 H new ATOM 808 N CYS A 55 -17.810 3.669 -1.728 1.00 0.00 N ATOM 809 CA CYS A 55 -17.715 4.818 -0.788 1.00 0.00 C ATOM 810 C CYS A 55 -19.109 5.377 -0.450 1.00 0.00 C ATOM 811 O CYS A 55 -19.258 6.158 0.470 1.00 0.00 O ATOM 812 CB CYS A 55 -16.882 5.852 -1.546 1.00 0.00 C ATOM 813 SG CYS A 55 -15.126 5.430 -1.410 1.00 0.00 S ATOM 0 H CYS A 55 -17.758 3.920 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.269 4.537 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.181 5.878 -2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.060 6.847 -1.139 1.00 0.00 H new ATOM 818 N HIS A 56 -20.126 4.986 -1.182 1.00 0.00 N ATOM 819 CA HIS A 56 -21.500 5.492 -0.900 1.00 0.00 C ATOM 820 C HIS A 56 -22.415 4.327 -0.493 1.00 0.00 C ATOM 821 O HIS A 56 -23.534 4.206 -0.957 1.00 0.00 O ATOM 822 CB HIS A 56 -21.964 6.119 -2.220 1.00 0.00 C ATOM 823 CG HIS A 56 -22.787 7.345 -1.933 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.238 8.618 -1.921 1.00 0.00 N ATOM 825 CD2 HIS A 56 -24.121 7.509 -1.648 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.228 9.483 -1.636 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.396 8.859 -1.460 1.00 0.00 N ATOM 0 H HIS A 56 -20.059 4.336 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.524 6.211 -0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.102 6.382 -2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.552 5.399 -2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.846 6.711 -1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -23.095 10.552 -1.559 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -25.297 9.282 -1.236 1.00 0.00 H new ATOM 835 N VAL A 57 -21.937 3.466 0.372 1.00 0.00 N ATOM 836 CA VAL A 57 -22.762 2.300 0.817 1.00 0.00 C ATOM 837 C VAL A 57 -23.761 2.738 1.897 1.00 0.00 C ATOM 838 O VAL A 57 -23.383 3.168 2.974 1.00 0.00 O ATOM 839 CB VAL A 57 -21.753 1.288 1.378 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.492 0.082 1.967 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.833 0.812 0.250 1.00 0.00 C ATOM 0 H VAL A 57 -21.008 3.521 0.790 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.350 1.873 0.004 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.165 1.767 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.768 -0.631 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.150 0.415 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.085 -0.398 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.115 0.093 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.429 0.338 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.299 1.665 -0.169 1.00 0.00 H new ATOM 851 N GLY A 58 -25.037 2.633 1.613 1.00 0.00 N ATOM 852 CA GLY A 58 -26.072 3.043 2.607 1.00 0.00 C ATOM 853 C GLY A 58 -26.437 4.513 2.387 1.00 0.00 C ATOM 854 O GLY A 58 -25.580 5.376 2.384 1.00 0.00 O ATOM 0 H GLY A 58 -25.405 2.279 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.959 2.418 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.696 2.898 3.620 1.00 0.00 H new ATOM 858 N LYS A 59 -27.704 4.805 2.204 1.00 0.00 N ATOM 859 CA LYS A 59 -28.130 6.223 1.985 1.00 0.00 C ATOM 860 C LYS A 59 -27.925 7.033 3.272 1.00 0.00 C ATOM 861 O LYS A 59 -28.778 7.067 4.140 1.00 0.00 O ATOM 862 CB LYS A 59 -29.619 6.150 1.622 1.00 0.00 C ATOM 863 CG LYS A 59 -29.772 5.772 0.145 1.00 0.00 C ATOM 864 CD LYS A 59 -31.252 5.825 -0.246 1.00 0.00 C ATOM 865 CE LYS A 59 -31.429 5.281 -1.668 1.00 0.00 C ATOM 866 NZ LYS A 59 -32.814 4.729 -1.706 1.00 0.00 N ATOM 0 H LYS A 59 -28.461 4.121 2.197 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.552 6.712 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -30.121 5.414 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.097 7.111 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -29.196 6.456 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.375 4.772 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -31.845 5.238 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -31.617 6.851 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -31.299 6.069 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.691 4.510 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -33.006 4.339 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -32.907 3.976 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -33.496 5.487 -1.499 1.00 0.00 H new ATOM 880 N GLY A 60 -26.788 7.671 3.406 1.00 0.00 N ATOM 881 CA GLY A 60 -26.510 8.460 4.640 1.00 0.00 C ATOM 882 C GLY A 60 -25.848 7.547 5.675 1.00 0.00 C ATOM 883 O GLY A 60 -25.384 6.467 5.351 1.00 0.00 O ATOM 0 H GLY A 60 -26.041 7.678 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.858 9.303 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -27.436 8.873 5.040 1.00 0.00 H new ATOM 887 N TYR A 61 -25.798 7.966 6.914 1.00 0.00 N ATOM 888 CA TYR A 61 -25.166 7.114 7.969 1.00 0.00 C ATOM 889 C TYR A 61 -25.859 5.747 8.034 1.00 0.00 C ATOM 890 O TYR A 61 -27.068 5.645 7.934 1.00 0.00 O ATOM 891 CB TYR A 61 -25.364 7.882 9.279 1.00 0.00 C ATOM 892 CG TYR A 61 -24.663 7.162 10.408 1.00 0.00 C ATOM 893 CD1 TYR A 61 -23.320 7.439 10.688 1.00 0.00 C ATOM 894 CD2 TYR A 61 -25.359 6.220 11.176 1.00 0.00 C ATOM 895 CE1 TYR A 61 -22.672 6.774 11.736 1.00 0.00 C ATOM 896 CE2 TYR A 61 -24.711 5.556 12.223 1.00 0.00 C ATOM 897 CZ TYR A 61 -23.368 5.833 12.504 1.00 0.00 C ATOM 898 OH TYR A 61 -22.731 5.179 13.537 1.00 0.00 O ATOM 0 H TYR A 61 -26.166 8.859 7.241 1.00 0.00 H new ATOM 0 HA TYR A 61 -24.112 6.925 7.767 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -24.970 8.894 9.181 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -26.427 7.974 9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -22.784 8.166 10.096 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -26.395 6.006 10.960 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -21.635 6.987 11.952 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -25.247 4.829 12.815 1.00 0.00 H new ATOM 0 HH TYR A 61 -23.357 4.561 13.968 1.00 0.00 H new ATOM 908 N SER A 62 -25.095 4.701 8.203 1.00 0.00 N ATOM 909 CA SER A 62 -25.688 3.331 8.276 1.00 0.00 C ATOM 910 C SER A 62 -24.758 2.381 9.038 1.00 0.00 C ATOM 911 O SER A 62 -23.697 2.764 9.496 1.00 0.00 O ATOM 912 CB SER A 62 -25.841 2.882 6.820 1.00 0.00 C ATOM 913 OG SER A 62 -26.561 1.656 6.774 1.00 0.00 O ATOM 0 H SER A 62 -24.080 4.736 8.294 1.00 0.00 H new ATOM 0 HA SER A 62 -26.641 3.327 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 -26.366 3.646 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 62 -24.860 2.757 6.362 1.00 0.00 H new ATOM 0 HG SER A 62 -26.660 1.370 5.842 1.00 0.00 H new ATOM 919 N GLY A 63 -25.157 1.145 9.173 1.00 0.00 N ATOM 920 CA GLY A 63 -24.313 0.152 9.902 1.00 0.00 C ATOM 921 C GLY A 63 -24.926 -1.243 9.762 1.00 0.00 C ATOM 922 O GLY A 63 -25.806 -1.563 10.543 1.00 0.00 O ATOM 923 OXT GLY A 63 -24.505 -1.967 8.874 1.00 0.00 O ATOM 0 H GLY A 63 -26.036 0.778 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -23.299 0.157 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -24.240 0.424 10.955 1.00 0.00 H new TER 927 GLY A 63