USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 780 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 MET CE :methyl 160:sc= -13.5! (180deg=-14.9!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 22:sc= 0.462 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 78:sc= -5.25! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.45! C(o=-2.3!,f=-1.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 40 SER OG : rot 150:sc= -0.0839 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -20.1! C(o=-21!,f=-20!) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.102) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00119 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 12.701 5.799 -7.188 1.00 0.00 N ATOM 37 CA MET A 1 11.317 5.360 -7.146 1.00 0.00 C ATOM 38 C MET A 1 10.613 5.637 -8.476 1.00 0.00 C ATOM 39 O MET A 1 10.191 6.763 -8.736 1.00 0.00 O ATOM 40 CB MET A 1 10.584 6.089 -6.019 1.00 0.00 C ATOM 41 CG MET A 1 10.620 5.275 -4.724 1.00 0.00 C ATOM 42 SD MET A 1 8.993 5.218 -3.992 1.00 0.00 S ATOM 43 CE MET A 1 8.095 4.393 -5.295 1.00 0.00 C ATOM 0 H1 MET A 1 13.156 5.600 -6.274 1.00 0.00 H new ATOM 0 H2 MET A 1 13.204 5.291 -7.943 1.00 0.00 H new ATOM 0 H3 MET A 1 12.735 6.821 -7.377 1.00 0.00 H new ATOM 0 HA MET A 1 11.302 4.285 -6.965 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.043 7.064 -5.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.549 6.269 -6.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.970 4.264 -4.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.327 5.721 -4.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.180 3.961 -4.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.843 5.112 -6.074 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.713 3.601 -5.718 1.00 0.00 H new ATOM 53 N ASP A 2 10.508 4.591 -9.283 1.00 0.00 N ATOM 54 CA ASP A 2 9.862 4.708 -10.579 1.00 0.00 C ATOM 55 C ASP A 2 8.643 3.785 -10.622 1.00 0.00 C ATOM 56 O ASP A 2 8.457 2.955 -9.734 1.00 0.00 O ATOM 57 CB ASP A 2 10.810 4.293 -11.706 1.00 0.00 C ATOM 58 CG ASP A 2 10.354 4.686 -13.113 1.00 0.00 C ATOM 59 OD1 ASP A 2 9.688 5.738 -13.220 1.00 0.00 O ATOM 60 OD2 ASP A 2 10.683 3.926 -14.049 1.00 0.00 O ATOM 0 H ASP A 2 10.859 3.659 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 2 9.571 5.749 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.788 4.737 -11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.940 3.211 -11.671 1.00 0.00 H new ATOM 65 N LEU A 3 7.845 3.960 -11.665 1.00 0.00 N ATOM 66 CA LEU A 3 6.648 3.153 -11.836 1.00 0.00 C ATOM 67 C LEU A 3 7.049 1.688 -12.019 1.00 0.00 C ATOM 68 O LEU A 3 6.472 0.799 -11.394 1.00 0.00 O ATOM 69 CB LEU A 3 5.789 3.703 -12.976 1.00 0.00 C ATOM 70 CG LEU A 3 4.694 4.693 -12.573 1.00 0.00 C ATOM 71 CD1 LEU A 3 3.468 3.961 -12.024 1.00 0.00 C ATOM 72 CD2 LEU A 3 5.231 5.732 -11.587 1.00 0.00 C ATOM 0 H LEU A 3 8.004 4.649 -12.400 1.00 0.00 H new ATOM 0 HA LEU A 3 6.023 3.204 -10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.446 4.191 -13.696 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.321 2.863 -13.490 1.00 0.00 H new ATOM 0 HG LEU A 3 4.374 5.231 -13.465 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.705 4.688 -11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.071 3.293 -12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.754 3.380 -11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.433 6.424 -11.317 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.595 5.229 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.049 6.285 -12.050 1.00 0.00 H new ATOM 84 N GLU A 4 8.035 1.480 -12.880 1.00 0.00 N ATOM 85 CA GLU A 4 8.520 0.138 -13.153 1.00 0.00 C ATOM 86 C GLU A 4 8.908 -0.562 -11.850 1.00 0.00 C ATOM 87 O GLU A 4 8.699 -1.765 -11.700 1.00 0.00 O ATOM 88 CB GLU A 4 9.696 0.168 -14.131 1.00 0.00 C ATOM 89 CG GLU A 4 10.892 0.908 -13.528 1.00 0.00 C ATOM 90 CD GLU A 4 11.915 -0.077 -12.958 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.474 -1.007 -12.249 1.00 0.00 O ATOM 92 OE2 GLU A 4 13.115 0.122 -13.245 1.00 0.00 O ATOM 0 H GLU A 4 8.511 2.219 -13.398 1.00 0.00 H new ATOM 0 HA GLU A 4 7.716 -0.429 -13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.986 -0.851 -14.388 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.391 0.656 -15.057 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.364 1.527 -14.291 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.550 1.579 -12.740 1.00 0.00 H new ATOM 99 N THR A 5 9.468 0.221 -10.939 1.00 0.00 N ATOM 100 CA THR A 5 9.888 -0.309 -9.653 1.00 0.00 C ATOM 101 C THR A 5 8.684 -0.464 -8.721 1.00 0.00 C ATOM 102 O THR A 5 8.654 -1.366 -7.886 1.00 0.00 O ATOM 103 CB THR A 5 10.974 0.612 -9.094 1.00 0.00 C ATOM 104 OG1 THR A 5 12.181 0.111 -9.661 1.00 0.00 O ATOM 105 CG2 THR A 5 11.170 0.438 -7.586 1.00 0.00 C ATOM 0 H THR A 5 9.640 1.218 -11.066 1.00 0.00 H new ATOM 0 HA THR A 5 10.310 -1.308 -9.756 1.00 0.00 H new ATOM 0 HB THR A 5 10.716 1.649 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.974 -0.405 -10.468 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.952 1.114 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.238 0.666 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.460 -0.591 -7.373 1.00 0.00 H new ATOM 113 N LEU A 6 7.721 0.429 -8.897 1.00 0.00 N ATOM 114 CA LEU A 6 6.518 0.403 -8.082 1.00 0.00 C ATOM 115 C LEU A 6 5.855 -0.971 -8.204 1.00 0.00 C ATOM 116 O LEU A 6 5.609 -1.637 -7.200 1.00 0.00 O ATOM 117 CB LEU A 6 5.596 1.566 -8.451 1.00 0.00 C ATOM 118 CG LEU A 6 5.643 2.780 -7.522 1.00 0.00 C ATOM 119 CD1 LEU A 6 5.864 2.352 -6.070 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.696 3.787 -7.989 1.00 0.00 C ATOM 0 H LEU A 6 7.749 1.175 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 6 6.766 0.545 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.845 1.895 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.571 1.196 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 6 4.676 3.281 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.893 3.235 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.048 1.702 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.808 1.814 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.709 4.641 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.677 3.312 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.453 4.127 -8.996 1.00 0.00 H new ATOM 132 N ARG A 7 5.585 -1.354 -9.444 1.00 0.00 N ATOM 133 CA ARG A 7 4.956 -2.636 -9.710 1.00 0.00 C ATOM 134 C ARG A 7 5.920 -3.779 -9.385 1.00 0.00 C ATOM 135 O ARG A 7 5.491 -4.872 -9.019 1.00 0.00 O ATOM 136 CB ARG A 7 4.523 -2.744 -11.174 1.00 0.00 C ATOM 137 CG ARG A 7 5.735 -2.900 -12.094 1.00 0.00 C ATOM 138 CD ARG A 7 5.594 -2.023 -13.340 1.00 0.00 C ATOM 139 NE ARG A 7 4.556 -2.579 -14.236 1.00 0.00 N ATOM 140 CZ ARG A 7 4.719 -3.681 -14.981 1.00 0.00 C ATOM 141 NH1 ARG A 7 5.879 -4.351 -14.941 1.00 0.00 N ATOM 142 NH2 ARG A 7 3.723 -4.113 -15.765 1.00 0.00 N ATOM 0 H ARG A 7 5.790 -0.799 -10.275 1.00 0.00 H new ATOM 0 HA ARG A 7 4.073 -2.710 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.856 -3.597 -11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.959 -1.855 -11.457 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.643 -2.629 -11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.840 -3.944 -12.390 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.329 -1.006 -13.051 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.547 -1.967 -13.865 1.00 0.00 H new ATOM 0 HE ARG A 7 3.661 -2.093 -14.290 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.638 -4.022 -14.344 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.003 -5.190 -15.508 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.840 -3.603 -15.795 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.847 -4.952 -16.332 1.00 0.00 H new ATOM 156 N ALA A 8 7.204 -3.487 -9.531 1.00 0.00 N ATOM 157 CA ALA A 8 8.232 -4.476 -9.258 1.00 0.00 C ATOM 158 C ALA A 8 8.265 -4.771 -7.757 1.00 0.00 C ATOM 159 O ALA A 8 8.258 -5.931 -7.348 1.00 0.00 O ATOM 160 CB ALA A 8 9.578 -3.972 -9.783 1.00 0.00 C ATOM 0 H ALA A 8 7.556 -2.579 -9.835 1.00 0.00 H new ATOM 0 HA ALA A 8 8.011 -5.411 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.349 -4.714 -9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.510 -3.806 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.834 -3.036 -9.287 1.00 0.00 H new ATOM 166 N ARG A 9 8.299 -3.700 -6.977 1.00 0.00 N ATOM 167 CA ARG A 9 8.333 -3.829 -5.530 1.00 0.00 C ATOM 168 C ARG A 9 6.994 -4.360 -5.014 1.00 0.00 C ATOM 169 O ARG A 9 6.950 -5.073 -4.012 1.00 0.00 O ATOM 170 CB ARG A 9 8.631 -2.484 -4.864 1.00 0.00 C ATOM 171 CG ARG A 9 7.646 -2.205 -3.727 1.00 0.00 C ATOM 172 CD ARG A 9 6.371 -1.546 -4.257 1.00 0.00 C ATOM 173 NE ARG A 9 5.857 -0.571 -3.268 1.00 0.00 N ATOM 174 CZ ARG A 9 5.029 -0.886 -2.263 1.00 0.00 C ATOM 175 NH1 ARG A 9 4.616 -2.152 -2.107 1.00 0.00 N ATOM 176 NH2 ARG A 9 4.614 0.064 -1.414 1.00 0.00 N ATOM 0 H ARG A 9 8.304 -2.739 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 9 9.128 -4.530 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.650 -2.484 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.572 -1.686 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.395 -3.137 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.114 -1.557 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.577 -1.044 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.615 -2.306 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 9 6.152 0.401 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.932 -2.875 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.986 -2.392 -1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.928 1.027 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.984 -0.176 -0.649 1.00 0.00 H new ATOM 190 N ARG A 10 5.935 -3.993 -5.720 1.00 0.00 N ATOM 191 CA ARG A 10 4.599 -4.424 -5.346 1.00 0.00 C ATOM 192 C ARG A 10 4.470 -5.941 -5.493 1.00 0.00 C ATOM 193 O ARG A 10 3.722 -6.578 -4.753 1.00 0.00 O ATOM 194 CB ARG A 10 3.538 -3.742 -6.211 1.00 0.00 C ATOM 195 CG ARG A 10 2.628 -2.851 -5.363 1.00 0.00 C ATOM 196 CD ARG A 10 2.777 -1.380 -5.758 1.00 0.00 C ATOM 197 NE ARG A 10 2.754 -1.248 -7.232 1.00 0.00 N ATOM 198 CZ ARG A 10 1.637 -1.088 -7.955 1.00 0.00 C ATOM 199 NH1 ARG A 10 0.445 -1.041 -7.345 1.00 0.00 N ATOM 200 NH2 ARG A 10 1.712 -0.976 -9.288 1.00 0.00 N ATOM 0 H ARG A 10 5.975 -3.401 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 10 4.439 -4.142 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.023 -3.143 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.940 -4.497 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.591 -3.161 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.873 -2.974 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.970 -0.793 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.712 -0.982 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 10 3.644 -1.281 -7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.388 -1.127 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.405 -0.919 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.619 -1.013 -9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.862 -0.854 -9.838 1.00 0.00 H new ATOM 214 N GLU A 11 5.209 -6.476 -6.454 1.00 0.00 N ATOM 215 CA GLU A 11 5.186 -7.906 -6.707 1.00 0.00 C ATOM 216 C GLU A 11 5.801 -8.664 -5.529 1.00 0.00 C ATOM 217 O GLU A 11 5.221 -9.632 -5.038 1.00 0.00 O ATOM 218 CB GLU A 11 5.910 -8.243 -8.013 1.00 0.00 C ATOM 219 CG GLU A 11 5.007 -9.052 -8.946 1.00 0.00 C ATOM 220 CD GLU A 11 5.748 -9.432 -10.231 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.905 -9.886 -10.105 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.139 -9.260 -11.309 1.00 0.00 O ATOM 0 H GLU A 11 5.827 -5.944 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 11 4.147 -8.220 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.221 -7.323 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.815 -8.810 -7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.667 -9.954 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.118 -8.471 -9.192 1.00 0.00 H new ATOM 229 N ALA A 12 6.966 -8.195 -5.108 1.00 0.00 N ATOM 230 CA ALA A 12 7.666 -8.817 -3.996 1.00 0.00 C ATOM 231 C ALA A 12 6.954 -8.461 -2.689 1.00 0.00 C ATOM 232 O ALA A 12 6.880 -9.281 -1.775 1.00 0.00 O ATOM 233 CB ALA A 12 9.130 -8.374 -4.002 1.00 0.00 C ATOM 0 H ALA A 12 7.443 -7.391 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 12 7.654 -9.903 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.655 -8.840 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.598 -8.676 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.182 -7.290 -3.903 1.00 0.00 H new ATOM 239 N VAL A 13 6.450 -7.237 -2.641 1.00 0.00 N ATOM 240 CA VAL A 13 5.747 -6.762 -1.461 1.00 0.00 C ATOM 241 C VAL A 13 4.433 -7.531 -1.312 1.00 0.00 C ATOM 242 O VAL A 13 3.993 -7.806 -0.197 1.00 0.00 O ATOM 243 CB VAL A 13 5.547 -5.248 -1.545 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.359 -4.803 -0.689 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.822 -4.504 -1.142 1.00 0.00 C ATOM 0 H VAL A 13 6.514 -6.559 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 13 6.337 -6.949 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 13 5.325 -4.996 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.239 -3.722 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.452 -5.295 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.538 -5.074 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.653 -3.429 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.087 -4.765 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.635 -4.787 -1.811 1.00 0.00 H new ATOM 255 N LEU A 14 3.842 -7.857 -2.453 1.00 0.00 N ATOM 256 CA LEU A 14 2.586 -8.588 -2.463 1.00 0.00 C ATOM 257 C LEU A 14 2.791 -9.953 -1.803 1.00 0.00 C ATOM 258 O LEU A 14 1.941 -10.413 -1.043 1.00 0.00 O ATOM 259 CB LEU A 14 2.026 -8.671 -3.884 1.00 0.00 C ATOM 260 CG LEU A 14 1.159 -7.492 -4.332 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.320 -7.882 -4.370 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.406 -6.265 -3.453 1.00 0.00 C ATOM 0 H LEU A 14 4.210 -7.628 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 14 1.833 -8.060 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.861 -8.767 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.436 -9.583 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 14 1.447 -7.223 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.914 -7.026 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.461 -8.705 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.640 -8.193 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.778 -5.442 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.163 -6.504 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.454 -5.974 -3.521 1.00 0.00 H new ATOM 274 N SER A 15 3.925 -10.563 -2.117 1.00 0.00 N ATOM 275 CA SER A 15 4.253 -11.866 -1.563 1.00 0.00 C ATOM 276 C SER A 15 4.361 -11.775 -0.040 1.00 0.00 C ATOM 277 O SER A 15 3.839 -12.629 0.675 1.00 0.00 O ATOM 278 CB SER A 15 5.556 -12.404 -2.157 1.00 0.00 C ATOM 279 OG SER A 15 5.448 -13.776 -2.527 1.00 0.00 O ATOM 0 H SER A 15 4.628 -10.179 -2.748 1.00 0.00 H new ATOM 0 HA SER A 15 3.453 -12.560 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.827 -11.813 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.361 -12.287 -1.431 1.00 0.00 H new ATOM 0 HG SER A 15 6.300 -14.081 -2.903 1.00 0.00 H new ATOM 285 N LEU A 16 5.042 -10.733 0.412 1.00 0.00 N ATOM 286 CA LEU A 16 5.226 -10.520 1.838 1.00 0.00 C ATOM 287 C LEU A 16 3.920 -10.001 2.443 1.00 0.00 C ATOM 288 O LEU A 16 3.630 -10.254 3.612 1.00 0.00 O ATOM 289 CB LEU A 16 6.427 -9.607 2.093 1.00 0.00 C ATOM 290 CG LEU A 16 6.400 -8.250 1.387 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.533 -7.250 2.153 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.818 -7.722 1.159 1.00 0.00 C ATOM 0 H LEU A 16 5.473 -10.026 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 16 5.459 -11.461 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.505 -9.434 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.331 -10.135 1.788 1.00 0.00 H new ATOM 0 HG LEU A 16 5.945 -8.385 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.531 -6.294 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.513 -7.629 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.936 -7.113 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.770 -6.756 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.322 -7.606 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.373 -8.427 0.540 1.00 0.00 H new ATOM 304 N CYS A 17 3.167 -9.285 1.622 1.00 0.00 N ATOM 305 CA CYS A 17 1.899 -8.729 2.062 1.00 0.00 C ATOM 306 C CYS A 17 1.023 -9.875 2.573 1.00 0.00 C ATOM 307 O CYS A 17 0.366 -9.746 3.605 1.00 0.00 O ATOM 308 CB CYS A 17 1.210 -7.938 0.948 1.00 0.00 C ATOM 309 SG CYS A 17 -0.171 -8.913 0.249 1.00 0.00 S ATOM 0 H CYS A 17 3.411 -9.077 0.654 1.00 0.00 H new ATOM 0 HA CYS A 17 2.073 -8.017 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.836 -6.992 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.928 -7.696 0.165 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.196 -8.848 1.046 1.00 0.00 H new ATOM 315 N ALA A 18 1.042 -10.970 1.827 1.00 0.00 N ATOM 316 CA ALA A 18 0.258 -12.138 2.191 1.00 0.00 C ATOM 317 C ALA A 18 0.878 -12.798 3.425 1.00 0.00 C ATOM 318 O ALA A 18 0.167 -13.362 4.255 1.00 0.00 O ATOM 319 CB ALA A 18 0.178 -13.091 0.998 1.00 0.00 C ATOM 0 H ALA A 18 1.588 -11.073 0.972 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.762 -11.852 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.410 -13.967 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.296 -12.583 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.183 -13.403 0.713 1.00 0.00 H new ATOM 325 N ARG A 19 2.197 -12.706 3.506 1.00 0.00 N ATOM 326 CA ARG A 19 2.921 -13.287 4.623 1.00 0.00 C ATOM 327 C ARG A 19 2.613 -12.521 5.911 1.00 0.00 C ATOM 328 O ARG A 19 2.438 -13.123 6.970 1.00 0.00 O ATOM 329 CB ARG A 19 4.430 -13.266 4.374 1.00 0.00 C ATOM 330 CG ARG A 19 4.797 -14.119 3.158 1.00 0.00 C ATOM 331 CD ARG A 19 5.840 -15.177 3.525 1.00 0.00 C ATOM 332 NE ARG A 19 6.769 -15.387 2.392 1.00 0.00 N ATOM 333 CZ ARG A 19 7.870 -16.148 2.455 1.00 0.00 C ATOM 334 NH1 ARG A 19 8.187 -16.776 3.595 1.00 0.00 N ATOM 335 NH2 ARG A 19 8.654 -16.281 1.377 1.00 0.00 N ATOM 0 H ARG A 19 2.783 -12.237 2.815 1.00 0.00 H new ATOM 0 HA ARG A 19 2.596 -14.323 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.762 -12.240 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.953 -13.638 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.903 -14.605 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.185 -13.480 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.396 -14.861 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.345 -16.114 3.779 1.00 0.00 H new ATOM 0 HE ARG A 19 6.558 -14.924 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.590 -16.675 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.025 -17.355 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.413 -15.803 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.492 -16.860 1.424 1.00 0.00 H new ATOM 349 N HIS A 20 2.556 -11.204 5.779 1.00 0.00 N ATOM 350 CA HIS A 20 2.272 -10.349 6.919 1.00 0.00 C ATOM 351 C HIS A 20 0.783 -10.429 7.263 1.00 0.00 C ATOM 352 O HIS A 20 0.406 -10.337 8.430 1.00 0.00 O ATOM 353 CB HIS A 20 2.743 -8.918 6.656 1.00 0.00 C ATOM 354 CG HIS A 20 4.244 -8.751 6.682 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.155 -8.716 5.667 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.961 -8.597 7.856 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.362 -8.549 6.192 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.244 -8.475 7.549 1.00 0.00 N flip ATOM 0 H HIS A 20 2.702 -10.708 4.900 1.00 0.00 H new ATOM 0 HA HIS A 20 2.829 -10.699 7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.369 -8.596 5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.301 -8.258 7.403 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.944 -8.803 4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.545 -8.579 8.853 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.286 -8.483 5.636 1.00 0.00 H new ATOM 366 N GLY A 21 -0.022 -10.600 6.225 1.00 0.00 N ATOM 367 CA GLY A 21 -1.462 -10.693 6.402 1.00 0.00 C ATOM 368 C GLY A 21 -2.166 -9.465 5.821 1.00 0.00 C ATOM 369 O GLY A 21 -2.936 -8.801 6.514 1.00 0.00 O ATOM 0 H GLY A 21 0.295 -10.677 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.834 -11.594 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.697 -10.783 7.463 1.00 0.00 H new ATOM 373 N ALA A 22 -1.878 -9.201 4.555 1.00 0.00 N ATOM 374 CA ALA A 22 -2.475 -8.065 3.873 1.00 0.00 C ATOM 375 C ALA A 22 -3.182 -8.550 2.606 1.00 0.00 C ATOM 376 O ALA A 22 -2.620 -9.328 1.836 1.00 0.00 O ATOM 377 CB ALA A 22 -1.395 -7.023 3.576 1.00 0.00 C ATOM 0 H ALA A 22 -1.239 -9.754 3.984 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.223 -7.588 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.842 -6.171 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.944 -6.689 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.628 -7.465 2.941 1.00 0.00 H new ATOM 383 N VAL A 23 -4.404 -8.071 2.428 1.00 0.00 N ATOM 384 CA VAL A 23 -5.194 -8.447 1.268 1.00 0.00 C ATOM 385 C VAL A 23 -5.547 -7.190 0.469 1.00 0.00 C ATOM 386 O VAL A 23 -4.875 -6.167 0.586 1.00 0.00 O ATOM 387 CB VAL A 23 -6.426 -9.241 1.707 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.036 -10.373 2.660 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.471 -8.324 2.345 1.00 0.00 C ATOM 0 H VAL A 23 -4.867 -7.425 3.068 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.620 -9.101 0.611 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.871 -9.688 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.929 -10.922 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.345 -11.050 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.556 -9.955 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.336 -8.914 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.041 -7.835 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.782 -7.569 1.623 1.00 0.00 H new ATOM 399 N ARG A 24 -6.600 -7.310 -0.326 1.00 0.00 N ATOM 400 CA ARG A 24 -7.050 -6.196 -1.144 1.00 0.00 C ATOM 401 C ARG A 24 -5.851 -5.410 -1.677 1.00 0.00 C ATOM 402 O ARG A 24 -5.934 -4.198 -1.867 1.00 0.00 O ATOM 403 CB ARG A 24 -7.954 -5.255 -0.345 1.00 0.00 C ATOM 404 CG ARG A 24 -9.415 -5.702 -0.421 1.00 0.00 C ATOM 405 CD ARG A 24 -10.019 -5.373 -1.787 1.00 0.00 C ATOM 406 NE ARG A 24 -11.054 -6.371 -2.138 1.00 0.00 N ATOM 407 CZ ARG A 24 -12.276 -6.410 -1.590 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.624 -5.506 -0.664 1.00 0.00 N ATOM 409 NH2 ARG A 24 -13.150 -7.352 -1.969 1.00 0.00 N ATOM 0 H ARG A 24 -7.154 -8.161 -0.421 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.619 -6.606 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.631 -5.231 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.860 -4.240 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.481 -6.775 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.991 -5.210 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.456 -4.375 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.237 -5.365 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.823 -7.073 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.959 -4.788 -0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.554 -5.536 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.885 -8.039 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.080 -7.382 -1.552 1.00 0.00 H new ATOM 423 N VAL A 25 -4.763 -6.133 -1.903 1.00 0.00 N ATOM 424 CA VAL A 25 -3.548 -5.518 -2.410 1.00 0.00 C ATOM 425 C VAL A 25 -3.890 -4.646 -3.620 1.00 0.00 C ATOM 426 O VAL A 25 -4.116 -5.159 -4.715 1.00 0.00 O ATOM 427 CB VAL A 25 -2.509 -6.596 -2.724 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.847 -7.109 -1.443 1.00 0.00 C ATOM 429 CG2 VAL A 25 -3.133 -7.746 -3.517 1.00 0.00 C ATOM 0 H VAL A 25 -4.698 -7.138 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.105 -4.868 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.735 -6.144 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.113 -7.874 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.350 -6.283 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.606 -7.536 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.372 -8.498 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.937 -8.196 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.535 -7.365 -4.456 1.00 0.00 H new ATOM 439 N ARG A 26 -3.917 -3.343 -3.382 1.00 0.00 N ATOM 440 CA ARG A 26 -4.227 -2.395 -4.438 1.00 0.00 C ATOM 441 C ARG A 26 -3.563 -1.047 -4.153 1.00 0.00 C ATOM 442 O ARG A 26 -3.274 -0.724 -3.002 1.00 0.00 O ATOM 443 CB ARG A 26 -5.737 -2.194 -4.572 1.00 0.00 C ATOM 444 CG ARG A 26 -6.336 -3.185 -5.572 1.00 0.00 C ATOM 445 CD ARG A 26 -7.583 -3.859 -4.997 1.00 0.00 C ATOM 446 NE ARG A 26 -8.309 -4.580 -6.067 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.112 -3.987 -6.960 1.00 0.00 C ATOM 448 NH1 ARG A 26 -9.298 -2.660 -6.918 1.00 0.00 N ATOM 449 NH2 ARG A 26 -9.730 -4.720 -7.896 1.00 0.00 N ATOM 0 H ARG A 26 -3.729 -2.921 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.842 -2.803 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.212 -2.322 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.944 -1.174 -4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.592 -2.665 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.595 -3.942 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.299 -4.554 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.234 -3.111 -4.545 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.190 -5.591 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.828 -2.101 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.910 -2.209 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.589 -5.730 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.342 -4.268 -8.576 1.00 0.00 H new ATOM 463 N VAL A 27 -3.340 -0.295 -5.221 1.00 0.00 N ATOM 464 CA VAL A 27 -2.716 1.011 -5.100 1.00 0.00 C ATOM 465 C VAL A 27 -3.737 2.095 -5.452 1.00 0.00 C ATOM 466 O VAL A 27 -4.301 2.089 -6.546 1.00 0.00 O ATOM 467 CB VAL A 27 -1.457 1.072 -5.967 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.806 0.941 -7.451 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.669 2.357 -5.701 1.00 0.00 C ATOM 0 H VAL A 27 -3.581 -0.566 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.396 1.187 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.823 0.228 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.893 0.988 -8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.304 -0.013 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.470 1.755 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.221 2.375 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.293 3.221 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.373 2.392 -4.653 1.00 0.00 H new ATOM 479 N PHE A 28 -3.945 2.998 -4.505 1.00 0.00 N ATOM 480 CA PHE A 28 -4.889 4.085 -4.702 1.00 0.00 C ATOM 481 C PHE A 28 -4.208 5.442 -4.519 1.00 0.00 C ATOM 482 O PHE A 28 -3.279 5.572 -3.723 1.00 0.00 O ATOM 483 CB PHE A 28 -5.980 3.928 -3.641 1.00 0.00 C ATOM 484 CG PHE A 28 -5.584 4.450 -2.259 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.583 5.787 -2.012 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.233 3.577 -1.277 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.215 6.272 -0.729 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.865 4.062 0.006 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.864 5.399 0.253 1.00 0.00 C ATOM 0 H PHE A 28 -3.476 2.999 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.296 4.046 -5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.875 4.454 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.243 2.873 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.862 6.480 -2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.234 2.515 -1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.214 7.334 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.586 3.369 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.585 5.768 1.229 1.00 0.00 H new ATOM 499 N GLY A 29 -4.696 6.420 -5.268 1.00 0.00 N ATOM 500 CA GLY A 29 -4.146 7.763 -5.198 1.00 0.00 C ATOM 501 C GLY A 29 -3.403 8.119 -6.487 1.00 0.00 C ATOM 502 O GLY A 29 -3.488 7.394 -7.477 1.00 0.00 O ATOM 0 H GLY A 29 -5.467 6.309 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.949 8.480 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.466 7.838 -4.350 1.00 0.00 H new ATOM 506 N SER A 30 -2.692 9.236 -6.434 1.00 0.00 N ATOM 507 CA SER A 30 -1.935 9.697 -7.585 1.00 0.00 C ATOM 508 C SER A 30 -0.893 8.649 -7.980 1.00 0.00 C ATOM 509 O SER A 30 -0.639 8.437 -9.165 1.00 0.00 O ATOM 510 CB SER A 30 -1.256 11.037 -7.297 1.00 0.00 C ATOM 511 OG SER A 30 -0.967 11.202 -5.911 1.00 0.00 O ATOM 0 H SER A 30 -2.624 9.835 -5.611 1.00 0.00 H new ATOM 0 HA SER A 30 -2.628 9.842 -8.414 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.332 11.106 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.901 11.850 -7.632 1.00 0.00 H new ATOM 0 HG SER A 30 -0.532 12.069 -5.768 1.00 0.00 H new ATOM 517 N VAL A 31 -0.318 8.020 -6.966 1.00 0.00 N ATOM 518 CA VAL A 31 0.690 6.999 -7.193 1.00 0.00 C ATOM 519 C VAL A 31 0.089 5.873 -8.036 1.00 0.00 C ATOM 520 O VAL A 31 0.781 5.267 -8.853 1.00 0.00 O ATOM 521 CB VAL A 31 1.250 6.510 -5.855 1.00 0.00 C ATOM 522 CG1 VAL A 31 2.217 7.534 -5.258 1.00 0.00 C ATOM 523 CG2 VAL A 31 0.121 6.185 -4.875 1.00 0.00 C ATOM 0 H VAL A 31 -0.531 8.198 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 31 1.531 7.410 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 31 1.808 5.592 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.600 7.162 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.047 7.695 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.694 8.476 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.546 5.840 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.476 7.080 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.512 5.404 -5.295 1.00 0.00 H new ATOM 533 N ALA A 32 -1.193 5.627 -7.810 1.00 0.00 N ATOM 534 CA ALA A 32 -1.895 4.585 -8.539 1.00 0.00 C ATOM 535 C ALA A 32 -1.822 4.880 -10.039 1.00 0.00 C ATOM 536 O ALA A 32 -1.600 3.976 -10.843 1.00 0.00 O ATOM 537 CB ALA A 32 -3.336 4.489 -8.033 1.00 0.00 C ATOM 0 H ALA A 32 -1.764 6.132 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.425 3.616 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.862 3.707 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.333 4.249 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.840 5.443 -8.188 1.00 0.00 H new ATOM 543 N ARG A 33 -2.013 6.148 -10.370 1.00 0.00 N ATOM 544 CA ARG A 33 -1.972 6.574 -11.758 1.00 0.00 C ATOM 545 C ARG A 33 -0.522 6.721 -12.225 1.00 0.00 C ATOM 546 O ARG A 33 -0.270 7.050 -13.383 1.00 0.00 O ATOM 547 CB ARG A 33 -2.699 7.907 -11.948 1.00 0.00 C ATOM 548 CG ARG A 33 -4.039 7.704 -12.660 1.00 0.00 C ATOM 549 CD ARG A 33 -3.834 7.481 -14.160 1.00 0.00 C ATOM 550 NE ARG A 33 -4.380 8.627 -14.921 1.00 0.00 N ATOM 551 CZ ARG A 33 -5.685 8.820 -15.154 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.586 7.944 -14.687 1.00 0.00 N ATOM 553 NH2 ARG A 33 -6.090 9.888 -15.855 1.00 0.00 N ATOM 0 H ARG A 33 -2.197 6.895 -9.700 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.474 5.812 -12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.866 8.376 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.074 8.587 -12.528 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.558 6.848 -12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.675 8.575 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.772 7.363 -14.377 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.327 6.560 -14.470 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.722 9.313 -15.291 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.278 7.131 -14.154 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.580 8.091 -14.864 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.405 10.554 -16.211 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.084 10.035 -16.032 1.00 0.00 H new ATOM 567 N GLY A 34 0.392 6.471 -11.300 1.00 0.00 N ATOM 568 CA GLY A 34 1.810 6.571 -11.603 1.00 0.00 C ATOM 569 C GLY A 34 2.305 8.010 -11.438 1.00 0.00 C ATOM 570 O GLY A 34 3.138 8.476 -12.214 1.00 0.00 O ATOM 0 H GLY A 34 0.179 6.199 -10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.374 5.911 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.992 6.235 -12.624 1.00 0.00 H new ATOM 574 N GLU A 35 1.771 8.673 -10.423 1.00 0.00 N ATOM 575 CA GLU A 35 2.148 10.049 -10.147 1.00 0.00 C ATOM 576 C GLU A 35 2.752 10.163 -8.746 1.00 0.00 C ATOM 577 O GLU A 35 2.134 9.752 -7.765 1.00 0.00 O ATOM 578 CB GLU A 35 0.951 10.988 -10.307 1.00 0.00 C ATOM 579 CG GLU A 35 0.587 11.168 -11.782 1.00 0.00 C ATOM 580 CD GLU A 35 0.951 12.572 -12.269 1.00 0.00 C ATOM 581 OE1 GLU A 35 0.317 13.527 -11.772 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.856 12.658 -13.127 1.00 0.00 O ATOM 0 H GLU A 35 1.080 8.283 -9.782 1.00 0.00 H new ATOM 0 HA GLU A 35 2.904 10.351 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.095 10.587 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.183 11.957 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.110 10.424 -12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.480 10.997 -11.920 1.00 0.00 H new ATOM 589 N ALA A 36 3.951 10.723 -8.697 1.00 0.00 N ATOM 590 CA ALA A 36 4.645 10.896 -7.432 1.00 0.00 C ATOM 591 C ALA A 36 6.058 11.420 -7.698 1.00 0.00 C ATOM 592 O ALA A 36 6.834 10.788 -8.414 1.00 0.00 O ATOM 593 CB ALA A 36 4.649 9.572 -6.666 1.00 0.00 C ATOM 0 H ALA A 36 4.460 11.063 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 36 4.132 11.630 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.170 9.702 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.622 9.258 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.158 8.811 -7.258 1.00 0.00 H new ATOM 599 N ARG A 37 6.350 12.569 -7.107 1.00 0.00 N ATOM 600 CA ARG A 37 7.656 13.185 -7.272 1.00 0.00 C ATOM 601 C ARG A 37 8.696 12.460 -6.414 1.00 0.00 C ATOM 602 O ARG A 37 8.392 11.446 -5.788 1.00 0.00 O ATOM 603 CB ARG A 37 7.621 14.663 -6.879 1.00 0.00 C ATOM 604 CG ARG A 37 6.885 14.861 -5.552 1.00 0.00 C ATOM 605 CD ARG A 37 5.493 15.452 -5.780 1.00 0.00 C ATOM 606 NE ARG A 37 5.549 16.928 -5.694 1.00 0.00 N ATOM 607 CZ ARG A 37 4.501 17.704 -5.388 1.00 0.00 C ATOM 608 NH1 ARG A 37 3.307 17.148 -5.135 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.645 19.035 -5.333 1.00 0.00 N ATOM 0 H ARG A 37 5.705 13.090 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 37 7.930 13.107 -8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.639 15.045 -6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.128 15.239 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.798 13.906 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.463 15.522 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.117 15.151 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.797 15.062 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 37 6.443 17.384 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.197 16.135 -5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.509 17.738 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.553 19.458 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.846 19.625 -5.100 1.00 0.00 H new ATOM 623 N GLU A 38 9.901 13.010 -6.413 1.00 0.00 N ATOM 624 CA GLU A 38 10.988 12.429 -5.643 1.00 0.00 C ATOM 625 C GLU A 38 10.818 12.753 -4.157 1.00 0.00 C ATOM 626 O GLU A 38 11.613 12.315 -3.328 1.00 0.00 O ATOM 627 CB GLU A 38 12.345 12.912 -6.158 1.00 0.00 C ATOM 628 CG GLU A 38 12.506 12.607 -7.648 1.00 0.00 C ATOM 629 CD GLU A 38 13.523 13.550 -8.294 1.00 0.00 C ATOM 630 OE1 GLU A 38 14.611 13.706 -7.698 1.00 0.00 O ATOM 631 OE2 GLU A 38 13.190 14.093 -9.370 1.00 0.00 O ATOM 0 H GLU A 38 10.149 13.852 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 38 10.955 11.346 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.441 13.985 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.144 12.429 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.828 11.574 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.543 12.706 -8.149 1.00 0.00 H new ATOM 638 N ASP A 39 9.776 13.518 -3.867 1.00 0.00 N ATOM 639 CA ASP A 39 9.491 13.905 -2.496 1.00 0.00 C ATOM 640 C ASP A 39 8.019 13.629 -2.187 1.00 0.00 C ATOM 641 O ASP A 39 7.445 14.235 -1.284 1.00 0.00 O ATOM 642 CB ASP A 39 9.747 15.399 -2.281 1.00 0.00 C ATOM 643 CG ASP A 39 9.582 15.882 -0.839 1.00 0.00 C ATOM 644 OD1 ASP A 39 10.479 15.564 -0.028 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.564 16.560 -0.580 1.00 0.00 O ATOM 0 H ASP A 39 9.119 13.880 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 39 10.144 13.328 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.759 15.630 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.066 15.964 -2.918 1.00 0.00 H new ATOM 650 N SER A 40 7.448 12.711 -2.955 1.00 0.00 N ATOM 651 CA SER A 40 6.054 12.347 -2.774 1.00 0.00 C ATOM 652 C SER A 40 5.951 11.064 -1.946 1.00 0.00 C ATOM 653 O SER A 40 6.886 10.266 -1.913 1.00 0.00 O ATOM 654 CB SER A 40 5.353 12.165 -4.122 1.00 0.00 C ATOM 655 OG SER A 40 4.216 11.313 -4.023 1.00 0.00 O ATOM 0 H SER A 40 7.926 12.209 -3.703 1.00 0.00 H new ATOM 0 HA SER A 40 5.556 13.157 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.044 13.138 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.056 11.748 -4.843 1.00 0.00 H new ATOM 0 HG SER A 40 3.551 11.576 -4.693 1.00 0.00 H new ATOM 661 N ASP A 41 4.806 10.907 -1.298 1.00 0.00 N ATOM 662 CA ASP A 41 4.569 9.735 -0.472 1.00 0.00 C ATOM 663 C ASP A 41 3.818 8.683 -1.291 1.00 0.00 C ATOM 664 O ASP A 41 3.289 8.984 -2.360 1.00 0.00 O ATOM 665 CB ASP A 41 3.713 10.084 0.747 1.00 0.00 C ATOM 666 CG ASP A 41 2.551 11.039 0.469 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.850 10.802 -0.539 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.389 11.985 1.270 1.00 0.00 O ATOM 0 H ASP A 41 4.033 11.571 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 41 5.535 9.357 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.313 9.161 1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.355 10.528 1.508 1.00 0.00 H new ATOM 673 N LEU A 42 3.796 7.470 -0.758 1.00 0.00 N ATOM 674 CA LEU A 42 3.119 6.371 -1.426 1.00 0.00 C ATOM 675 C LEU A 42 1.922 5.927 -0.582 1.00 0.00 C ATOM 676 O LEU A 42 2.051 5.718 0.623 1.00 0.00 O ATOM 677 CB LEU A 42 4.105 5.243 -1.736 1.00 0.00 C ATOM 678 CG LEU A 42 3.487 3.875 -2.033 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.852 3.277 -0.776 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.492 3.962 -3.192 1.00 0.00 C ATOM 0 H LEU A 42 4.236 7.224 0.129 1.00 0.00 H new ATOM 0 HA LEU A 42 2.728 6.695 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.709 5.541 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.783 5.137 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 42 4.284 3.200 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.420 2.305 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.614 3.157 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.069 3.943 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.068 2.976 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.693 4.657 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.005 4.315 -4.087 1.00 0.00 H new ATOM 692 N ASP A 43 0.784 5.797 -1.249 1.00 0.00 N ATOM 693 CA ASP A 43 -0.434 5.381 -0.576 1.00 0.00 C ATOM 694 C ASP A 43 -0.787 3.955 -1.002 1.00 0.00 C ATOM 695 O ASP A 43 -1.018 3.695 -2.182 1.00 0.00 O ATOM 696 CB ASP A 43 -1.607 6.290 -0.949 1.00 0.00 C ATOM 697 CG ASP A 43 -1.670 7.612 -0.183 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.768 7.543 1.062 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.618 8.663 -0.858 1.00 0.00 O ATOM 0 H ASP A 43 0.680 5.973 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.261 5.437 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.553 6.508 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.536 5.746 -0.781 1.00 0.00 H new ATOM 704 N LEU A 44 -0.816 3.067 -0.019 1.00 0.00 N ATOM 705 CA LEU A 44 -1.136 1.674 -0.278 1.00 0.00 C ATOM 706 C LEU A 44 -2.213 1.211 0.706 1.00 0.00 C ATOM 707 O LEU A 44 -2.050 1.345 1.918 1.00 0.00 O ATOM 708 CB LEU A 44 0.132 0.818 -0.249 1.00 0.00 C ATOM 709 CG LEU A 44 0.497 0.116 -1.558 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.968 1.124 -2.608 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.530 -0.987 -1.319 1.00 0.00 C ATOM 0 H LEU A 44 -0.623 3.286 0.958 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.548 1.558 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.968 1.452 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.018 0.061 0.527 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.400 -0.362 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.221 0.599 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.172 1.841 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.847 1.651 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.772 -1.470 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.434 -0.553 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.121 -1.725 -0.629 1.00 0.00 H new ATOM 723 N LEU A 45 -3.289 0.676 0.148 1.00 0.00 N ATOM 724 CA LEU A 45 -4.392 0.193 0.961 1.00 0.00 C ATOM 725 C LEU A 45 -4.294 -1.328 1.094 1.00 0.00 C ATOM 726 O LEU A 45 -4.422 -2.051 0.107 1.00 0.00 O ATOM 727 CB LEU A 45 -5.728 0.675 0.392 1.00 0.00 C ATOM 728 CG LEU A 45 -6.977 0.270 1.178 1.00 0.00 C ATOM 729 CD1 LEU A 45 -6.667 0.140 2.670 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.130 1.240 0.914 1.00 0.00 C ATOM 0 H LEU A 45 -3.420 0.566 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.332 0.606 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.701 1.763 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.825 0.296 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.297 -0.712 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.571 -0.149 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.900 -0.620 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.309 1.096 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.005 0.929 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.837 2.245 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.371 1.238 -0.149 1.00 0.00 H new ATOM 742 N VAL A 46 -4.067 -1.769 2.323 1.00 0.00 N ATOM 743 CA VAL A 46 -3.950 -3.191 2.598 1.00 0.00 C ATOM 744 C VAL A 46 -4.922 -3.571 3.717 1.00 0.00 C ATOM 745 O VAL A 46 -4.965 -2.915 4.756 1.00 0.00 O ATOM 746 CB VAL A 46 -2.496 -3.543 2.923 1.00 0.00 C ATOM 747 CG1 VAL A 46 -1.736 -3.952 1.660 1.00 0.00 C ATOM 748 CG2 VAL A 46 -1.797 -2.382 3.633 1.00 0.00 C ATOM 0 H VAL A 46 -3.961 -1.167 3.139 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.223 -3.774 1.719 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.501 -4.396 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.706 -4.197 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.215 -4.823 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.745 -3.128 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.766 -2.658 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.808 -1.502 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.319 -2.158 4.563 1.00 0.00 H new ATOM 758 N ALA A 47 -5.678 -4.630 3.465 1.00 0.00 N ATOM 759 CA ALA A 47 -6.647 -5.105 4.438 1.00 0.00 C ATOM 760 C ALA A 47 -6.021 -6.228 5.268 1.00 0.00 C ATOM 761 O ALA A 47 -5.568 -7.231 4.720 1.00 0.00 O ATOM 762 CB ALA A 47 -7.918 -5.554 3.716 1.00 0.00 C ATOM 0 H ALA A 47 -5.639 -5.172 2.602 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.927 -4.305 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.645 -5.910 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.340 -4.713 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.677 -6.359 3.022 1.00 0.00 H new ATOM 768 N PHE A 48 -6.015 -6.021 6.577 1.00 0.00 N ATOM 769 CA PHE A 48 -5.452 -7.003 7.487 1.00 0.00 C ATOM 770 C PHE A 48 -6.528 -7.973 7.980 1.00 0.00 C ATOM 771 O PHE A 48 -7.484 -7.564 8.637 1.00 0.00 O ATOM 772 CB PHE A 48 -4.890 -6.233 8.684 1.00 0.00 C ATOM 773 CG PHE A 48 -3.641 -5.410 8.362 1.00 0.00 C ATOM 774 CD1 PHE A 48 -2.499 -6.033 7.965 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.672 -4.055 8.474 1.00 0.00 C ATOM 776 CE1 PHE A 48 -1.340 -5.269 7.667 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.513 -3.291 8.176 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.371 -3.914 7.779 1.00 0.00 C ATOM 0 H PHE A 48 -6.391 -5.187 7.029 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.682 -7.583 6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.662 -5.567 9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.652 -6.940 9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.474 -7.109 7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.578 -3.560 8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.434 -5.764 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.538 -2.215 8.265 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.489 -3.333 7.553 1.00 0.00 H new ATOM 788 N GLU A 49 -6.335 -9.241 7.645 1.00 0.00 N ATOM 789 CA GLU A 49 -7.276 -10.272 8.046 1.00 0.00 C ATOM 790 C GLU A 49 -7.248 -10.457 9.564 1.00 0.00 C ATOM 791 O GLU A 49 -6.761 -9.590 10.289 1.00 0.00 O ATOM 792 CB GLU A 49 -6.983 -11.591 7.328 1.00 0.00 C ATOM 793 CG GLU A 49 -6.802 -11.369 5.825 1.00 0.00 C ATOM 794 CD GLU A 49 -7.851 -10.393 5.285 1.00 0.00 C ATOM 795 OE1 GLU A 49 -7.613 -9.174 5.419 1.00 0.00 O ATOM 796 OE2 GLU A 49 -8.866 -10.890 4.751 1.00 0.00 O ATOM 0 H GLU A 49 -5.541 -9.577 7.100 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.278 -9.953 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.082 -12.043 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.800 -12.292 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.803 -10.980 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.882 -12.321 5.301 1.00 0.00 H new ATOM 803 N GLU A 50 -7.775 -11.591 10.001 1.00 0.00 N ATOM 804 CA GLU A 50 -7.816 -11.900 11.420 1.00 0.00 C ATOM 805 C GLU A 50 -6.471 -12.469 11.878 1.00 0.00 C ATOM 806 O GLU A 50 -5.812 -13.190 11.132 1.00 0.00 O ATOM 807 CB GLU A 50 -8.958 -12.868 11.738 1.00 0.00 C ATOM 808 CG GLU A 50 -10.306 -12.282 11.315 1.00 0.00 C ATOM 809 CD GLU A 50 -11.292 -12.275 12.486 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.739 -13.381 12.858 1.00 0.00 O ATOM 811 OE2 GLU A 50 -11.576 -11.163 12.982 1.00 0.00 O ATOM 0 H GLU A 50 -8.177 -12.308 9.397 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.004 -10.977 11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.791 -13.814 11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.970 -13.084 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.166 -11.266 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.718 -12.865 10.491 1.00 0.00 H new ATOM 818 N GLY A 51 -6.105 -12.122 13.104 1.00 0.00 N ATOM 819 CA GLY A 51 -4.852 -12.590 13.670 1.00 0.00 C ATOM 820 C GLY A 51 -3.746 -11.547 13.490 1.00 0.00 C ATOM 821 O GLY A 51 -2.776 -11.529 14.246 1.00 0.00 O ATOM 0 H GLY A 51 -6.654 -11.523 13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.985 -12.805 14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.558 -13.524 13.190 1.00 0.00 H new ATOM 825 N ARG A 52 -3.930 -10.705 12.483 1.00 0.00 N ATOM 826 CA ARG A 52 -2.960 -9.663 12.194 1.00 0.00 C ATOM 827 C ARG A 52 -3.102 -8.513 13.193 1.00 0.00 C ATOM 828 O ARG A 52 -4.215 -8.150 13.573 1.00 0.00 O ATOM 829 CB ARG A 52 -3.141 -9.121 10.774 1.00 0.00 C ATOM 830 CG ARG A 52 -3.211 -10.262 9.757 1.00 0.00 C ATOM 831 CD ARG A 52 -2.225 -11.375 10.113 1.00 0.00 C ATOM 832 NE ARG A 52 -2.260 -12.433 9.078 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.494 -13.532 9.101 1.00 0.00 C ATOM 834 NH1 ARG A 52 -0.628 -13.724 10.105 1.00 0.00 N ATOM 835 NH2 ARG A 52 -1.593 -14.438 8.119 1.00 0.00 N ATOM 0 H ARG A 52 -4.736 -10.724 11.858 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.966 -10.102 12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.053 -8.526 10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.312 -8.458 10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.223 -10.665 9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.989 -9.880 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.217 -10.967 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.477 -11.798 11.086 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.908 -12.318 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.552 -13.034 10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.045 -14.561 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.251 -14.291 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.010 -15.275 8.136 1.00 0.00 H new ATOM 849 N THR A 53 -1.960 -7.971 13.590 1.00 0.00 N ATOM 850 CA THR A 53 -1.944 -6.870 14.538 1.00 0.00 C ATOM 851 C THR A 53 -1.083 -5.722 14.007 1.00 0.00 C ATOM 852 O THR A 53 -0.425 -5.860 12.977 1.00 0.00 O ATOM 853 CB THR A 53 -1.467 -7.414 15.886 1.00 0.00 C ATOM 854 OG1 THR A 53 -0.178 -7.954 15.606 1.00 0.00 O ATOM 855 CG2 THR A 53 -2.283 -8.621 16.353 1.00 0.00 C ATOM 0 H THR A 53 -1.039 -8.274 13.272 1.00 0.00 H new ATOM 0 HA THR A 53 -2.941 -6.451 14.675 1.00 0.00 H new ATOM 0 HB THR A 53 -1.525 -6.625 16.636 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.206 -8.327 16.427 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.903 -8.967 17.314 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.329 -8.334 16.459 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.199 -9.423 15.619 1.00 0.00 H new ATOM 863 N LEU A 54 -1.116 -4.615 14.734 1.00 0.00 N ATOM 864 CA LEU A 54 -0.347 -3.444 14.349 1.00 0.00 C ATOM 865 C LEU A 54 1.124 -3.834 14.190 1.00 0.00 C ATOM 866 O LEU A 54 1.834 -3.268 13.360 1.00 0.00 O ATOM 867 CB LEU A 54 -0.576 -2.302 15.341 1.00 0.00 C ATOM 868 CG LEU A 54 -1.225 -1.039 14.771 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.254 -0.287 13.859 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.539 -1.370 14.061 1.00 0.00 C ATOM 0 H LEU A 54 -1.663 -4.504 15.588 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.684 -3.069 13.383 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.201 -2.673 16.154 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.385 -2.028 15.777 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.466 -0.375 15.601 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.740 0.606 13.467 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.630 0.001 14.428 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.041 -0.932 13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.979 -0.455 13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.346 -2.063 13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.230 -1.828 14.769 1.00 0.00 H new ATOM 882 N LEU A 55 1.538 -4.799 14.998 1.00 0.00 N ATOM 883 CA LEU A 55 2.911 -5.271 14.958 1.00 0.00 C ATOM 884 C LEU A 55 3.257 -5.698 13.530 1.00 0.00 C ATOM 885 O LEU A 55 4.339 -5.391 13.032 1.00 0.00 O ATOM 886 CB LEU A 55 3.130 -6.371 15.999 1.00 0.00 C ATOM 887 CG LEU A 55 4.169 -6.073 17.082 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.545 -5.813 16.465 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.713 -4.917 17.975 1.00 0.00 C ATOM 0 H LEU A 55 0.946 -5.267 15.684 1.00 0.00 H new ATOM 0 HA LEU A 55 3.598 -4.469 15.227 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.177 -6.578 16.485 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.427 -7.282 15.479 1.00 0.00 H new ATOM 0 HG LEU A 55 4.263 -6.953 17.718 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.265 -5.604 17.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.865 -6.692 15.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.486 -4.957 15.792 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.469 -4.725 18.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.573 -4.022 17.369 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.771 -5.179 18.457 1.00 0.00 H new ATOM 901 N ASP A 56 2.318 -6.400 12.912 1.00 0.00 N ATOM 902 CA ASP A 56 2.510 -6.872 11.552 1.00 0.00 C ATOM 903 C ASP A 56 2.458 -5.682 10.591 1.00 0.00 C ATOM 904 O ASP A 56 3.194 -5.642 9.606 1.00 0.00 O ATOM 905 CB ASP A 56 1.408 -7.854 11.148 1.00 0.00 C ATOM 906 CG ASP A 56 1.447 -9.202 11.871 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.392 -9.969 11.590 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.530 -9.434 12.688 1.00 0.00 O ATOM 0 H ASP A 56 1.422 -6.653 13.329 1.00 0.00 H new ATOM 0 HA ASP A 56 3.476 -7.374 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.440 -7.387 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.476 -8.032 10.075 1.00 0.00 H new ATOM 913 N HIS A 57 1.582 -4.742 10.912 1.00 0.00 N ATOM 914 CA HIS A 57 1.424 -3.554 10.090 1.00 0.00 C ATOM 915 C HIS A 57 2.755 -2.803 10.012 1.00 0.00 C ATOM 916 O HIS A 57 3.231 -2.487 8.923 1.00 0.00 O ATOM 917 CB HIS A 57 0.280 -2.681 10.610 1.00 0.00 C ATOM 918 CG HIS A 57 -1.026 -3.419 10.783 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.302 -4.755 10.780 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.232 -2.772 10.986 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.605 -4.915 10.973 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -3.184 -3.686 11.100 1.00 0.00 N flip ATOM 0 H HIS A 57 0.974 -4.779 11.730 1.00 0.00 H new ATOM 0 HA HIS A 57 1.150 -3.844 9.076 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.572 -2.250 11.568 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.128 -1.851 9.920 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.373 -1.703 11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.122 -5.862 11.022 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.175 -3.503 11.255 1.00 0.00 H new ATOM 930 N ALA A 58 3.318 -2.540 11.183 1.00 0.00 N ATOM 931 CA ALA A 58 4.584 -1.832 11.261 1.00 0.00 C ATOM 932 C ALA A 58 5.653 -2.622 10.504 1.00 0.00 C ATOM 933 O ALA A 58 6.493 -2.040 9.820 1.00 0.00 O ATOM 934 CB ALA A 58 4.954 -1.609 12.729 1.00 0.00 C ATOM 0 H ALA A 58 2.921 -2.805 12.084 1.00 0.00 H new ATOM 0 HA ALA A 58 4.505 -0.851 10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.904 -1.078 12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.177 -1.018 13.214 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.045 -2.572 13.232 1.00 0.00 H new ATOM 940 N ARG A 59 5.587 -3.937 10.652 1.00 0.00 N ATOM 941 CA ARG A 59 6.539 -4.814 9.990 1.00 0.00 C ATOM 942 C ARG A 59 6.396 -4.701 8.471 1.00 0.00 C ATOM 943 O ARG A 59 7.388 -4.757 7.746 1.00 0.00 O ATOM 944 CB ARG A 59 6.329 -6.270 10.409 1.00 0.00 C ATOM 945 CG ARG A 59 6.785 -6.497 11.852 1.00 0.00 C ATOM 946 CD ARG A 59 8.240 -6.968 11.900 1.00 0.00 C ATOM 947 NE ARG A 59 8.526 -7.593 13.210 1.00 0.00 N ATOM 948 CZ ARG A 59 8.191 -8.850 13.532 1.00 0.00 C ATOM 949 NH1 ARG A 59 7.554 -9.622 12.642 1.00 0.00 N ATOM 950 NH2 ARG A 59 8.491 -9.333 14.745 1.00 0.00 N ATOM 0 H ARG A 59 4.889 -4.417 11.221 1.00 0.00 H new ATOM 0 HA ARG A 59 7.540 -4.503 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.275 -6.532 10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.884 -6.928 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.679 -5.573 12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.143 -7.239 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.426 -7.683 11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.910 -6.124 11.736 1.00 0.00 H new ATOM 0 HE ARG A 59 9.008 -7.032 13.912 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.324 -9.253 11.719 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.299 -10.579 12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.974 -8.744 15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.236 -10.290 14.990 1.00 0.00 H new ATOM 964 N LEU A 60 5.155 -4.545 8.035 1.00 0.00 N ATOM 965 CA LEU A 60 4.871 -4.425 6.615 1.00 0.00 C ATOM 966 C LEU A 60 5.259 -3.024 6.139 1.00 0.00 C ATOM 967 O LEU A 60 5.901 -2.873 5.101 1.00 0.00 O ATOM 968 CB LEU A 60 3.413 -4.790 6.328 1.00 0.00 C ATOM 969 CG LEU A 60 3.186 -5.826 5.225 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.772 -5.716 4.652 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.256 -5.713 4.137 1.00 0.00 C ATOM 0 H LEU A 60 4.335 -4.499 8.640 1.00 0.00 H new ATOM 0 HA LEU A 60 5.471 -5.134 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.965 -5.164 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.877 -3.879 6.060 1.00 0.00 H new ATOM 0 HG LEU A 60 3.279 -6.819 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.637 -6.463 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.044 -5.885 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.626 -4.721 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.071 -6.461 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.221 -4.718 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.240 -5.880 4.576 1.00 0.00 H new ATOM 983 N LYS A 61 4.852 -2.034 6.920 1.00 0.00 N ATOM 984 CA LYS A 61 5.149 -0.650 6.591 1.00 0.00 C ATOM 985 C LYS A 61 6.665 -0.471 6.481 1.00 0.00 C ATOM 986 O LYS A 61 7.148 0.222 5.587 1.00 0.00 O ATOM 987 CB LYS A 61 4.490 0.294 7.599 1.00 0.00 C ATOM 988 CG LYS A 61 5.490 0.739 8.668 1.00 0.00 C ATOM 989 CD LYS A 61 6.309 1.939 8.186 1.00 0.00 C ATOM 990 CE LYS A 61 6.959 2.667 9.364 1.00 0.00 C ATOM 991 NZ LYS A 61 5.954 3.469 10.097 1.00 0.00 N ATOM 0 H LYS A 61 4.319 -2.163 7.780 1.00 0.00 H new ATOM 0 HA LYS A 61 4.725 -0.389 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.094 1.167 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.645 -0.206 8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.958 1.001 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.158 -0.087 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.079 1.603 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.665 2.627 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.417 1.943 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.757 3.316 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.438 4.145 10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.362 3.988 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.355 2.838 10.667 1.00 0.00 H new ATOM 1005 N LEU A 62 7.373 -1.108 7.402 1.00 0.00 N ATOM 1006 CA LEU A 62 8.823 -1.027 7.420 1.00 0.00 C ATOM 1007 C LEU A 62 9.390 -1.872 6.277 1.00 0.00 C ATOM 1008 O LEU A 62 10.383 -1.496 5.656 1.00 0.00 O ATOM 1009 CB LEU A 62 9.365 -1.413 8.798 1.00 0.00 C ATOM 1010 CG LEU A 62 9.742 -2.885 8.982 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.112 -3.180 8.367 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.677 -3.287 10.456 1.00 0.00 C ATOM 0 H LEU A 62 6.969 -1.683 8.141 1.00 0.00 H new ATOM 0 HA LEU A 62 9.149 -0.001 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.246 -0.804 9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.616 -1.154 9.547 1.00 0.00 H new ATOM 0 HG LEU A 62 9.012 -3.495 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.357 -4.232 8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.088 -2.956 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.869 -2.562 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.949 -4.337 10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.371 -2.674 11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.664 -3.136 10.830 1.00 0.00 H new ATOM 1024 N ALA A 63 8.736 -2.998 6.035 1.00 0.00 N ATOM 1025 CA ALA A 63 9.162 -3.899 4.978 1.00 0.00 C ATOM 1026 C ALA A 63 8.920 -3.237 3.620 1.00 0.00 C ATOM 1027 O ALA A 63 9.715 -3.399 2.696 1.00 0.00 O ATOM 1028 CB ALA A 63 8.426 -5.233 5.116 1.00 0.00 C ATOM 0 H ALA A 63 7.914 -3.307 6.553 1.00 0.00 H new ATOM 0 HA ALA A 63 10.229 -4.106 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.746 -5.909 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.655 -5.677 6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.352 -5.066 5.039 1.00 0.00 H new ATOM 1034 N LEU A 64 7.818 -2.505 3.543 1.00 0.00 N ATOM 1035 CA LEU A 64 7.461 -1.818 2.314 1.00 0.00 C ATOM 1036 C LEU A 64 8.426 -0.653 2.087 1.00 0.00 C ATOM 1037 O LEU A 64 8.802 -0.365 0.952 1.00 0.00 O ATOM 1038 CB LEU A 64 5.989 -1.400 2.342 1.00 0.00 C ATOM 1039 CG LEU A 64 4.969 -2.540 2.382 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.786 -2.250 1.457 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.633 -3.881 2.062 1.00 0.00 C ATOM 0 H LEU A 64 7.161 -2.373 4.312 1.00 0.00 H new ATOM 0 HA LEU A 64 7.563 -2.488 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.829 -0.765 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.788 -0.790 1.461 1.00 0.00 H new ATOM 0 HG LEU A 64 4.574 -2.610 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.076 -3.076 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.294 -1.330 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.144 -2.137 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.886 -4.674 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.073 -3.841 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.413 -4.085 2.795 1.00 0.00 H new ATOM 1053 N GLU A 65 8.800 -0.013 3.186 1.00 0.00 N ATOM 1054 CA GLU A 65 9.715 1.114 3.121 1.00 0.00 C ATOM 1055 C GLU A 65 11.116 0.639 2.732 1.00 0.00 C ATOM 1056 O GLU A 65 11.893 1.395 2.151 1.00 0.00 O ATOM 1057 CB GLU A 65 9.742 1.875 4.448 1.00 0.00 C ATOM 1058 CG GLU A 65 8.628 2.922 4.503 1.00 0.00 C ATOM 1059 CD GLU A 65 8.806 3.849 5.708 1.00 0.00 C ATOM 1060 OE1 GLU A 65 9.855 3.718 6.374 1.00 0.00 O ATOM 1061 OE2 GLU A 65 7.888 4.666 5.935 1.00 0.00 O ATOM 0 H GLU A 65 8.486 -0.254 4.126 1.00 0.00 H new ATOM 0 HA GLU A 65 9.360 1.801 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.629 1.174 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.709 2.361 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.630 3.509 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.660 2.425 4.562 1.00 0.00 H new ATOM 1068 N GLY A 66 11.397 -0.611 3.068 1.00 0.00 N ATOM 1069 CA GLY A 66 12.691 -1.196 2.762 1.00 0.00 C ATOM 1070 C GLY A 66 12.830 -1.464 1.262 1.00 0.00 C ATOM 1071 O GLY A 66 13.868 -1.174 0.669 1.00 0.00 O ATOM 0 H GLY A 66 10.750 -1.235 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.484 -0.525 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.813 -2.128 3.314 1.00 0.00 H new ATOM 1075 N LEU A 67 11.769 -2.016 0.691 1.00 0.00 N ATOM 1076 CA LEU A 67 11.760 -2.327 -0.728 1.00 0.00 C ATOM 1077 C LEU A 67 11.877 -1.030 -1.531 1.00 0.00 C ATOM 1078 O LEU A 67 12.651 -0.953 -2.484 1.00 0.00 O ATOM 1079 CB LEU A 67 10.528 -3.162 -1.085 1.00 0.00 C ATOM 1080 CG LEU A 67 10.805 -4.541 -1.688 1.00 0.00 C ATOM 1081 CD1 LEU A 67 10.827 -5.619 -0.603 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.803 -4.865 -2.798 1.00 0.00 C ATOM 0 H LEU A 67 10.910 -2.256 1.186 1.00 0.00 H new ATOM 0 HA LEU A 67 12.621 -2.942 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.930 -3.295 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.920 -2.594 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 67 11.795 -4.522 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.026 -6.589 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.609 -5.391 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.862 -5.646 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.022 -5.850 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.793 -4.859 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.880 -4.117 -3.587 1.00 0.00 H new ATOM 1094 N LEU A 68 11.097 -0.042 -1.116 1.00 0.00 N ATOM 1095 CA LEU A 68 11.104 1.248 -1.784 1.00 0.00 C ATOM 1096 C LEU A 68 12.262 2.090 -1.246 1.00 0.00 C ATOM 1097 O LEU A 68 12.627 3.103 -1.841 1.00 0.00 O ATOM 1098 CB LEU A 68 9.739 1.925 -1.655 1.00 0.00 C ATOM 1099 CG LEU A 68 8.585 1.258 -2.407 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.297 1.299 -1.583 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.399 1.882 -3.792 1.00 0.00 C ATOM 0 H LEU A 68 10.456 -0.109 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 68 11.272 1.122 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.478 1.973 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.830 2.952 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 68 8.838 0.208 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.493 0.818 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.451 0.772 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.028 2.336 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.573 1.390 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.179 2.944 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.313 1.757 -4.373 1.00 0.00 H new ATOM 1113 N GLY A 69 12.807 1.641 -0.125 1.00 0.00 N ATOM 1114 CA GLY A 69 13.916 2.341 0.501 1.00 0.00 C ATOM 1115 C GLY A 69 13.571 3.813 0.739 1.00 0.00 C ATOM 1116 O GLY A 69 14.461 4.636 0.953 1.00 0.00 O ATOM 0 H GLY A 69 12.501 0.801 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.163 1.864 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.800 2.269 -0.132 1.00 0.00 H new ATOM 1120 N VAL A 70 12.279 4.099 0.694 1.00 0.00 N ATOM 1121 CA VAL A 70 11.806 5.457 0.902 1.00 0.00 C ATOM 1122 C VAL A 70 10.589 5.432 1.829 1.00 0.00 C ATOM 1123 O VAL A 70 10.129 4.363 2.227 1.00 0.00 O ATOM 1124 CB VAL A 70 11.517 6.123 -0.445 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.740 6.057 -1.362 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.294 5.496 -1.116 1.00 0.00 C ATOM 0 H VAL A 70 11.545 3.414 0.517 1.00 0.00 H new ATOM 0 HA VAL A 70 12.574 6.058 1.389 1.00 0.00 H new ATOM 0 HB VAL A 70 11.294 7.174 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.508 6.537 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.577 6.572 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.007 5.015 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.111 5.988 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.475 4.434 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.423 5.618 -0.472 1.00 0.00 H new ATOM 1136 N ARG A 71 10.102 6.623 2.147 1.00 0.00 N ATOM 1137 CA ARG A 71 8.948 6.751 3.020 1.00 0.00 C ATOM 1138 C ARG A 71 7.704 6.171 2.343 1.00 0.00 C ATOM 1139 O ARG A 71 7.436 6.457 1.177 1.00 0.00 O ATOM 1140 CB ARG A 71 8.689 8.216 3.379 1.00 0.00 C ATOM 1141 CG ARG A 71 7.419 8.357 4.220 1.00 0.00 C ATOM 1142 CD ARG A 71 7.760 8.566 5.697 1.00 0.00 C ATOM 1143 NE ARG A 71 8.470 7.379 6.225 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.198 7.379 7.349 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.318 8.501 8.071 1.00 0.00 N ATOM 1146 NH2 ARG A 71 9.808 6.255 7.752 1.00 0.00 N ATOM 0 H ARG A 71 10.486 7.508 1.815 1.00 0.00 H new ATOM 0 HA ARG A 71 9.160 6.197 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.541 8.615 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.594 8.806 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.829 9.199 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.803 7.465 4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.382 9.454 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.848 8.739 6.268 1.00 0.00 H new ATOM 0 HE ARG A 71 8.400 6.507 5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.855 9.357 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.873 8.500 8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.717 5.400 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.363 6.255 8.608 1.00 0.00 H new ATOM 1160 N VAL A 72 6.976 5.366 3.104 1.00 0.00 N ATOM 1161 CA VAL A 72 5.767 4.744 2.593 1.00 0.00 C ATOM 1162 C VAL A 72 4.646 4.895 3.623 1.00 0.00 C ATOM 1163 O VAL A 72 4.895 4.855 4.827 1.00 0.00 O ATOM 1164 CB VAL A 72 6.046 3.286 2.223 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.825 2.646 1.558 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.280 3.174 1.326 1.00 0.00 C ATOM 0 H VAL A 72 7.201 5.131 4.071 1.00 0.00 H new ATOM 0 HA VAL A 72 5.438 5.241 1.680 1.00 0.00 H new ATOM 0 HB VAL A 72 6.251 2.740 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.050 1.610 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.979 2.677 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.575 3.195 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.456 2.127 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.117 3.741 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.148 3.573 1.850 1.00 0.00 H new ATOM 1176 N ASP A 73 3.436 5.067 3.112 1.00 0.00 N ATOM 1177 CA ASP A 73 2.276 5.225 3.972 1.00 0.00 C ATOM 1178 C ASP A 73 1.260 4.125 3.658 1.00 0.00 C ATOM 1179 O ASP A 73 0.653 4.122 2.588 1.00 0.00 O ATOM 1180 CB ASP A 73 1.597 6.576 3.739 1.00 0.00 C ATOM 1181 CG ASP A 73 1.785 7.597 4.863 1.00 0.00 C ATOM 1182 OD1 ASP A 73 2.932 8.069 5.014 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.777 7.882 5.545 1.00 0.00 O ATOM 0 H ASP A 73 3.234 5.100 2.113 1.00 0.00 H new ATOM 0 HA ASP A 73 2.613 5.165 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.981 7.003 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.530 6.409 3.595 1.00 0.00 H new ATOM 1188 N ILE A 74 1.105 3.217 4.611 1.00 0.00 N ATOM 1189 CA ILE A 74 0.173 2.114 4.449 1.00 0.00 C ATOM 1190 C ILE A 74 -1.122 2.433 5.198 1.00 0.00 C ATOM 1191 O ILE A 74 -1.090 3.016 6.281 1.00 0.00 O ATOM 1192 CB ILE A 74 0.823 0.797 4.877 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.988 0.435 3.954 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.214 -0.325 4.958 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.573 -0.932 4.318 1.00 0.00 C ATOM 0 H ILE A 74 1.609 3.223 5.498 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.089 1.987 3.399 1.00 0.00 H new ATOM 0 HB ILE A 74 1.234 0.928 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.647 0.424 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.764 1.197 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.274 -1.250 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.980 -0.060 5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.676 -0.465 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.399 -1.165 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.936 -0.911 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.801 -1.695 4.221 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.232 2.036 4.592 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.535 2.272 5.189 1.00 0.00 C ATOM 1209 C VAL A 75 -4.300 0.950 5.273 1.00 0.00 C ATOM 1210 O VAL A 75 -4.162 0.092 4.401 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.285 3.347 4.400 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.782 3.315 4.715 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.698 4.734 4.668 1.00 0.00 C ATOM 0 H VAL A 75 -2.255 1.553 3.694 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.426 2.650 6.206 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.161 3.130 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.291 4.089 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.189 2.339 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.934 3.494 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.249 5.479 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.776 4.963 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.650 4.749 4.369 1.00 0.00 H new ATOM 1223 N SER A 76 -5.090 0.825 6.329 1.00 0.00 N ATOM 1224 CA SER A 76 -5.877 -0.378 6.538 1.00 0.00 C ATOM 1225 C SER A 76 -7.351 -0.098 6.242 1.00 0.00 C ATOM 1226 O SER A 76 -7.954 0.783 6.853 1.00 0.00 O ATOM 1227 CB SER A 76 -5.713 -0.903 7.966 1.00 0.00 C ATOM 1228 OG SER A 76 -5.614 0.155 8.915 1.00 0.00 O ATOM 0 H SER A 76 -5.202 1.538 7.050 1.00 0.00 H new ATOM 0 HA SER A 76 -5.515 -1.145 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.562 -1.538 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.820 -1.526 8.023 1.00 0.00 H new ATOM 0 HG SER A 76 -5.512 -0.221 9.814 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.890 -0.863 5.304 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.282 -0.707 4.919 1.00 0.00 C ATOM 1236 C GLU A 77 -10.162 -0.551 6.161 1.00 0.00 C ATOM 1237 O GLU A 77 -11.151 0.180 6.137 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.749 -1.885 4.062 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.638 -1.557 2.571 1.00 0.00 C ATOM 1240 CD GLU A 77 -9.999 -2.772 1.714 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.214 -3.024 1.569 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.050 -3.421 1.222 1.00 0.00 O ATOM 0 H GLU A 77 -7.387 -1.593 4.799 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.373 0.197 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.148 -2.766 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.782 -2.131 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.300 -0.726 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.623 -1.234 2.341 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.769 -1.249 7.217 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.510 -1.196 8.466 1.00 0.00 C ATOM 1251 C ARG A 78 -10.480 0.221 9.041 1.00 0.00 C ATOM 1252 O ARG A 78 -11.505 0.900 9.081 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.926 -2.169 9.493 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.889 -3.328 9.759 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.863 -3.734 11.234 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.748 -4.900 11.453 1.00 0.00 N ATOM 1257 CZ ARG A 78 -12.034 -5.410 12.659 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -11.507 -4.860 13.761 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -12.846 -6.471 12.762 1.00 0.00 N ATOM 0 H ARG A 78 -8.948 -1.854 7.233 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.540 -1.483 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.974 -2.558 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.721 -1.641 10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.901 -3.037 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.617 -4.182 9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.844 -3.979 11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.187 -2.899 11.855 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.166 -5.343 10.635 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.888 -4.053 13.682 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.725 -5.248 14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.246 -6.890 11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.064 -6.859 13.680 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.294 0.626 9.473 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.118 1.950 10.044 1.00 0.00 C ATOM 1275 C GLY A 79 -9.679 3.027 9.115 1.00 0.00 C ATOM 1276 O GLY A 79 -9.998 4.130 9.558 1.00 0.00 O ATOM 0 H GLY A 79 -8.446 0.060 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.618 2.002 11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.059 2.135 10.223 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.784 2.671 7.843 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.302 3.594 6.848 1.00 0.00 C ATOM 1282 C LEU A 80 -11.733 3.987 7.218 1.00 0.00 C ATOM 1283 O LEU A 80 -12.237 3.593 8.269 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.172 2.997 5.445 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.104 3.624 4.545 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.048 2.920 3.188 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.325 5.131 4.401 1.00 0.00 C ATOM 0 H LEU A 80 -9.519 1.756 7.479 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.713 4.511 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.957 1.933 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.136 3.083 4.944 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.133 3.485 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.281 3.385 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.807 1.867 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.016 3.006 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.553 5.552 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.305 5.315 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.275 5.602 5.383 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.349 4.759 6.335 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.712 5.209 6.556 1.00 0.00 C ATOM 1301 C ALA A 81 -14.640 4.529 5.547 1.00 0.00 C ATOM 1302 O ALA A 81 -14.176 3.908 4.593 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.768 6.736 6.462 1.00 0.00 C ATOM 0 H ALA A 81 -11.929 5.084 5.465 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.050 4.931 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.791 7.073 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.115 7.171 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.438 7.052 5.472 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.968 4.674 5.799 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.965 4.082 4.924 1.00 0.00 C ATOM 1311 C PRO A 82 -17.091 4.873 3.620 1.00 0.00 C ATOM 1312 O PRO A 82 -17.137 4.290 2.538 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.248 4.072 5.738 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.038 5.076 6.860 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.555 5.404 6.919 1.00 0.00 C ATOM 0 HA PRO A 82 -16.701 3.072 4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.104 4.348 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.450 3.078 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.622 5.979 6.679 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.376 4.663 7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.383 6.476 6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.118 5.092 7.868 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.142 6.189 3.767 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.261 7.066 2.615 1.00 0.00 C ATOM 1325 C ARG A 83 -15.902 7.234 1.933 1.00 0.00 C ATOM 1326 O ARG A 83 -15.834 7.535 0.742 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.794 8.441 3.022 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.764 9.200 3.863 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.281 10.591 4.237 1.00 0.00 C ATOM 1330 NE ARG A 83 -18.239 10.490 5.360 1.00 0.00 N ATOM 1331 CZ ARG A 83 -18.763 11.546 5.997 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.425 12.788 5.627 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -19.626 11.359 7.006 1.00 0.00 N ATOM 0 H ARG A 83 -17.103 6.669 4.666 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.965 6.608 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.038 9.019 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.717 8.324 3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.541 8.635 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.831 9.292 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.447 11.235 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.765 11.052 3.376 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.518 9.559 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.768 12.931 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.824 13.591 6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.883 10.413 7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.025 12.163 7.491 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.853 7.033 2.717 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.500 7.158 2.204 1.00 0.00 C ATOM 1349 C LEU A 84 -13.091 5.847 1.530 1.00 0.00 C ATOM 1350 O LEU A 84 -12.497 5.857 0.453 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.545 7.603 3.314 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.441 8.578 2.898 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -10.318 7.850 2.158 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -12.013 9.736 2.077 1.00 0.00 C ATOM 0 H LEU A 84 -14.913 6.784 3.704 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.452 7.937 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.132 8.067 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.077 6.716 3.741 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.006 9.008 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.546 8.565 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.886 7.090 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.720 7.375 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.208 10.414 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.490 9.344 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.749 10.276 2.673 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.425 4.749 2.192 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.100 3.433 1.671 1.00 0.00 C ATOM 1368 C ARG A 85 -13.657 3.270 0.255 1.00 0.00 C ATOM 1369 O ARG A 85 -12.938 2.865 -0.656 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.669 2.330 2.566 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.516 0.957 1.908 1.00 0.00 C ATOM 1372 CD ARG A 85 -13.872 -0.163 2.888 1.00 0.00 C ATOM 1373 NE ARG A 85 -13.708 -1.480 2.233 1.00 0.00 N ATOM 1374 CZ ARG A 85 -14.311 -2.604 2.644 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -15.121 -2.578 3.711 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -14.103 -3.754 1.989 1.00 0.00 N ATOM 0 H ARG A 85 -13.918 4.744 3.085 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.014 3.344 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.156 2.336 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.722 2.526 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.160 0.896 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.491 0.829 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.233 -0.104 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.900 -0.044 3.231 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.098 -1.536 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.279 -1.703 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.580 -3.433 4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.486 -3.774 1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.562 -4.609 2.302 1.00 0.00 H new ATOM 1390 N GLU A 86 -14.934 3.594 0.116 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.597 3.489 -1.173 1.00 0.00 C ATOM 1392 C GLU A 86 -14.956 4.447 -2.179 1.00 0.00 C ATOM 1393 O GLU A 86 -14.815 4.115 -3.356 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.097 3.755 -1.042 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.854 3.245 -2.270 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.242 2.730 -1.883 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -20.059 3.571 -1.449 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -19.455 1.507 -2.031 1.00 0.00 O ATOM 0 H GLU A 86 -15.527 3.929 0.875 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.473 2.470 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.480 3.267 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.271 4.824 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.951 4.047 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.286 2.446 -2.746 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.583 5.616 -1.680 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.960 6.625 -2.520 1.00 0.00 C ATOM 1407 C GLN A 87 -12.530 6.212 -2.873 1.00 0.00 C ATOM 1408 O GLN A 87 -12.087 6.400 -4.005 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.983 7.995 -1.841 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.578 9.099 -2.819 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.812 10.484 -2.211 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.074 10.635 -1.030 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -13.704 11.483 -3.083 1.00 0.00 N ATOM 0 H GLN A 87 -14.700 5.887 -0.704 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.533 6.705 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.982 8.196 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.305 7.993 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.527 8.987 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.151 9.001 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.482 11.286 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.843 12.446 -2.776 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.847 5.656 -1.883 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.476 5.215 -2.075 1.00 0.00 C ATOM 1424 C VAL A 88 -10.468 3.940 -2.921 1.00 0.00 C ATOM 1425 O VAL A 88 -9.720 3.840 -3.892 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.789 5.037 -0.719 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -9.989 3.618 -0.185 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -8.301 5.384 -0.809 1.00 0.00 C ATOM 0 H VAL A 88 -12.218 5.501 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.905 5.968 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.253 5.728 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.491 3.519 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.054 3.421 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.564 2.901 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.836 5.249 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.818 4.729 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.188 6.421 -1.125 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.310 2.999 -2.521 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.410 1.734 -3.231 1.00 0.00 C ATOM 1440 C LEU A 89 -11.667 2.006 -4.714 1.00 0.00 C ATOM 1441 O LEU A 89 -10.965 1.479 -5.576 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.463 0.836 -2.579 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.063 0.188 -1.252 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -12.734 -1.177 -1.084 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -10.541 0.099 -1.122 1.00 0.00 C ATOM 0 H LEU A 89 -11.929 3.086 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.471 1.185 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.364 1.427 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.724 0.045 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.419 0.823 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.433 -1.616 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.817 -1.055 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.431 -1.834 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.284 -0.365 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.141 -0.502 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.113 1.101 -1.165 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.675 2.827 -4.967 1.00 0.00 N ATOM 1458 CA ARG A 90 -13.034 3.175 -6.332 1.00 0.00 C ATOM 1459 C ARG A 90 -11.806 3.685 -7.089 1.00 0.00 C ATOM 1460 O ARG A 90 -11.757 3.618 -8.316 1.00 0.00 O ATOM 1461 CB ARG A 90 -14.123 4.249 -6.359 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.459 3.663 -6.821 1.00 0.00 C ATOM 1463 CD ARG A 90 -16.617 4.602 -6.478 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.690 5.699 -7.469 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.531 6.738 -7.379 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -18.375 6.829 -6.343 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -17.527 7.687 -8.325 1.00 0.00 N ATOM 0 H ARG A 90 -13.255 3.262 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.416 2.275 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.236 4.683 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.826 5.057 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.432 3.491 -7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.619 2.694 -6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -17.555 4.047 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -16.479 5.013 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.061 5.662 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -18.378 6.107 -5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.015 7.620 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.884 7.618 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.167 8.478 -8.257 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.844 4.182 -6.326 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.620 4.703 -6.910 1.00 0.00 C ATOM 1483 C GLU A 91 -8.521 3.638 -6.878 1.00 0.00 C ATOM 1484 O GLU A 91 -7.664 3.599 -7.759 1.00 0.00 O ATOM 1485 CB GLU A 91 -9.169 5.977 -6.193 1.00 0.00 C ATOM 1486 CG GLU A 91 -10.331 6.961 -6.041 1.00 0.00 C ATOM 1487 CD GLU A 91 -10.310 8.010 -7.154 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -9.329 8.783 -7.187 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -11.277 8.016 -7.947 1.00 0.00 O ATOM 0 H GLU A 91 -10.887 4.235 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.819 4.962 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.771 5.724 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.361 6.447 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.277 6.419 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.270 7.454 -5.071 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.583 2.801 -5.853 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.604 1.739 -5.694 1.00 0.00 C ATOM 1498 C ALA A 92 -7.628 0.841 -6.932 1.00 0.00 C ATOM 1499 O ALA A 92 -8.695 0.428 -7.384 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.894 0.965 -4.407 1.00 0.00 C ATOM 0 H ALA A 92 -9.296 2.837 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.600 2.153 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.159 0.168 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.836 1.642 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.893 0.532 -4.460 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.438 0.564 -7.446 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.309 -0.278 -8.623 1.00 0.00 C ATOM 1508 C ILE A 93 -5.479 -1.514 -8.272 1.00 0.00 C ATOM 1509 O ILE A 93 -4.579 -1.445 -7.436 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.749 0.526 -9.798 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.261 0.820 -9.601 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.561 1.803 -10.025 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.504 0.729 -10.928 1.00 0.00 C ATOM 0 H ILE A 93 -5.555 0.908 -7.069 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.287 -0.632 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.841 -0.078 -10.700 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.137 1.815 -9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.838 0.113 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.142 2.356 -10.866 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.597 1.542 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.524 2.422 -9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.448 0.942 -10.760 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.610 -0.275 -11.339 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.913 1.455 -11.631 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.818 -2.646 -8.946 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.114 -3.895 -8.714 1.00 0.00 C ATOM 1527 C PRO A 94 -3.733 -3.876 -9.372 1.00 0.00 C ATOM 1528 O PRO A 94 -3.583 -3.400 -10.496 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.027 -4.972 -9.279 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.985 -4.256 -10.217 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.878 -2.765 -9.943 1.00 0.00 C ATOM 0 HA PRO A 94 -4.914 -4.075 -7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.453 -5.731 -9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.569 -5.482 -8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.735 -4.472 -11.256 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.006 -4.601 -10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.632 -2.212 -10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.820 -2.362 -9.570 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.759 -4.401 -8.644 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.395 -4.450 -9.142 1.00 0.00 C ATOM 1541 C LEU A 95 -0.933 -5.908 -9.209 1.00 0.00 C ATOM 1542 O LEU A 95 -0.560 -6.396 -10.274 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.483 -3.555 -8.301 1.00 0.00 C ATOM 1544 CG LEU A 95 0.887 -4.135 -7.948 1.00 0.00 C ATOM 1545 CD1 LEU A 95 0.746 -5.370 -7.055 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.700 -4.431 -9.210 1.00 0.00 C ATOM 0 H LEU A 95 -2.887 -4.796 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.346 -4.052 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.331 -2.618 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.002 -3.311 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 95 1.438 -3.386 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.735 -5.763 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.235 -5.095 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.168 -6.132 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.670 -4.842 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.164 -5.152 -9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.846 -3.509 -9.773 1.00 0.00 H new