USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot 135:sc= -1.11 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -7.53! C(o=-16!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 148:sc= -3.95! USER MOD Set 1.4: A 37 CYS SG : rot -43:sc= -3.2! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -8:sc= 0.372 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -118:sc= -1.02 (180deg=-1.56) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00311 X(o=-0.0031,f=-0.13) USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -15.194 11.485 -14.560 1.00 0.00 N ATOM 2 CA ALA A 2 -14.295 12.661 -14.437 1.00 0.00 C ATOM 3 C ALA A 2 -12.868 12.228 -14.118 1.00 0.00 C ATOM 4 O ALA A 2 -12.640 11.409 -13.229 1.00 0.00 O ATOM 5 CB ALA A 2 -14.810 13.607 -13.361 1.00 0.00 C ATOM 0 HA ALA A 2 -14.286 13.183 -15.394 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.142 14.465 -13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.810 13.949 -13.626 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.847 13.085 -12.405 1.00 0.00 H new ATOM 10 N SER A 3 -11.910 12.784 -14.852 1.00 0.00 N ATOM 11 CA SER A 3 -10.502 12.458 -14.649 1.00 0.00 C ATOM 12 C SER A 3 -9.809 13.529 -13.812 1.00 0.00 C ATOM 13 O SER A 3 -8.656 13.876 -14.062 1.00 0.00 O ATOM 14 CB SER A 3 -9.793 12.306 -15.995 1.00 0.00 C ATOM 15 OG SER A 3 -10.206 11.125 -16.660 1.00 0.00 O ATOM 0 H SER A 3 -12.082 13.463 -15.593 1.00 0.00 H new ATOM 0 HA SER A 3 -10.448 11.512 -14.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.006 13.173 -16.621 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.714 12.281 -15.840 1.00 0.00 H new ATOM 0 HG SER A 3 -9.739 11.053 -17.519 1.00 0.00 H new ATOM 21 N THR A 4 -10.523 14.048 -12.819 1.00 0.00 N ATOM 22 CA THR A 4 -9.978 15.080 -11.944 1.00 0.00 C ATOM 23 C THR A 4 -9.398 14.466 -10.673 1.00 0.00 C ATOM 24 O THR A 4 -8.432 14.981 -10.108 1.00 0.00 O ATOM 25 CB THR A 4 -11.060 16.099 -11.586 1.00 0.00 C ATOM 26 OG1 THR A 4 -12.346 15.509 -11.652 1.00 0.00 O ATOM 27 CG2 THR A 4 -11.065 17.310 -12.495 1.00 0.00 C ATOM 0 H THR A 4 -11.480 13.771 -12.600 1.00 0.00 H new ATOM 0 HA THR A 4 -9.175 15.587 -12.479 1.00 0.00 H new ATOM 0 HB THR A 4 -10.826 16.425 -10.573 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.024 16.176 -11.418 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.856 17.993 -12.186 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.102 17.817 -12.431 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.240 16.993 -13.523 1.00 0.00 H new ATOM 35 N SER A 5 -9.993 13.365 -10.229 1.00 0.00 N ATOM 36 CA SER A 5 -9.536 12.682 -9.025 1.00 0.00 C ATOM 37 C SER A 5 -8.202 11.982 -9.269 1.00 0.00 C ATOM 38 O SER A 5 -7.989 11.379 -10.320 1.00 0.00 O ATOM 39 CB SER A 5 -10.580 11.664 -8.563 1.00 0.00 C ATOM 40 OG SER A 5 -10.618 11.576 -7.149 1.00 0.00 O ATOM 0 H SER A 5 -10.793 12.926 -10.685 1.00 0.00 H new ATOM 0 HA SER A 5 -9.397 13.430 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.562 11.950 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.350 10.686 -8.985 1.00 0.00 H new ATOM 0 HG SER A 5 -11.294 10.920 -6.880 1.00 0.00 H new ATOM 46 N ARG A 6 -7.308 12.067 -8.288 1.00 0.00 N ATOM 47 CA ARG A 6 -5.993 11.442 -8.396 1.00 0.00 C ATOM 48 C ARG A 6 -6.125 9.940 -8.626 1.00 0.00 C ATOM 49 O ARG A 6 -5.848 9.441 -9.716 1.00 0.00 O ATOM 50 CB ARG A 6 -5.175 11.708 -7.130 1.00 0.00 C ATOM 51 CG ARG A 6 -4.145 12.815 -7.293 1.00 0.00 C ATOM 52 CD ARG A 6 -2.856 12.493 -6.552 1.00 0.00 C ATOM 53 NE ARG A 6 -1.808 12.031 -7.457 1.00 0.00 N ATOM 54 CZ ARG A 6 -1.065 12.842 -8.208 1.00 0.00 C ATOM 55 NH1 ARG A 6 -1.255 14.155 -8.166 1.00 0.00 N ATOM 56 NH2 ARG A 6 -0.133 12.338 -9.005 1.00 0.00 N ATOM 0 H ARG A 6 -7.469 12.562 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.477 11.878 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.853 11.970 -6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.666 10.790 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.930 12.960 -8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.556 13.753 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.512 13.380 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.051 11.727 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.634 11.028 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.973 14.547 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.683 14.772 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.015 11.329 -9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.436 12.959 -9.580 1.00 0.00 H new ATOM 70 N LEU A 7 -6.550 9.225 -7.589 1.00 0.00 N ATOM 71 CA LEU A 7 -6.719 7.780 -7.673 1.00 0.00 C ATOM 72 C LEU A 7 -7.687 7.287 -6.603 1.00 0.00 C ATOM 73 O LEU A 7 -8.817 6.898 -6.904 1.00 0.00 O ATOM 74 CB LEU A 7 -5.370 7.076 -7.521 1.00 0.00 C ATOM 75 CG LEU A 7 -4.530 6.999 -8.797 1.00 0.00 C ATOM 76 CD1 LEU A 7 -3.252 6.210 -8.548 1.00 0.00 C ATOM 77 CD2 LEU A 7 -5.334 6.373 -9.926 1.00 0.00 C ATOM 0 H LEU A 7 -6.784 9.624 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.133 7.543 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.792 7.593 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.545 6.063 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.255 8.012 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.667 6.166 -9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.668 6.700 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.505 5.199 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.721 6.326 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.638 5.366 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.219 6.978 -10.121 1.00 0.00 H new ATOM 89 N ASP A 8 -7.236 7.304 -5.353 1.00 0.00 N ATOM 90 CA ASP A 8 -8.059 6.857 -4.232 1.00 0.00 C ATOM 91 C ASP A 8 -8.616 5.458 -4.482 1.00 0.00 C ATOM 92 O ASP A 8 -9.659 5.090 -3.942 1.00 0.00 O ATOM 93 CB ASP A 8 -9.205 7.842 -3.991 1.00 0.00 C ATOM 94 CG ASP A 8 -9.319 8.247 -2.534 1.00 0.00 C ATOM 95 OD1 ASP A 8 -9.566 7.360 -1.690 1.00 0.00 O ATOM 96 OD2 ASP A 8 -9.164 9.450 -2.239 1.00 0.00 O ATOM 0 H ASP A 8 -6.304 7.623 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.428 6.819 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.051 8.731 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.143 7.391 -4.315 1.00 0.00 H new ATOM 101 N ALA A 9 -7.915 4.683 -5.303 1.00 0.00 N ATOM 102 CA ALA A 9 -8.341 3.326 -5.619 1.00 0.00 C ATOM 103 C ALA A 9 -7.552 2.303 -4.811 1.00 0.00 C ATOM 104 O ALA A 9 -6.358 2.479 -4.564 1.00 0.00 O ATOM 105 CB ALA A 9 -8.184 3.059 -7.110 1.00 0.00 C ATOM 0 H ALA A 9 -7.050 4.972 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.393 3.228 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.506 2.042 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.796 3.765 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.138 3.179 -7.393 1.00 0.00 H new ATOM 111 N LEU A 10 -8.224 1.234 -4.400 1.00 0.00 N ATOM 112 CA LEU A 10 -7.579 0.184 -3.619 1.00 0.00 C ATOM 113 C LEU A 10 -7.266 -1.027 -4.495 1.00 0.00 C ATOM 114 O LEU A 10 -7.801 -1.163 -5.595 1.00 0.00 O ATOM 115 CB LEU A 10 -8.461 -0.238 -2.432 1.00 0.00 C ATOM 116 CG LEU A 10 -9.928 0.194 -2.509 1.00 0.00 C ATOM 117 CD1 LEU A 10 -10.672 -0.621 -3.556 1.00 0.00 C ATOM 118 CD2 LEU A 10 -10.593 0.055 -1.148 1.00 0.00 C ATOM 0 H LEU A 10 -9.212 1.071 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.643 0.585 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.425 -1.324 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.029 0.170 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.965 1.242 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.713 -0.299 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.208 -0.471 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.629 -1.678 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.635 0.366 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.546 -0.985 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.075 0.684 -0.424 1.00 0.00 H new ATOM 130 N PRO A 11 -6.391 -1.925 -4.014 1.00 0.00 N ATOM 131 CA PRO A 11 -6.005 -3.129 -4.759 1.00 0.00 C ATOM 132 C PRO A 11 -7.172 -4.092 -4.942 1.00 0.00 C ATOM 133 O PRO A 11 -8.309 -3.778 -4.592 1.00 0.00 O ATOM 134 CB PRO A 11 -4.923 -3.767 -3.879 1.00 0.00 C ATOM 135 CG PRO A 11 -5.177 -3.231 -2.513 1.00 0.00 C ATOM 136 CD PRO A 11 -5.709 -1.840 -2.710 1.00 0.00 C ATOM 0 HA PRO A 11 -5.666 -2.891 -5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.990 -4.855 -3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.924 -3.504 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.895 -3.852 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.262 -3.219 -1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.396 -1.555 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.909 -1.100 -2.721 1.00 0.00 H new ATOM 144 N ARG A 12 -6.881 -5.266 -5.489 1.00 0.00 N ATOM 145 CA ARG A 12 -7.907 -6.276 -5.717 1.00 0.00 C ATOM 146 C ARG A 12 -8.223 -7.018 -4.424 1.00 0.00 C ATOM 147 O ARG A 12 -7.323 -7.343 -3.647 1.00 0.00 O ATOM 148 CB ARG A 12 -7.448 -7.267 -6.788 1.00 0.00 C ATOM 149 CG ARG A 12 -7.585 -6.737 -8.205 1.00 0.00 C ATOM 150 CD ARG A 12 -6.376 -5.906 -8.609 1.00 0.00 C ATOM 151 NE ARG A 12 -6.758 -4.721 -9.373 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.987 -3.643 -9.505 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.793 -3.597 -8.927 1.00 0.00 N ATOM 154 NH2 ARG A 12 -6.410 -2.608 -10.219 1.00 0.00 N ATOM 0 H ARG A 12 -5.944 -5.542 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.811 -5.775 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.406 -7.529 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.028 -8.185 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.702 -7.571 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.487 -6.130 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.830 -5.601 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.698 -6.518 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.669 -4.719 -9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.461 -4.390 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.207 -2.769 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.326 -2.638 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.819 -1.783 -10.320 1.00 0.00 H new ATOM 168 N VAL A 13 -9.505 -7.285 -4.195 1.00 0.00 N ATOM 169 CA VAL A 13 -9.938 -7.990 -2.992 1.00 0.00 C ATOM 170 C VAL A 13 -9.084 -9.230 -2.742 1.00 0.00 C ATOM 171 O VAL A 13 -9.327 -10.290 -3.319 1.00 0.00 O ATOM 172 CB VAL A 13 -11.422 -8.401 -3.085 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.655 -9.318 -4.275 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.878 -9.066 -1.793 1.00 0.00 C ATOM 0 H VAL A 13 -10.263 -7.024 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.815 -7.300 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.016 -7.499 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.708 -9.595 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.376 -8.801 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.048 -10.217 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.927 -9.348 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.277 -9.957 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.757 -8.370 -0.963 1.00 0.00 H new ATOM 184 N THR A 14 -8.082 -9.087 -1.880 1.00 0.00 N ATOM 185 CA THR A 14 -7.188 -10.191 -1.552 1.00 0.00 C ATOM 186 C THR A 14 -6.549 -10.774 -2.807 1.00 0.00 C ATOM 187 O THR A 14 -6.705 -10.236 -3.905 1.00 0.00 O ATOM 188 CB THR A 14 -7.952 -11.283 -0.797 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.796 -12.005 -1.678 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.809 -10.741 0.327 1.00 0.00 C ATOM 0 H THR A 14 -7.869 -8.215 -1.395 1.00 0.00 H new ATOM 0 HA THR A 14 -6.393 -9.803 -0.915 1.00 0.00 H new ATOM 0 HB THR A 14 -7.188 -11.931 -0.368 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.808 -11.565 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.324 -11.565 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.178 -10.222 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.544 -10.045 -0.079 1.00 0.00 H new ATOM 198 N CYS A 15 -5.827 -11.877 -2.637 1.00 0.00 N ATOM 199 CA CYS A 15 -5.162 -12.539 -3.753 1.00 0.00 C ATOM 200 C CYS A 15 -6.181 -13.201 -4.677 1.00 0.00 C ATOM 201 O CYS A 15 -7.124 -13.840 -4.213 1.00 0.00 O ATOM 202 CB CYS A 15 -4.189 -13.595 -3.228 1.00 0.00 C ATOM 203 SG CYS A 15 -3.116 -14.317 -4.490 1.00 0.00 S ATOM 0 H CYS A 15 -5.688 -12.332 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.614 -11.785 -4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.567 -13.145 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.760 -14.393 -2.754 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.898 -14.380 -4.040 1.00 0.00 H new ATOM 209 N PRO A 16 -6.004 -13.068 -6.005 1.00 0.00 N ATOM 210 CA PRO A 16 -6.918 -13.673 -6.977 1.00 0.00 C ATOM 211 C PRO A 16 -6.948 -15.194 -6.860 1.00 0.00 C ATOM 212 O PRO A 16 -7.900 -15.841 -7.297 1.00 0.00 O ATOM 213 CB PRO A 16 -6.341 -13.249 -8.334 1.00 0.00 C ATOM 214 CG PRO A 16 -4.920 -12.900 -8.054 1.00 0.00 C ATOM 215 CD PRO A 16 -4.908 -12.336 -6.662 1.00 0.00 C ATOM 0 HA PRO A 16 -7.948 -13.350 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.413 -14.056 -9.064 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.883 -12.398 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.279 -13.779 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.546 -12.173 -8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.953 -12.506 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.082 -11.260 -6.660 1.00 0.00 H new ATOM 223 N ASN A 17 -5.899 -15.759 -6.266 1.00 0.00 N ATOM 224 CA ASN A 17 -5.803 -17.202 -6.088 1.00 0.00 C ATOM 225 C ASN A 17 -5.781 -17.576 -4.603 1.00 0.00 C ATOM 226 O ASN A 17 -5.922 -18.745 -4.249 1.00 0.00 O ATOM 227 CB ASN A 17 -4.545 -17.736 -6.778 1.00 0.00 C ATOM 228 CG ASN A 17 -4.840 -18.328 -8.141 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.570 -17.711 -9.171 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.399 -19.533 -8.154 1.00 0.00 N ATOM 0 H ASN A 17 -5.103 -15.236 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.684 -17.656 -6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.822 -16.927 -6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.083 -18.496 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.621 -19.983 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.606 -20.009 -7.276 1.00 0.00 H new ATOM 237 N HIS A 18 -5.619 -16.577 -3.737 1.00 0.00 N ATOM 238 CA HIS A 18 -5.596 -16.811 -2.298 1.00 0.00 C ATOM 239 C HIS A 18 -6.530 -15.840 -1.581 1.00 0.00 C ATOM 240 O HIS A 18 -6.110 -14.770 -1.138 1.00 0.00 O ATOM 241 CB HIS A 18 -4.177 -16.667 -1.745 1.00 0.00 C ATOM 242 CG HIS A 18 -3.237 -17.754 -2.163 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.043 -17.504 -2.802 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.299 -19.097 -2.000 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.408 -18.643 -3.010 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.149 -19.625 -2.535 1.00 0.00 N ATOM 0 H HIS A 18 -5.502 -15.601 -4.008 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.939 -17.830 -2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.770 -15.708 -2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.225 -16.644 -0.656 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.702 -16.582 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.102 -19.650 -1.536 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.446 -18.752 -3.488 1.00 0.00 H new ATOM 255 N PRO A 19 -7.817 -16.201 -1.451 1.00 0.00 N ATOM 256 CA PRO A 19 -8.804 -15.352 -0.781 1.00 0.00 C ATOM 257 C PRO A 19 -8.427 -15.078 0.668 1.00 0.00 C ATOM 258 O PRO A 19 -8.682 -13.993 1.193 1.00 0.00 O ATOM 259 CB PRO A 19 -10.104 -16.163 -0.859 1.00 0.00 C ATOM 260 CG PRO A 19 -9.679 -17.563 -1.149 1.00 0.00 C ATOM 261 CD PRO A 19 -8.406 -17.459 -1.936 1.00 0.00 C ATOM 0 HA PRO A 19 -8.883 -14.371 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.659 -16.107 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.759 -15.781 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.522 -18.121 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.445 -18.093 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.748 -18.309 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.596 -17.428 -3.009 1.00 0.00 H new ATOM 269 N ASP A 20 -7.817 -16.068 1.309 1.00 0.00 N ATOM 270 CA ASP A 20 -7.400 -15.937 2.699 1.00 0.00 C ATOM 271 C ASP A 20 -6.096 -15.150 2.813 1.00 0.00 C ATOM 272 O ASP A 20 -5.833 -14.522 3.836 1.00 0.00 O ATOM 273 CB ASP A 20 -7.233 -17.319 3.332 1.00 0.00 C ATOM 274 CG ASP A 20 -8.562 -17.972 3.653 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.267 -17.473 4.555 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.900 -18.984 3.002 1.00 0.00 O ATOM 0 H ASP A 20 -7.600 -16.971 0.887 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.176 -15.388 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.670 -17.961 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.646 -17.228 4.246 1.00 0.00 H new ATOM 281 N ALA A 21 -5.283 -15.190 1.761 1.00 0.00 N ATOM 282 CA ALA A 21 -4.008 -14.479 1.762 1.00 0.00 C ATOM 283 C ALA A 21 -4.182 -13.028 1.397 1.00 0.00 C ATOM 284 O ALA A 21 -4.260 -12.642 0.230 1.00 0.00 O ATOM 285 CB ALA A 21 -3.005 -15.157 0.852 1.00 0.00 C ATOM 0 H ALA A 21 -5.482 -15.703 0.902 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.615 -14.513 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.065 -14.606 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.835 -16.178 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.393 -15.176 -0.167 1.00 0.00 H new ATOM 291 N ILE A 22 -4.271 -12.261 2.450 1.00 0.00 N ATOM 292 CA ILE A 22 -4.469 -10.839 2.369 1.00 0.00 C ATOM 293 C ILE A 22 -3.194 -10.079 1.994 1.00 0.00 C ATOM 294 O ILE A 22 -2.597 -9.403 2.833 1.00 0.00 O ATOM 295 CB ILE A 22 -5.021 -10.301 3.696 1.00 0.00 C ATOM 296 CG1 ILE A 22 -4.749 -11.260 4.862 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.508 -10.038 3.567 1.00 0.00 C ATOM 298 CD1 ILE A 22 -4.942 -10.629 6.223 1.00 0.00 C ATOM 0 H ILE A 22 -4.207 -12.613 3.405 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.191 -10.671 1.570 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.504 -9.367 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.410 -12.122 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.727 -11.632 4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.893 -9.656 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.681 -9.302 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.021 -10.966 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.732 -11.366 6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.262 -9.784 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.971 -10.282 6.321 1.00 0.00 H new ATOM 310 N LEU A 23 -2.791 -10.200 0.717 1.00 0.00 N ATOM 311 CA LEU A 23 -1.588 -9.523 0.200 1.00 0.00 C ATOM 312 C LEU A 23 -1.193 -8.362 1.096 1.00 0.00 C ATOM 313 O LEU A 23 -1.878 -7.347 1.155 1.00 0.00 O ATOM 314 CB LEU A 23 -1.807 -9.001 -1.223 1.00 0.00 C ATOM 315 CG LEU A 23 -1.457 -9.980 -2.339 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.693 -10.766 -2.747 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.861 -9.247 -3.532 1.00 0.00 C ATOM 0 H LEU A 23 -3.282 -10.762 0.022 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.788 -10.263 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.853 -8.713 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.213 -8.097 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.707 -10.679 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.434 -11.463 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.071 -11.321 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.461 -10.078 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.619 -9.965 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.582 -8.524 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.046 -8.727 -3.223 1.00 0.00 H new ATOM 329 N VAL A 24 -0.108 -8.529 1.810 1.00 0.00 N ATOM 330 CA VAL A 24 0.353 -7.503 2.720 1.00 0.00 C ATOM 331 C VAL A 24 1.034 -6.369 1.970 1.00 0.00 C ATOM 332 O VAL A 24 1.351 -6.492 0.790 1.00 0.00 O ATOM 333 CB VAL A 24 1.282 -8.106 3.778 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.427 -7.171 4.969 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.738 -9.464 4.203 1.00 0.00 C ATOM 0 H VAL A 24 0.475 -9.365 1.781 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.514 -7.082 3.229 1.00 0.00 H new ATOM 0 HB VAL A 24 2.277 -8.240 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.091 -7.621 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.845 -6.221 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.449 -7.000 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.395 -9.899 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.262 -9.341 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.691 -10.124 3.337 1.00 0.00 H new ATOM 345 N GLU A 25 1.228 -5.261 2.662 1.00 0.00 N ATOM 346 CA GLU A 25 1.829 -4.098 2.082 1.00 0.00 C ATOM 347 C GLU A 25 3.328 -4.223 2.108 1.00 0.00 C ATOM 348 O GLU A 25 3.929 -4.622 3.106 1.00 0.00 O ATOM 349 CB GLU A 25 1.390 -2.835 2.827 1.00 0.00 C ATOM 350 CG GLU A 25 0.051 -2.289 2.360 1.00 0.00 C ATOM 351 CD GLU A 25 0.007 -0.773 2.357 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.856 -0.152 3.031 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.877 -0.207 1.680 1.00 0.00 O ATOM 0 H GLU A 25 0.969 -5.153 3.643 1.00 0.00 H new ATOM 0 HA GLU A 25 1.499 -4.018 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.332 -3.054 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.151 -2.065 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.156 -2.657 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.738 -2.670 3.008 1.00 0.00 H new ATOM 360 N ASP A 26 3.917 -3.842 1.009 1.00 0.00 N ATOM 361 CA ASP A 26 5.344 -3.851 0.846 1.00 0.00 C ATOM 362 C ASP A 26 5.991 -5.233 0.944 1.00 0.00 C ATOM 363 O ASP A 26 6.414 -5.659 2.018 1.00 0.00 O ATOM 364 CB ASP A 26 5.999 -2.888 1.830 1.00 0.00 C ATOM 365 CG ASP A 26 6.595 -1.673 1.145 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.819 -0.798 0.706 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.838 -1.596 1.050 1.00 0.00 O ATOM 0 H ASP A 26 3.411 -3.511 0.188 1.00 0.00 H new ATOM 0 HA ASP A 26 5.519 -3.520 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.259 -2.562 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.781 -3.412 2.379 1.00 0.00 H new ATOM 372 N TYR A 27 6.100 -5.911 -0.202 1.00 0.00 N ATOM 373 CA TYR A 27 6.735 -7.223 -0.266 1.00 0.00 C ATOM 374 C TYR A 27 8.187 -7.109 0.163 1.00 0.00 C ATOM 375 O TYR A 27 9.045 -6.719 -0.628 1.00 0.00 O ATOM 376 CB TYR A 27 6.658 -7.780 -1.697 1.00 0.00 C ATOM 377 CG TYR A 27 7.851 -8.620 -2.115 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.036 -9.902 -1.612 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.787 -8.128 -3.015 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.120 -10.669 -1.994 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.873 -8.888 -3.402 1.00 0.00 C ATOM 382 CZ TYR A 27 10.036 -10.158 -2.889 1.00 0.00 C ATOM 383 OH TYR A 27 11.118 -10.918 -3.272 1.00 0.00 O ATOM 0 H TYR A 27 5.754 -5.569 -1.099 1.00 0.00 H new ATOM 0 HA TYR A 27 6.211 -7.903 0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.755 -8.384 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.556 -6.946 -2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.321 -10.306 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.664 -7.134 -3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.249 -11.664 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.592 -8.490 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 27 11.665 -10.411 -3.908 1.00 0.00 H new ATOM 393 N ARG A 28 8.467 -7.444 1.417 1.00 0.00 N ATOM 394 CA ARG A 28 9.827 -7.364 1.925 1.00 0.00 C ATOM 395 C ARG A 28 10.430 -6.004 1.592 1.00 0.00 C ATOM 396 O ARG A 28 11.604 -5.902 1.235 1.00 0.00 O ATOM 397 CB ARG A 28 10.679 -8.477 1.312 1.00 0.00 C ATOM 398 CG ARG A 28 9.998 -9.838 1.297 1.00 0.00 C ATOM 399 CD ARG A 28 10.386 -10.676 2.507 1.00 0.00 C ATOM 400 NE ARG A 28 11.144 -11.867 2.126 1.00 0.00 N ATOM 401 CZ ARG A 28 12.472 -11.909 2.034 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.201 -10.831 2.297 1.00 0.00 N ATOM 403 NH2 ARG A 28 13.075 -13.034 1.676 1.00 0.00 N ATOM 0 H ARG A 28 7.777 -7.770 2.093 1.00 0.00 H new ATOM 0 HA ARG A 28 9.808 -7.486 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.939 -8.201 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.613 -8.555 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.916 -9.703 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.268 -10.370 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.980 -10.071 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.486 -10.975 3.045 1.00 0.00 H new ATOM 0 HE ARG A 28 10.623 -12.719 1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.745 -9.961 2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.218 -10.873 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.522 -13.866 1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.092 -13.067 1.605 1.00 0.00 H new ATOM 417 N ALA A 29 9.596 -4.966 1.689 1.00 0.00 N ATOM 418 CA ALA A 29 9.998 -3.593 1.383 1.00 0.00 C ATOM 419 C ALA A 29 9.717 -3.268 -0.081 1.00 0.00 C ATOM 420 O ALA A 29 10.473 -2.540 -0.725 1.00 0.00 O ATOM 421 CB ALA A 29 11.468 -3.356 1.712 1.00 0.00 C ATOM 0 H ALA A 29 8.623 -5.055 1.982 1.00 0.00 H new ATOM 0 HA ALA A 29 9.406 -2.925 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.733 -2.326 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.637 -3.537 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.086 -4.036 1.125 1.00 0.00 H new ATOM 427 N GLY A 30 8.622 -3.822 -0.601 1.00 0.00 N ATOM 428 CA GLY A 30 8.250 -3.590 -1.987 1.00 0.00 C ATOM 429 C GLY A 30 6.774 -3.260 -2.153 1.00 0.00 C ATOM 430 O GLY A 30 6.271 -2.313 -1.549 1.00 0.00 O ATOM 0 H GLY A 30 7.985 -4.429 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.848 -2.771 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.488 -4.476 -2.576 1.00 0.00 H new ATOM 434 N ASP A 31 6.090 -4.033 -2.995 1.00 0.00 N ATOM 435 CA ASP A 31 4.665 -3.820 -3.261 1.00 0.00 C ATOM 436 C ASP A 31 3.796 -4.713 -2.367 1.00 0.00 C ATOM 437 O ASP A 31 4.130 -4.949 -1.214 1.00 0.00 O ATOM 438 CB ASP A 31 4.365 -4.056 -4.746 1.00 0.00 C ATOM 439 CG ASP A 31 5.503 -3.601 -5.645 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.408 -4.417 -5.919 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.488 -2.428 -6.070 1.00 0.00 O ATOM 0 H ASP A 31 6.499 -4.815 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 31 4.418 -2.786 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.176 -5.117 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.454 -3.523 -5.019 1.00 0.00 H new ATOM 446 N MET A 32 2.674 -5.198 -2.894 1.00 0.00 N ATOM 447 CA MET A 32 1.768 -6.041 -2.120 1.00 0.00 C ATOM 448 C MET A 32 2.129 -7.515 -2.247 1.00 0.00 C ATOM 449 O MET A 32 2.155 -8.074 -3.335 1.00 0.00 O ATOM 450 CB MET A 32 0.351 -5.804 -2.586 1.00 0.00 C ATOM 451 CG MET A 32 -0.206 -4.468 -2.124 1.00 0.00 C ATOM 452 SD MET A 32 -1.899 -4.188 -2.664 1.00 0.00 S ATOM 453 CE MET A 32 -1.858 -2.427 -2.988 1.00 0.00 C ATOM 0 H MET A 32 2.371 -5.022 -3.852 1.00 0.00 H new ATOM 0 HA MET A 32 1.860 -5.774 -1.067 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.319 -5.849 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.287 -6.606 -2.215 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.165 -4.420 -1.036 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.428 -3.666 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.560 -1.919 -2.327 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.852 -2.047 -2.809 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.137 -2.241 -4.025 1.00 0.00 H new ATOM 463 N ILE A 33 2.462 -8.116 -1.121 1.00 0.00 N ATOM 464 CA ILE A 33 2.897 -9.500 -1.073 1.00 0.00 C ATOM 465 C ILE A 33 1.832 -10.439 -0.526 1.00 0.00 C ATOM 466 O ILE A 33 1.368 -10.280 0.601 1.00 0.00 O ATOM 467 CB ILE A 33 4.163 -9.567 -0.190 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.952 -10.850 -0.414 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.796 -9.418 1.275 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.169 -12.091 -0.083 1.00 0.00 C ATOM 0 H ILE A 33 2.439 -7.657 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 33 3.101 -9.832 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 33 4.806 -8.737 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.271 -10.896 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.856 -10.825 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.699 -9.467 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.305 -8.457 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.119 -10.222 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.787 -12.970 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.873 -12.065 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.279 -12.138 -0.711 1.00 0.00 H new ATOM 482 N CYS A 34 1.490 -11.447 -1.317 1.00 0.00 N ATOM 483 CA CYS A 34 0.529 -12.445 -0.890 1.00 0.00 C ATOM 484 C CYS A 34 1.280 -13.538 -0.153 1.00 0.00 C ATOM 485 O CYS A 34 1.814 -14.435 -0.789 1.00 0.00 O ATOM 486 CB CYS A 34 -0.201 -13.051 -2.085 1.00 0.00 C ATOM 487 SG CYS A 34 -1.313 -14.409 -1.668 1.00 0.00 S ATOM 0 H CYS A 34 1.865 -11.592 -2.255 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.213 -11.976 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.774 -12.267 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.537 -13.409 -2.803 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.327 -14.405 -2.481 1.00 0.00 H new ATOM 493 N PRO A 35 1.333 -13.490 1.187 1.00 0.00 N ATOM 494 CA PRO A 35 2.049 -14.479 2.001 1.00 0.00 C ATOM 495 C PRO A 35 1.855 -15.923 1.541 1.00 0.00 C ATOM 496 O PRO A 35 2.594 -16.812 1.962 1.00 0.00 O ATOM 497 CB PRO A 35 1.462 -14.282 3.412 1.00 0.00 C ATOM 498 CG PRO A 35 0.371 -13.270 3.264 1.00 0.00 C ATOM 499 CD PRO A 35 0.702 -12.478 2.034 1.00 0.00 C ATOM 0 HA PRO A 35 3.126 -14.324 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.073 -15.220 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.226 -13.934 4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.600 -13.755 3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.317 -12.624 4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.188 -12.053 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.375 -11.649 2.251 1.00 0.00 H new ATOM 507 N GLU A 36 0.867 -16.161 0.697 1.00 0.00 N ATOM 508 CA GLU A 36 0.590 -17.504 0.221 1.00 0.00 C ATOM 509 C GLU A 36 1.376 -17.808 -1.048 1.00 0.00 C ATOM 510 O GLU A 36 2.267 -18.650 -1.043 1.00 0.00 O ATOM 511 CB GLU A 36 -0.911 -17.664 -0.013 1.00 0.00 C ATOM 512 CG GLU A 36 -1.643 -18.292 1.160 1.00 0.00 C ATOM 513 CD GLU A 36 -1.336 -19.767 1.322 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.146 -20.111 1.490 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.283 -20.579 1.280 1.00 0.00 O ATOM 0 H GLU A 36 0.244 -15.443 0.328 1.00 0.00 H new ATOM 0 HA GLU A 36 0.908 -18.219 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.345 -16.686 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.069 -18.277 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.371 -17.766 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.717 -18.162 1.024 1.00 0.00 H new ATOM 522 N CYS A 37 1.097 -17.079 -2.117 1.00 0.00 N ATOM 523 CA CYS A 37 1.843 -17.263 -3.360 1.00 0.00 C ATOM 524 C CYS A 37 3.027 -16.321 -3.334 1.00 0.00 C ATOM 525 O CYS A 37 4.018 -16.502 -4.038 1.00 0.00 O ATOM 526 CB CYS A 37 0.970 -16.976 -4.586 1.00 0.00 C ATOM 527 SG CYS A 37 0.098 -15.397 -4.525 1.00 0.00 S ATOM 0 H CYS A 37 0.371 -16.363 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 37 2.173 -18.299 -3.435 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.598 -16.997 -5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.239 -17.777 -4.692 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.391 -15.217 -3.334 1.00 0.00 H new ATOM 533 N GLY A 38 2.885 -15.313 -2.489 1.00 0.00 N ATOM 534 CA GLY A 38 3.891 -14.308 -2.303 1.00 0.00 C ATOM 535 C GLY A 38 4.052 -13.429 -3.515 1.00 0.00 C ATOM 536 O GLY A 38 5.150 -12.963 -3.820 1.00 0.00 O ATOM 0 H GLY A 38 2.055 -15.178 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.631 -13.692 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.843 -14.788 -2.076 1.00 0.00 H new ATOM 540 N LEU A 39 2.943 -13.198 -4.198 1.00 0.00 N ATOM 541 CA LEU A 39 2.939 -12.362 -5.381 1.00 0.00 C ATOM 542 C LEU A 39 3.066 -10.903 -4.980 1.00 0.00 C ATOM 543 O LEU A 39 2.544 -10.492 -3.941 1.00 0.00 O ATOM 544 CB LEU A 39 1.657 -12.595 -6.192 1.00 0.00 C ATOM 545 CG LEU A 39 0.482 -11.659 -5.865 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.179 -10.755 -7.047 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.754 -12.453 -5.477 1.00 0.00 C ATOM 0 H LEU A 39 2.031 -13.581 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 39 3.790 -12.626 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.895 -12.493 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.332 -13.624 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 39 0.769 -11.040 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.655 -10.099 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.057 -10.153 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.083 -11.363 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.571 -11.767 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.044 -13.102 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.536 -13.060 -4.598 1.00 0.00 H new ATOM 559 N VAL A 40 3.782 -10.142 -5.793 1.00 0.00 N ATOM 560 CA VAL A 40 4.007 -8.735 -5.532 1.00 0.00 C ATOM 561 C VAL A 40 3.243 -7.870 -6.526 1.00 0.00 C ATOM 562 O VAL A 40 3.578 -7.834 -7.710 1.00 0.00 O ATOM 563 CB VAL A 40 5.508 -8.408 -5.615 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.771 -6.971 -5.201 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.303 -9.378 -4.756 1.00 0.00 C ATOM 0 H VAL A 40 4.221 -10.484 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 40 3.646 -8.519 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 40 5.832 -8.519 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.839 -6.763 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.228 -6.296 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.435 -6.821 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.364 -9.137 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.977 -9.297 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.139 -10.396 -5.110 1.00 0.00 H new ATOM 575 N VAL A 41 2.226 -7.161 -6.045 1.00 0.00 N ATOM 576 CA VAL A 41 1.440 -6.289 -6.910 1.00 0.00 C ATOM 577 C VAL A 41 1.686 -4.828 -6.557 1.00 0.00 C ATOM 578 O VAL A 41 1.676 -4.457 -5.385 1.00 0.00 O ATOM 579 CB VAL A 41 -0.085 -6.539 -6.824 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.726 -6.371 -8.191 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.420 -7.900 -6.261 1.00 0.00 C ATOM 0 H VAL A 41 1.929 -7.173 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 41 1.768 -6.519 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.488 -5.796 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.798 -6.550 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.552 -5.357 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.288 -7.085 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.503 -8.022 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.010 -8.673 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.010 -7.989 -5.255 1.00 0.00 H new ATOM 591 N GLY A 42 1.887 -3.997 -7.573 1.00 0.00 N ATOM 592 CA GLY A 42 2.114 -2.586 -7.334 1.00 0.00 C ATOM 593 C GLY A 42 3.421 -2.103 -7.916 1.00 0.00 C ATOM 594 O GLY A 42 4.324 -2.894 -8.185 1.00 0.00 O ATOM 0 H GLY A 42 1.897 -4.275 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.294 -2.011 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.106 -2.397 -6.261 1.00 0.00 H new ATOM 598 N ASP A 43 3.516 -0.797 -8.103 1.00 0.00 N ATOM 599 CA ASP A 43 4.711 -0.183 -8.653 1.00 0.00 C ATOM 600 C ASP A 43 4.591 1.335 -8.612 1.00 0.00 C ATOM 601 O ASP A 43 3.794 1.922 -9.344 1.00 0.00 O ATOM 602 CB ASP A 43 4.942 -0.657 -10.090 1.00 0.00 C ATOM 603 CG ASP A 43 6.163 -1.544 -10.218 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.232 -1.162 -9.695 1.00 0.00 O ATOM 605 OD2 ASP A 43 6.053 -2.622 -10.841 1.00 0.00 O ATOM 0 H ASP A 43 2.771 -0.137 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 43 5.565 -0.483 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.063 -1.202 -10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.056 0.210 -10.741 1.00 0.00 H new ATOM 610 N ARG A 44 5.382 1.967 -7.751 1.00 0.00 N ATOM 611 CA ARG A 44 5.357 3.419 -7.617 1.00 0.00 C ATOM 612 C ARG A 44 3.978 3.900 -7.177 1.00 0.00 C ATOM 613 O ARG A 44 3.103 4.146 -8.005 1.00 0.00 O ATOM 614 CB ARG A 44 5.742 4.082 -8.941 1.00 0.00 C ATOM 615 CG ARG A 44 7.243 4.142 -9.178 1.00 0.00 C ATOM 616 CD ARG A 44 7.945 4.966 -8.110 1.00 0.00 C ATOM 617 NE ARG A 44 8.430 4.136 -7.012 1.00 0.00 N ATOM 618 CZ ARG A 44 9.474 3.316 -7.106 1.00 0.00 C ATOM 619 NH1 ARG A 44 10.145 3.212 -8.248 1.00 0.00 N ATOM 620 NH2 ARG A 44 9.850 2.597 -6.058 1.00 0.00 N ATOM 0 H ARG A 44 6.047 1.497 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 44 6.082 3.701 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.275 3.536 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.339 5.094 -8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.652 3.131 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.440 4.573 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.782 5.502 -8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.257 5.717 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 44 7.940 4.187 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.861 3.762 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.944 2.582 -8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.339 2.672 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.650 1.969 -6.131 1.00 0.00 H new ATOM 634 N VAL A 45 3.792 4.032 -5.867 1.00 0.00 N ATOM 635 CA VAL A 45 2.519 4.484 -5.317 1.00 0.00 C ATOM 636 C VAL A 45 2.598 5.941 -4.874 1.00 0.00 C ATOM 637 O VAL A 45 1.594 6.655 -4.878 1.00 0.00 O ATOM 638 CB VAL A 45 2.085 3.617 -4.119 1.00 0.00 C ATOM 639 CG1 VAL A 45 0.663 3.958 -3.699 1.00 0.00 C ATOM 640 CG2 VAL A 45 2.211 2.137 -4.453 1.00 0.00 C ATOM 0 H VAL A 45 4.507 3.832 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 45 1.779 4.388 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 45 2.748 3.833 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.375 3.336 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.610 5.008 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.016 3.775 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.900 1.542 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.576 1.901 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.248 1.906 -4.698 1.00 0.00 H new ATOM 650 N ILE A 46 3.797 6.374 -4.490 1.00 0.00 N ATOM 651 CA ILE A 46 4.024 7.747 -4.037 1.00 0.00 C ATOM 652 C ILE A 46 2.927 8.217 -3.084 1.00 0.00 C ATOM 653 O ILE A 46 2.620 9.408 -3.014 1.00 0.00 O ATOM 654 CB ILE A 46 4.118 8.729 -5.225 1.00 0.00 C ATOM 655 CG1 ILE A 46 2.803 8.760 -6.006 1.00 0.00 C ATOM 656 CG2 ILE A 46 5.272 8.343 -6.140 1.00 0.00 C ATOM 657 CD1 ILE A 46 2.695 9.928 -6.962 1.00 0.00 C ATOM 0 H ILE A 46 4.633 5.790 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 46 4.975 7.741 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 46 4.305 9.728 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.701 7.831 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.972 8.800 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.326 9.044 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.206 8.373 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.111 7.336 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.738 9.886 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.765 10.862 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.505 9.879 -7.690 1.00 0.00 H new ATOM 669 N ASP A 47 2.343 7.276 -2.347 1.00 0.00 N ATOM 670 CA ASP A 47 1.285 7.593 -1.395 1.00 0.00 C ATOM 671 C ASP A 47 0.151 8.364 -2.067 1.00 0.00 C ATOM 672 O ASP A 47 0.259 9.568 -2.299 1.00 0.00 O ATOM 673 CB ASP A 47 1.847 8.406 -0.228 1.00 0.00 C ATOM 674 CG ASP A 47 0.984 8.309 1.014 1.00 0.00 C ATOM 675 OD1 ASP A 47 -0.237 8.545 0.909 1.00 0.00 O ATOM 676 OD2 ASP A 47 1.530 7.996 2.094 1.00 0.00 O ATOM 0 H ASP A 47 2.586 6.286 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 47 0.883 6.653 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.853 8.056 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.934 9.451 -0.526 1.00 0.00 H new ATOM 681 N VAL A 48 -0.935 7.662 -2.375 1.00 0.00 N ATOM 682 CA VAL A 48 -2.088 8.283 -3.019 1.00 0.00 C ATOM 683 C VAL A 48 -3.230 8.472 -2.024 1.00 0.00 C ATOM 684 O VAL A 48 -3.067 8.244 -0.826 1.00 0.00 O ATOM 685 CB VAL A 48 -2.597 7.454 -4.221 1.00 0.00 C ATOM 686 CG1 VAL A 48 -2.840 8.352 -5.425 1.00 0.00 C ATOM 687 CG2 VAL A 48 -1.620 6.339 -4.575 1.00 0.00 C ATOM 0 H VAL A 48 -1.041 6.665 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.755 9.254 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.542 6.994 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.198 7.751 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.587 9.104 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.909 8.845 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.005 5.774 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.654 6.771 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.502 5.674 -3.720 1.00 0.00 H new ATOM 697 N GLY A 49 -4.386 8.890 -2.530 1.00 0.00 N ATOM 698 CA GLY A 49 -5.537 9.102 -1.672 1.00 0.00 C ATOM 699 C GLY A 49 -5.645 10.533 -1.189 1.00 0.00 C ATOM 700 O GLY A 49 -6.182 11.394 -1.887 1.00 0.00 O ATOM 0 H GLY A 49 -4.546 9.086 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.444 8.836 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.473 8.436 -0.812 1.00 0.00 H new ATOM 704 N SER A 50 -5.131 10.792 0.011 1.00 0.00 N ATOM 705 CA SER A 50 -5.171 12.131 0.587 1.00 0.00 C ATOM 706 C SER A 50 -6.609 12.611 0.751 1.00 0.00 C ATOM 707 O SER A 50 -7.224 13.096 -0.200 1.00 0.00 O ATOM 708 CB SER A 50 -4.390 13.111 -0.291 1.00 0.00 C ATOM 709 OG SER A 50 -4.451 14.425 0.233 1.00 0.00 O ATOM 0 H SER A 50 -4.683 10.092 0.602 1.00 0.00 H new ATOM 0 HA SER A 50 -4.707 12.089 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.350 12.792 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.796 13.100 -1.303 1.00 0.00 H new ATOM 0 HG SER A 50 -3.943 15.032 -0.345 1.00 0.00 H new ATOM 715 N GLU A 51 -7.140 12.474 1.961 1.00 0.00 N ATOM 716 CA GLU A 51 -8.505 12.895 2.249 1.00 0.00 C ATOM 717 C GLU A 51 -8.599 13.573 3.616 1.00 0.00 C ATOM 718 O GLU A 51 -9.687 13.721 4.171 1.00 0.00 O ATOM 719 CB GLU A 51 -9.452 11.694 2.193 1.00 0.00 C ATOM 720 CG GLU A 51 -10.496 11.792 1.093 1.00 0.00 C ATOM 721 CD GLU A 51 -11.889 12.056 1.631 1.00 0.00 C ATOM 722 OE1 GLU A 51 -12.287 11.379 2.604 1.00 0.00 O ATOM 723 OE2 GLU A 51 -12.582 12.936 1.079 1.00 0.00 O ATOM 0 H GLU A 51 -6.645 12.074 2.758 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.800 13.620 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.866 10.787 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.957 11.595 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.219 12.591 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.502 10.865 0.520 1.00 0.00 H new ATOM 730 N TRP A 52 -7.452 13.984 4.154 1.00 0.00 N ATOM 731 CA TRP A 52 -7.409 14.645 5.454 1.00 0.00 C ATOM 732 C TRP A 52 -7.925 13.721 6.556 1.00 0.00 C ATOM 733 O TRP A 52 -7.140 13.093 7.267 1.00 0.00 O ATOM 734 CB TRP A 52 -8.229 15.937 5.420 1.00 0.00 C ATOM 735 CG TRP A 52 -7.435 17.141 5.008 1.00 0.00 C ATOM 736 CD1 TRP A 52 -6.128 17.166 4.609 1.00 0.00 C ATOM 737 CD2 TRP A 52 -7.896 18.495 4.955 1.00 0.00 C ATOM 738 NE1 TRP A 52 -5.750 18.453 4.311 1.00 0.00 N ATOM 739 CE2 TRP A 52 -6.819 19.287 4.515 1.00 0.00 C ATOM 740 CE3 TRP A 52 -9.117 19.115 5.234 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -6.925 20.666 4.349 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -9.222 20.484 5.069 1.00 0.00 C ATOM 743 CH2 TRP A 52 -8.132 21.246 4.630 1.00 0.00 C ATOM 0 H TRP A 52 -6.541 13.870 3.709 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.370 14.891 5.675 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -9.064 15.810 4.731 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -8.655 16.113 6.408 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.486 16.300 4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -4.825 18.741 3.990 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -9.963 18.535 5.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -6.086 21.256 4.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.161 20.974 5.282 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -8.246 22.313 4.511 1.00 0.00 H new ATOM 754 N ARG A 53 -9.245 13.642 6.694 1.00 0.00 N ATOM 755 CA ARG A 53 -9.860 12.796 7.710 1.00 0.00 C ATOM 756 C ARG A 53 -9.362 13.166 9.104 1.00 0.00 C ATOM 757 O ARG A 53 -8.608 12.417 9.727 1.00 0.00 O ATOM 758 CB ARG A 53 -9.565 11.323 7.421 1.00 0.00 C ATOM 759 CG ARG A 53 -10.722 10.394 7.757 1.00 0.00 C ATOM 760 CD ARG A 53 -10.952 10.311 9.257 1.00 0.00 C ATOM 761 NE ARG A 53 -11.280 8.953 9.686 1.00 0.00 N ATOM 762 CZ ARG A 53 -11.778 8.655 10.884 1.00 0.00 C ATOM 763 NH1 ARG A 53 -12.006 9.614 11.774 1.00 0.00 N ATOM 764 NH2 ARG A 53 -12.050 7.395 11.194 1.00 0.00 N ATOM 0 H ARG A 53 -9.910 14.154 6.114 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.938 12.957 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.315 11.211 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.687 11.018 7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.629 10.749 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.517 9.398 7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.058 10.651 9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.761 10.985 9.538 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.118 8.189 9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.799 10.585 11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.388 9.379 12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.878 6.654 10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.432 7.167 12.112 1.00 0.00 H new ATOM 778 N THR A 54 -9.788 14.328 9.589 1.00 0.00 N ATOM 779 CA THR A 54 -9.385 14.800 10.909 1.00 0.00 C ATOM 780 C THR A 54 -10.545 15.495 11.614 1.00 0.00 C ATOM 781 O THR A 54 -11.684 15.451 11.149 1.00 0.00 O ATOM 782 CB THR A 54 -8.196 15.755 10.791 1.00 0.00 C ATOM 783 OG1 THR A 54 -7.520 15.567 9.561 1.00 0.00 O ATOM 784 CG2 THR A 54 -7.180 15.587 11.901 1.00 0.00 C ATOM 0 H THR A 54 -10.412 14.960 9.088 1.00 0.00 H new ATOM 0 HA THR A 54 -9.088 13.936 11.503 1.00 0.00 H new ATOM 0 HB THR A 54 -8.624 16.755 10.858 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.764 16.188 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.363 16.294 11.757 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.657 15.775 12.863 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.787 14.570 11.884 1.00 0.00 H new ATOM 792 N PHE A 55 -10.246 16.138 12.739 1.00 0.00 N ATOM 793 CA PHE A 55 -11.264 16.844 13.510 1.00 0.00 C ATOM 794 C PHE A 55 -10.906 18.320 13.661 1.00 0.00 C ATOM 795 O PHE A 55 -9.822 18.660 14.132 1.00 0.00 O ATOM 796 CB PHE A 55 -11.424 16.203 14.890 1.00 0.00 C ATOM 797 CG PHE A 55 -10.182 16.275 15.732 1.00 0.00 C ATOM 798 CD1 PHE A 55 -9.093 15.465 15.453 1.00 0.00 C ATOM 799 CD2 PHE A 55 -10.106 17.151 16.802 1.00 0.00 C ATOM 800 CE1 PHE A 55 -7.949 15.529 16.227 1.00 0.00 C ATOM 801 CE2 PHE A 55 -8.966 17.220 17.580 1.00 0.00 C ATOM 802 CZ PHE A 55 -7.885 16.407 17.291 1.00 0.00 C ATOM 0 H PHE A 55 -9.308 16.185 13.137 1.00 0.00 H new ATOM 0 HA PHE A 55 -12.208 16.771 12.971 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -12.240 16.696 15.418 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.709 15.158 14.766 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.138 14.776 14.622 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.948 17.788 17.031 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.106 14.893 16.000 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.919 17.907 18.412 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.992 16.459 17.897 1.00 0.00 H new ATOM 812 N SER A 56 -11.826 19.190 13.256 1.00 0.00 N ATOM 813 CA SER A 56 -11.609 20.630 13.345 1.00 0.00 C ATOM 814 C SER A 56 -10.443 21.062 12.460 1.00 0.00 C ATOM 815 O SER A 56 -9.422 20.379 12.384 1.00 0.00 O ATOM 816 CB SER A 56 -11.344 21.040 14.795 1.00 0.00 C ATOM 817 OG SER A 56 -12.210 20.358 15.685 1.00 0.00 O ATOM 0 H SER A 56 -12.729 18.923 12.863 1.00 0.00 H new ATOM 0 HA SER A 56 -12.512 21.129 12.994 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.308 20.823 15.054 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.481 22.116 14.903 1.00 0.00 H new ATOM 0 HG SER A 56 -12.019 20.636 16.605 1.00 0.00 H new ATOM 823 N ASN A 57 -10.603 22.201 11.794 1.00 0.00 N ATOM 824 CA ASN A 57 -9.564 22.725 10.914 1.00 0.00 C ATOM 825 C ASN A 57 -9.092 24.095 11.388 1.00 0.00 C ATOM 826 O ASN A 57 -9.743 24.737 12.210 1.00 0.00 O ATOM 827 CB ASN A 57 -10.082 22.818 9.478 1.00 0.00 C ATOM 828 CG ASN A 57 -9.018 22.468 8.456 1.00 0.00 C ATOM 829 OD1 ASN A 57 -8.412 21.398 8.516 1.00 0.00 O ATOM 830 ND2 ASN A 57 -8.787 23.370 7.510 1.00 0.00 N ATOM 0 H ASN A 57 -11.442 22.779 11.847 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.717 22.039 10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.933 22.147 9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.444 23.829 9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.083 23.189 6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.313 24.244 7.499 1.00 0.00 H new ATOM 837 N ASP A 58 -7.953 24.537 10.862 1.00 0.00 N ATOM 838 CA ASP A 58 -7.393 25.832 11.231 1.00 0.00 C ATOM 839 C ASP A 58 -7.308 26.752 10.016 1.00 0.00 C ATOM 840 O ASP A 58 -7.675 27.925 10.087 1.00 0.00 O ATOM 841 CB ASP A 58 -6.005 25.652 11.850 1.00 0.00 C ATOM 842 CG ASP A 58 -5.818 26.487 13.101 1.00 0.00 C ATOM 843 OD1 ASP A 58 -5.704 27.725 12.978 1.00 0.00 O ATOM 844 OD2 ASP A 58 -5.786 25.902 14.204 1.00 0.00 O ATOM 0 H ASP A 58 -7.401 24.017 10.180 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.053 26.292 11.966 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.852 24.600 12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.245 25.925 11.117 1.00 0.00 H new ATOM 849 N LYS A 59 -6.821 26.213 8.904 1.00 0.00 N ATOM 850 CA LYS A 59 -6.687 26.986 7.675 1.00 0.00 C ATOM 851 C LYS A 59 -7.255 26.219 6.486 1.00 0.00 C ATOM 852 O LYS A 59 -6.635 25.214 6.079 1.00 0.00 O ATOM 853 CB LYS A 59 -5.218 27.329 7.420 1.00 0.00 C ATOM 854 CG LYS A 59 -4.791 28.659 8.021 1.00 0.00 C ATOM 855 CD LYS A 59 -3.447 29.111 7.473 1.00 0.00 C ATOM 856 CE LYS A 59 -2.304 28.298 8.059 1.00 0.00 C ATOM 857 NZ LYS A 59 -1.905 27.175 7.164 1.00 0.00 N ATOM 0 H LYS A 59 -6.512 25.244 8.828 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.253 27.910 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.592 26.537 7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.040 27.352 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.546 29.416 7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.731 28.567 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.444 29.014 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.297 30.167 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.446 28.948 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.601 27.901 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.651 26.346 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.699 26.931 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.087 27.462 6.590 1.00 0.00 H new TER 871 LYS A 59