USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 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 -139:sc= -2.15 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.53! C(o=-16!,f=-19!) USER MOD Set 1.3: A 34 CYS SG : rot 164:sc= -1.26 USER MOD Set 1.4: A 37 CYS SG : rot -34:sc= -5.63! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 17 ASN : amide:sc= -0.0679 X(o=-0.068,f=-0.36) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00564 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00516 K(o=-0.0052,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= -0.0159 (180deg=-0.629) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -19.016 9.943 -9.106 1.00 0.00 N ATOM 2 CA ALA A 2 -18.011 10.674 -9.920 1.00 0.00 C ATOM 3 C ALA A 2 -17.249 9.721 -10.834 1.00 0.00 C ATOM 4 O ALA A 2 -16.269 9.101 -10.423 1.00 0.00 O ATOM 5 CB ALA A 2 -17.045 11.423 -9.016 1.00 0.00 C ATOM 0 HA ALA A 2 -18.539 11.393 -10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.314 11.954 -9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.597 12.138 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.530 10.714 -8.367 1.00 0.00 H new ATOM 10 N SER A 3 -17.706 9.610 -12.078 1.00 0.00 N ATOM 11 CA SER A 3 -17.067 8.733 -13.052 1.00 0.00 C ATOM 12 C SER A 3 -15.795 9.367 -13.607 1.00 0.00 C ATOM 13 O SER A 3 -14.872 8.668 -14.025 1.00 0.00 O ATOM 14 CB SER A 3 -18.033 8.416 -14.195 1.00 0.00 C ATOM 15 OG SER A 3 -19.000 7.460 -13.796 1.00 0.00 O ATOM 0 H SER A 3 -18.516 10.117 -12.435 1.00 0.00 H new ATOM 0 HA SER A 3 -16.797 7.807 -12.545 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.532 9.330 -14.517 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.476 8.038 -15.052 1.00 0.00 H new ATOM 0 HG SER A 3 -19.606 7.276 -14.544 1.00 0.00 H new ATOM 21 N THR A 4 -15.753 10.696 -13.611 1.00 0.00 N ATOM 22 CA THR A 4 -14.594 11.424 -14.117 1.00 0.00 C ATOM 23 C THR A 4 -13.401 11.267 -13.176 1.00 0.00 C ATOM 24 O THR A 4 -12.963 12.228 -12.543 1.00 0.00 O ATOM 25 CB THR A 4 -14.935 12.905 -14.295 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.337 13.098 -14.333 1.00 0.00 O ATOM 27 CG2 THR A 4 -14.357 13.503 -15.560 1.00 0.00 C ATOM 0 H THR A 4 -16.508 11.291 -13.270 1.00 0.00 H new ATOM 0 HA THR A 4 -14.324 11.005 -15.086 1.00 0.00 H new ATOM 0 HB THR A 4 -14.491 13.408 -13.436 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.533 14.052 -14.446 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.636 14.555 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.271 13.416 -15.540 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.748 12.969 -16.426 1.00 0.00 H new ATOM 35 N SER A 5 -12.878 10.048 -13.093 1.00 0.00 N ATOM 36 CA SER A 5 -11.735 9.764 -12.232 1.00 0.00 C ATOM 37 C SER A 5 -10.715 8.892 -12.954 1.00 0.00 C ATOM 38 O SER A 5 -11.070 7.896 -13.586 1.00 0.00 O ATOM 39 CB SER A 5 -12.196 9.073 -10.947 1.00 0.00 C ATOM 40 OG SER A 5 -11.093 8.568 -10.216 1.00 0.00 O ATOM 0 H SER A 5 -13.227 9.241 -13.611 1.00 0.00 H new ATOM 0 HA SER A 5 -11.260 10.711 -11.976 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.752 9.779 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.877 8.258 -11.193 1.00 0.00 H new ATOM 0 HG SER A 5 -11.414 8.133 -9.399 1.00 0.00 H new ATOM 46 N ARG A 6 -9.445 9.272 -12.857 1.00 0.00 N ATOM 47 CA ARG A 6 -8.372 8.524 -13.501 1.00 0.00 C ATOM 48 C ARG A 6 -8.316 7.092 -12.978 1.00 0.00 C ATOM 49 O ARG A 6 -8.264 6.139 -13.756 1.00 0.00 O ATOM 50 CB ARG A 6 -7.027 9.219 -13.267 1.00 0.00 C ATOM 51 CG ARG A 6 -6.162 9.303 -14.515 1.00 0.00 C ATOM 52 CD ARG A 6 -4.890 8.483 -14.372 1.00 0.00 C ATOM 53 NE ARG A 6 -4.511 7.835 -15.625 1.00 0.00 N ATOM 54 CZ ARG A 6 -3.959 8.475 -16.653 1.00 0.00 C ATOM 55 NH1 ARG A 6 -3.719 9.780 -16.580 1.00 0.00 N ATOM 56 NH2 ARG A 6 -3.645 7.811 -17.756 1.00 0.00 N ATOM 0 H ARG A 6 -9.134 10.094 -12.339 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.576 8.492 -14.571 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.208 10.226 -12.892 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.480 8.683 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.729 8.948 -15.376 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.904 10.344 -14.710 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.078 9.129 -14.038 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.032 7.726 -13.601 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.679 6.833 -15.718 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.958 10.296 -15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.296 10.266 -17.371 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.826 6.809 -17.817 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.222 8.302 -18.544 1.00 0.00 H new ATOM 70 N LEU A 7 -8.331 6.948 -11.657 1.00 0.00 N ATOM 71 CA LEU A 7 -8.283 5.632 -11.030 1.00 0.00 C ATOM 72 C LEU A 7 -8.912 5.670 -9.641 1.00 0.00 C ATOM 73 O LEU A 7 -8.508 6.460 -8.788 1.00 0.00 O ATOM 74 CB LEU A 7 -6.837 5.140 -10.938 1.00 0.00 C ATOM 75 CG LEU A 7 -6.364 4.296 -12.126 1.00 0.00 C ATOM 76 CD1 LEU A 7 -4.980 4.733 -12.578 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.367 2.818 -11.764 1.00 0.00 C ATOM 0 H LEU A 7 -8.376 7.727 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.854 4.940 -11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.180 6.005 -10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.726 4.552 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.057 4.450 -12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.663 4.121 -13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.009 5.780 -12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.274 4.612 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.028 2.233 -12.619 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.698 2.649 -10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.377 2.512 -11.492 1.00 0.00 H new ATOM 89 N ASP A 8 -9.903 4.812 -9.422 1.00 0.00 N ATOM 90 CA ASP A 8 -10.588 4.749 -8.136 1.00 0.00 C ATOM 91 C ASP A 8 -9.785 3.934 -7.127 1.00 0.00 C ATOM 92 O ASP A 8 -9.565 4.370 -5.997 1.00 0.00 O ATOM 93 CB ASP A 8 -11.982 4.142 -8.306 1.00 0.00 C ATOM 94 CG ASP A 8 -11.952 2.825 -9.057 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.400 2.792 -10.176 1.00 0.00 O ATOM 96 OD2 ASP A 8 -12.482 1.826 -8.525 1.00 0.00 O ATOM 0 H ASP A 8 -10.249 4.151 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.685 5.766 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.430 3.987 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.620 4.847 -8.840 1.00 0.00 H new ATOM 101 N ALA A 9 -9.351 2.748 -7.541 1.00 0.00 N ATOM 102 CA ALA A 9 -8.574 1.873 -6.670 1.00 0.00 C ATOM 103 C ALA A 9 -7.559 1.063 -7.468 1.00 0.00 C ATOM 104 O ALA A 9 -7.897 0.044 -8.071 1.00 0.00 O ATOM 105 CB ALA A 9 -9.498 0.947 -5.894 1.00 0.00 C ATOM 0 H ALA A 9 -9.524 2.371 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.026 2.498 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.905 0.299 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.180 1.540 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.071 0.337 -6.592 1.00 0.00 H new ATOM 111 N LEU A 10 -6.311 1.521 -7.466 1.00 0.00 N ATOM 112 CA LEU A 10 -5.245 0.839 -8.189 1.00 0.00 C ATOM 113 C LEU A 10 -4.873 -0.484 -7.518 1.00 0.00 C ATOM 114 O LEU A 10 -4.805 -1.520 -8.179 1.00 0.00 O ATOM 115 CB LEU A 10 -4.011 1.738 -8.296 1.00 0.00 C ATOM 116 CG LEU A 10 -4.298 3.189 -8.692 1.00 0.00 C ATOM 117 CD1 LEU A 10 -4.059 4.123 -7.516 1.00 0.00 C ATOM 118 CD2 LEU A 10 -3.440 3.598 -9.882 1.00 0.00 C ATOM 0 H LEU A 10 -6.014 2.362 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.613 0.619 -9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.494 1.735 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.328 1.306 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.346 3.264 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.268 5.149 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.716 3.846 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.021 4.044 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.658 4.632 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.386 3.505 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.661 2.950 -10.730 1.00 0.00 H new ATOM 130 N PRO A 11 -4.621 -0.477 -6.194 1.00 0.00 N ATOM 131 CA PRO A 11 -4.254 -1.695 -5.462 1.00 0.00 C ATOM 132 C PRO A 11 -5.423 -2.665 -5.329 1.00 0.00 C ATOM 133 O PRO A 11 -6.585 -2.267 -5.410 1.00 0.00 O ATOM 134 CB PRO A 11 -3.832 -1.174 -4.088 1.00 0.00 C ATOM 135 CG PRO A 11 -4.564 0.112 -3.928 1.00 0.00 C ATOM 136 CD PRO A 11 -4.670 0.704 -5.306 1.00 0.00 C ATOM 0 HA PRO A 11 -3.474 -2.258 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.095 -1.879 -3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.754 -1.025 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.552 -0.052 -3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.030 0.783 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.597 1.263 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.851 1.394 -5.510 1.00 0.00 H new ATOM 144 N ARG A 12 -5.106 -3.940 -5.128 1.00 0.00 N ATOM 145 CA ARG A 12 -6.130 -4.968 -4.985 1.00 0.00 C ATOM 146 C ARG A 12 -6.580 -5.093 -3.534 1.00 0.00 C ATOM 147 O ARG A 12 -6.038 -4.434 -2.646 1.00 0.00 O ATOM 148 CB ARG A 12 -5.604 -6.317 -5.482 1.00 0.00 C ATOM 149 CG ARG A 12 -4.777 -6.221 -6.755 1.00 0.00 C ATOM 150 CD ARG A 12 -5.571 -5.593 -7.890 1.00 0.00 C ATOM 151 NE ARG A 12 -6.225 -6.599 -8.723 1.00 0.00 N ATOM 152 CZ ARG A 12 -7.232 -6.334 -9.552 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.705 -5.099 -9.660 1.00 0.00 N ATOM 154 NH2 ARG A 12 -7.768 -7.308 -10.275 1.00 0.00 N ATOM 0 H ARG A 12 -4.149 -4.286 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.988 -4.673 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.997 -6.771 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.448 -6.984 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.882 -5.629 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.444 -7.216 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.322 -4.920 -7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.906 -4.989 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.890 -7.561 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.297 -4.346 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.477 -4.902 -10.297 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.409 -8.259 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.540 -7.106 -10.911 1.00 0.00 H new ATOM 168 N VAL A 13 -7.573 -5.944 -3.301 1.00 0.00 N ATOM 169 CA VAL A 13 -8.097 -6.160 -1.957 1.00 0.00 C ATOM 170 C VAL A 13 -7.720 -7.544 -1.434 1.00 0.00 C ATOM 171 O VAL A 13 -7.684 -7.771 -0.224 1.00 0.00 O ATOM 172 CB VAL A 13 -9.631 -6.011 -1.916 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.120 -5.919 -0.479 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.075 -4.795 -2.716 1.00 0.00 C ATOM 0 H VAL A 13 -8.032 -6.496 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.649 -5.397 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.074 -6.897 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.205 -5.814 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.838 -6.824 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.668 -5.053 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.161 -4.708 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.623 -3.897 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.760 -4.907 -3.753 1.00 0.00 H new ATOM 184 N THR A 14 -7.441 -8.466 -2.351 1.00 0.00 N ATOM 185 CA THR A 14 -7.067 -9.826 -1.979 1.00 0.00 C ATOM 186 C THR A 14 -6.420 -10.554 -3.153 1.00 0.00 C ATOM 187 O THR A 14 -6.460 -10.082 -4.289 1.00 0.00 O ATOM 188 CB THR A 14 -8.295 -10.601 -1.495 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.489 -9.967 -1.919 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.359 -10.740 0.010 1.00 0.00 C ATOM 0 H THR A 14 -7.467 -8.296 -3.356 1.00 0.00 H new ATOM 0 HA THR A 14 -6.341 -9.767 -1.168 1.00 0.00 H new ATOM 0 HB THR A 14 -8.200 -11.595 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.262 -10.479 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.253 -11.299 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.475 -11.271 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.395 -9.750 0.466 1.00 0.00 H new ATOM 198 N CYS A 15 -5.828 -11.710 -2.868 1.00 0.00 N ATOM 199 CA CYS A 15 -5.175 -12.511 -3.897 1.00 0.00 C ATOM 200 C CYS A 15 -6.213 -13.234 -4.754 1.00 0.00 C ATOM 201 O CYS A 15 -7.179 -13.788 -4.231 1.00 0.00 O ATOM 202 CB CYS A 15 -4.232 -13.526 -3.249 1.00 0.00 C ATOM 203 SG CYS A 15 -3.281 -14.519 -4.422 1.00 0.00 S ATOM 0 H CYS A 15 -5.787 -12.113 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.598 -11.847 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.539 -12.995 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.817 -14.194 -2.617 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.232 -15.750 -4.008 1.00 0.00 H new ATOM 209 N PRO A 16 -6.033 -13.236 -6.089 1.00 0.00 N ATOM 210 CA PRO A 16 -6.968 -13.895 -7.008 1.00 0.00 C ATOM 211 C PRO A 16 -7.027 -15.406 -6.803 1.00 0.00 C ATOM 212 O PRO A 16 -8.011 -16.051 -7.166 1.00 0.00 O ATOM 213 CB PRO A 16 -6.407 -13.565 -8.395 1.00 0.00 C ATOM 214 CG PRO A 16 -4.972 -13.243 -8.161 1.00 0.00 C ATOM 215 CD PRO A 16 -4.915 -12.600 -6.806 1.00 0.00 C ATOM 0 HA PRO A 16 -7.990 -13.550 -6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.517 -14.409 -9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.933 -12.722 -8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.359 -14.143 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.591 -12.570 -8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.961 -12.785 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.038 -11.519 -6.867 1.00 0.00 H new ATOM 223 N ASN A 17 -5.971 -15.967 -6.223 1.00 0.00 N ATOM 224 CA ASN A 17 -5.907 -17.403 -5.975 1.00 0.00 C ATOM 225 C ASN A 17 -5.860 -17.710 -4.477 1.00 0.00 C ATOM 226 O ASN A 17 -5.978 -18.866 -4.070 1.00 0.00 O ATOM 227 CB ASN A 17 -4.686 -18.005 -6.672 1.00 0.00 C ATOM 228 CG ASN A 17 -5.046 -18.703 -7.970 1.00 0.00 C ATOM 229 OD1 ASN A 17 -6.008 -19.469 -8.030 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.274 -18.440 -9.018 1.00 0.00 N ATOM 0 H ASN A 17 -5.148 -15.449 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.812 -17.853 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.962 -17.216 -6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.203 -18.716 -6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.468 -18.880 -9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.487 -17.798 -8.923 1.00 0.00 H new ATOM 237 N HIS A 18 -5.699 -16.673 -3.658 1.00 0.00 N ATOM 238 CA HIS A 18 -5.649 -16.847 -2.211 1.00 0.00 C ATOM 239 C HIS A 18 -6.575 -15.854 -1.513 1.00 0.00 C ATOM 240 O HIS A 18 -6.145 -14.780 -1.095 1.00 0.00 O ATOM 241 CB HIS A 18 -4.223 -16.675 -1.692 1.00 0.00 C ATOM 242 CG HIS A 18 -3.276 -17.758 -2.111 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.072 -17.498 -2.727 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.334 -19.103 -1.960 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.427 -18.631 -2.931 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.171 -19.622 -2.477 1.00 0.00 N ATOM 0 H HIS A 18 -5.601 -15.707 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.985 -17.859 -1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.836 -15.717 -2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.248 -16.633 -0.603 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.731 -16.572 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.144 -19.663 -1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.455 -18.730 -3.391 1.00 0.00 H new ATOM 255 N PRO A 19 -7.863 -16.201 -1.368 1.00 0.00 N ATOM 256 CA PRO A 19 -8.838 -15.331 -0.711 1.00 0.00 C ATOM 257 C PRO A 19 -8.433 -15.016 0.724 1.00 0.00 C ATOM 258 O PRO A 19 -8.683 -13.920 1.226 1.00 0.00 O ATOM 259 CB PRO A 19 -10.142 -16.138 -0.743 1.00 0.00 C ATOM 260 CG PRO A 19 -9.732 -17.546 -1.017 1.00 0.00 C ATOM 261 CD PRO A 19 -8.465 -17.466 -1.818 1.00 0.00 C ATOM 0 HA PRO A 19 -8.925 -14.365 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.674 -16.062 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.814 -15.767 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.571 -18.092 -0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.508 -18.077 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.811 -18.315 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.666 -17.458 -2.889 1.00 0.00 H new ATOM 269 N ASP A 20 -7.808 -15.989 1.379 1.00 0.00 N ATOM 270 CA ASP A 20 -7.370 -15.826 2.758 1.00 0.00 C ATOM 271 C ASP A 20 -6.058 -15.047 2.837 1.00 0.00 C ATOM 272 O ASP A 20 -5.807 -14.341 3.814 1.00 0.00 O ATOM 273 CB ASP A 20 -7.202 -17.193 3.422 1.00 0.00 C ATOM 274 CG ASP A 20 -8.530 -17.877 3.683 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.279 -18.108 2.710 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.821 -18.180 4.858 1.00 0.00 O ATOM 0 H ASP A 20 -7.594 -16.900 0.974 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.135 -15.257 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.588 -17.830 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.667 -17.073 4.364 1.00 0.00 H new ATOM 281 N ALA A 21 -5.222 -15.181 1.811 1.00 0.00 N ATOM 282 CA ALA A 21 -3.938 -14.487 1.781 1.00 0.00 C ATOM 283 C ALA A 21 -4.104 -13.027 1.379 1.00 0.00 C ATOM 284 O ALA A 21 -4.041 -12.679 0.198 1.00 0.00 O ATOM 285 CB ALA A 21 -2.981 -15.189 0.841 1.00 0.00 C ATOM 0 H ALA A 21 -5.409 -15.761 0.993 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.523 -14.510 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.028 -14.660 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.823 -16.213 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.402 -15.201 -0.165 1.00 0.00 H new ATOM 291 N ILE A 22 -4.348 -12.199 2.382 1.00 0.00 N ATOM 292 CA ILE A 22 -4.561 -10.773 2.174 1.00 0.00 C ATOM 293 C ILE A 22 -3.270 -10.026 1.831 1.00 0.00 C ATOM 294 O ILE A 22 -2.742 -9.280 2.657 1.00 0.00 O ATOM 295 CB ILE A 22 -5.210 -10.116 3.407 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.392 -10.950 3.903 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.660 -8.707 3.063 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.515 -11.064 2.894 1.00 0.00 C ATOM 0 H ILE A 22 -4.404 -12.492 3.357 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.235 -10.697 1.321 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.472 -10.066 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.040 -11.950 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.781 -10.506 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.118 -8.247 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.799 -8.116 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.386 -8.745 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.320 -11.669 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.894 -10.070 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.141 -11.536 1.985 1.00 0.00 H new ATOM 310 N LEU A 23 -2.780 -10.234 0.596 1.00 0.00 N ATOM 311 CA LEU A 23 -1.555 -9.578 0.105 1.00 0.00 C ATOM 312 C LEU A 23 -1.158 -8.433 1.026 1.00 0.00 C ATOM 313 O LEU A 23 -1.851 -7.425 1.116 1.00 0.00 O ATOM 314 CB LEU A 23 -1.753 -9.045 -1.319 1.00 0.00 C ATOM 315 CG LEU A 23 -1.369 -10.010 -2.444 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.606 -10.716 -2.975 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.641 -9.264 -3.558 1.00 0.00 C ATOM 0 H LEU A 23 -3.217 -10.856 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.759 -10.323 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.800 -8.769 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.168 -8.132 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.691 -10.765 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.320 -11.399 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.078 -11.278 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.308 -9.978 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.374 -9.963 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.292 -8.488 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.264 -8.806 -3.158 1.00 0.00 H new ATOM 329 N VAL A 24 -0.071 -8.609 1.743 1.00 0.00 N ATOM 330 CA VAL A 24 0.372 -7.602 2.687 1.00 0.00 C ATOM 331 C VAL A 24 1.100 -6.456 2.004 1.00 0.00 C ATOM 332 O VAL A 24 1.543 -6.570 0.864 1.00 0.00 O ATOM 333 CB VAL A 24 1.241 -8.233 3.778 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.395 -7.293 4.964 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.615 -9.555 4.201 1.00 0.00 C ATOM 0 H VAL A 24 0.523 -9.437 1.693 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.518 -7.178 3.153 1.00 0.00 H new ATOM 0 HB VAL A 24 2.241 -8.417 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.017 -7.766 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.865 -6.366 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.413 -7.073 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.225 -10.014 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.389 -9.375 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.559 -10.223 3.341 1.00 0.00 H new ATOM 345 N GLU A 25 1.177 -5.341 2.712 1.00 0.00 N ATOM 346 CA GLU A 25 1.789 -4.146 2.212 1.00 0.00 C ATOM 347 C GLU A 25 3.289 -4.233 2.293 1.00 0.00 C ATOM 348 O GLU A 25 3.867 -4.611 3.313 1.00 0.00 O ATOM 349 CB GLU A 25 1.286 -2.924 2.984 1.00 0.00 C ATOM 350 CG GLU A 25 0.572 -1.905 2.110 1.00 0.00 C ATOM 351 CD GLU A 25 1.426 -0.684 1.821 1.00 0.00 C ATOM 352 OE1 GLU A 25 2.634 -0.854 1.553 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.886 0.441 1.864 1.00 0.00 O ATOM 0 H GLU A 25 0.809 -5.251 3.659 1.00 0.00 H new ATOM 0 HA GLU A 25 1.510 -4.038 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.608 -3.255 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.131 -2.441 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.287 -2.375 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.349 -1.592 2.602 1.00 0.00 H new ATOM 360 N ASP A 26 3.896 -3.846 1.206 1.00 0.00 N ATOM 361 CA ASP A 26 5.325 -3.813 1.066 1.00 0.00 C ATOM 362 C ASP A 26 5.981 -5.191 0.985 1.00 0.00 C ATOM 363 O ASP A 26 6.523 -5.690 1.972 1.00 0.00 O ATOM 364 CB ASP A 26 5.959 -2.985 2.177 1.00 0.00 C ATOM 365 CG ASP A 26 6.302 -1.579 1.724 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.387 -0.731 1.675 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.487 -1.326 1.420 1.00 0.00 O ATOM 0 H ASP A 26 3.398 -3.537 0.371 1.00 0.00 H new ATOM 0 HA ASP A 26 5.511 -3.338 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.275 -2.934 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.864 -3.482 2.526 1.00 0.00 H new ATOM 372 N TYR A 27 5.956 -5.788 -0.208 1.00 0.00 N ATOM 373 CA TYR A 27 6.579 -7.089 -0.428 1.00 0.00 C ATOM 374 C TYR A 27 8.068 -7.005 -0.131 1.00 0.00 C ATOM 375 O TYR A 27 8.827 -6.402 -0.890 1.00 0.00 O ATOM 376 CB TYR A 27 6.346 -7.559 -1.878 1.00 0.00 C ATOM 377 CG TYR A 27 7.608 -7.760 -2.696 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.393 -8.894 -2.531 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.011 -6.815 -3.632 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.544 -9.080 -3.274 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.159 -6.994 -4.378 1.00 0.00 C ATOM 382 CZ TYR A 27 9.922 -8.128 -4.196 1.00 0.00 C ATOM 383 OH TYR A 27 11.068 -8.309 -4.937 1.00 0.00 O ATOM 0 H TYR A 27 5.511 -5.389 -1.035 1.00 0.00 H new ATOM 0 HA TYR A 27 6.125 -7.816 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.792 -8.497 -1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.715 -6.828 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.099 -9.643 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.416 -5.926 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.144 -9.967 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.458 -6.249 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 27 11.191 -7.547 -5.541 1.00 0.00 H new ATOM 393 N ARG A 28 8.486 -7.594 0.985 1.00 0.00 N ATOM 394 CA ARG A 28 9.891 -7.564 1.371 1.00 0.00 C ATOM 395 C ARG A 28 10.467 -6.161 1.179 1.00 0.00 C ATOM 396 O ARG A 28 11.617 -5.999 0.771 1.00 0.00 O ATOM 397 CB ARG A 28 10.678 -8.578 0.538 1.00 0.00 C ATOM 398 CG ARG A 28 10.928 -9.892 1.259 1.00 0.00 C ATOM 399 CD ARG A 28 12.016 -9.753 2.312 1.00 0.00 C ATOM 400 NE ARG A 28 11.462 -9.651 3.661 1.00 0.00 N ATOM 401 CZ ARG A 28 12.192 -9.742 4.771 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.503 -9.937 4.696 1.00 0.00 N ATOM 403 NH2 ARG A 28 11.610 -9.637 5.957 1.00 0.00 N ATOM 0 H ARG A 28 7.877 -8.094 1.633 1.00 0.00 H new ATOM 0 HA ARG A 28 9.973 -7.828 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.134 -8.777 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.635 -8.140 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.005 -10.231 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.215 -10.656 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.684 -10.612 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.616 -8.869 2.099 1.00 0.00 H new ATOM 0 HE ARG A 28 10.458 -9.501 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.955 -10.018 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.058 -10.006 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.603 -9.487 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.169 -9.707 6.807 1.00 0.00 H new ATOM 417 N ALA A 29 9.635 -5.156 1.461 1.00 0.00 N ATOM 418 CA ALA A 29 10.010 -3.748 1.315 1.00 0.00 C ATOM 419 C ALA A 29 9.661 -3.242 -0.081 1.00 0.00 C ATOM 420 O ALA A 29 10.387 -2.435 -0.663 1.00 0.00 O ATOM 421 CB ALA A 29 11.491 -3.532 1.608 1.00 0.00 C ATOM 0 H ALA A 29 8.682 -5.296 1.797 1.00 0.00 H new ATOM 0 HA ALA A 29 9.440 -3.175 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.735 -2.476 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.709 -3.843 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.089 -4.122 0.914 1.00 0.00 H new ATOM 427 N GLY A 30 8.541 -3.726 -0.614 1.00 0.00 N ATOM 428 CA GLY A 30 8.106 -3.318 -1.939 1.00 0.00 C ATOM 429 C GLY A 30 6.632 -2.951 -1.985 1.00 0.00 C ATOM 430 O GLY A 30 6.196 -2.019 -1.310 1.00 0.00 O ATOM 0 H GLY A 30 7.926 -4.395 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.699 -2.464 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.297 -4.126 -2.645 1.00 0.00 H new ATOM 434 N ASP A 31 5.868 -3.679 -2.796 1.00 0.00 N ATOM 435 CA ASP A 31 4.437 -3.430 -2.943 1.00 0.00 C ATOM 436 C ASP A 31 3.604 -4.427 -2.131 1.00 0.00 C ATOM 437 O ASP A 31 3.809 -4.568 -0.936 1.00 0.00 O ATOM 438 CB ASP A 31 4.056 -3.425 -4.423 1.00 0.00 C ATOM 439 CG ASP A 31 4.481 -4.683 -5.134 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.889 -5.743 -4.854 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.405 -4.608 -5.971 1.00 0.00 O ATOM 0 H ASP A 31 6.219 -4.450 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 31 4.211 -2.444 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.977 -3.306 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.515 -2.564 -4.910 1.00 0.00 H new ATOM 446 N MET A 32 2.645 -5.096 -2.761 1.00 0.00 N ATOM 447 CA MET A 32 1.779 -6.032 -2.058 1.00 0.00 C ATOM 448 C MET A 32 2.190 -7.492 -2.260 1.00 0.00 C ATOM 449 O MET A 32 2.260 -7.988 -3.379 1.00 0.00 O ATOM 450 CB MET A 32 0.364 -5.825 -2.553 1.00 0.00 C ATOM 451 CG MET A 32 -0.296 -4.571 -2.005 1.00 0.00 C ATOM 452 SD MET A 32 -2.055 -4.797 -1.679 1.00 0.00 S ATOM 453 CE MET A 32 -2.155 -4.258 0.025 1.00 0.00 C ATOM 0 H MET A 32 2.448 -5.007 -3.758 1.00 0.00 H new ATOM 0 HA MET A 32 1.860 -5.834 -0.989 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.373 -5.774 -3.642 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.238 -6.691 -2.279 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.205 -4.275 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.164 -3.755 -2.716 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.185 -4.339 0.372 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.513 -4.885 0.643 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.828 -3.221 0.098 1.00 0.00 H new ATOM 463 N ILE A 33 2.500 -8.161 -1.166 1.00 0.00 N ATOM 464 CA ILE A 33 2.946 -9.546 -1.200 1.00 0.00 C ATOM 465 C ILE A 33 1.891 -10.495 -0.636 1.00 0.00 C ATOM 466 O ILE A 33 1.430 -10.320 0.490 1.00 0.00 O ATOM 467 CB ILE A 33 4.248 -9.643 -0.375 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.197 -10.715 -0.914 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.944 -9.867 1.095 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.914 -12.104 -0.390 1.00 0.00 C ATOM 0 H ILE A 33 2.451 -7.763 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 33 3.118 -9.844 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 33 4.763 -8.687 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.134 -10.728 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.221 -10.442 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.878 -9.932 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.351 -9.035 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.385 -10.795 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.629 -12.807 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.006 -12.109 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.903 -12.399 -0.670 1.00 0.00 H new ATOM 482 N CYS A 34 1.533 -11.519 -1.405 1.00 0.00 N ATOM 483 CA CYS A 34 0.568 -12.501 -0.940 1.00 0.00 C ATOM 484 C CYS A 34 1.308 -13.567 -0.149 1.00 0.00 C ATOM 485 O CYS A 34 1.860 -14.483 -0.736 1.00 0.00 O ATOM 486 CB CYS A 34 -0.152 -13.147 -2.122 1.00 0.00 C ATOM 487 SG CYS A 34 -1.271 -14.484 -1.664 1.00 0.00 S ATOM 0 H CYS A 34 1.894 -11.687 -2.344 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.176 -12.010 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.717 -12.380 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.592 -13.533 -2.819 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.076 -14.734 -2.653 1.00 0.00 H new ATOM 493 N PRO A 35 1.329 -13.470 1.193 1.00 0.00 N ATOM 494 CA PRO A 35 2.025 -14.427 2.059 1.00 0.00 C ATOM 495 C PRO A 35 1.860 -15.882 1.632 1.00 0.00 C ATOM 496 O PRO A 35 2.610 -16.751 2.077 1.00 0.00 O ATOM 497 CB PRO A 35 1.387 -14.198 3.442 1.00 0.00 C ATOM 498 CG PRO A 35 0.305 -13.187 3.231 1.00 0.00 C ATOM 499 CD PRO A 35 0.673 -12.433 1.989 1.00 0.00 C ATOM 0 HA PRO A 35 3.102 -14.262 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.981 -15.126 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.125 -13.837 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.665 -13.672 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.228 -12.515 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.202 -12.023 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.340 -11.597 2.201 1.00 0.00 H new ATOM 507 N GLU A 36 0.877 -16.154 0.793 1.00 0.00 N ATOM 508 CA GLU A 36 0.618 -17.509 0.345 1.00 0.00 C ATOM 509 C GLU A 36 1.442 -17.844 -0.888 1.00 0.00 C ATOM 510 O GLU A 36 2.355 -18.660 -0.828 1.00 0.00 O ATOM 511 CB GLU A 36 -0.871 -17.681 0.064 1.00 0.00 C ATOM 512 CG GLU A 36 -1.643 -18.297 1.219 1.00 0.00 C ATOM 513 CD GLU A 36 -1.273 -19.748 1.459 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.166 -20.155 1.047 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.091 -20.478 2.058 1.00 0.00 O ATOM 0 H GLU A 36 0.244 -15.453 0.408 1.00 0.00 H new ATOM 0 HA GLU A 36 0.912 -18.200 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.302 -16.708 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.995 -18.307 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.453 -17.723 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.712 -18.227 1.015 1.00 0.00 H new ATOM 522 N CYS A 37 1.173 -17.164 -1.992 1.00 0.00 N ATOM 523 CA CYS A 37 1.949 -17.379 -3.208 1.00 0.00 C ATOM 524 C CYS A 37 3.104 -16.407 -3.198 1.00 0.00 C ATOM 525 O CYS A 37 4.102 -16.580 -3.894 1.00 0.00 O ATOM 526 CB CYS A 37 1.105 -17.163 -4.469 1.00 0.00 C ATOM 527 SG CYS A 37 0.138 -15.637 -4.466 1.00 0.00 S ATOM 0 H CYS A 37 0.433 -16.467 -2.074 1.00 0.00 H new ATOM 0 HA CYS A 37 2.300 -18.411 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.764 -17.159 -5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.427 -18.008 -4.587 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.248 -15.370 -3.254 1.00 0.00 H new ATOM 533 N GLY A 38 2.928 -15.375 -2.389 1.00 0.00 N ATOM 534 CA GLY A 38 3.901 -14.336 -2.242 1.00 0.00 C ATOM 535 C GLY A 38 4.050 -13.529 -3.504 1.00 0.00 C ATOM 536 O GLY A 38 5.135 -13.056 -3.839 1.00 0.00 O ATOM 0 H GLY A 38 2.094 -15.245 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.610 -13.679 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.863 -14.774 -1.974 1.00 0.00 H new ATOM 540 N LEU A 39 2.930 -13.362 -4.189 1.00 0.00 N ATOM 541 CA LEU A 39 2.881 -12.595 -5.412 1.00 0.00 C ATOM 542 C LEU A 39 3.047 -11.122 -5.078 1.00 0.00 C ATOM 543 O LEU A 39 2.639 -10.683 -4.004 1.00 0.00 O ATOM 544 CB LEU A 39 1.546 -12.825 -6.097 1.00 0.00 C ATOM 545 CG LEU A 39 0.415 -11.983 -5.526 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.237 -10.761 -6.381 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.872 -12.773 -5.417 1.00 0.00 C ATOM 0 H LEU A 39 2.032 -13.756 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 39 3.682 -12.907 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.650 -12.606 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.281 -13.879 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 39 0.676 -11.679 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.572 -10.151 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.161 -10.182 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.007 -11.062 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.656 -12.137 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.170 -13.121 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.718 -13.630 -4.761 1.00 0.00 H new ATOM 559 N VAL A 40 3.701 -10.383 -5.958 1.00 0.00 N ATOM 560 CA VAL A 40 3.980 -8.992 -5.711 1.00 0.00 C ATOM 561 C VAL A 40 3.236 -8.083 -6.665 1.00 0.00 C ATOM 562 O VAL A 40 3.390 -8.173 -7.881 1.00 0.00 O ATOM 563 CB VAL A 40 5.496 -8.748 -5.828 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.842 -7.286 -5.633 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.245 -9.622 -4.834 1.00 0.00 C ATOM 0 H VAL A 40 4.047 -10.732 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 40 3.637 -8.755 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 40 5.806 -9.021 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.920 -7.152 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.338 -6.688 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.517 -6.964 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.316 -9.441 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.921 -9.381 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.035 -10.671 -5.042 1.00 0.00 H new ATOM 575 N VAL A 41 2.434 -7.192 -6.096 1.00 0.00 N ATOM 576 CA VAL A 41 1.673 -6.249 -6.893 1.00 0.00 C ATOM 577 C VAL A 41 1.767 -4.834 -6.332 1.00 0.00 C ATOM 578 O VAL A 41 1.605 -4.624 -5.131 1.00 0.00 O ATOM 579 CB VAL A 41 0.193 -6.630 -6.985 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.418 -6.125 -8.284 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.058 -8.118 -6.867 1.00 0.00 C ATOM 0 H VAL A 41 2.296 -7.106 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 41 2.115 -6.282 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.351 -6.158 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.470 -6.408 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.333 -5.039 -8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.110 -6.565 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.994 -8.394 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.610 -8.599 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.460 -8.445 -5.908 1.00 0.00 H new ATOM 591 N GLY A 42 2.013 -3.871 -7.214 1.00 0.00 N ATOM 592 CA GLY A 42 2.109 -2.485 -6.801 1.00 0.00 C ATOM 593 C GLY A 42 3.373 -1.824 -7.300 1.00 0.00 C ATOM 594 O GLY A 42 4.253 -2.483 -7.854 1.00 0.00 O ATOM 0 H GLY A 42 2.148 -4.028 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.244 -1.937 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.078 -2.429 -5.713 1.00 0.00 H new ATOM 598 N ASP A 43 3.459 -0.516 -7.111 1.00 0.00 N ATOM 599 CA ASP A 43 4.619 0.239 -7.554 1.00 0.00 C ATOM 600 C ASP A 43 5.528 0.591 -6.380 1.00 0.00 C ATOM 601 O ASP A 43 5.075 1.128 -5.370 1.00 0.00 O ATOM 602 CB ASP A 43 4.170 1.514 -8.266 1.00 0.00 C ATOM 603 CG ASP A 43 5.240 2.076 -9.181 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.347 2.373 -8.684 1.00 0.00 O ATOM 605 OD2 ASP A 43 4.971 2.220 -10.392 1.00 0.00 O ATOM 0 H ASP A 43 2.739 0.044 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 43 5.185 -0.383 -8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.272 1.304 -8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.900 2.265 -7.524 1.00 0.00 H new ATOM 610 N ARG A 44 6.814 0.287 -6.526 1.00 0.00 N ATOM 611 CA ARG A 44 7.791 0.574 -5.481 1.00 0.00 C ATOM 612 C ARG A 44 8.975 1.357 -6.047 1.00 0.00 C ATOM 613 O ARG A 44 9.442 2.318 -5.438 1.00 0.00 O ATOM 614 CB ARG A 44 8.276 -0.727 -4.830 1.00 0.00 C ATOM 615 CG ARG A 44 9.233 -1.532 -5.697 1.00 0.00 C ATOM 616 CD ARG A 44 9.337 -2.975 -5.229 1.00 0.00 C ATOM 617 NE ARG A 44 8.950 -3.917 -6.277 1.00 0.00 N ATOM 618 CZ ARG A 44 9.598 -4.049 -7.432 1.00 0.00 C ATOM 619 NH1 ARG A 44 10.673 -3.312 -7.688 1.00 0.00 N ATOM 620 NH2 ARG A 44 9.172 -4.921 -8.334 1.00 0.00 N ATOM 0 H ARG A 44 7.204 -0.158 -7.357 1.00 0.00 H new ATOM 0 HA ARG A 44 7.307 1.186 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.769 -0.488 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.411 -1.346 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.893 -1.509 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.220 -1.070 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.360 -3.182 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.700 -3.121 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 44 8.135 -4.508 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.007 -2.640 -6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.165 -3.418 -8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.348 -5.491 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.668 -5.023 -9.219 1.00 0.00 H new ATOM 634 N VAL A 45 9.451 0.937 -7.218 1.00 0.00 N ATOM 635 CA VAL A 45 10.577 1.596 -7.870 1.00 0.00 C ATOM 636 C VAL A 45 10.949 0.886 -9.170 1.00 0.00 C ATOM 637 O VAL A 45 11.440 -0.242 -9.154 1.00 0.00 O ATOM 638 CB VAL A 45 11.815 1.648 -6.951 1.00 0.00 C ATOM 639 CG1 VAL A 45 12.275 0.242 -6.587 1.00 0.00 C ATOM 640 CG2 VAL A 45 12.940 2.437 -7.608 1.00 0.00 C ATOM 0 H VAL A 45 9.073 0.142 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 45 10.261 2.615 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 45 11.537 2.160 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.149 0.302 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.472 -0.280 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.533 -0.303 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.804 2.462 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.219 1.960 -8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.604 3.455 -7.804 1.00 0.00 H new ATOM 650 N ILE A 46 10.714 1.555 -10.295 1.00 0.00 N ATOM 651 CA ILE A 46 11.028 0.986 -11.601 1.00 0.00 C ATOM 652 C ILE A 46 12.130 1.778 -12.297 1.00 0.00 C ATOM 653 O ILE A 46 12.210 1.801 -13.525 1.00 0.00 O ATOM 654 CB ILE A 46 9.789 0.947 -12.515 1.00 0.00 C ATOM 655 CG1 ILE A 46 8.569 0.428 -11.748 1.00 0.00 C ATOM 656 CG2 ILE A 46 10.061 0.082 -13.738 1.00 0.00 C ATOM 657 CD1 ILE A 46 7.455 1.444 -11.630 1.00 0.00 C ATOM 0 H ILE A 46 10.308 2.490 -10.328 1.00 0.00 H new ATOM 0 HA ILE A 46 11.371 -0.033 -11.423 1.00 0.00 H new ATOM 0 HB ILE A 46 9.574 1.962 -12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.187 -0.462 -12.248 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.880 0.124 -10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.177 0.064 -14.375 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.901 0.495 -14.296 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.300 -0.933 -13.420 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.623 1.009 -11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.821 2.326 -11.104 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.117 1.730 -12.626 1.00 0.00 H new ATOM 669 N ASP A 47 12.979 2.427 -11.505 1.00 0.00 N ATOM 670 CA ASP A 47 14.076 3.220 -12.048 1.00 0.00 C ATOM 671 C ASP A 47 13.557 4.289 -13.008 1.00 0.00 C ATOM 672 O ASP A 47 14.259 4.703 -13.930 1.00 0.00 O ATOM 673 CB ASP A 47 15.078 2.316 -12.768 1.00 0.00 C ATOM 674 CG ASP A 47 16.509 2.790 -12.602 1.00 0.00 C ATOM 675 OD1 ASP A 47 16.747 4.011 -12.718 1.00 0.00 O ATOM 676 OD2 ASP A 47 17.392 1.941 -12.357 1.00 0.00 O ATOM 0 H ASP A 47 12.928 2.419 -10.486 1.00 0.00 H new ATOM 0 HA ASP A 47 14.576 3.717 -11.217 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.988 1.300 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.832 2.278 -13.829 1.00 0.00 H new ATOM 681 N VAL A 48 12.323 4.730 -12.784 1.00 0.00 N ATOM 682 CA VAL A 48 11.711 5.749 -13.629 1.00 0.00 C ATOM 683 C VAL A 48 12.415 7.092 -13.465 1.00 0.00 C ATOM 684 O VAL A 48 11.913 7.990 -12.786 1.00 0.00 O ATOM 685 CB VAL A 48 10.214 5.921 -13.308 1.00 0.00 C ATOM 686 CG1 VAL A 48 9.551 6.835 -14.328 1.00 0.00 C ATOM 687 CG2 VAL A 48 9.518 4.570 -13.261 1.00 0.00 C ATOM 0 H VAL A 48 11.728 4.398 -12.025 1.00 0.00 H new ATOM 0 HA VAL A 48 11.815 5.411 -14.660 1.00 0.00 H new ATOM 0 HB VAL A 48 10.123 6.384 -12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.494 6.945 -14.085 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.032 7.813 -14.307 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.652 6.403 -15.324 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.462 4.713 -13.033 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.617 4.076 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.976 3.952 -12.489 1.00 0.00 H new ATOM 697 N GLY A 49 13.580 7.224 -14.091 1.00 0.00 N ATOM 698 CA GLY A 49 14.334 8.460 -14.003 1.00 0.00 C ATOM 699 C GLY A 49 15.691 8.360 -14.672 1.00 0.00 C ATOM 700 O GLY A 49 16.679 8.892 -14.168 1.00 0.00 O ATOM 0 H GLY A 49 14.015 6.496 -14.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.762 9.264 -14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.468 8.727 -12.955 1.00 0.00 H new ATOM 704 N SER A 50 15.736 7.677 -15.811 1.00 0.00 N ATOM 705 CA SER A 50 16.981 7.509 -16.552 1.00 0.00 C ATOM 706 C SER A 50 17.085 8.533 -17.677 1.00 0.00 C ATOM 707 O SER A 50 18.177 8.994 -18.010 1.00 0.00 O ATOM 708 CB SER A 50 17.071 6.093 -17.124 1.00 0.00 C ATOM 709 OG SER A 50 18.309 5.886 -17.780 1.00 0.00 O ATOM 0 H SER A 50 14.926 7.231 -16.241 1.00 0.00 H new ATOM 0 HA SER A 50 17.810 7.668 -15.863 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.955 5.365 -16.321 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.253 5.928 -17.825 1.00 0.00 H new ATOM 0 HG SER A 50 18.342 4.973 -18.135 1.00 0.00 H new ATOM 715 N GLU A 51 15.944 8.883 -18.261 1.00 0.00 N ATOM 716 CA GLU A 51 15.908 9.854 -19.349 1.00 0.00 C ATOM 717 C GLU A 51 15.335 11.185 -18.872 1.00 0.00 C ATOM 718 O GLU A 51 14.137 11.301 -18.613 1.00 0.00 O ATOM 719 CB GLU A 51 15.078 9.313 -20.515 1.00 0.00 C ATOM 720 CG GLU A 51 15.911 8.646 -21.597 1.00 0.00 C ATOM 721 CD GLU A 51 15.163 8.507 -22.909 1.00 0.00 C ATOM 722 OE1 GLU A 51 14.144 9.207 -23.088 1.00 0.00 O ATOM 723 OE2 GLU A 51 15.595 7.699 -23.756 1.00 0.00 O ATOM 0 H GLU A 51 15.032 8.509 -17.999 1.00 0.00 H new ATOM 0 HA GLU A 51 16.930 10.022 -19.688 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.353 8.595 -20.132 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.511 10.132 -20.958 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.819 9.227 -21.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.222 7.659 -21.254 1.00 0.00 H new ATOM 730 N TRP A 52 16.201 12.187 -18.759 1.00 0.00 N ATOM 731 CA TRP A 52 15.785 13.513 -18.313 1.00 0.00 C ATOM 732 C TRP A 52 15.164 13.450 -16.917 1.00 0.00 C ATOM 733 O TRP A 52 15.865 13.582 -15.914 1.00 0.00 O ATOM 734 CB TRP A 52 14.798 14.124 -19.311 1.00 0.00 C ATOM 735 CG TRP A 52 15.459 14.693 -20.529 1.00 0.00 C ATOM 736 CD1 TRP A 52 16.620 14.268 -21.107 1.00 0.00 C ATOM 737 CD2 TRP A 52 14.997 15.795 -21.320 1.00 0.00 C ATOM 738 NE1 TRP A 52 16.908 15.036 -22.209 1.00 0.00 N ATOM 739 CE2 TRP A 52 15.926 15.980 -22.360 1.00 0.00 C ATOM 740 CE3 TRP A 52 13.886 16.641 -21.250 1.00 0.00 C ATOM 741 CZ2 TRP A 52 15.779 16.978 -23.321 1.00 0.00 C ATOM 742 CZ3 TRP A 52 13.741 17.630 -22.204 1.00 0.00 C ATOM 743 CH2 TRP A 52 14.683 17.791 -23.229 1.00 0.00 C ATOM 0 H TRP A 52 17.196 12.106 -18.970 1.00 0.00 H new ATOM 0 HA TRP A 52 16.669 14.149 -18.262 1.00 0.00 H new ATOM 0 HB2 TRP A 52 14.083 13.360 -19.618 1.00 0.00 H new ATOM 0 HB3 TRP A 52 14.230 14.911 -18.814 1.00 0.00 H new ATOM 0 HD1 TRP A 52 17.224 13.447 -20.750 1.00 0.00 H new ATOM 0 HE1 TRP A 52 17.720 14.922 -22.816 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.154 16.524 -20.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 16.505 17.105 -24.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.887 18.290 -22.159 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.541 18.572 -23.961 1.00 0.00 H new ATOM 754 N ARG A 53 13.846 13.246 -16.856 1.00 0.00 N ATOM 755 CA ARG A 53 13.135 13.165 -15.580 1.00 0.00 C ATOM 756 C ARG A 53 13.583 14.269 -14.622 1.00 0.00 C ATOM 757 O ARG A 53 14.087 13.993 -13.532 1.00 0.00 O ATOM 758 CB ARG A 53 13.351 11.794 -14.937 1.00 0.00 C ATOM 759 CG ARG A 53 12.147 11.293 -14.156 1.00 0.00 C ATOM 760 CD ARG A 53 12.285 11.587 -12.670 1.00 0.00 C ATOM 761 NE ARG A 53 11.227 10.956 -11.886 1.00 0.00 N ATOM 762 CZ ARG A 53 10.898 11.325 -10.651 1.00 0.00 C ATOM 763 NH1 ARG A 53 11.542 12.322 -10.055 1.00 0.00 N ATOM 764 NH2 ARG A 53 9.922 10.698 -10.008 1.00 0.00 N ATOM 0 H ARG A 53 13.250 13.134 -17.676 1.00 0.00 H new ATOM 0 HA ARG A 53 12.073 13.302 -15.782 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.595 11.071 -15.715 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.211 11.846 -14.269 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.242 11.764 -14.539 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.035 10.219 -14.307 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.255 11.235 -12.319 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.261 12.665 -12.510 1.00 0.00 H new ATOM 0 HE ARG A 53 10.709 10.186 -12.311 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.293 12.809 -10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.286 12.601 -9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.423 9.932 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.671 10.982 -9.061 1.00 0.00 H new ATOM 778 N THR A 54 13.397 15.517 -15.036 1.00 0.00 N ATOM 779 CA THR A 54 13.784 16.660 -14.216 1.00 0.00 C ATOM 780 C THR A 54 12.645 17.077 -13.290 1.00 0.00 C ATOM 781 O THR A 54 11.481 16.773 -13.547 1.00 0.00 O ATOM 782 CB THR A 54 14.194 17.836 -15.103 1.00 0.00 C ATOM 783 OG1 THR A 54 14.576 17.385 -16.390 1.00 0.00 O ATOM 784 CG2 THR A 54 15.344 18.641 -14.537 1.00 0.00 C ATOM 0 H THR A 54 12.981 15.764 -15.934 1.00 0.00 H new ATOM 0 HA THR A 54 14.635 16.364 -13.603 1.00 0.00 H new ATOM 0 HB THR A 54 13.315 18.478 -15.155 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.833 18.152 -16.943 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.584 19.459 -15.216 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.061 19.046 -13.565 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.216 17.998 -14.422 1.00 0.00 H new ATOM 792 N PHE A 55 12.992 17.774 -12.213 1.00 0.00 N ATOM 793 CA PHE A 55 11.999 18.235 -11.248 1.00 0.00 C ATOM 794 C PHE A 55 11.683 19.713 -11.459 1.00 0.00 C ATOM 795 O PHE A 55 11.684 20.501 -10.513 1.00 0.00 O ATOM 796 CB PHE A 55 12.498 18.003 -9.820 1.00 0.00 C ATOM 797 CG PHE A 55 13.878 18.539 -9.568 1.00 0.00 C ATOM 798 CD1 PHE A 55 14.996 17.759 -9.824 1.00 0.00 C ATOM 799 CD2 PHE A 55 14.059 19.822 -9.077 1.00 0.00 C ATOM 800 CE1 PHE A 55 16.268 18.249 -9.592 1.00 0.00 C ATOM 801 CE2 PHE A 55 15.329 20.317 -8.844 1.00 0.00 C ATOM 802 CZ PHE A 55 16.434 19.529 -9.102 1.00 0.00 C ATOM 0 H PHE A 55 13.952 18.032 -11.986 1.00 0.00 H new ATOM 0 HA PHE A 55 11.085 17.662 -11.401 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.803 18.470 -9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.490 16.933 -9.611 1.00 0.00 H new ATOM 0 HD1 PHE A 55 14.872 16.758 -10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.199 20.442 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.131 17.631 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.457 21.319 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 55 17.427 19.914 -8.921 1.00 0.00 H new ATOM 812 N SER A 56 11.411 20.082 -12.707 1.00 0.00 N ATOM 813 CA SER A 56 11.093 21.465 -13.044 1.00 0.00 C ATOM 814 C SER A 56 12.280 22.380 -12.765 1.00 0.00 C ATOM 815 O SER A 56 13.285 21.954 -12.196 1.00 0.00 O ATOM 816 CB SER A 56 9.871 21.939 -12.254 1.00 0.00 C ATOM 817 OG SER A 56 8.857 20.949 -12.241 1.00 0.00 O ATOM 0 H SER A 56 11.404 19.442 -13.502 1.00 0.00 H new ATOM 0 HA SER A 56 10.866 21.509 -14.109 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.165 22.177 -11.232 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.482 22.857 -12.695 1.00 0.00 H new ATOM 0 HG SER A 56 8.088 21.275 -11.729 1.00 0.00 H new ATOM 823 N ASN A 57 12.157 23.641 -13.167 1.00 0.00 N ATOM 824 CA ASN A 57 13.221 24.617 -12.960 1.00 0.00 C ATOM 825 C ASN A 57 13.523 24.786 -11.475 1.00 0.00 C ATOM 826 O ASN A 57 12.615 24.947 -10.660 1.00 0.00 O ATOM 827 CB ASN A 57 12.830 25.965 -13.569 1.00 0.00 C ATOM 828 CG ASN A 57 12.728 25.909 -15.080 1.00 0.00 C ATOM 829 OD1 ASN A 57 13.277 25.011 -15.718 1.00 0.00 O ATOM 830 ND2 ASN A 57 12.022 26.872 -15.662 1.00 0.00 N ATOM 0 H ASN A 57 11.331 24.011 -13.638 1.00 0.00 H new ATOM 0 HA ASN A 57 14.119 24.249 -13.455 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.874 26.284 -13.155 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.567 26.716 -13.285 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.918 26.886 -16.677 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.584 27.597 -15.094 1.00 0.00 H new ATOM 837 N ASP A 58 14.806 24.745 -11.130 1.00 0.00 N ATOM 838 CA ASP A 58 15.230 24.892 -9.742 1.00 0.00 C ATOM 839 C ASP A 58 15.129 26.347 -9.294 1.00 0.00 C ATOM 840 O ASP A 58 14.486 26.654 -8.290 1.00 0.00 O ATOM 841 CB ASP A 58 16.665 24.392 -9.569 1.00 0.00 C ATOM 842 CG ASP A 58 17.002 24.088 -8.123 1.00 0.00 C ATOM 843 OD1 ASP A 58 17.216 25.046 -7.350 1.00 0.00 O ATOM 844 OD2 ASP A 58 17.050 22.894 -7.762 1.00 0.00 O ATOM 0 H ASP A 58 15.570 24.611 -11.792 1.00 0.00 H new ATOM 0 HA ASP A 58 14.566 24.292 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.808 23.493 -10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.357 25.143 -9.950 1.00 0.00 H new ATOM 849 N LYS A 59 15.765 27.238 -10.046 1.00 0.00 N ATOM 850 CA LYS A 59 15.747 28.661 -9.726 1.00 0.00 C ATOM 851 C LYS A 59 14.321 29.204 -9.745 1.00 0.00 C ATOM 852 O LYS A 59 13.391 28.411 -10.001 1.00 0.00 O ATOM 853 CB LYS A 59 16.620 29.439 -10.714 1.00 0.00 C ATOM 854 CG LYS A 59 17.741 30.222 -10.049 1.00 0.00 C ATOM 855 CD LYS A 59 19.068 29.484 -10.142 1.00 0.00 C ATOM 856 CE LYS A 59 19.339 28.667 -8.890 1.00 0.00 C ATOM 857 NZ LYS A 59 18.932 27.243 -9.056 1.00 0.00 N ATOM 0 H LYS A 59 16.300 27.000 -10.882 1.00 0.00 H new ATOM 0 HA LYS A 59 16.150 28.789 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.051 28.742 -11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.991 30.128 -11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.833 31.200 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.493 30.396 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.060 28.827 -11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.875 30.201 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.401 28.715 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.800 29.103 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.631 26.626 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.999 27.096 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.882 27.012 -10.069 1.00 0.00 H new TER 871 LYS A 59