USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.00583 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 13:sc= 0.069 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0671 K(o=-0.067,f=-0.71) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -8.01! C(o=-8!,f=-8.3!) USER MOD Single : A 21 SER OG : rot -51:sc= 0.149 USER MOD Single : A 22 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 78:sc= 0.94 USER MOD Single : A 41 THR OG1 : rot -99:sc= 1.12 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -59:sc= 0.135 USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0817) USER MOD Single : A 62 SER OG : rot 65:sc= 1.46 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -61:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.896 15.384 18.535 1.00 0.00 N ATOM 2 CA GLY A 1 29.245 14.421 17.508 1.00 0.00 C ATOM 3 C GLY A 1 28.026 13.779 16.878 1.00 0.00 C ATOM 4 O GLY A 1 27.063 13.447 17.569 1.00 0.00 O ATOM 0 H1 GLY A 1 29.578 15.319 19.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.920 16.343 18.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.940 15.181 18.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.832 14.916 16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.877 13.646 17.941 1.00 0.00 H new ATOM 8 N SER A 2 28.066 13.605 15.560 1.00 0.00 N ATOM 9 CA SER A 2 26.953 13.003 14.835 1.00 0.00 C ATOM 10 C SER A 2 27.451 12.244 13.608 1.00 0.00 C ATOM 11 O SER A 2 28.532 12.522 13.090 1.00 0.00 O ATOM 12 CB SER A 2 25.951 14.077 14.412 1.00 0.00 C ATOM 13 OG SER A 2 26.551 15.019 13.540 1.00 0.00 O ATOM 0 H SER A 2 28.857 13.872 14.973 1.00 0.00 H new ATOM 0 HA SER A 2 26.457 12.297 15.501 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.099 13.610 13.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.566 14.588 15.295 1.00 0.00 H new ATOM 0 HG SER A 2 25.889 15.694 13.283 1.00 0.00 H new ATOM 19 N SER A 3 26.653 11.285 13.149 1.00 0.00 N ATOM 20 CA SER A 3 27.013 10.483 11.985 1.00 0.00 C ATOM 21 C SER A 3 25.883 10.475 10.960 1.00 0.00 C ATOM 22 O SER A 3 24.733 10.768 11.286 1.00 0.00 O ATOM 23 CB SER A 3 27.344 9.051 12.408 1.00 0.00 C ATOM 24 OG SER A 3 28.055 8.369 11.391 1.00 0.00 O ATOM 0 H SER A 3 25.753 11.044 13.565 1.00 0.00 H new ATOM 0 HA SER A 3 27.894 10.931 11.525 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.937 9.067 13.322 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.423 8.514 12.635 1.00 0.00 H new ATOM 0 HG SER A 3 28.256 7.457 11.688 1.00 0.00 H new ATOM 30 N GLY A 4 26.221 10.139 9.719 1.00 0.00 N ATOM 31 CA GLY A 4 25.225 10.099 8.664 1.00 0.00 C ATOM 32 C GLY A 4 25.225 8.780 7.917 1.00 0.00 C ATOM 33 O GLY A 4 26.279 8.285 7.519 1.00 0.00 O ATOM 0 H GLY A 4 27.167 9.894 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.238 10.270 9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.412 10.911 7.961 1.00 0.00 H new ATOM 37 N SER A 5 24.040 8.210 7.727 1.00 0.00 N ATOM 38 CA SER A 5 23.907 6.938 7.026 1.00 0.00 C ATOM 39 C SER A 5 22.634 6.909 6.187 1.00 0.00 C ATOM 40 O SER A 5 21.714 7.698 6.407 1.00 0.00 O ATOM 41 CB SER A 5 23.898 5.780 8.027 1.00 0.00 C ATOM 42 OG SER A 5 25.212 5.461 8.451 1.00 0.00 O ATOM 0 H SER A 5 23.158 8.609 8.049 1.00 0.00 H new ATOM 0 HA SER A 5 24.762 6.828 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.289 6.047 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.437 4.904 7.570 1.00 0.00 H new ATOM 0 HG SER A 5 25.825 6.177 8.182 1.00 0.00 H new ATOM 48 N SER A 6 22.588 5.996 5.222 1.00 0.00 N ATOM 49 CA SER A 6 21.430 5.866 4.346 1.00 0.00 C ATOM 50 C SER A 6 20.283 5.161 5.062 1.00 0.00 C ATOM 51 O SER A 6 20.503 4.302 5.916 1.00 0.00 O ATOM 52 CB SER A 6 21.806 5.095 3.079 1.00 0.00 C ATOM 53 OG SER A 6 21.950 3.711 3.348 1.00 0.00 O ATOM 0 H SER A 6 23.340 5.335 5.027 1.00 0.00 H new ATOM 0 HA SER A 6 21.101 6.868 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.039 5.243 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.738 5.489 2.673 1.00 0.00 H new ATOM 0 HG SER A 6 22.189 3.240 2.522 1.00 0.00 H new ATOM 59 N GLY A 7 19.055 5.530 4.708 1.00 0.00 N ATOM 60 CA GLY A 7 17.890 4.924 5.327 1.00 0.00 C ATOM 61 C GLY A 7 16.980 4.255 4.316 1.00 0.00 C ATOM 62 O GLY A 7 16.783 4.747 3.204 1.00 0.00 O ATOM 0 H GLY A 7 18.846 6.238 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.214 4.188 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.330 5.688 5.866 1.00 0.00 H new ATOM 66 N PRO A 8 16.407 3.105 4.700 1.00 0.00 N ATOM 67 CA PRO A 8 15.504 2.342 3.833 1.00 0.00 C ATOM 68 C PRO A 8 14.170 3.049 3.620 1.00 0.00 C ATOM 69 O PRO A 8 13.363 3.161 4.543 1.00 0.00 O ATOM 70 CB PRO A 8 15.300 1.032 4.599 1.00 0.00 C ATOM 71 CG PRO A 8 15.545 1.386 6.025 1.00 0.00 C ATOM 72 CD PRO A 8 16.596 2.461 6.011 1.00 0.00 C ATOM 0 HA PRO A 8 15.916 2.207 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.292 0.642 4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.992 0.262 4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.631 1.740 6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.883 0.517 6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.459 3.168 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 8 17.598 2.045 6.114 1.00 0.00 H new ATOM 80 N GLN A 9 13.945 3.524 2.400 1.00 0.00 N ATOM 81 CA GLN A 9 12.708 4.220 2.068 1.00 0.00 C ATOM 82 C GLN A 9 11.676 3.254 1.496 1.00 0.00 C ATOM 83 O GLN A 9 11.967 2.497 0.569 1.00 0.00 O ATOM 84 CB GLN A 9 12.984 5.342 1.065 1.00 0.00 C ATOM 85 CG GLN A 9 13.510 6.616 1.706 1.00 0.00 C ATOM 86 CD GLN A 9 12.399 7.533 2.179 1.00 0.00 C ATOM 87 OE1 GLN A 9 11.392 7.712 1.493 1.00 0.00 O ATOM 88 NE2 GLN A 9 12.577 8.122 3.356 1.00 0.00 N ATOM 0 H GLN A 9 14.603 3.440 1.625 1.00 0.00 H new ATOM 0 HA GLN A 9 12.306 4.651 2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.707 4.990 0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.065 5.570 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 9 14.147 6.357 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 9 14.134 7.148 0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.427 7.945 3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.864 8.751 3.725 1.00 0.00 H new ATOM 97 N ILE A 10 10.471 3.285 2.055 1.00 0.00 N ATOM 98 CA ILE A 10 9.396 2.412 1.600 1.00 0.00 C ATOM 99 C ILE A 10 8.845 2.873 0.255 1.00 0.00 C ATOM 100 O ILE A 10 9.216 3.933 -0.248 1.00 0.00 O ATOM 101 CB ILE A 10 8.244 2.357 2.621 1.00 0.00 C ATOM 102 CG1 ILE A 10 7.299 3.544 2.422 1.00 0.00 C ATOM 103 CG2 ILE A 10 8.796 2.345 4.040 1.00 0.00 C ATOM 104 CD1 ILE A 10 7.937 4.882 2.727 1.00 0.00 C ATOM 0 H ILE A 10 10.215 3.905 2.823 1.00 0.00 H new ATOM 0 HA ILE A 10 9.824 1.415 1.493 1.00 0.00 H new ATOM 0 HB ILE A 10 7.680 1.438 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.944 3.546 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.425 3.413 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.971 2.306 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.433 1.471 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.380 3.249 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.210 5.677 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.267 4.899 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.794 5.034 2.071 1.00 0.00 H new ATOM 116 N ASP A 11 7.957 2.070 -0.322 1.00 0.00 N ATOM 117 CA ASP A 11 7.353 2.396 -1.607 1.00 0.00 C ATOM 118 C ASP A 11 6.172 3.345 -1.427 1.00 0.00 C ATOM 119 O ASP A 11 6.160 4.448 -1.973 1.00 0.00 O ATOM 120 CB ASP A 11 6.895 1.122 -2.318 1.00 0.00 C ATOM 121 CG ASP A 11 6.027 0.247 -1.435 1.00 0.00 C ATOM 122 OD1 ASP A 11 6.452 -0.058 -0.301 1.00 0.00 O ATOM 123 OD2 ASP A 11 4.924 -0.135 -1.879 1.00 0.00 O ATOM 0 H ASP A 11 7.640 1.188 0.081 1.00 0.00 H new ATOM 0 HA ASP A 11 8.106 2.893 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.340 1.390 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.768 0.555 -2.640 1.00 0.00 H new ATOM 128 N SER A 12 5.180 2.908 -0.658 1.00 0.00 N ATOM 129 CA SER A 12 3.992 3.716 -0.410 1.00 0.00 C ATOM 130 C SER A 12 3.546 3.594 1.045 1.00 0.00 C ATOM 131 O SER A 12 3.449 2.493 1.586 1.00 0.00 O ATOM 132 CB SER A 12 2.855 3.289 -1.341 1.00 0.00 C ATOM 133 OG SER A 12 1.957 4.361 -1.574 1.00 0.00 O ATOM 0 H SER A 12 5.175 1.999 -0.196 1.00 0.00 H new ATOM 0 HA SER A 12 4.243 4.758 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.267 2.943 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.317 2.449 -0.902 1.00 0.00 H new ATOM 0 HG SER A 12 1.241 4.063 -2.173 1.00 0.00 H new ATOM 139 N SER A 13 3.277 4.735 1.672 1.00 0.00 N ATOM 140 CA SER A 13 2.845 4.758 3.064 1.00 0.00 C ATOM 141 C SER A 13 1.329 4.903 3.161 1.00 0.00 C ATOM 142 O SER A 13 0.732 5.752 2.498 1.00 0.00 O ATOM 143 CB SER A 13 3.527 5.905 3.813 1.00 0.00 C ATOM 144 OG SER A 13 3.187 7.158 3.246 1.00 0.00 O ATOM 0 H SER A 13 3.351 5.655 1.238 1.00 0.00 H new ATOM 0 HA SER A 13 3.132 3.812 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.232 5.885 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.608 5.770 3.784 1.00 0.00 H new ATOM 0 HG SER A 13 3.634 7.874 3.744 1.00 0.00 H new ATOM 150 N ARG A 14 0.713 4.069 3.992 1.00 0.00 N ATOM 151 CA ARG A 14 -0.733 4.102 4.175 1.00 0.00 C ATOM 152 C ARG A 14 -1.108 3.750 5.612 1.00 0.00 C ATOM 153 O ARG A 14 -0.526 2.845 6.211 1.00 0.00 O ATOM 154 CB ARG A 14 -1.414 3.133 3.207 1.00 0.00 C ATOM 155 CG ARG A 14 -1.578 3.689 1.803 1.00 0.00 C ATOM 156 CD ARG A 14 -2.754 3.047 1.083 1.00 0.00 C ATOM 157 NE ARG A 14 -3.137 3.792 -0.113 1.00 0.00 N ATOM 158 CZ ARG A 14 -2.577 3.610 -1.304 1.00 0.00 C ATOM 159 NH1 ARG A 14 -1.614 2.712 -1.456 1.00 0.00 N ATOM 160 NH2 ARG A 14 -2.981 4.327 -2.345 1.00 0.00 N ATOM 0 H ARG A 14 1.193 3.362 4.549 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.077 5.115 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.832 2.213 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.395 2.869 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.725 4.768 1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.664 3.518 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.495 2.025 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.605 2.988 1.761 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.875 4.491 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.302 2.159 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.185 2.574 -2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.722 5.019 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.550 4.187 -3.259 1.00 0.00 H new ATOM 174 N ILE A 15 -2.080 4.471 6.159 1.00 0.00 N ATOM 175 CA ILE A 15 -2.531 4.234 7.524 1.00 0.00 C ATOM 176 C ILE A 15 -3.475 3.038 7.592 1.00 0.00 C ATOM 177 O ILE A 15 -4.245 2.789 6.663 1.00 0.00 O ATOM 178 CB ILE A 15 -3.243 5.470 8.104 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.293 6.669 8.130 1.00 0.00 C ATOM 180 CG2 ILE A 15 -3.768 5.172 9.500 1.00 0.00 C ATOM 181 CD1 ILE A 15 -2.223 7.413 6.815 1.00 0.00 C ATOM 0 H ILE A 15 -2.571 5.225 5.678 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.641 4.025 8.118 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.090 5.717 7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.612 7.358 8.912 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.294 6.325 8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.269 6.055 9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.475 4.344 9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.937 4.903 10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.531 8.250 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.874 6.738 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.213 7.788 6.556 1.00 0.00 H new ATOM 193 N ARG A 16 -3.413 2.303 8.697 1.00 0.00 N ATOM 194 CA ARG A 16 -4.262 1.134 8.885 1.00 0.00 C ATOM 195 C ARG A 16 -4.613 0.950 10.359 1.00 0.00 C ATOM 196 O ARG A 16 -3.769 1.129 11.236 1.00 0.00 O ATOM 197 CB ARG A 16 -3.566 -0.121 8.356 1.00 0.00 C ATOM 198 CG ARG A 16 -3.707 -0.307 6.854 1.00 0.00 C ATOM 199 CD ARG A 16 -2.553 0.335 6.101 1.00 0.00 C ATOM 200 NE ARG A 16 -1.353 -0.497 6.124 1.00 0.00 N ATOM 201 CZ ARG A 16 -1.107 -1.456 5.238 1.00 0.00 C ATOM 202 NH1 ARG A 16 -1.973 -1.700 4.264 1.00 0.00 N ATOM 203 NH2 ARG A 16 0.007 -2.170 5.324 1.00 0.00 N ATOM 0 H ARG A 16 -2.783 2.497 9.476 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.184 1.292 8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.507 -0.074 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.976 -0.995 8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.748 -1.371 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.648 0.129 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.850 0.514 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.329 1.307 6.541 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.666 -0.333 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.830 -1.151 4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.782 -2.437 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.676 -1.983 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.195 -2.906 4.643 1.00 0.00 H new ATOM 217 N SER A 17 -5.866 0.592 10.623 1.00 0.00 N ATOM 218 CA SER A 17 -6.330 0.387 11.991 1.00 0.00 C ATOM 219 C SER A 17 -7.390 -0.709 12.046 1.00 0.00 C ATOM 220 O SER A 17 -7.840 -1.206 11.013 1.00 0.00 O ATOM 221 CB SER A 17 -6.897 1.690 12.559 1.00 0.00 C ATOM 222 OG SER A 17 -5.896 2.689 12.640 1.00 0.00 O ATOM 0 H SER A 17 -6.577 0.438 9.909 1.00 0.00 H new ATOM 0 HA SER A 17 -5.478 0.075 12.596 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.714 2.040 11.928 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.314 1.508 13.549 1.00 0.00 H new ATOM 0 HG SER A 17 -6.284 3.512 13.004 1.00 0.00 H new ATOM 228 N HIS A 18 -7.784 -1.081 13.260 1.00 0.00 N ATOM 229 CA HIS A 18 -8.792 -2.119 13.452 1.00 0.00 C ATOM 230 C HIS A 18 -8.270 -3.475 12.986 1.00 0.00 C ATOM 231 O HIS A 18 -8.951 -4.194 12.254 1.00 0.00 O ATOM 232 CB HIS A 18 -10.071 -1.763 12.693 1.00 0.00 C ATOM 233 CG HIS A 18 -10.801 -0.588 13.267 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.025 -0.693 13.892 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.470 0.724 13.311 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.417 0.503 14.293 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.491 1.381 13.952 1.00 0.00 N ATOM 0 H HIS A 18 -7.421 -0.680 14.125 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.016 -2.182 14.517 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.820 -1.552 11.654 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.735 -2.627 12.691 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.547 -1.559 14.024 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.570 1.171 12.915 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.338 0.725 14.811 1.00 0.00 H new ATOM 245 N ILE A 19 -7.060 -3.817 13.414 1.00 0.00 N ATOM 246 CA ILE A 19 -6.449 -5.086 13.041 1.00 0.00 C ATOM 247 C ILE A 19 -7.345 -6.261 13.420 1.00 0.00 C ATOM 248 O ILE A 19 -7.564 -6.532 14.601 1.00 0.00 O ATOM 249 CB ILE A 19 -5.074 -5.267 13.711 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.358 -3.920 13.829 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.228 -6.256 12.923 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.607 -3.217 15.144 1.00 0.00 C ATOM 0 H ILE A 19 -6.483 -3.233 14.019 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.318 -5.067 11.959 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.224 -5.665 14.714 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.286 -4.076 13.707 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.681 -3.273 13.013 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.259 -6.374 13.408 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.735 -7.220 12.886 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.083 -5.884 11.909 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.069 -2.269 15.158 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.674 -3.030 15.260 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.258 -3.844 15.964 1.00 0.00 H new ATOM 264 N CYS A 20 -7.861 -6.954 12.411 1.00 0.00 N ATOM 265 CA CYS A 20 -8.732 -8.101 12.637 1.00 0.00 C ATOM 266 C CYS A 20 -8.325 -8.852 13.902 1.00 0.00 C ATOM 267 O CYS A 20 -9.172 -9.383 14.620 1.00 0.00 O ATOM 268 CB CYS A 20 -8.689 -9.045 11.434 1.00 0.00 C ATOM 269 SG CYS A 20 -10.071 -10.231 11.371 1.00 0.00 S ATOM 0 H CYS A 20 -7.691 -6.741 11.428 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.750 -7.733 12.766 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.691 -8.452 10.520 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.750 -9.598 11.453 1.00 0.00 H new ATOM 274 N SER A 21 -7.023 -8.892 14.167 1.00 0.00 N ATOM 275 CA SER A 21 -6.504 -9.581 15.342 1.00 0.00 C ATOM 276 C SER A 21 -6.996 -11.025 15.388 1.00 0.00 C ATOM 277 O SER A 21 -7.199 -11.590 16.463 1.00 0.00 O ATOM 278 CB SER A 21 -6.923 -8.847 16.617 1.00 0.00 C ATOM 279 OG SER A 21 -6.125 -9.242 17.720 1.00 0.00 O ATOM 0 H SER A 21 -6.309 -8.456 13.584 1.00 0.00 H new ATOM 0 HA SER A 21 -5.416 -9.588 15.276 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.834 -7.771 16.467 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.972 -9.053 16.831 1.00 0.00 H new ATOM 0 HG SER A 21 -6.117 -10.220 17.784 1.00 0.00 H new ATOM 285 N HIS A 22 -7.186 -11.616 14.212 1.00 0.00 N ATOM 286 CA HIS A 22 -7.654 -12.994 14.116 1.00 0.00 C ATOM 287 C HIS A 22 -6.496 -13.942 13.819 1.00 0.00 C ATOM 288 O HIS A 22 -5.589 -13.630 13.046 1.00 0.00 O ATOM 289 CB HIS A 22 -8.721 -13.119 13.029 1.00 0.00 C ATOM 290 CG HIS A 22 -9.764 -14.151 13.329 1.00 0.00 C ATOM 291 ND1 HIS A 22 -10.586 -14.091 14.434 1.00 0.00 N ATOM 292 CD2 HIS A 22 -10.118 -15.273 12.659 1.00 0.00 C ATOM 293 CE1 HIS A 22 -11.399 -15.133 14.431 1.00 0.00 C ATOM 294 NE2 HIS A 22 -11.135 -15.864 13.365 1.00 0.00 N ATOM 0 H HIS A 22 -7.023 -11.162 13.313 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.090 -13.270 15.076 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.206 -12.152 12.895 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.238 -13.367 12.084 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.681 -15.635 11.740 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.152 -15.349 15.175 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.610 -16.729 13.107 1.00 0.00 H new ATOM 302 N PRO A 23 -6.524 -15.127 14.447 1.00 0.00 N ATOM 303 CA PRO A 23 -5.483 -16.143 14.265 1.00 0.00 C ATOM 304 C PRO A 23 -5.520 -16.769 12.874 1.00 0.00 C ATOM 305 O PRO A 23 -6.431 -17.530 12.549 1.00 0.00 O ATOM 306 CB PRO A 23 -5.820 -17.190 15.330 1.00 0.00 C ATOM 307 CG PRO A 23 -7.281 -17.029 15.571 1.00 0.00 C ATOM 308 CD PRO A 23 -7.573 -15.566 15.382 1.00 0.00 C ATOM 0 HA PRO A 23 -4.482 -15.722 14.361 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.584 -18.196 14.984 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.248 -17.025 16.243 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.860 -17.636 14.875 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.549 -17.354 16.576 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.570 -15.405 14.972 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.524 -15.021 16.325 1.00 0.00 H new ATOM 316 N GLY A 24 -4.523 -16.442 12.057 1.00 0.00 N ATOM 317 CA GLY A 24 -4.461 -16.981 10.711 1.00 0.00 C ATOM 318 C GLY A 24 -4.711 -15.926 9.652 1.00 0.00 C ATOM 319 O GLY A 24 -3.959 -15.818 8.683 1.00 0.00 O ATOM 0 H GLY A 24 -3.758 -15.814 12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.481 -17.430 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.198 -17.777 10.607 1.00 0.00 H new ATOM 323 N CYS A 25 -5.772 -15.147 9.834 1.00 0.00 N ATOM 324 CA CYS A 25 -6.122 -14.097 8.886 1.00 0.00 C ATOM 325 C CYS A 25 -5.135 -12.936 8.973 1.00 0.00 C ATOM 326 O CYS A 25 -4.416 -12.646 8.017 1.00 0.00 O ATOM 327 CB CYS A 25 -7.542 -13.593 9.152 1.00 0.00 C ATOM 328 SG CYS A 25 -7.803 -11.842 8.721 1.00 0.00 S ATOM 0 H CYS A 25 -6.405 -15.224 10.630 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.075 -14.518 7.882 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.245 -14.204 8.586 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.775 -13.735 10.207 1.00 0.00 H new ATOM 333 N GLY A 26 -5.106 -12.274 10.125 1.00 0.00 N ATOM 334 CA GLY A 26 -4.204 -11.153 10.316 1.00 0.00 C ATOM 335 C GLY A 26 -4.363 -10.093 9.244 1.00 0.00 C ATOM 336 O GLY A 26 -3.828 -10.227 8.143 1.00 0.00 O ATOM 0 H GLY A 26 -5.692 -12.494 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.386 -10.707 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.175 -11.514 10.316 1.00 0.00 H new ATOM 340 N LYS A 27 -5.102 -9.036 9.563 1.00 0.00 N ATOM 341 CA LYS A 27 -5.332 -7.948 8.620 1.00 0.00 C ATOM 342 C LYS A 27 -5.725 -6.668 9.351 1.00 0.00 C ATOM 343 O LYS A 27 -6.158 -6.707 10.502 1.00 0.00 O ATOM 344 CB LYS A 27 -6.423 -8.335 7.620 1.00 0.00 C ATOM 345 CG LYS A 27 -6.247 -7.700 6.251 1.00 0.00 C ATOM 346 CD LYS A 27 -5.361 -8.547 5.354 1.00 0.00 C ATOM 347 CE LYS A 27 -6.177 -9.552 4.554 1.00 0.00 C ATOM 348 NZ LYS A 27 -5.502 -9.926 3.280 1.00 0.00 N ATOM 0 H LYS A 27 -5.553 -8.910 10.469 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.403 -7.765 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.435 -9.419 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.393 -8.045 8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.222 -7.569 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.811 -6.707 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.808 -7.901 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.625 -9.075 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.341 -10.447 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.158 -9.131 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.089 -10.612 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.368 -9.076 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.576 -10.351 3.489 1.00 0.00 H new ATOM 362 N THR A 28 -5.573 -5.534 8.673 1.00 0.00 N ATOM 363 CA THR A 28 -5.913 -4.244 9.258 1.00 0.00 C ATOM 364 C THR A 28 -6.712 -3.391 8.279 1.00 0.00 C ATOM 365 O THR A 28 -6.730 -3.659 7.077 1.00 0.00 O ATOM 366 CB THR A 28 -4.651 -3.471 9.684 1.00 0.00 C ATOM 367 OG1 THR A 28 -3.666 -4.379 10.187 1.00 0.00 O ATOM 368 CG2 THR A 28 -4.985 -2.436 10.748 1.00 0.00 C ATOM 0 H THR A 28 -5.217 -5.484 7.719 1.00 0.00 H new ATOM 0 HA THR A 28 -6.521 -4.446 10.140 1.00 0.00 H new ATOM 0 HB THR A 28 -4.255 -2.955 8.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.866 -3.879 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.079 -1.902 11.034 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.713 -1.728 10.351 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.403 -2.935 11.622 1.00 0.00 H new ATOM 376 N TYR A 29 -7.370 -2.361 8.800 1.00 0.00 N ATOM 377 CA TYR A 29 -8.173 -1.469 7.972 1.00 0.00 C ATOM 378 C TYR A 29 -8.365 -0.118 8.654 1.00 0.00 C ATOM 379 O TYR A 29 -9.184 0.022 9.562 1.00 0.00 O ATOM 380 CB TYR A 29 -9.534 -2.101 7.675 1.00 0.00 C ATOM 381 CG TYR A 29 -9.458 -3.300 6.757 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.321 -3.141 5.384 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.523 -4.593 7.263 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.252 -4.234 4.542 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.452 -5.691 6.429 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.318 -5.506 5.069 1.00 0.00 C ATOM 387 OH TYR A 29 -9.248 -6.597 4.233 1.00 0.00 O ATOM 0 H TYR A 29 -7.363 -2.123 9.792 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.642 -1.310 7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.998 -2.402 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.183 -1.350 7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.268 -2.146 4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.631 -4.741 8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.147 -4.093 3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.501 -6.689 6.839 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.705 -6.374 3.448 1.00 0.00 H new ATOM 397 N PHE A 30 -7.603 0.876 8.207 1.00 0.00 N ATOM 398 CA PHE A 30 -7.688 2.217 8.774 1.00 0.00 C ATOM 399 C PHE A 30 -9.131 2.570 9.125 1.00 0.00 C ATOM 400 O PHE A 30 -9.411 3.074 10.212 1.00 0.00 O ATOM 401 CB PHE A 30 -7.125 3.245 7.790 1.00 0.00 C ATOM 402 CG PHE A 30 -7.504 2.978 6.361 1.00 0.00 C ATOM 403 CD1 PHE A 30 -6.814 2.039 5.612 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.549 3.667 5.768 1.00 0.00 C ATOM 405 CE1 PHE A 30 -7.160 1.790 4.297 1.00 0.00 C ATOM 406 CE2 PHE A 30 -8.901 3.422 4.453 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.204 2.483 3.717 1.00 0.00 C ATOM 0 H PHE A 30 -6.921 0.778 7.455 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.096 2.236 9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.478 4.237 8.072 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.038 3.258 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.996 1.495 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.095 4.404 6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.615 1.055 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.719 3.964 4.002 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.475 2.291 2.689 1.00 0.00 H new ATOM 417 N LYS A 31 -10.041 2.300 8.196 1.00 0.00 N ATOM 418 CA LYS A 31 -11.456 2.587 8.406 1.00 0.00 C ATOM 419 C LYS A 31 -12.049 1.658 9.460 1.00 0.00 C ATOM 420 O LYS A 31 -11.915 0.437 9.371 1.00 0.00 O ATOM 421 CB LYS A 31 -12.227 2.443 7.092 1.00 0.00 C ATOM 422 CG LYS A 31 -13.435 3.358 6.991 1.00 0.00 C ATOM 423 CD LYS A 31 -13.022 4.808 6.807 1.00 0.00 C ATOM 424 CE LYS A 31 -12.536 5.073 5.390 1.00 0.00 C ATOM 425 NZ LYS A 31 -11.566 6.202 5.339 1.00 0.00 N ATOM 0 H LYS A 31 -9.825 1.883 7.291 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.544 3.614 8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.553 2.652 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.555 1.409 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.059 3.047 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.041 3.263 7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.867 5.459 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.232 5.055 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.067 4.173 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.389 5.298 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.258 6.351 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.021 7.067 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.740 5.977 5.930 1.00 0.00 H new ATOM 439 N SER A 32 -12.706 2.244 10.456 1.00 0.00 N ATOM 440 CA SER A 32 -13.318 1.468 11.529 1.00 0.00 C ATOM 441 C SER A 32 -14.401 0.545 10.980 1.00 0.00 C ATOM 442 O SER A 32 -14.509 -0.613 11.386 1.00 0.00 O ATOM 443 CB SER A 32 -13.912 2.401 12.586 1.00 0.00 C ATOM 444 OG SER A 32 -14.781 3.351 11.997 1.00 0.00 O ATOM 0 H SER A 32 -12.828 3.253 10.542 1.00 0.00 H new ATOM 0 HA SER A 32 -12.543 0.856 11.991 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.456 1.816 13.327 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.109 2.916 13.113 1.00 0.00 H new ATOM 0 HG SER A 32 -15.149 3.934 12.694 1.00 0.00 H new ATOM 450 N SER A 33 -15.204 1.066 10.058 1.00 0.00 N ATOM 451 CA SER A 33 -16.283 0.292 9.456 1.00 0.00 C ATOM 452 C SER A 33 -15.727 -0.877 8.647 1.00 0.00 C ATOM 453 O SER A 33 -16.208 -2.005 8.753 1.00 0.00 O ATOM 454 CB SER A 33 -17.141 1.185 8.560 1.00 0.00 C ATOM 455 OG SER A 33 -18.457 0.672 8.440 1.00 0.00 O ATOM 0 H SER A 33 -15.127 2.022 9.711 1.00 0.00 H new ATOM 0 HA SER A 33 -16.903 -0.107 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.176 2.193 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.685 1.261 7.573 1.00 0.00 H new ATOM 0 HG SER A 33 -18.987 1.262 7.864 1.00 0.00 H new ATOM 461 N HIS A 34 -14.710 -0.597 7.837 1.00 0.00 N ATOM 462 CA HIS A 34 -14.087 -1.623 7.010 1.00 0.00 C ATOM 463 C HIS A 34 -14.010 -2.951 7.757 1.00 0.00 C ATOM 464 O HIS A 34 -14.473 -3.980 7.265 1.00 0.00 O ATOM 465 CB HIS A 34 -12.686 -1.184 6.583 1.00 0.00 C ATOM 466 CG HIS A 34 -12.665 -0.424 5.291 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.612 -0.479 4.404 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.578 0.410 4.740 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.876 0.290 3.362 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.063 0.840 3.541 1.00 0.00 N ATOM 0 H HIS A 34 -14.301 0.332 7.736 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.703 -1.761 6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.254 -0.563 7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.051 -2.065 6.487 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.532 0.686 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.231 0.443 2.509 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.523 1.480 2.894 1.00 0.00 H new ATOM 478 N LEU A 35 -13.422 -2.920 8.948 1.00 0.00 N ATOM 479 CA LEU A 35 -13.283 -4.122 9.764 1.00 0.00 C ATOM 480 C LEU A 35 -14.605 -4.878 9.850 1.00 0.00 C ATOM 481 O LEU A 35 -14.663 -6.082 9.594 1.00 0.00 O ATOM 482 CB LEU A 35 -12.800 -3.756 11.169 1.00 0.00 C ATOM 483 CG LEU A 35 -12.588 -4.925 12.131 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.442 -5.806 11.656 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.321 -4.414 13.540 1.00 0.00 C ATOM 0 H LEU A 35 -13.034 -2.076 9.370 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.545 -4.769 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.860 -3.211 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.523 -3.072 11.614 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.498 -5.525 12.149 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.306 -6.633 12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.672 -6.200 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.526 -5.217 11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.172 -5.260 14.212 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.427 -3.791 13.538 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.173 -3.825 13.881 1.00 0.00 H new ATOM 497 N LYS A 36 -15.667 -4.165 10.208 1.00 0.00 N ATOM 498 CA LYS A 36 -16.990 -4.765 10.323 1.00 0.00 C ATOM 499 C LYS A 36 -17.364 -5.508 9.044 1.00 0.00 C ATOM 500 O LYS A 36 -17.963 -6.582 9.092 1.00 0.00 O ATOM 501 CB LYS A 36 -18.037 -3.690 10.626 1.00 0.00 C ATOM 502 CG LYS A 36 -18.161 -3.360 12.104 1.00 0.00 C ATOM 503 CD LYS A 36 -19.117 -2.203 12.338 1.00 0.00 C ATOM 504 CE LYS A 36 -19.075 -1.732 13.784 1.00 0.00 C ATOM 505 NZ LYS A 36 -19.693 -2.723 14.708 1.00 0.00 N ATOM 0 H LYS A 36 -15.637 -3.169 10.424 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.966 -5.481 11.144 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.782 -2.782 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.006 -4.024 10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.512 -4.238 12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.179 -3.109 12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.858 -1.376 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.131 -2.510 12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.040 -1.556 14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.597 -0.779 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.645 -2.365 15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.687 -2.872 14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.179 -3.625 14.644 1.00 0.00 H new ATOM 519 N ALA A 37 -17.006 -4.929 7.903 1.00 0.00 N ATOM 520 CA ALA A 37 -17.301 -5.538 6.611 1.00 0.00 C ATOM 521 C ALA A 37 -16.407 -6.746 6.357 1.00 0.00 C ATOM 522 O ALA A 37 -16.878 -7.803 5.936 1.00 0.00 O ATOM 523 CB ALA A 37 -17.139 -4.515 5.496 1.00 0.00 C ATOM 0 H ALA A 37 -16.511 -4.039 7.846 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.335 -5.881 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.362 -4.983 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.824 -3.684 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.114 -4.144 5.489 1.00 0.00 H new ATOM 529 N HIS A 38 -15.113 -6.584 6.615 1.00 0.00 N ATOM 530 CA HIS A 38 -14.151 -7.663 6.414 1.00 0.00 C ATOM 531 C HIS A 38 -14.437 -8.827 7.358 1.00 0.00 C ATOM 532 O HIS A 38 -14.732 -9.939 6.918 1.00 0.00 O ATOM 533 CB HIS A 38 -12.727 -7.152 6.633 1.00 0.00 C ATOM 534 CG HIS A 38 -11.741 -8.238 6.935 1.00 0.00 C ATOM 535 ND1 HIS A 38 -10.816 -8.692 6.017 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.536 -8.960 8.061 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.088 -9.648 6.566 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.505 -9.829 7.806 1.00 0.00 N ATOM 0 H HIS A 38 -14.706 -5.716 6.964 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.248 -8.017 5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.402 -6.615 5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.729 -6.436 7.455 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -10.711 -8.344 5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.082 -8.869 8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.288 -10.189 6.083 1.00 0.00 H new ATOM 546 N THR A 39 -14.346 -8.565 8.659 1.00 0.00 N ATOM 547 CA THR A 39 -14.592 -9.592 9.663 1.00 0.00 C ATOM 548 C THR A 39 -15.703 -10.538 9.222 1.00 0.00 C ATOM 549 O THR A 39 -15.603 -11.752 9.399 1.00 0.00 O ATOM 550 CB THR A 39 -14.973 -8.969 11.020 1.00 0.00 C ATOM 551 OG1 THR A 39 -13.962 -8.045 11.435 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.149 -10.047 12.080 1.00 0.00 C ATOM 0 H THR A 39 -14.104 -7.651 9.041 1.00 0.00 H new ATOM 0 HA THR A 39 -13.664 -10.153 9.775 1.00 0.00 H new ATOM 0 HB THR A 39 -15.919 -8.442 10.900 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.060 -7.207 10.936 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.418 -9.583 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.940 -10.732 11.774 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.216 -10.598 12.197 1.00 0.00 H new ATOM 560 N ARG A 40 -16.761 -9.976 8.647 1.00 0.00 N ATOM 561 CA ARG A 40 -17.890 -10.770 8.180 1.00 0.00 C ATOM 562 C ARG A 40 -17.421 -11.898 7.266 1.00 0.00 C ATOM 563 O ARG A 40 -17.841 -13.046 7.412 1.00 0.00 O ATOM 564 CB ARG A 40 -18.893 -9.883 7.440 1.00 0.00 C ATOM 565 CG ARG A 40 -19.881 -9.183 8.360 1.00 0.00 C ATOM 566 CD ARG A 40 -21.093 -8.676 7.593 1.00 0.00 C ATOM 567 NE ARG A 40 -21.936 -9.770 7.117 1.00 0.00 N ATOM 568 CZ ARG A 40 -23.230 -9.638 6.852 1.00 0.00 C ATOM 569 NH1 ARG A 40 -23.829 -8.466 7.017 1.00 0.00 N ATOM 570 NH2 ARG A 40 -23.931 -10.681 6.423 1.00 0.00 N ATOM 0 H ARG A 40 -16.860 -8.972 8.493 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.377 -11.210 9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.348 -9.133 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.445 -10.492 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.205 -9.872 9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.388 -8.348 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.680 -8.019 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.761 -8.078 6.744 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.507 -10.685 6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -23.295 -7.663 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -24.823 -8.368 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.475 -11.585 6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -24.925 -10.578 6.220 1.00 0.00 H new ATOM 584 N THR A 41 -16.548 -11.563 6.321 1.00 0.00 N ATOM 585 CA THR A 41 -16.023 -12.546 5.382 1.00 0.00 C ATOM 586 C THR A 41 -15.780 -13.886 6.068 1.00 0.00 C ATOM 587 O THR A 41 -15.931 -14.944 5.455 1.00 0.00 O ATOM 588 CB THR A 41 -14.707 -12.065 4.742 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.708 -11.883 5.752 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.916 -10.760 3.990 1.00 0.00 C ATOM 0 H THR A 41 -16.190 -10.618 6.186 1.00 0.00 H new ATOM 0 HA THR A 41 -16.774 -12.670 4.602 1.00 0.00 H new ATOM 0 HB THR A 41 -14.375 -12.825 4.035 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.652 -10.934 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.973 -10.440 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.655 -10.908 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.270 -9.995 4.681 1.00 0.00 H new ATOM 598 N HIS A 42 -15.405 -13.835 7.341 1.00 0.00 N ATOM 599 CA HIS A 42 -15.143 -15.046 8.111 1.00 0.00 C ATOM 600 C HIS A 42 -16.447 -15.741 8.491 1.00 0.00 C ATOM 601 O HIS A 42 -16.694 -16.881 8.096 1.00 0.00 O ATOM 602 CB HIS A 42 -14.344 -14.713 9.371 1.00 0.00 C ATOM 603 CG HIS A 42 -13.042 -14.027 9.090 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.030 -14.606 8.353 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.591 -12.803 9.451 1.00 0.00 C ATOM 606 CE1 HIS A 42 -11.012 -13.767 8.274 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.326 -12.666 8.931 1.00 0.00 N ATOM 0 H HIS A 42 -15.275 -12.968 7.862 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.559 -15.723 7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.949 -14.077 10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.149 -15.633 9.922 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.062 -15.536 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.125 -12.071 10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.081 -13.951 7.759 1.00 0.00 H new ATOM 615 N THR A 43 -17.280 -15.047 9.260 1.00 0.00 N ATOM 616 CA THR A 43 -18.558 -15.597 9.695 1.00 0.00 C ATOM 617 C THR A 43 -19.483 -15.841 8.509 1.00 0.00 C ATOM 618 O THR A 43 -19.544 -15.037 7.581 1.00 0.00 O ATOM 619 CB THR A 43 -19.260 -14.661 10.696 1.00 0.00 C ATOM 620 OG1 THR A 43 -20.473 -15.264 11.162 1.00 0.00 O ATOM 621 CG2 THR A 43 -19.571 -13.317 10.054 1.00 0.00 C ATOM 0 H THR A 43 -17.092 -14.102 9.595 1.00 0.00 H new ATOM 0 HA THR A 43 -18.344 -16.546 10.186 1.00 0.00 H new ATOM 0 HB THR A 43 -18.588 -14.497 11.539 1.00 0.00 H new ATOM 0 HG1 THR A 43 -20.913 -14.664 11.799 1.00 0.00 H new ATOM 0 HG21 THR A 43 -20.067 -12.673 10.780 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.644 -12.847 9.726 1.00 0.00 H new ATOM 0 HG23 THR A 43 -20.226 -13.467 9.195 1.00 0.00 H new ATOM 629 N GLY A 44 -20.203 -16.959 8.547 1.00 0.00 N ATOM 630 CA GLY A 44 -21.118 -17.289 7.469 1.00 0.00 C ATOM 631 C GLY A 44 -21.175 -18.779 7.195 1.00 0.00 C ATOM 632 O GLY A 44 -20.816 -19.588 8.049 1.00 0.00 O ATOM 0 H GLY A 44 -20.169 -17.641 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -22.116 -16.930 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -20.811 -16.767 6.563 1.00 0.00 H new ATOM 636 N GLU A 45 -21.632 -19.140 5.999 1.00 0.00 N ATOM 637 CA GLU A 45 -21.738 -20.544 5.617 1.00 0.00 C ATOM 638 C GLU A 45 -20.357 -21.174 5.470 1.00 0.00 C ATOM 639 O GLU A 45 -19.369 -20.482 5.223 1.00 0.00 O ATOM 640 CB GLU A 45 -22.515 -20.680 4.305 1.00 0.00 C ATOM 641 CG GLU A 45 -21.733 -20.224 3.085 1.00 0.00 C ATOM 642 CD GLU A 45 -21.095 -18.862 3.277 1.00 0.00 C ATOM 643 OE1 GLU A 45 -21.833 -17.894 3.555 1.00 0.00 O ATOM 644 OE2 GLU A 45 -19.857 -18.764 3.148 1.00 0.00 O ATOM 0 H GLU A 45 -21.934 -18.482 5.280 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.275 -21.070 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -22.806 -21.722 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -23.434 -20.099 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.957 -20.956 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -22.399 -20.191 2.223 1.00 0.00 H new ATOM 651 N LYS A 46 -20.295 -22.492 5.624 1.00 0.00 N ATOM 652 CA LYS A 46 -19.035 -23.218 5.509 1.00 0.00 C ATOM 653 C LYS A 46 -18.974 -23.996 4.198 1.00 0.00 C ATOM 654 O LYS A 46 -19.711 -24.959 3.983 1.00 0.00 O ATOM 655 CB LYS A 46 -18.865 -24.177 6.690 1.00 0.00 C ATOM 656 CG LYS A 46 -18.667 -23.471 8.021 1.00 0.00 C ATOM 657 CD LYS A 46 -18.488 -24.465 9.157 1.00 0.00 C ATOM 658 CE LYS A 46 -18.125 -23.764 10.457 1.00 0.00 C ATOM 659 NZ LYS A 46 -19.260 -22.960 10.990 1.00 0.00 N ATOM 0 H LYS A 46 -21.103 -23.080 5.829 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.223 -22.491 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -19.743 -24.819 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.009 -24.825 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.794 -22.822 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -19.526 -22.832 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -19.408 -25.033 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.707 -25.180 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.826 -24.505 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.266 -23.114 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.972 -22.498 11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.529 -22.236 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.072 -23.584 11.172 1.00 0.00 H new ATOM 673 N PRO A 47 -18.075 -23.570 3.299 1.00 0.00 N ATOM 674 CA PRO A 47 -17.894 -24.214 1.993 1.00 0.00 C ATOM 675 C PRO A 47 -17.267 -25.600 2.112 1.00 0.00 C ATOM 676 O PRO A 47 -17.774 -26.571 1.553 1.00 0.00 O ATOM 677 CB PRO A 47 -16.950 -23.262 1.256 1.00 0.00 C ATOM 678 CG PRO A 47 -16.204 -22.555 2.335 1.00 0.00 C ATOM 679 CD PRO A 47 -17.163 -22.430 3.487 1.00 0.00 C ATOM 0 HA PRO A 47 -18.844 -24.374 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -16.273 -23.807 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -17.504 -22.560 0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -15.315 -23.114 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.868 -21.574 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.648 -22.482 4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.697 -21.480 3.463 1.00 0.00 H new ATOM 687 N PHE A 48 -16.161 -25.682 2.846 1.00 0.00 N ATOM 688 CA PHE A 48 -15.465 -26.949 3.037 1.00 0.00 C ATOM 689 C PHE A 48 -16.179 -27.811 4.075 1.00 0.00 C ATOM 690 O PHE A 48 -16.344 -27.408 5.226 1.00 0.00 O ATOM 691 CB PHE A 48 -14.020 -26.699 3.473 1.00 0.00 C ATOM 692 CG PHE A 48 -13.163 -26.104 2.393 1.00 0.00 C ATOM 693 CD1 PHE A 48 -12.608 -26.906 1.409 1.00 0.00 C ATOM 694 CD2 PHE A 48 -12.910 -24.742 2.363 1.00 0.00 C ATOM 695 CE1 PHE A 48 -11.819 -26.361 0.413 1.00 0.00 C ATOM 696 CE2 PHE A 48 -12.122 -24.191 1.370 1.00 0.00 C ATOM 697 CZ PHE A 48 -11.575 -25.002 0.394 1.00 0.00 C ATOM 0 H PHE A 48 -15.729 -24.887 3.317 1.00 0.00 H new ATOM 0 HA PHE A 48 -15.464 -27.482 2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.019 -26.032 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.579 -27.641 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.794 -27.970 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.333 -24.104 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.394 -26.997 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.934 -23.128 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.958 -24.574 -0.382 1.00 0.00 H new ATOM 707 N SER A 49 -16.601 -29.000 3.657 1.00 0.00 N ATOM 708 CA SER A 49 -17.302 -29.919 4.547 1.00 0.00 C ATOM 709 C SER A 49 -16.742 -31.332 4.420 1.00 0.00 C ATOM 710 O SER A 49 -16.491 -31.816 3.316 1.00 0.00 O ATOM 711 CB SER A 49 -18.800 -29.921 4.237 1.00 0.00 C ATOM 712 OG SER A 49 -19.040 -30.290 2.889 1.00 0.00 O ATOM 0 H SER A 49 -16.470 -29.350 2.708 1.00 0.00 H new ATOM 0 HA SER A 49 -17.152 -29.579 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 49 -19.312 -30.614 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 49 -19.215 -28.931 4.426 1.00 0.00 H new ATOM 0 HG SER A 49 -20.004 -30.286 2.715 1.00 0.00 H new ATOM 718 N CYS A 50 -16.547 -31.989 5.559 1.00 0.00 N ATOM 719 CA CYS A 50 -16.017 -33.347 5.577 1.00 0.00 C ATOM 720 C CYS A 50 -16.794 -34.248 4.622 1.00 0.00 C ATOM 721 O CYS A 50 -16.257 -34.716 3.618 1.00 0.00 O ATOM 722 CB CYS A 50 -16.073 -33.919 6.995 1.00 0.00 C ATOM 723 SG CYS A 50 -15.233 -35.525 7.183 1.00 0.00 S ATOM 0 H CYS A 50 -16.748 -31.603 6.481 1.00 0.00 H new ATOM 0 HA CYS A 50 -14.979 -33.309 5.248 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -15.622 -33.203 7.682 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -17.117 -34.030 7.289 1.00 0.00 H new ATOM 728 N SER A 51 -18.062 -34.487 4.942 1.00 0.00 N ATOM 729 CA SER A 51 -18.913 -35.334 4.115 1.00 0.00 C ATOM 730 C SER A 51 -18.322 -36.734 3.983 1.00 0.00 C ATOM 731 O SER A 51 -18.230 -37.281 2.884 1.00 0.00 O ATOM 732 CB SER A 51 -19.095 -34.712 2.729 1.00 0.00 C ATOM 733 OG SER A 51 -20.143 -35.348 2.018 1.00 0.00 O ATOM 0 H SER A 51 -18.522 -34.106 5.768 1.00 0.00 H new ATOM 0 HA SER A 51 -19.886 -35.414 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.313 -33.649 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.166 -34.795 2.165 1.00 0.00 H new ATOM 0 HG SER A 51 -19.943 -36.303 1.926 1.00 0.00 H new ATOM 739 N TRP A 52 -17.922 -37.310 5.113 1.00 0.00 N ATOM 740 CA TRP A 52 -17.339 -38.646 5.124 1.00 0.00 C ATOM 741 C TRP A 52 -18.428 -39.714 5.150 1.00 0.00 C ATOM 742 O TRP A 52 -19.613 -39.404 5.271 1.00 0.00 O ATOM 743 CB TRP A 52 -16.416 -38.812 6.332 1.00 0.00 C ATOM 744 CG TRP A 52 -15.545 -40.028 6.253 1.00 0.00 C ATOM 745 CD1 TRP A 52 -15.586 -41.122 7.071 1.00 0.00 C ATOM 746 CD2 TRP A 52 -14.502 -40.274 5.303 1.00 0.00 C ATOM 747 NE1 TRP A 52 -14.632 -42.032 6.687 1.00 0.00 N ATOM 748 CE2 TRP A 52 -13.955 -41.537 5.605 1.00 0.00 C ATOM 749 CE3 TRP A 52 -13.980 -39.553 4.227 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -12.909 -42.089 4.868 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -12.942 -40.103 3.498 1.00 0.00 C ATOM 752 CH2 TRP A 52 -12.417 -41.361 3.820 1.00 0.00 C ATOM 0 H TRP A 52 -17.991 -36.872 6.032 1.00 0.00 H new ATOM 0 HA TRP A 52 -16.756 -38.769 4.211 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -15.785 -37.928 6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -17.021 -38.866 7.237 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -16.268 -41.252 7.898 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -14.456 -42.931 7.135 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -14.380 -38.583 3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -12.501 -43.058 5.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -12.529 -39.553 2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -11.608 -41.764 3.229 1.00 0.00 H new ATOM 763 N LYS A 53 -18.018 -40.973 5.035 1.00 0.00 N ATOM 764 CA LYS A 53 -18.957 -42.088 5.047 1.00 0.00 C ATOM 765 C LYS A 53 -20.137 -41.796 5.969 1.00 0.00 C ATOM 766 O LYS A 53 -21.293 -41.983 5.593 1.00 0.00 O ATOM 767 CB LYS A 53 -18.252 -43.371 5.492 1.00 0.00 C ATOM 768 CG LYS A 53 -19.115 -44.614 5.367 1.00 0.00 C ATOM 769 CD LYS A 53 -19.338 -44.994 3.912 1.00 0.00 C ATOM 770 CE LYS A 53 -19.807 -46.435 3.779 1.00 0.00 C ATOM 771 NZ LYS A 53 -18.700 -47.404 4.017 1.00 0.00 N ATOM 0 H LYS A 53 -17.041 -41.246 4.932 1.00 0.00 H new ATOM 0 HA LYS A 53 -19.336 -42.223 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.349 -43.505 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.936 -43.261 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.639 -45.443 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.077 -44.441 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -20.078 -44.327 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.412 -44.858 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.612 -46.622 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.219 -46.592 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.001 -48.355 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.865 -47.119 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.460 -47.415 5.029 1.00 0.00 H new ATOM 785 N GLY A 54 -19.835 -41.335 7.179 1.00 0.00 N ATOM 786 CA GLY A 54 -20.881 -41.024 8.136 1.00 0.00 C ATOM 787 C GLY A 54 -20.551 -39.811 8.982 1.00 0.00 C ATOM 788 O GLY A 54 -20.820 -39.790 10.184 1.00 0.00 O ATOM 0 H GLY A 54 -18.885 -41.171 7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.816 -40.848 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -21.041 -41.884 8.786 1.00 0.00 H new ATOM 792 N CYS A 55 -19.964 -38.796 8.355 1.00 0.00 N ATOM 793 CA CYS A 55 -19.594 -37.573 9.058 1.00 0.00 C ATOM 794 C CYS A 55 -20.247 -36.355 8.410 1.00 0.00 C ATOM 795 O CYS A 55 -20.254 -36.220 7.187 1.00 0.00 O ATOM 796 CB CYS A 55 -18.073 -37.407 9.069 1.00 0.00 C ATOM 797 SG CYS A 55 -17.482 -36.043 10.121 1.00 0.00 S ATOM 0 H CYS A 55 -19.734 -38.797 7.361 1.00 0.00 H new ATOM 0 HA CYS A 55 -19.951 -37.650 10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.619 -38.338 9.410 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.729 -37.240 8.048 1.00 0.00 H new ATOM 802 N GLU A 56 -20.790 -35.471 9.240 1.00 0.00 N ATOM 803 CA GLU A 56 -21.445 -34.265 8.748 1.00 0.00 C ATOM 804 C GLU A 56 -20.699 -33.015 9.208 1.00 0.00 C ATOM 805 O GLU A 56 -21.213 -31.900 9.107 1.00 0.00 O ATOM 806 CB GLU A 56 -22.896 -34.211 9.230 1.00 0.00 C ATOM 807 CG GLU A 56 -23.034 -33.926 10.717 1.00 0.00 C ATOM 808 CD GLU A 56 -24.461 -34.071 11.209 1.00 0.00 C ATOM 809 OE1 GLU A 56 -25.316 -33.261 10.795 1.00 0.00 O ATOM 810 OE2 GLU A 56 -24.721 -34.995 12.007 1.00 0.00 O ATOM 0 H GLU A 56 -20.789 -35.567 10.255 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.433 -34.296 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.427 -33.441 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.380 -35.161 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.390 -34.606 11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.684 -32.915 10.923 1.00 0.00 H new ATOM 817 N ARG A 57 -19.485 -33.210 9.713 1.00 0.00 N ATOM 818 CA ARG A 57 -18.670 -32.100 10.190 1.00 0.00 C ATOM 819 C ARG A 57 -18.083 -31.314 9.020 1.00 0.00 C ATOM 820 O ARG A 57 -17.818 -31.873 7.955 1.00 0.00 O ATOM 821 CB ARG A 57 -17.543 -32.616 11.087 1.00 0.00 C ATOM 822 CG ARG A 57 -17.988 -32.921 12.508 1.00 0.00 C ATOM 823 CD ARG A 57 -18.001 -31.666 13.368 1.00 0.00 C ATOM 824 NE ARG A 57 -16.653 -31.215 13.698 1.00 0.00 N ATOM 825 CZ ARG A 57 -16.395 -30.249 14.574 1.00 0.00 C ATOM 826 NH1 ARG A 57 -17.389 -29.636 15.203 1.00 0.00 N ATOM 827 NH2 ARG A 57 -15.141 -29.894 14.821 1.00 0.00 N ATOM 0 H ARG A 57 -19.045 -34.126 9.802 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.310 -31.434 10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -17.123 -33.519 10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.745 -31.874 11.116 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.984 -33.363 12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.319 -33.659 12.950 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.530 -30.872 12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.553 -31.862 14.287 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.866 -31.665 13.231 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.355 -29.905 15.015 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.188 -28.895 15.875 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.374 -30.362 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.944 -29.153 15.493 1.00 0.00 H new ATOM 841 N ARG A 58 -17.884 -30.017 9.226 1.00 0.00 N ATOM 842 CA ARG A 58 -17.332 -29.155 8.188 1.00 0.00 C ATOM 843 C ARG A 58 -16.542 -28.003 8.803 1.00 0.00 C ATOM 844 O ARG A 58 -16.481 -27.859 10.024 1.00 0.00 O ATOM 845 CB ARG A 58 -18.451 -28.604 7.303 1.00 0.00 C ATOM 846 CG ARG A 58 -19.436 -27.718 8.047 1.00 0.00 C ATOM 847 CD ARG A 58 -20.569 -27.262 7.142 1.00 0.00 C ATOM 848 NE ARG A 58 -21.506 -28.346 6.850 1.00 0.00 N ATOM 849 CZ ARG A 58 -22.614 -28.567 7.547 1.00 0.00 C ATOM 850 NH1 ARG A 58 -22.924 -27.785 8.571 1.00 0.00 N ATOM 851 NH2 ARG A 58 -23.415 -29.573 7.219 1.00 0.00 N ATOM 0 H ARG A 58 -18.097 -29.540 10.102 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.656 -29.752 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -18.009 -28.034 6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.992 -29.437 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.845 -28.262 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -18.915 -26.848 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -21.103 -26.439 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -20.156 -26.878 6.209 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.297 -28.966 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -22.311 -27.011 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -23.776 -27.957 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.179 -30.177 6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.266 -29.743 7.755 1.00 0.00 H new ATOM 865 N PHE A 59 -15.936 -27.185 7.948 1.00 0.00 N ATOM 866 CA PHE A 59 -15.148 -26.047 8.407 1.00 0.00 C ATOM 867 C PHE A 59 -15.089 -24.960 7.337 1.00 0.00 C ATOM 868 O PHE A 59 -15.306 -25.225 6.155 1.00 0.00 O ATOM 869 CB PHE A 59 -13.732 -26.494 8.773 1.00 0.00 C ATOM 870 CG PHE A 59 -13.696 -27.724 9.635 1.00 0.00 C ATOM 871 CD1 PHE A 59 -13.945 -28.974 9.092 1.00 0.00 C ATOM 872 CD2 PHE A 59 -13.413 -27.630 10.989 1.00 0.00 C ATOM 873 CE1 PHE A 59 -13.914 -30.107 9.883 1.00 0.00 C ATOM 874 CE2 PHE A 59 -13.380 -28.759 11.785 1.00 0.00 C ATOM 875 CZ PHE A 59 -13.630 -29.999 11.231 1.00 0.00 C ATOM 0 H PHE A 59 -15.976 -27.289 6.934 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.632 -25.636 9.293 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.172 -26.685 7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.226 -25.681 9.293 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.166 -29.064 8.039 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.216 -26.663 11.427 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -14.112 -31.076 9.448 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.159 -28.672 12.839 1.00 0.00 H new ATOM 0 HZ PHE A 59 -13.604 -30.883 11.851 1.00 0.00 H new ATOM 885 N ALA A 60 -14.793 -23.736 7.761 1.00 0.00 N ATOM 886 CA ALA A 60 -14.703 -22.610 6.841 1.00 0.00 C ATOM 887 C ALA A 60 -13.425 -22.678 6.012 1.00 0.00 C ATOM 888 O ALA A 60 -13.463 -22.583 4.786 1.00 0.00 O ATOM 889 CB ALA A 60 -14.770 -21.297 7.606 1.00 0.00 C ATOM 0 H ALA A 60 -14.611 -23.499 8.736 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.550 -22.663 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -14.702 -20.464 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.714 -21.239 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -13.942 -21.245 8.313 1.00 0.00 H new ATOM 895 N ARG A 61 -12.293 -22.841 6.691 1.00 0.00 N ATOM 896 CA ARG A 61 -11.003 -22.919 6.017 1.00 0.00 C ATOM 897 C ARG A 61 -10.677 -24.360 5.633 1.00 0.00 C ATOM 898 O ARG A 61 -10.920 -25.288 6.403 1.00 0.00 O ATOM 899 CB ARG A 61 -9.900 -22.357 6.916 1.00 0.00 C ATOM 900 CG ARG A 61 -9.700 -20.858 6.770 1.00 0.00 C ATOM 901 CD ARG A 61 -10.860 -20.080 7.372 1.00 0.00 C ATOM 902 NE ARG A 61 -11.915 -19.827 6.394 1.00 0.00 N ATOM 903 CZ ARG A 61 -12.789 -18.832 6.496 1.00 0.00 C ATOM 904 NH1 ARG A 61 -12.734 -18.000 7.528 1.00 0.00 N ATOM 905 NH2 ARG A 61 -13.720 -18.666 5.566 1.00 0.00 N ATOM 0 H ARG A 61 -12.244 -22.921 7.707 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.059 -22.322 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.139 -22.584 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.963 -22.864 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.771 -20.564 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.599 -20.604 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.272 -20.637 8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.495 -19.131 7.765 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.984 -20.449 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.019 -18.124 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.406 -17.237 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.766 -19.303 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.390 -17.901 5.646 1.00 0.00 H new ATOM 919 N SER A 62 -10.125 -24.537 4.437 1.00 0.00 N ATOM 920 CA SER A 62 -9.769 -25.864 3.949 1.00 0.00 C ATOM 921 C SER A 62 -8.736 -26.520 4.860 1.00 0.00 C ATOM 922 O SER A 62 -8.869 -27.687 5.229 1.00 0.00 O ATOM 923 CB SER A 62 -9.224 -25.776 2.522 1.00 0.00 C ATOM 924 OG SER A 62 -9.504 -26.960 1.795 1.00 0.00 O ATOM 0 H SER A 62 -9.915 -23.778 3.788 1.00 0.00 H new ATOM 0 HA SER A 62 -10.670 -26.478 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.666 -24.920 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.147 -25.609 2.550 1.00 0.00 H new ATOM 0 HG SER A 62 -10.473 -27.056 1.686 1.00 0.00 H new ATOM 930 N ASP A 63 -7.707 -25.761 5.220 1.00 0.00 N ATOM 931 CA ASP A 63 -6.652 -26.266 6.089 1.00 0.00 C ATOM 932 C ASP A 63 -7.241 -26.975 7.305 1.00 0.00 C ATOM 933 O ASP A 63 -6.877 -28.110 7.611 1.00 0.00 O ATOM 934 CB ASP A 63 -5.742 -25.122 6.542 1.00 0.00 C ATOM 935 CG ASP A 63 -4.702 -24.763 5.498 1.00 0.00 C ATOM 936 OD1 ASP A 63 -5.017 -24.848 4.292 1.00 0.00 O ATOM 937 OD2 ASP A 63 -3.575 -24.396 5.888 1.00 0.00 O ATOM 0 H ASP A 63 -7.581 -24.793 4.923 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.063 -26.986 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.349 -24.244 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.241 -25.405 7.468 1.00 0.00 H new ATOM 942 N GLU A 64 -8.152 -26.296 7.994 1.00 0.00 N ATOM 943 CA GLU A 64 -8.791 -26.860 9.178 1.00 0.00 C ATOM 944 C GLU A 64 -9.423 -28.214 8.863 1.00 0.00 C ATOM 945 O GLU A 64 -9.165 -29.206 9.546 1.00 0.00 O ATOM 946 CB GLU A 64 -9.855 -25.902 9.717 1.00 0.00 C ATOM 947 CG GLU A 64 -9.293 -24.570 10.185 1.00 0.00 C ATOM 948 CD GLU A 64 -10.178 -23.892 11.214 1.00 0.00 C ATOM 949 OE1 GLU A 64 -11.399 -23.796 10.972 1.00 0.00 O ATOM 950 OE2 GLU A 64 -9.650 -23.458 12.258 1.00 0.00 O ATOM 0 H GLU A 64 -8.464 -25.355 7.753 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.024 -27.004 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.596 -25.721 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.375 -26.380 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.302 -24.728 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.170 -23.910 9.326 1.00 0.00 H new ATOM 957 N LEU A 65 -10.251 -28.245 7.824 1.00 0.00 N ATOM 958 CA LEU A 65 -10.920 -29.476 7.417 1.00 0.00 C ATOM 959 C LEU A 65 -9.923 -30.623 7.292 1.00 0.00 C ATOM 960 O LEU A 65 -10.016 -31.620 8.009 1.00 0.00 O ATOM 961 CB LEU A 65 -11.645 -29.269 6.086 1.00 0.00 C ATOM 962 CG LEU A 65 -12.065 -30.539 5.346 1.00 0.00 C ATOM 963 CD1 LEU A 65 -13.088 -31.317 6.159 1.00 0.00 C ATOM 964 CD2 LEU A 65 -12.623 -30.196 3.972 1.00 0.00 C ATOM 0 H LEU A 65 -10.475 -27.433 7.249 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.649 -29.735 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.536 -28.668 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.998 -28.687 5.429 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.184 -31.167 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -13.375 -32.218 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.654 -31.595 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.969 -30.697 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.917 -31.112 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.492 -29.548 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.860 -29.682 3.387 1.00 0.00 H new ATOM 976 N SER A 66 -8.968 -30.475 6.380 1.00 0.00 N ATOM 977 CA SER A 66 -7.953 -31.499 6.161 1.00 0.00 C ATOM 978 C SER A 66 -7.524 -32.130 7.482 1.00 0.00 C ATOM 979 O SER A 66 -7.455 -33.353 7.605 1.00 0.00 O ATOM 980 CB SER A 66 -6.738 -30.899 5.450 1.00 0.00 C ATOM 981 OG SER A 66 -5.929 -31.914 4.881 1.00 0.00 O ATOM 0 H SER A 66 -8.876 -29.655 5.780 1.00 0.00 H new ATOM 0 HA SER A 66 -8.386 -32.276 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.070 -30.214 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.150 -30.315 6.158 1.00 0.00 H new ATOM 0 HG SER A 66 -5.160 -31.506 4.431 1.00 0.00 H new ATOM 987 N ARG A 67 -7.237 -31.286 8.468 1.00 0.00 N ATOM 988 CA ARG A 67 -6.814 -31.761 9.779 1.00 0.00 C ATOM 989 C ARG A 67 -7.878 -32.660 10.402 1.00 0.00 C ATOM 990 O ARG A 67 -7.605 -33.808 10.758 1.00 0.00 O ATOM 991 CB ARG A 67 -6.527 -30.577 10.705 1.00 0.00 C ATOM 992 CG ARG A 67 -5.856 -30.971 12.010 1.00 0.00 C ATOM 993 CD ARG A 67 -4.423 -31.428 11.784 1.00 0.00 C ATOM 994 NE ARG A 67 -3.514 -30.302 11.586 1.00 0.00 N ATOM 995 CZ ARG A 67 -3.246 -29.773 10.396 1.00 0.00 C ATOM 996 NH1 ARG A 67 -3.814 -30.268 9.305 1.00 0.00 N ATOM 997 NH2 ARG A 67 -2.409 -28.749 10.298 1.00 0.00 N ATOM 0 H ARG A 67 -7.290 -30.271 8.383 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.902 -32.343 9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.892 -29.863 10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.464 -30.066 10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.865 -30.123 12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.424 -31.771 12.485 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.091 -32.016 12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.384 -32.083 10.913 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.060 -29.899 12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.458 -31.056 9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.607 -29.861 8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.970 -28.367 11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.204 -28.344 9.385 1.00 0.00 H new ATOM 1011 N HIS A 68 -9.090 -32.132 10.532 1.00 0.00 N ATOM 1012 CA HIS A 68 -10.195 -32.887 11.111 1.00 0.00 C ATOM 1013 C HIS A 68 -10.177 -34.335 10.628 1.00 0.00 C ATOM 1014 O HIS A 68 -10.193 -35.268 11.431 1.00 0.00 O ATOM 1015 CB HIS A 68 -11.531 -32.234 10.752 1.00 0.00 C ATOM 1016 CG HIS A 68 -12.694 -33.176 10.817 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -13.601 -33.182 11.856 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -13.098 -34.145 9.963 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -14.510 -34.114 11.640 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -14.228 -34.713 10.498 1.00 0.00 N ATOM 0 H HIS A 68 -9.332 -31.184 10.244 1.00 0.00 H new ATOM 0 HA HIS A 68 -10.076 -32.883 12.195 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.712 -31.399 11.429 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.465 -31.820 9.746 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -13.573 -32.562 12.666 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.621 -34.420 9.034 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.343 -34.347 12.287 1.00 0.00 H new ATOM 1028 N ARG A 69 -10.143 -34.513 9.311 1.00 0.00 N ATOM 1029 CA ARG A 69 -10.125 -35.846 8.722 1.00 0.00 C ATOM 1030 C ARG A 69 -9.281 -36.800 9.562 1.00 0.00 C ATOM 1031 O ARG A 69 -9.685 -37.933 9.827 1.00 0.00 O ATOM 1032 CB ARG A 69 -9.578 -35.788 7.293 1.00 0.00 C ATOM 1033 CG ARG A 69 -10.657 -35.628 6.235 1.00 0.00 C ATOM 1034 CD ARG A 69 -11.158 -34.194 6.163 1.00 0.00 C ATOM 1035 NE ARG A 69 -11.637 -33.848 4.828 1.00 0.00 N ATOM 1036 CZ ARG A 69 -10.862 -33.845 3.747 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -9.580 -34.169 3.846 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -11.371 -33.519 2.566 1.00 0.00 N ATOM 0 H ARG A 69 -10.127 -33.751 8.633 1.00 0.00 H new ATOM 0 HA ARG A 69 -11.149 -36.219 8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.878 -34.957 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.015 -36.699 7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.263 -35.926 5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.490 -36.295 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.963 -34.055 6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.354 -33.515 6.447 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.619 -33.595 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.186 -34.421 4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.988 -34.166 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.357 -33.270 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.776 -33.517 1.737 1.00 0.00 H new ATOM 1052 N ARG A 70 -8.107 -36.336 9.977 1.00 0.00 N ATOM 1053 CA ARG A 70 -7.206 -37.148 10.785 1.00 0.00 C ATOM 1054 C ARG A 70 -7.990 -38.042 11.741 1.00 0.00 C ATOM 1055 O ARG A 70 -7.756 -39.250 11.812 1.00 0.00 O ATOM 1056 CB ARG A 70 -6.249 -36.253 11.575 1.00 0.00 C ATOM 1057 CG ARG A 70 -5.158 -35.624 10.723 1.00 0.00 C ATOM 1058 CD ARG A 70 -3.976 -35.182 11.570 1.00 0.00 C ATOM 1059 NE ARG A 70 -2.953 -34.512 10.773 1.00 0.00 N ATOM 1060 CZ ARG A 70 -1.666 -34.484 11.102 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -1.247 -35.085 12.206 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -0.794 -33.853 10.325 1.00 0.00 N ATOM 0 H ARG A 70 -7.758 -35.401 9.767 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.628 -37.783 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.822 -35.462 12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.786 -36.841 12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.822 -36.340 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.563 -34.766 10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.323 -34.509 12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.540 -36.050 12.065 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.242 -34.039 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.913 -35.571 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.258 -35.062 12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.112 -33.389 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.194 -33.832 10.579 1.00 0.00 H new ATOM 1076 N THR A 71 -8.921 -37.442 12.476 1.00 0.00 N ATOM 1077 CA THR A 71 -9.738 -38.183 13.428 1.00 0.00 C ATOM 1078 C THR A 71 -10.150 -39.538 12.862 1.00 0.00 C ATOM 1079 O THR A 71 -9.949 -40.574 13.498 1.00 0.00 O ATOM 1080 CB THR A 71 -11.003 -37.395 13.815 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.780 -37.110 12.646 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.639 -36.095 14.515 1.00 0.00 C ATOM 0 H THR A 71 -9.128 -36.444 12.430 1.00 0.00 H new ATOM 0 HA THR A 71 -9.127 -38.335 14.318 1.00 0.00 H new ATOM 0 HB THR A 71 -11.589 -38.007 14.501 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.250 -36.568 12.025 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.549 -35.556 14.778 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.073 -36.315 15.420 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.034 -35.480 13.849 1.00 0.00 H new ATOM 1090 N HIS A 72 -10.726 -39.523 11.665 1.00 0.00 N ATOM 1091 CA HIS A 72 -11.165 -40.752 11.013 1.00 0.00 C ATOM 1092 C HIS A 72 -9.987 -41.691 10.775 1.00 0.00 C ATOM 1093 O HIS A 72 -8.908 -41.260 10.370 1.00 0.00 O ATOM 1094 CB HIS A 72 -11.853 -40.432 9.685 1.00 0.00 C ATOM 1095 CG HIS A 72 -13.071 -39.573 9.834 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -14.261 -40.038 10.351 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -13.278 -38.271 9.530 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -15.149 -39.059 10.358 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -14.576 -37.975 9.865 1.00 0.00 N ATOM 0 H HIS A 72 -10.900 -38.674 11.127 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.877 -41.250 11.672 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.142 -39.930 9.029 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.134 -41.365 9.196 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.430 -40.989 10.677 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.556 -37.591 9.103 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.168 -39.132 10.707 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.930 -11.192 9.231 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -15.281 -36.097 9.462 1.00 0.00 ZN