USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.489 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.979 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.1) 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 HD1:sc= -4.98! C(o=-5!,f=-8.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.9 USER MOD Single : A 29 TYR OH : rot -149:sc= -0.999 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= -0.0428 USER MOD Single : A 34 HIS : no HD1:sc= -2.85 X(o=-2.9,f=-2.7) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -0.0203 (180deg=-0.253) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -97:sc= 0.127 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= -0.087 (180deg=-0.17) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -62:sc= 0.178! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -60:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.669 40.189 -16.656 1.00 0.00 N ATOM 2 CA GLY A 1 10.517 39.311 -16.547 1.00 0.00 C ATOM 3 C GLY A 1 10.875 37.953 -15.978 1.00 0.00 C ATOM 4 O GLY A 1 11.117 37.819 -14.779 1.00 0.00 O ATOM 0 H1 GLY A 1 11.372 41.104 -17.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.084 40.336 -15.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.377 39.756 -17.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.765 39.780 -15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.068 39.182 -17.532 1.00 0.00 H new ATOM 8 N SER A 2 10.907 36.942 -16.841 1.00 0.00 N ATOM 9 CA SER A 2 11.232 35.585 -16.417 1.00 0.00 C ATOM 10 C SER A 2 10.263 35.106 -15.340 1.00 0.00 C ATOM 11 O SER A 2 10.665 34.472 -14.365 1.00 0.00 O ATOM 12 CB SER A 2 12.667 35.522 -15.891 1.00 0.00 C ATOM 13 OG SER A 2 13.059 34.185 -15.634 1.00 0.00 O ATOM 0 H SER A 2 10.712 37.037 -17.838 1.00 0.00 H new ATOM 0 HA SER A 2 11.141 34.929 -17.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.344 35.969 -16.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.748 36.110 -14.977 1.00 0.00 H new ATOM 0 HG SER A 2 12.457 33.789 -14.970 1.00 0.00 H new ATOM 19 N SER A 3 8.983 35.414 -15.525 1.00 0.00 N ATOM 20 CA SER A 3 7.956 35.020 -14.569 1.00 0.00 C ATOM 21 C SER A 3 7.380 33.653 -14.924 1.00 0.00 C ATOM 22 O SER A 3 7.211 33.324 -16.097 1.00 0.00 O ATOM 23 CB SER A 3 6.837 36.063 -14.529 1.00 0.00 C ATOM 24 OG SER A 3 5.959 35.828 -13.443 1.00 0.00 O ATOM 0 H SER A 3 8.633 35.935 -16.329 1.00 0.00 H new ATOM 0 HA SER A 3 8.418 34.956 -13.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.268 37.060 -14.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.278 36.037 -15.464 1.00 0.00 H new ATOM 0 HG SER A 3 5.254 36.509 -13.439 1.00 0.00 H new ATOM 30 N GLY A 4 7.079 32.859 -13.900 1.00 0.00 N ATOM 31 CA GLY A 4 6.525 31.537 -14.124 1.00 0.00 C ATOM 32 C GLY A 4 5.872 30.964 -12.882 1.00 0.00 C ATOM 33 O GLY A 4 5.929 31.564 -11.809 1.00 0.00 O ATOM 0 H GLY A 4 7.209 33.108 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.790 31.586 -14.927 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.317 30.866 -14.457 1.00 0.00 H new ATOM 37 N SER A 5 5.247 29.800 -13.027 1.00 0.00 N ATOM 38 CA SER A 5 4.575 29.148 -11.909 1.00 0.00 C ATOM 39 C SER A 5 4.354 27.665 -12.196 1.00 0.00 C ATOM 40 O SER A 5 4.487 27.217 -13.335 1.00 0.00 O ATOM 41 CB SER A 5 3.236 29.829 -11.623 1.00 0.00 C ATOM 42 OG SER A 5 3.419 31.026 -10.886 1.00 0.00 O ATOM 0 H SER A 5 5.192 29.289 -13.908 1.00 0.00 H new ATOM 0 HA SER A 5 5.215 29.238 -11.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.729 30.051 -12.562 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.591 29.150 -11.065 1.00 0.00 H new ATOM 0 HG SER A 5 4.310 31.390 -11.070 1.00 0.00 H new ATOM 48 N SER A 6 4.016 26.912 -11.156 1.00 0.00 N ATOM 49 CA SER A 6 3.779 25.479 -11.295 1.00 0.00 C ATOM 50 C SER A 6 3.038 24.930 -10.080 1.00 0.00 C ATOM 51 O SER A 6 2.935 25.595 -9.050 1.00 0.00 O ATOM 52 CB SER A 6 5.105 24.738 -11.477 1.00 0.00 C ATOM 53 OG SER A 6 5.906 24.832 -10.311 1.00 0.00 O ATOM 0 H SER A 6 3.900 27.269 -10.208 1.00 0.00 H new ATOM 0 HA SER A 6 3.159 25.322 -12.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.911 23.690 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.645 25.155 -12.327 1.00 0.00 H new ATOM 0 HG SER A 6 6.747 24.349 -10.452 1.00 0.00 H new ATOM 59 N GLY A 7 2.523 23.711 -10.208 1.00 0.00 N ATOM 60 CA GLY A 7 1.798 23.093 -9.114 1.00 0.00 C ATOM 61 C GLY A 7 2.034 21.598 -9.035 1.00 0.00 C ATOM 62 O GLY A 7 1.481 20.817 -9.811 1.00 0.00 O ATOM 0 H GLY A 7 2.595 23.140 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.100 23.556 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.732 23.284 -9.235 1.00 0.00 H new ATOM 66 N PRO A 8 2.875 21.178 -8.078 1.00 0.00 N ATOM 67 CA PRO A 8 3.203 19.763 -7.876 1.00 0.00 C ATOM 68 C PRO A 8 2.024 18.967 -7.328 1.00 0.00 C ATOM 69 O PRO A 8 0.958 19.522 -7.063 1.00 0.00 O ATOM 70 CB PRO A 8 4.342 19.805 -6.855 1.00 0.00 C ATOM 71 CG PRO A 8 4.145 21.085 -6.119 1.00 0.00 C ATOM 72 CD PRO A 8 3.569 22.051 -7.117 1.00 0.00 C ATOM 0 HA PRO A 8 3.469 19.269 -8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.300 18.950 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.315 19.776 -7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.471 20.949 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.089 21.454 -5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.883 22.754 -6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.348 22.641 -7.600 1.00 0.00 H new ATOM 80 N GLN A 9 2.223 17.663 -7.159 1.00 0.00 N ATOM 81 CA GLN A 9 1.176 16.792 -6.641 1.00 0.00 C ATOM 82 C GLN A 9 1.536 16.273 -5.254 1.00 0.00 C ATOM 83 O GLN A 9 2.698 16.314 -4.846 1.00 0.00 O ATOM 84 CB GLN A 9 0.944 15.617 -7.593 1.00 0.00 C ATOM 85 CG GLN A 9 2.130 14.669 -7.691 1.00 0.00 C ATOM 86 CD GLN A 9 3.253 15.226 -8.543 1.00 0.00 C ATOM 87 OE1 GLN A 9 4.335 15.530 -8.043 1.00 0.00 O ATOM 88 NE2 GLN A 9 3.001 15.363 -9.840 1.00 0.00 N ATOM 0 H GLN A 9 3.100 17.188 -7.373 1.00 0.00 H new ATOM 0 HA GLN A 9 0.259 17.375 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.069 15.058 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.716 16.004 -8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.508 14.461 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.798 13.719 -8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.089 15.098 -10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.719 15.733 -10.463 1.00 0.00 H new ATOM 97 N ILE A 10 0.533 15.786 -4.531 1.00 0.00 N ATOM 98 CA ILE A 10 0.744 15.259 -3.188 1.00 0.00 C ATOM 99 C ILE A 10 0.031 13.924 -3.003 1.00 0.00 C ATOM 100 O ILE A 10 -0.818 13.546 -3.810 1.00 0.00 O ATOM 101 CB ILE A 10 0.253 16.245 -2.112 1.00 0.00 C ATOM 102 CG1 ILE A 10 -1.245 16.508 -2.276 1.00 0.00 C ATOM 103 CG2 ILE A 10 1.037 17.547 -2.189 1.00 0.00 C ATOM 104 CD1 ILE A 10 -1.937 16.890 -0.987 1.00 0.00 C ATOM 0 H ILE A 10 -0.434 15.745 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 10 1.818 15.113 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 10 0.419 15.801 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.388 17.305 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.720 15.615 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.678 18.234 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.096 17.344 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.899 17.997 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.996 17.061 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.826 16.084 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.489 17.800 -0.589 1.00 0.00 H new ATOM 116 N ASP A 11 0.380 13.217 -1.934 1.00 0.00 N ATOM 117 CA ASP A 11 -0.230 11.924 -1.640 1.00 0.00 C ATOM 118 C ASP A 11 -0.851 11.921 -0.247 1.00 0.00 C ATOM 119 O ASP A 11 -0.584 12.807 0.565 1.00 0.00 O ATOM 120 CB ASP A 11 0.812 10.809 -1.751 1.00 0.00 C ATOM 121 CG ASP A 11 0.184 9.429 -1.735 1.00 0.00 C ATOM 122 OD1 ASP A 11 -0.703 9.170 -2.576 1.00 0.00 O ATOM 123 OD2 ASP A 11 0.581 8.607 -0.883 1.00 0.00 O ATOM 0 H ASP A 11 1.081 13.516 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.020 11.747 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.380 10.936 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.520 10.893 -0.926 1.00 0.00 H new ATOM 128 N SER A 12 -1.682 10.919 0.023 1.00 0.00 N ATOM 129 CA SER A 12 -2.345 10.803 1.316 1.00 0.00 C ATOM 130 C SER A 12 -1.792 9.621 2.106 1.00 0.00 C ATOM 131 O SER A 12 -1.074 8.780 1.565 1.00 0.00 O ATOM 132 CB SER A 12 -3.854 10.643 1.126 1.00 0.00 C ATOM 133 OG SER A 12 -4.146 9.591 0.222 1.00 0.00 O ATOM 0 H SER A 12 -1.912 10.176 -0.637 1.00 0.00 H new ATOM 0 HA SER A 12 -2.152 11.716 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.325 10.441 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.278 11.575 0.753 1.00 0.00 H new ATOM 0 HG SER A 12 -5.117 9.508 0.119 1.00 0.00 H new ATOM 139 N SER A 13 -2.132 9.564 3.389 1.00 0.00 N ATOM 140 CA SER A 13 -1.668 8.488 4.257 1.00 0.00 C ATOM 141 C SER A 13 -2.846 7.719 4.848 1.00 0.00 C ATOM 142 O SER A 13 -3.930 8.272 5.035 1.00 0.00 O ATOM 143 CB SER A 13 -0.795 9.050 5.380 1.00 0.00 C ATOM 144 OG SER A 13 0.277 9.815 4.859 1.00 0.00 O ATOM 0 H SER A 13 -2.728 10.251 3.851 1.00 0.00 H new ATOM 0 HA SER A 13 -1.074 7.800 3.655 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.401 9.670 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.402 8.232 5.983 1.00 0.00 H new ATOM 0 HG SER A 13 0.819 10.164 5.597 1.00 0.00 H new ATOM 150 N ARG A 14 -2.624 6.442 5.141 1.00 0.00 N ATOM 151 CA ARG A 14 -3.667 5.597 5.710 1.00 0.00 C ATOM 152 C ARG A 14 -3.095 4.677 6.785 1.00 0.00 C ATOM 153 O ARG A 14 -2.248 3.828 6.502 1.00 0.00 O ATOM 154 CB ARG A 14 -4.333 4.765 4.614 1.00 0.00 C ATOM 155 CG ARG A 14 -4.917 5.599 3.485 1.00 0.00 C ATOM 156 CD ARG A 14 -6.272 6.176 3.863 1.00 0.00 C ATOM 157 NE ARG A 14 -6.980 6.715 2.704 1.00 0.00 N ATOM 158 CZ ARG A 14 -7.452 5.962 1.716 1.00 0.00 C ATOM 159 NH1 ARG A 14 -7.291 4.647 1.747 1.00 0.00 N ATOM 160 NH2 ARG A 14 -8.085 6.526 0.696 1.00 0.00 N ATOM 0 H ARG A 14 -1.732 5.970 4.994 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.414 6.244 6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.601 4.072 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.126 4.164 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.231 6.409 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.019 4.983 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.879 5.400 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.137 6.964 4.604 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.120 7.724 2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.804 4.211 2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.654 4.071 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.210 7.538 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.447 5.948 -0.062 1.00 0.00 H new ATOM 174 N ILE A 15 -3.561 4.853 8.016 1.00 0.00 N ATOM 175 CA ILE A 15 -3.097 4.037 9.132 1.00 0.00 C ATOM 176 C ILE A 15 -4.132 2.985 9.513 1.00 0.00 C ATOM 177 O ILE A 15 -5.208 3.312 10.014 1.00 0.00 O ATOM 178 CB ILE A 15 -2.781 4.903 10.367 1.00 0.00 C ATOM 179 CG1 ILE A 15 -1.729 5.959 10.022 1.00 0.00 C ATOM 180 CG2 ILE A 15 -2.305 4.028 11.517 1.00 0.00 C ATOM 181 CD1 ILE A 15 -0.396 5.373 9.613 1.00 0.00 C ATOM 0 H ILE A 15 -4.259 5.553 8.267 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.184 3.540 8.802 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.692 5.415 10.677 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.106 6.584 9.212 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.582 6.609 10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.085 4.653 12.383 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.084 3.311 11.775 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.404 3.493 11.218 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.301 6.179 9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.003 4.771 10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.529 4.746 8.731 1.00 0.00 H new ATOM 193 N ARG A 16 -3.798 1.721 9.275 1.00 0.00 N ATOM 194 CA ARG A 16 -4.699 0.620 9.594 1.00 0.00 C ATOM 195 C ARG A 16 -4.787 0.409 11.102 1.00 0.00 C ATOM 196 O ARG A 16 -3.859 -0.110 11.722 1.00 0.00 O ATOM 197 CB ARG A 16 -4.226 -0.666 8.915 1.00 0.00 C ATOM 198 CG ARG A 16 -2.788 -1.035 9.244 1.00 0.00 C ATOM 199 CD ARG A 16 -1.861 -0.759 8.071 1.00 0.00 C ATOM 200 NE ARG A 16 -0.473 -1.091 8.381 1.00 0.00 N ATOM 201 CZ ARG A 16 0.335 -0.297 9.074 1.00 0.00 C ATOM 202 NH1 ARG A 16 -0.103 0.869 9.526 1.00 0.00 N ATOM 203 NH2 ARG A 16 1.586 -0.669 9.315 1.00 0.00 N ATOM 0 H ARG A 16 -2.910 1.434 8.863 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.691 0.876 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.880 -1.486 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.326 -0.555 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.455 -0.468 10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.734 -2.090 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.188 -1.337 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.929 0.293 7.795 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.104 -1.981 8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.063 1.159 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.520 1.476 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.927 -1.565 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.206 -0.059 9.847 1.00 0.00 H new ATOM 217 N SER A 17 -5.909 0.816 11.687 1.00 0.00 N ATOM 218 CA SER A 17 -6.117 0.676 13.124 1.00 0.00 C ATOM 219 C SER A 17 -6.943 -0.568 13.435 1.00 0.00 C ATOM 220 O SER A 17 -6.436 -1.542 13.991 1.00 0.00 O ATOM 221 CB SER A 17 -6.814 1.918 13.684 1.00 0.00 C ATOM 222 OG SER A 17 -5.869 2.872 14.138 1.00 0.00 O ATOM 0 H SER A 17 -6.688 1.245 11.188 1.00 0.00 H new ATOM 0 HA SER A 17 -5.141 0.571 13.598 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.444 2.363 12.914 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.470 1.631 14.506 1.00 0.00 H new ATOM 0 HG SER A 17 -6.339 3.657 14.489 1.00 0.00 H new ATOM 228 N HIS A 18 -8.222 -0.527 13.072 1.00 0.00 N ATOM 229 CA HIS A 18 -9.120 -1.650 13.310 1.00 0.00 C ATOM 230 C HIS A 18 -8.530 -2.945 12.759 1.00 0.00 C ATOM 231 O HIS A 18 -8.504 -3.160 11.547 1.00 0.00 O ATOM 232 CB HIS A 18 -10.484 -1.385 12.670 1.00 0.00 C ATOM 233 CG HIS A 18 -11.349 -0.459 13.468 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.614 -0.797 13.899 1.00 0.00 N ATOM 235 CD2 HIS A 18 -11.124 0.799 13.914 1.00 0.00 C ATOM 236 CE1 HIS A 18 -13.132 0.215 14.574 1.00 0.00 C ATOM 237 NE2 HIS A 18 -12.247 1.195 14.598 1.00 0.00 N ATOM 0 H HIS A 18 -8.659 0.272 12.612 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.247 -1.759 14.387 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.334 -0.963 11.676 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.005 -2.333 12.539 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.228 1.383 13.761 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.112 0.237 15.028 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.377 2.100 15.051 1.00 0.00 H new ATOM 245 N ILE A 19 -8.057 -3.803 13.657 1.00 0.00 N ATOM 246 CA ILE A 19 -7.467 -5.075 13.260 1.00 0.00 C ATOM 247 C ILE A 19 -8.530 -6.163 13.147 1.00 0.00 C ATOM 248 O ILE A 19 -9.579 -6.091 13.790 1.00 0.00 O ATOM 249 CB ILE A 19 -6.387 -5.532 14.259 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.639 -4.322 14.823 1.00 0.00 C ATOM 251 CG2 ILE A 19 -5.419 -6.495 13.590 1.00 0.00 C ATOM 252 CD1 ILE A 19 -6.297 -3.720 16.046 1.00 0.00 C ATOM 0 H ILE A 19 -8.071 -3.640 14.664 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.006 -4.917 12.285 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.873 -6.052 15.084 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.622 -4.620 15.077 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.563 -3.559 14.049 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.662 -6.808 14.309 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.964 -7.369 13.233 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.936 -5.999 12.748 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.712 -2.867 16.391 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.304 -3.390 15.792 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.349 -4.468 16.837 1.00 0.00 H new ATOM 264 N CYS A 20 -8.253 -7.170 12.327 1.00 0.00 N ATOM 265 CA CYS A 20 -9.185 -8.275 12.129 1.00 0.00 C ATOM 266 C CYS A 20 -9.258 -9.154 13.374 1.00 0.00 C ATOM 267 O CYS A 20 -8.233 -9.564 13.918 1.00 0.00 O ATOM 268 CB CYS A 20 -8.763 -9.115 10.922 1.00 0.00 C ATOM 269 SG CYS A 20 -9.513 -10.774 10.873 1.00 0.00 S ATOM 0 H CYS A 20 -7.390 -7.245 11.788 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.174 -7.855 11.943 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.029 -8.581 10.010 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.678 -9.218 10.926 1.00 0.00 H new ATOM 274 N SER A 21 -10.477 -9.439 13.819 1.00 0.00 N ATOM 275 CA SER A 21 -10.686 -10.266 15.001 1.00 0.00 C ATOM 276 C SER A 21 -10.219 -11.698 14.753 1.00 0.00 C ATOM 277 O SER A 21 -9.605 -12.323 15.618 1.00 0.00 O ATOM 278 CB SER A 21 -12.163 -10.262 15.400 1.00 0.00 C ATOM 279 OG SER A 21 -12.319 -10.519 16.785 1.00 0.00 O ATOM 0 H SER A 21 -11.336 -9.109 13.378 1.00 0.00 H new ATOM 0 HA SER A 21 -10.096 -9.845 15.815 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.607 -9.297 15.154 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.700 -11.016 14.824 1.00 0.00 H new ATOM 0 HG SER A 21 -13.272 -10.509 17.014 1.00 0.00 H new ATOM 285 N HIS A 22 -10.515 -12.211 13.562 1.00 0.00 N ATOM 286 CA HIS A 22 -10.125 -13.569 13.198 1.00 0.00 C ATOM 287 C HIS A 22 -8.622 -13.767 13.369 1.00 0.00 C ATOM 288 O HIS A 22 -7.806 -13.096 12.738 1.00 0.00 O ATOM 289 CB HIS A 22 -10.529 -13.867 11.753 1.00 0.00 C ATOM 290 CG HIS A 22 -10.829 -15.312 11.500 1.00 0.00 C ATOM 291 ND1 HIS A 22 -12.056 -15.882 11.762 1.00 0.00 N ATOM 292 CD2 HIS A 22 -10.051 -16.305 11.006 1.00 0.00 C ATOM 293 CE1 HIS A 22 -12.021 -17.164 11.441 1.00 0.00 C ATOM 294 NE2 HIS A 22 -10.816 -17.445 10.979 1.00 0.00 N ATOM 0 H HIS A 22 -11.023 -11.708 12.834 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.643 -14.260 13.863 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.407 -13.273 11.500 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.726 -13.549 11.087 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.021 -16.217 10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.839 -17.863 11.540 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.504 -18.360 10.655 1.00 0.00 H new ATOM 302 N PRO A 23 -8.246 -14.711 14.246 1.00 0.00 N ATOM 303 CA PRO A 23 -6.841 -15.020 14.522 1.00 0.00 C ATOM 304 C PRO A 23 -6.155 -15.703 13.343 1.00 0.00 C ATOM 305 O PRO A 23 -6.810 -16.315 12.501 1.00 0.00 O ATOM 306 CB PRO A 23 -6.914 -15.969 15.721 1.00 0.00 C ATOM 307 CG PRO A 23 -8.262 -16.597 15.625 1.00 0.00 C ATOM 308 CD PRO A 23 -9.165 -15.549 15.034 1.00 0.00 C ATOM 0 HA PRO A 23 -6.256 -14.120 14.709 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.124 -16.719 15.681 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.794 -15.430 16.661 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.234 -17.487 14.997 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.618 -16.910 16.607 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.940 -15.993 14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.671 -14.972 15.808 1.00 0.00 H new ATOM 316 N GLY A 24 -4.830 -15.594 13.291 1.00 0.00 N ATOM 317 CA GLY A 24 -4.078 -16.206 12.211 1.00 0.00 C ATOM 318 C GLY A 24 -4.134 -15.395 10.932 1.00 0.00 C ATOM 319 O GLY A 24 -3.122 -15.218 10.254 1.00 0.00 O ATOM 0 H GLY A 24 -4.265 -15.093 13.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.039 -16.324 12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.469 -17.205 12.021 1.00 0.00 H new ATOM 323 N CYS A 25 -5.322 -14.901 10.599 1.00 0.00 N ATOM 324 CA CYS A 25 -5.509 -14.106 9.391 1.00 0.00 C ATOM 325 C CYS A 25 -4.483 -12.979 9.319 1.00 0.00 C ATOM 326 O CYS A 25 -3.614 -12.971 8.447 1.00 0.00 O ATOM 327 CB CYS A 25 -6.924 -13.526 9.351 1.00 0.00 C ATOM 328 SG CYS A 25 -7.105 -12.081 8.255 1.00 0.00 S ATOM 0 H CYS A 25 -6.170 -15.037 11.149 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.367 -14.759 8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.615 -14.304 9.026 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.217 -13.241 10.361 1.00 0.00 H new ATOM 333 N GLY A 26 -4.590 -12.027 10.241 1.00 0.00 N ATOM 334 CA GLY A 26 -3.666 -10.908 10.264 1.00 0.00 C ATOM 335 C GLY A 26 -4.016 -9.846 9.240 1.00 0.00 C ATOM 336 O GLY A 26 -3.339 -9.708 8.222 1.00 0.00 O ATOM 0 H GLY A 26 -5.300 -12.011 10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.664 -10.463 11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.656 -11.271 10.076 1.00 0.00 H new ATOM 340 N LYS A 27 -5.076 -9.094 9.511 1.00 0.00 N ATOM 341 CA LYS A 27 -5.516 -8.038 8.606 1.00 0.00 C ATOM 342 C LYS A 27 -5.887 -6.777 9.380 1.00 0.00 C ATOM 343 O LYS A 27 -6.171 -6.832 10.578 1.00 0.00 O ATOM 344 CB LYS A 27 -6.714 -8.512 7.780 1.00 0.00 C ATOM 345 CG LYS A 27 -6.790 -7.880 6.401 1.00 0.00 C ATOM 346 CD LYS A 27 -5.813 -8.530 5.435 1.00 0.00 C ATOM 347 CE LYS A 27 -4.473 -7.812 5.432 1.00 0.00 C ATOM 348 NZ LYS A 27 -3.806 -7.890 4.102 1.00 0.00 N ATOM 0 H LYS A 27 -5.647 -9.195 10.350 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.690 -7.802 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.664 -9.595 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.631 -8.288 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.804 -7.974 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.574 -6.814 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.667 -9.574 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.234 -8.522 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.620 -6.767 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.824 -8.250 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.895 -7.389 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.643 -8.887 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.414 -7.449 3.382 1.00 0.00 H new ATOM 362 N THR A 28 -5.884 -5.641 8.689 1.00 0.00 N ATOM 363 CA THR A 28 -6.219 -4.367 9.312 1.00 0.00 C ATOM 364 C THR A 28 -6.598 -3.327 8.265 1.00 0.00 C ATOM 365 O THR A 28 -6.140 -3.385 7.124 1.00 0.00 O ATOM 366 CB THR A 28 -5.048 -3.828 10.155 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.433 -4.897 10.882 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.527 -2.758 11.125 1.00 0.00 C ATOM 0 H THR A 28 -5.653 -5.578 7.697 1.00 0.00 H new ATOM 0 HA THR A 28 -7.072 -4.549 9.965 1.00 0.00 H new ATOM 0 HB THR A 28 -4.318 -3.383 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.689 -4.545 11.414 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.683 -2.392 11.709 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.967 -1.932 10.567 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.275 -3.182 11.795 1.00 0.00 H new ATOM 376 N TYR A 29 -7.438 -2.376 8.661 1.00 0.00 N ATOM 377 CA TYR A 29 -7.880 -1.322 7.754 1.00 0.00 C ATOM 378 C TYR A 29 -8.192 -0.039 8.520 1.00 0.00 C ATOM 379 O TYR A 29 -8.951 -0.050 9.489 1.00 0.00 O ATOM 380 CB TYR A 29 -9.116 -1.776 6.975 1.00 0.00 C ATOM 381 CG TYR A 29 -8.927 -3.092 6.255 1.00 0.00 C ATOM 382 CD1 TYR A 29 -8.408 -3.134 4.968 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.268 -4.295 6.864 1.00 0.00 C ATOM 384 CE1 TYR A 29 -8.235 -4.334 4.306 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.097 -5.500 6.210 1.00 0.00 C ATOM 386 CZ TYR A 29 -8.580 -5.514 4.931 1.00 0.00 C ATOM 387 OH TYR A 29 -8.408 -6.712 4.276 1.00 0.00 O ATOM 0 H TYR A 29 -7.826 -2.313 9.602 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.071 -1.118 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.957 -1.865 7.663 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.379 -1.008 6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.135 -2.212 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.673 -4.287 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.832 -4.348 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.366 -6.425 6.697 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.092 -7.348 4.573 1.00 0.00 H new ATOM 397 N PHE A 30 -7.599 1.065 8.078 1.00 0.00 N ATOM 398 CA PHE A 30 -7.811 2.356 8.721 1.00 0.00 C ATOM 399 C PHE A 30 -9.300 2.636 8.900 1.00 0.00 C ATOM 400 O PHE A 30 -9.713 3.259 9.879 1.00 0.00 O ATOM 401 CB PHE A 30 -7.166 3.472 7.897 1.00 0.00 C ATOM 402 CG PHE A 30 -8.091 4.074 6.878 1.00 0.00 C ATOM 403 CD1 PHE A 30 -8.974 5.081 7.234 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.076 3.636 5.564 1.00 0.00 C ATOM 405 CE1 PHE A 30 -9.826 5.637 6.298 1.00 0.00 C ATOM 406 CE2 PHE A 30 -8.925 4.188 4.623 1.00 0.00 C ATOM 407 CZ PHE A 30 -9.801 5.190 4.992 1.00 0.00 C ATOM 0 H PHE A 30 -6.968 1.091 7.277 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.344 2.325 9.705 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.820 4.256 8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.286 3.076 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.997 5.435 8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.392 2.853 5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.511 6.420 6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.903 3.837 3.602 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.466 5.623 4.260 1.00 0.00 H new ATOM 417 N LYS A 31 -10.102 2.172 7.948 1.00 0.00 N ATOM 418 CA LYS A 31 -11.546 2.370 7.999 1.00 0.00 C ATOM 419 C LYS A 31 -12.167 1.563 9.135 1.00 0.00 C ATOM 420 O LYS A 31 -12.356 0.353 9.018 1.00 0.00 O ATOM 421 CB LYS A 31 -12.184 1.969 6.667 1.00 0.00 C ATOM 422 CG LYS A 31 -12.325 3.122 5.688 1.00 0.00 C ATOM 423 CD LYS A 31 -13.606 3.903 5.930 1.00 0.00 C ATOM 424 CE LYS A 31 -13.665 5.155 5.066 1.00 0.00 C ATOM 425 NZ LYS A 31 -14.132 4.854 3.685 1.00 0.00 N ATOM 0 H LYS A 31 -9.776 1.656 7.131 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.736 3.428 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.583 1.185 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.169 1.544 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.468 3.788 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.319 2.738 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.466 3.269 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.671 4.182 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.335 5.882 5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.677 5.614 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.158 5.732 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.479 4.180 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.085 4.440 3.723 1.00 0.00 H new ATOM 439 N SER A 32 -12.481 2.242 10.234 1.00 0.00 N ATOM 440 CA SER A 32 -13.078 1.589 11.392 1.00 0.00 C ATOM 441 C SER A 32 -14.181 0.626 10.963 1.00 0.00 C ATOM 442 O SER A 32 -14.248 -0.509 11.437 1.00 0.00 O ATOM 443 CB SER A 32 -13.643 2.632 12.358 1.00 0.00 C ATOM 444 OG SER A 32 -14.457 3.571 11.676 1.00 0.00 O ATOM 0 H SER A 32 -12.331 3.245 10.346 1.00 0.00 H new ATOM 0 HA SER A 32 -12.299 1.020 11.899 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.227 2.136 13.133 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.825 3.151 12.858 1.00 0.00 H new ATOM 0 HG SER A 32 -14.807 4.226 12.316 1.00 0.00 H new ATOM 450 N SER A 33 -15.044 1.086 10.063 1.00 0.00 N ATOM 451 CA SER A 33 -16.146 0.269 9.572 1.00 0.00 C ATOM 452 C SER A 33 -15.628 -0.899 8.739 1.00 0.00 C ATOM 453 O SER A 33 -15.947 -2.058 9.007 1.00 0.00 O ATOM 454 CB SER A 33 -17.108 1.118 8.739 1.00 0.00 C ATOM 455 OG SER A 33 -16.415 1.828 7.727 1.00 0.00 O ATOM 0 H SER A 33 -15.001 2.022 9.659 1.00 0.00 H new ATOM 0 HA SER A 33 -16.680 -0.131 10.434 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.864 0.477 8.285 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.632 1.821 9.387 1.00 0.00 H new ATOM 0 HG SER A 33 -17.052 2.362 7.207 1.00 0.00 H new ATOM 461 N HIS A 34 -14.827 -0.585 7.726 1.00 0.00 N ATOM 462 CA HIS A 34 -14.262 -1.607 6.852 1.00 0.00 C ATOM 463 C HIS A 34 -13.948 -2.878 7.635 1.00 0.00 C ATOM 464 O HIS A 34 -14.551 -3.927 7.404 1.00 0.00 O ATOM 465 CB HIS A 34 -12.995 -1.085 6.174 1.00 0.00 C ATOM 466 CG HIS A 34 -13.265 -0.266 4.950 1.00 0.00 C ATOM 467 ND1 HIS A 34 -12.421 -0.242 3.859 1.00 0.00 N ATOM 468 CD2 HIS A 34 -14.292 0.561 4.647 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.917 0.566 2.940 1.00 0.00 C ATOM 470 NE2 HIS A 34 -14.053 1.066 3.392 1.00 0.00 N ATOM 0 H HIS A 34 -14.554 0.369 7.490 1.00 0.00 H new ATOM 0 HA HIS A 34 -15.001 -1.846 6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.433 -0.483 6.888 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.363 -1.931 5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.142 0.783 5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.470 0.782 1.981 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.654 1.720 2.891 1.00 0.00 H new ATOM 478 N LEU A 35 -13.001 -2.777 8.562 1.00 0.00 N ATOM 479 CA LEU A 35 -12.606 -3.920 9.379 1.00 0.00 C ATOM 480 C LEU A 35 -13.796 -4.835 9.647 1.00 0.00 C ATOM 481 O LEU A 35 -13.853 -5.959 9.148 1.00 0.00 O ATOM 482 CB LEU A 35 -12.008 -3.441 10.704 1.00 0.00 C ATOM 483 CG LEU A 35 -12.124 -4.410 11.881 1.00 0.00 C ATOM 484 CD1 LEU A 35 -13.380 -4.120 12.687 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.123 -5.850 11.389 1.00 0.00 C ATOM 0 H LEU A 35 -12.493 -1.916 8.767 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.853 -4.486 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.953 -3.219 10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.492 -2.505 10.981 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.260 -4.270 12.530 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.447 -4.819 13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.339 -3.101 13.071 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.256 -4.232 12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.206 -6.525 12.240 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.968 -6.006 10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.194 -6.052 10.855 1.00 0.00 H new ATOM 497 N LYS A 36 -14.746 -4.346 10.438 1.00 0.00 N ATOM 498 CA LYS A 36 -15.938 -5.118 10.770 1.00 0.00 C ATOM 499 C LYS A 36 -16.392 -5.956 9.580 1.00 0.00 C ATOM 500 O LYS A 36 -16.690 -7.142 9.722 1.00 0.00 O ATOM 501 CB LYS A 36 -17.068 -4.185 11.211 1.00 0.00 C ATOM 502 CG LYS A 36 -16.821 -3.524 12.556 1.00 0.00 C ATOM 503 CD LYS A 36 -18.019 -2.701 13.001 1.00 0.00 C ATOM 504 CE LYS A 36 -17.952 -2.378 14.486 1.00 0.00 C ATOM 505 NZ LYS A 36 -18.159 -3.591 15.326 1.00 0.00 N ATOM 0 H LYS A 36 -14.713 -3.418 10.861 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.688 -5.790 11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.205 -3.412 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.998 -4.752 11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.605 -4.287 13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.942 -2.883 12.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.059 -1.775 12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.937 -3.248 12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.983 -1.936 14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.709 -1.633 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.410 -3.304 16.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.928 -4.164 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.284 -4.152 15.347 1.00 0.00 H new ATOM 519 N ALA A 37 -16.442 -5.334 8.407 1.00 0.00 N ATOM 520 CA ALA A 37 -16.857 -6.025 7.192 1.00 0.00 C ATOM 521 C ALA A 37 -15.911 -7.176 6.866 1.00 0.00 C ATOM 522 O ALA A 37 -16.335 -8.326 6.749 1.00 0.00 O ATOM 523 CB ALA A 37 -16.924 -5.048 6.027 1.00 0.00 C ATOM 0 H ALA A 37 -16.200 -4.352 8.272 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.850 -6.442 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.235 -5.577 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.644 -4.261 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.941 -4.605 5.867 1.00 0.00 H new ATOM 529 N HIS A 38 -14.629 -6.859 6.718 1.00 0.00 N ATOM 530 CA HIS A 38 -13.623 -7.867 6.404 1.00 0.00 C ATOM 531 C HIS A 38 -13.816 -9.113 7.265 1.00 0.00 C ATOM 532 O HIS A 38 -13.351 -10.199 6.917 1.00 0.00 O ATOM 533 CB HIS A 38 -12.219 -7.301 6.613 1.00 0.00 C ATOM 534 CG HIS A 38 -11.167 -8.354 6.784 1.00 0.00 C ATOM 535 ND1 HIS A 38 -10.422 -8.849 5.735 1.00 0.00 N ATOM 536 CD2 HIS A 38 -10.736 -9.004 7.890 1.00 0.00 C ATOM 537 CE1 HIS A 38 -9.580 -9.760 6.189 1.00 0.00 C ATOM 538 NE2 HIS A 38 -9.750 -9.873 7.493 1.00 0.00 N ATOM 0 H HIS A 38 -14.262 -5.912 6.810 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.740 -8.148 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.958 -6.674 5.760 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.223 -6.657 7.493 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -10.507 -8.558 4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.100 -8.865 8.897 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.872 -10.318 5.594 1.00 0.00 H new ATOM 546 N THR A 39 -14.503 -8.947 8.390 1.00 0.00 N ATOM 547 CA THR A 39 -14.755 -10.056 9.302 1.00 0.00 C ATOM 548 C THR A 39 -16.071 -10.752 8.972 1.00 0.00 C ATOM 549 O THR A 39 -16.157 -11.979 8.993 1.00 0.00 O ATOM 550 CB THR A 39 -14.793 -9.582 10.767 1.00 0.00 C ATOM 551 OG1 THR A 39 -13.606 -8.840 11.072 1.00 0.00 O ATOM 552 CG2 THR A 39 -14.916 -10.764 11.716 1.00 0.00 C ATOM 0 H THR A 39 -14.895 -8.055 8.692 1.00 0.00 H new ATOM 0 HA THR A 39 -13.933 -10.760 9.176 1.00 0.00 H new ATOM 0 HB THR A 39 -15.665 -8.941 10.896 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.638 -8.540 12.005 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.941 -10.404 12.744 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.835 -11.310 11.500 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.061 -11.427 11.584 1.00 0.00 H new ATOM 560 N ARG A 40 -17.093 -9.959 8.665 1.00 0.00 N ATOM 561 CA ARG A 40 -18.404 -10.500 8.330 1.00 0.00 C ATOM 562 C ARG A 40 -18.323 -11.404 7.103 1.00 0.00 C ATOM 563 O ARG A 40 -19.280 -12.102 6.768 1.00 0.00 O ATOM 564 CB ARG A 40 -19.398 -9.365 8.075 1.00 0.00 C ATOM 565 CG ARG A 40 -19.343 -8.814 6.659 1.00 0.00 C ATOM 566 CD ARG A 40 -20.617 -8.065 6.304 1.00 0.00 C ATOM 567 NE ARG A 40 -20.525 -6.643 6.627 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.582 -5.855 6.786 1.00 0.00 C ATOM 569 NH1 ARG A 40 -22.806 -6.348 6.653 1.00 0.00 N ATOM 570 NH2 ARG A 40 -21.417 -4.572 7.079 1.00 0.00 N ATOM 0 H ARG A 40 -17.038 -8.941 8.642 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.750 -11.094 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.407 -9.725 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.201 -8.556 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.487 -8.146 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.192 -9.632 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.822 -8.182 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.458 -8.505 6.841 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.598 -6.233 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.937 -7.334 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.616 -5.741 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.477 -4.189 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.230 -3.968 7.201 1.00 0.00 H new ATOM 584 N THR A 41 -17.173 -11.385 6.437 1.00 0.00 N ATOM 585 CA THR A 41 -16.967 -12.201 5.246 1.00 0.00 C ATOM 586 C THR A 41 -16.282 -13.517 5.595 1.00 0.00 C ATOM 587 O THR A 41 -16.445 -14.518 4.895 1.00 0.00 O ATOM 588 CB THR A 41 -16.122 -11.458 4.195 1.00 0.00 C ATOM 589 OG1 THR A 41 -15.955 -12.276 3.032 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.759 -11.088 4.760 1.00 0.00 C ATOM 0 H THR A 41 -16.370 -10.814 6.702 1.00 0.00 H new ATOM 0 HA THR A 41 -17.953 -12.406 4.828 1.00 0.00 H new ATOM 0 HB THR A 41 -16.646 -10.542 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.418 -11.795 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.180 -10.564 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.888 -10.441 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.231 -11.994 5.058 1.00 0.00 H new ATOM 598 N HIS A 42 -15.515 -13.511 6.680 1.00 0.00 N ATOM 599 CA HIS A 42 -14.805 -14.707 7.122 1.00 0.00 C ATOM 600 C HIS A 42 -15.780 -15.853 7.376 1.00 0.00 C ATOM 601 O HIS A 42 -15.478 -17.014 7.095 1.00 0.00 O ATOM 602 CB HIS A 42 -14.006 -14.411 8.391 1.00 0.00 C ATOM 603 CG HIS A 42 -12.628 -13.890 8.122 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.807 -14.404 7.140 1.00 0.00 N ATOM 605 CD2 HIS A 42 -11.927 -12.893 8.712 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.660 -13.747 7.139 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.708 -12.824 8.083 1.00 0.00 N ATOM 0 H HIS A 42 -15.369 -12.692 7.270 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.118 -15.006 6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.550 -13.682 8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.932 -15.322 8.985 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.047 -15.171 6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.264 -12.268 9.526 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.826 -13.933 6.479 1.00 0.00 H new ATOM 615 N THR A 43 -16.950 -15.522 7.911 1.00 0.00 N ATOM 616 CA THR A 43 -17.968 -16.523 8.205 1.00 0.00 C ATOM 617 C THR A 43 -17.991 -17.613 7.139 1.00 0.00 C ATOM 618 O THR A 43 -18.120 -18.796 7.451 1.00 0.00 O ATOM 619 CB THR A 43 -19.368 -15.890 8.305 1.00 0.00 C ATOM 620 OG1 THR A 43 -19.691 -15.220 7.081 1.00 0.00 O ATOM 621 CG2 THR A 43 -19.435 -14.903 9.461 1.00 0.00 C ATOM 0 H THR A 43 -17.217 -14.567 8.150 1.00 0.00 H new ATOM 0 HA THR A 43 -17.708 -16.964 9.167 1.00 0.00 H new ATOM 0 HB THR A 43 -20.090 -16.686 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.500 -14.263 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 43 -20.434 -14.469 9.511 1.00 0.00 H new ATOM 0 HG22 THR A 43 -19.217 -15.421 10.395 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.702 -14.111 9.306 1.00 0.00 H new ATOM 629 N GLY A 44 -17.862 -17.206 5.881 1.00 0.00 N ATOM 630 CA GLY A 44 -17.870 -18.161 4.788 1.00 0.00 C ATOM 631 C GLY A 44 -16.669 -18.009 3.876 1.00 0.00 C ATOM 632 O GLY A 44 -16.495 -16.972 3.237 1.00 0.00 O ATOM 0 H GLY A 44 -17.752 -16.232 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.888 -19.173 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.783 -18.034 4.206 1.00 0.00 H new ATOM 636 N GLU A 45 -15.838 -19.045 3.816 1.00 0.00 N ATOM 637 CA GLU A 45 -14.645 -19.019 2.977 1.00 0.00 C ATOM 638 C GLU A 45 -14.966 -19.490 1.561 1.00 0.00 C ATOM 639 O GLU A 45 -16.045 -20.023 1.302 1.00 0.00 O ATOM 640 CB GLU A 45 -13.549 -19.898 3.584 1.00 0.00 C ATOM 641 CG GLU A 45 -12.680 -19.175 4.598 1.00 0.00 C ATOM 642 CD GLU A 45 -13.488 -18.309 5.547 1.00 0.00 C ATOM 643 OE1 GLU A 45 -13.942 -17.227 5.122 1.00 0.00 O ATOM 644 OE2 GLU A 45 -13.665 -18.717 6.714 1.00 0.00 O ATOM 0 H GLU A 45 -15.969 -19.912 4.338 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.289 -17.990 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.011 -20.761 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.916 -20.280 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.114 -19.907 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.955 -18.553 4.072 1.00 0.00 H new ATOM 651 N LYS A 46 -14.021 -19.290 0.649 1.00 0.00 N ATOM 652 CA LYS A 46 -14.200 -19.693 -0.740 1.00 0.00 C ATOM 653 C LYS A 46 -13.452 -20.990 -1.030 1.00 0.00 C ATOM 654 O LYS A 46 -12.225 -21.018 -1.136 1.00 0.00 O ATOM 655 CB LYS A 46 -13.711 -18.589 -1.681 1.00 0.00 C ATOM 656 CG LYS A 46 -14.299 -17.223 -1.372 1.00 0.00 C ATOM 657 CD LYS A 46 -13.442 -16.106 -1.942 1.00 0.00 C ATOM 658 CE LYS A 46 -14.200 -14.787 -1.982 1.00 0.00 C ATOM 659 NZ LYS A 46 -14.974 -14.631 -3.245 1.00 0.00 N ATOM 0 H LYS A 46 -13.122 -18.851 0.848 1.00 0.00 H new ATOM 0 HA LYS A 46 -15.264 -19.861 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.624 -18.529 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.962 -18.860 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.306 -17.157 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.388 -17.100 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.542 -15.992 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.118 -16.372 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.879 -14.732 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.496 -13.960 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.366 -13.669 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.347 -14.793 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.751 -15.322 -3.264 1.00 0.00 H new ATOM 673 N PRO A 47 -14.205 -22.092 -1.163 1.00 0.00 N ATOM 674 CA PRO A 47 -13.634 -23.412 -1.445 1.00 0.00 C ATOM 675 C PRO A 47 -13.069 -23.510 -2.858 1.00 0.00 C ATOM 676 O PRO A 47 -11.942 -23.965 -3.057 1.00 0.00 O ATOM 677 CB PRO A 47 -14.827 -24.358 -1.279 1.00 0.00 C ATOM 678 CG PRO A 47 -16.022 -23.509 -1.546 1.00 0.00 C ATOM 679 CD PRO A 47 -15.672 -22.134 -1.048 1.00 0.00 C ATOM 0 HA PRO A 47 -12.796 -23.642 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.770 -25.193 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.859 -24.783 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.258 -23.490 -2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.900 -23.899 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.144 -21.357 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.999 -21.984 -0.019 1.00 0.00 H new ATOM 687 N PHE A 48 -13.858 -23.080 -3.837 1.00 0.00 N ATOM 688 CA PHE A 48 -13.437 -23.120 -5.232 1.00 0.00 C ATOM 689 C PHE A 48 -12.267 -22.171 -5.474 1.00 0.00 C ATOM 690 O PHE A 48 -12.292 -21.016 -5.048 1.00 0.00 O ATOM 691 CB PHE A 48 -14.604 -22.752 -6.150 1.00 0.00 C ATOM 692 CG PHE A 48 -15.822 -23.606 -5.943 1.00 0.00 C ATOM 693 CD1 PHE A 48 -15.978 -24.795 -6.636 1.00 0.00 C ATOM 694 CD2 PHE A 48 -16.812 -23.219 -5.053 1.00 0.00 C ATOM 695 CE1 PHE A 48 -17.097 -25.583 -6.448 1.00 0.00 C ATOM 696 CE2 PHE A 48 -17.933 -24.004 -4.860 1.00 0.00 C ATOM 697 CZ PHE A 48 -18.077 -25.187 -5.558 1.00 0.00 C ATOM 0 H PHE A 48 -14.793 -22.700 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.112 -24.136 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.870 -21.708 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.281 -22.839 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.215 -25.110 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.706 -22.295 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -17.206 -26.507 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -18.697 -23.692 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 48 -18.953 -25.801 -5.409 1.00 0.00 H new ATOM 707 N SER A 49 -11.242 -22.667 -6.159 1.00 0.00 N ATOM 708 CA SER A 49 -10.060 -21.866 -6.454 1.00 0.00 C ATOM 709 C SER A 49 -9.619 -22.060 -7.902 1.00 0.00 C ATOM 710 O SER A 49 -9.915 -23.082 -8.521 1.00 0.00 O ATOM 711 CB SER A 49 -8.917 -22.236 -5.506 1.00 0.00 C ATOM 712 OG SER A 49 -8.450 -23.550 -5.761 1.00 0.00 O ATOM 0 H SER A 49 -11.206 -23.620 -6.520 1.00 0.00 H new ATOM 0 HA SER A 49 -10.317 -20.817 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.098 -21.526 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.258 -22.161 -4.473 1.00 0.00 H new ATOM 0 HG SER A 49 -7.719 -23.763 -5.144 1.00 0.00 H new ATOM 718 N CYS A 50 -8.908 -21.073 -8.435 1.00 0.00 N ATOM 719 CA CYS A 50 -8.425 -21.133 -9.809 1.00 0.00 C ATOM 720 C CYS A 50 -7.262 -22.112 -9.935 1.00 0.00 C ATOM 721 O CYS A 50 -6.603 -22.439 -8.949 1.00 0.00 O ATOM 722 CB CYS A 50 -7.990 -19.743 -10.280 1.00 0.00 C ATOM 723 SG CYS A 50 -7.787 -19.599 -12.084 1.00 0.00 S ATOM 0 H CYS A 50 -8.653 -20.221 -7.936 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.242 -21.484 -10.440 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.727 -19.012 -9.949 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -7.047 -19.486 -9.797 1.00 0.00 H new ATOM 728 N SER A 51 -7.016 -22.576 -11.156 1.00 0.00 N ATOM 729 CA SER A 51 -5.935 -23.521 -11.411 1.00 0.00 C ATOM 730 C SER A 51 -4.599 -22.796 -11.542 1.00 0.00 C ATOM 731 O SER A 51 -3.573 -23.270 -11.056 1.00 0.00 O ATOM 732 CB SER A 51 -6.219 -24.323 -12.683 1.00 0.00 C ATOM 733 OG SER A 51 -5.647 -25.616 -12.609 1.00 0.00 O ATOM 0 H SER A 51 -7.550 -22.313 -11.984 1.00 0.00 H new ATOM 0 HA SER A 51 -5.877 -24.205 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.296 -24.406 -12.831 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.818 -23.794 -13.547 1.00 0.00 H new ATOM 0 HG SER A 51 -5.844 -26.109 -13.433 1.00 0.00 H new ATOM 739 N TRP A 52 -4.621 -21.643 -12.200 1.00 0.00 N ATOM 740 CA TRP A 52 -3.412 -20.851 -12.396 1.00 0.00 C ATOM 741 C TRP A 52 -2.703 -20.605 -11.068 1.00 0.00 C ATOM 742 O TRP A 52 -3.334 -20.248 -10.073 1.00 0.00 O ATOM 743 CB TRP A 52 -3.753 -19.517 -13.061 1.00 0.00 C ATOM 744 CG TRP A 52 -3.608 -19.543 -14.553 1.00 0.00 C ATOM 745 CD1 TRP A 52 -3.390 -18.474 -15.374 1.00 0.00 C ATOM 746 CD2 TRP A 52 -3.673 -20.695 -15.400 1.00 0.00 C ATOM 747 NE1 TRP A 52 -3.315 -18.892 -16.680 1.00 0.00 N ATOM 748 CE2 TRP A 52 -3.485 -20.250 -16.723 1.00 0.00 C ATOM 749 CE3 TRP A 52 -3.870 -22.060 -15.169 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -3.491 -21.123 -17.809 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -3.875 -22.923 -16.248 1.00 0.00 C ATOM 752 CH2 TRP A 52 -3.684 -22.453 -17.554 1.00 0.00 C ATOM 0 H TRP A 52 -5.463 -21.235 -12.607 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.741 -21.412 -13.047 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.777 -19.244 -12.807 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.106 -18.740 -12.654 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -3.291 -17.450 -15.045 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -3.158 -18.289 -17.487 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.016 -22.433 -14.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.348 -20.762 -18.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.029 -23.979 -16.082 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.689 -23.154 -18.375 1.00 0.00 H new ATOM 763 N LYS A 53 -1.388 -20.797 -11.060 1.00 0.00 N ATOM 764 CA LYS A 53 -0.592 -20.593 -9.855 1.00 0.00 C ATOM 765 C LYS A 53 -0.538 -19.116 -9.482 1.00 0.00 C ATOM 766 O LYS A 53 -1.047 -18.710 -8.438 1.00 0.00 O ATOM 767 CB LYS A 53 0.826 -21.132 -10.060 1.00 0.00 C ATOM 768 CG LYS A 53 0.953 -22.624 -9.805 1.00 0.00 C ATOM 769 CD LYS A 53 0.445 -23.436 -10.984 1.00 0.00 C ATOM 770 CE LYS A 53 0.207 -24.888 -10.601 1.00 0.00 C ATOM 771 NZ LYS A 53 1.477 -25.586 -10.256 1.00 0.00 N ATOM 0 H LYS A 53 -0.851 -21.094 -11.875 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.067 -21.137 -9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.143 -20.918 -11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.507 -20.599 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.996 -22.874 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.391 -22.890 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.483 -23.000 -11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.168 -23.387 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.474 -24.932 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.280 -25.406 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.272 -26.573 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.118 -25.566 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.929 -25.107 -9.451 1.00 0.00 H new ATOM 785 N GLY A 54 0.082 -18.315 -10.343 1.00 0.00 N ATOM 786 CA GLY A 54 0.191 -16.890 -10.086 1.00 0.00 C ATOM 787 C GLY A 54 -1.146 -16.259 -9.751 1.00 0.00 C ATOM 788 O GLY A 54 -1.265 -15.519 -8.773 1.00 0.00 O ATOM 0 H GLY A 54 0.511 -18.627 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.885 -16.724 -9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.613 -16.397 -10.962 1.00 0.00 H new ATOM 792 N CYS A 55 -2.155 -16.549 -10.565 1.00 0.00 N ATOM 793 CA CYS A 55 -3.491 -16.002 -10.352 1.00 0.00 C ATOM 794 C CYS A 55 -3.797 -15.878 -8.862 1.00 0.00 C ATOM 795 O CYS A 55 -3.922 -14.774 -8.335 1.00 0.00 O ATOM 796 CB CYS A 55 -4.540 -16.888 -11.028 1.00 0.00 C ATOM 797 SG CYS A 55 -6.242 -16.598 -10.447 1.00 0.00 S ATOM 0 H CYS A 55 -2.074 -17.159 -11.378 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.525 -15.007 -10.795 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.501 -16.722 -12.105 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.282 -17.933 -10.857 1.00 0.00 H new ATOM 802 N GLU A 56 -3.916 -17.020 -8.191 1.00 0.00 N ATOM 803 CA GLU A 56 -4.207 -17.038 -6.763 1.00 0.00 C ATOM 804 C GLU A 56 -5.517 -16.313 -6.465 1.00 0.00 C ATOM 805 O GLU A 56 -5.604 -15.529 -5.520 1.00 0.00 O ATOM 806 CB GLU A 56 -3.064 -16.392 -5.977 1.00 0.00 C ATOM 807 CG GLU A 56 -3.001 -16.829 -4.523 1.00 0.00 C ATOM 808 CD GLU A 56 -2.161 -15.898 -3.671 1.00 0.00 C ATOM 809 OE1 GLU A 56 -2.423 -14.676 -3.691 1.00 0.00 O ATOM 810 OE2 GLU A 56 -1.241 -16.390 -2.984 1.00 0.00 O ATOM 0 H GLU A 56 -3.815 -17.943 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.308 -18.078 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.118 -16.635 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.174 -15.308 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.012 -16.875 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.589 -17.837 -4.468 1.00 0.00 H new ATOM 817 N ARG A 57 -6.532 -16.580 -7.280 1.00 0.00 N ATOM 818 CA ARG A 57 -7.836 -15.952 -7.106 1.00 0.00 C ATOM 819 C ARG A 57 -8.932 -17.004 -6.961 1.00 0.00 C ATOM 820 O ARG A 57 -9.253 -17.716 -7.912 1.00 0.00 O ATOM 821 CB ARG A 57 -8.148 -15.037 -8.292 1.00 0.00 C ATOM 822 CG ARG A 57 -7.051 -14.027 -8.587 1.00 0.00 C ATOM 823 CD ARG A 57 -7.244 -12.746 -7.790 1.00 0.00 C ATOM 824 NE ARG A 57 -6.243 -11.737 -8.123 1.00 0.00 N ATOM 825 CZ ARG A 57 -6.289 -10.992 -9.222 1.00 0.00 C ATOM 826 NH1 ARG A 57 -7.284 -11.141 -10.087 1.00 0.00 N ATOM 827 NH2 ARG A 57 -5.342 -10.093 -9.456 1.00 0.00 N ATOM 0 H ARG A 57 -6.477 -17.227 -8.067 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.805 -15.356 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.315 -15.649 -9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.078 -14.504 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.081 -14.462 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.044 -13.796 -9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.240 -12.346 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.191 -12.971 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.466 -11.596 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.016 -11.829 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.317 -10.568 -10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.577 -9.973 -8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.379 -9.522 -10.300 1.00 0.00 H new ATOM 841 N ARG A 58 -9.500 -17.097 -5.763 1.00 0.00 N ATOM 842 CA ARG A 58 -10.558 -18.063 -5.492 1.00 0.00 C ATOM 843 C ARG A 58 -11.931 -17.402 -5.569 1.00 0.00 C ATOM 844 O ARG A 58 -12.039 -16.195 -5.787 1.00 0.00 O ATOM 845 CB ARG A 58 -10.361 -18.695 -4.113 1.00 0.00 C ATOM 846 CG ARG A 58 -8.972 -19.277 -3.903 1.00 0.00 C ATOM 847 CD ARG A 58 -8.932 -20.197 -2.692 1.00 0.00 C ATOM 848 NE ARG A 58 -7.600 -20.757 -2.476 1.00 0.00 N ATOM 849 CZ ARG A 58 -6.636 -20.128 -1.814 1.00 0.00 C ATOM 850 NH1 ARG A 58 -6.854 -18.921 -1.308 1.00 0.00 N ATOM 851 NH2 ARG A 58 -5.451 -20.704 -1.660 1.00 0.00 N ATOM 0 H ARG A 58 -9.245 -16.515 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.506 -18.843 -6.252 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.550 -17.943 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.101 -19.483 -3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.670 -19.830 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.253 -18.468 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.241 -19.643 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.649 -21.007 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.399 -21.683 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.763 -18.475 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.112 -18.439 -0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.280 -21.631 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.711 -20.220 -1.151 1.00 0.00 H new ATOM 865 N PHE A 59 -12.978 -18.201 -5.389 1.00 0.00 N ATOM 866 CA PHE A 59 -14.344 -17.694 -5.438 1.00 0.00 C ATOM 867 C PHE A 59 -15.290 -18.601 -4.656 1.00 0.00 C ATOM 868 O PHE A 59 -15.146 -19.823 -4.667 1.00 0.00 O ATOM 869 CB PHE A 59 -14.815 -17.579 -6.890 1.00 0.00 C ATOM 870 CG PHE A 59 -13.907 -16.749 -7.750 1.00 0.00 C ATOM 871 CD1 PHE A 59 -12.709 -17.265 -8.218 1.00 0.00 C ATOM 872 CD2 PHE A 59 -14.252 -15.451 -8.094 1.00 0.00 C ATOM 873 CE1 PHE A 59 -11.872 -16.502 -9.009 1.00 0.00 C ATOM 874 CE2 PHE A 59 -13.419 -14.683 -8.885 1.00 0.00 C ATOM 875 CZ PHE A 59 -12.228 -15.209 -9.345 1.00 0.00 C ATOM 0 H PHE A 59 -12.906 -19.202 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.355 -16.705 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -14.895 -18.578 -7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -15.815 -17.145 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.426 -18.275 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.183 -15.035 -7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.940 -16.915 -9.365 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.699 -13.672 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.576 -14.612 -9.966 1.00 0.00 H new ATOM 885 N ALA A 60 -16.255 -17.992 -3.976 1.00 0.00 N ATOM 886 CA ALA A 60 -17.225 -18.743 -3.188 1.00 0.00 C ATOM 887 C ALA A 60 -18.163 -19.542 -4.087 1.00 0.00 C ATOM 888 O ALA A 60 -18.468 -20.700 -3.808 1.00 0.00 O ATOM 889 CB ALA A 60 -18.022 -17.802 -2.296 1.00 0.00 C ATOM 0 H ALA A 60 -16.386 -16.981 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.678 -19.447 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.742 -18.376 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.344 -17.279 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.551 -17.076 -2.914 1.00 0.00 H new ATOM 895 N ARG A 61 -18.615 -18.915 -5.168 1.00 0.00 N ATOM 896 CA ARG A 61 -19.519 -19.567 -6.108 1.00 0.00 C ATOM 897 C ARG A 61 -18.738 -20.316 -7.183 1.00 0.00 C ATOM 898 O ARG A 61 -17.605 -19.957 -7.504 1.00 0.00 O ATOM 899 CB ARG A 61 -20.444 -18.537 -6.758 1.00 0.00 C ATOM 900 CG ARG A 61 -21.679 -18.219 -5.931 1.00 0.00 C ATOM 901 CD ARG A 61 -21.349 -17.295 -4.770 1.00 0.00 C ATOM 902 NE ARG A 61 -20.973 -18.038 -3.570 1.00 0.00 N ATOM 903 CZ ARG A 61 -21.854 -18.541 -2.712 1.00 0.00 C ATOM 904 NH1 ARG A 61 -23.153 -18.384 -2.920 1.00 0.00 N ATOM 905 NH2 ARG A 61 -21.434 -19.206 -1.642 1.00 0.00 N ATOM 0 H ARG A 61 -18.370 -17.956 -5.415 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.122 -20.287 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.885 -17.617 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -20.757 -18.907 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -22.433 -17.753 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.111 -19.144 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.533 -16.631 -5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -22.211 -16.665 -4.551 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.981 -18.178 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -23.480 -17.875 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.826 -18.772 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.435 -19.331 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.111 -19.592 -0.983 1.00 0.00 H new ATOM 919 N SER A 62 -19.350 -21.358 -7.736 1.00 0.00 N ATOM 920 CA SER A 62 -18.711 -22.160 -8.772 1.00 0.00 C ATOM 921 C SER A 62 -18.770 -21.451 -10.121 1.00 0.00 C ATOM 922 O SER A 62 -17.808 -21.475 -10.889 1.00 0.00 O ATOM 923 CB SER A 62 -19.383 -23.531 -8.872 1.00 0.00 C ATOM 924 OG SER A 62 -19.353 -24.207 -7.628 1.00 0.00 O ATOM 0 H SER A 62 -20.289 -21.667 -7.483 1.00 0.00 H new ATOM 0 HA SER A 62 -17.665 -22.296 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 62 -20.416 -23.410 -9.198 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.878 -24.132 -9.628 1.00 0.00 H new ATOM 0 HG SER A 62 -18.423 -24.365 -7.364 1.00 0.00 H new ATOM 930 N ASP A 63 -19.905 -20.821 -10.403 1.00 0.00 N ATOM 931 CA ASP A 63 -20.091 -20.104 -11.658 1.00 0.00 C ATOM 932 C ASP A 63 -19.102 -18.948 -11.776 1.00 0.00 C ATOM 933 O ASP A 63 -18.441 -18.787 -12.800 1.00 0.00 O ATOM 934 CB ASP A 63 -21.523 -19.578 -11.763 1.00 0.00 C ATOM 935 CG ASP A 63 -22.537 -20.692 -11.933 1.00 0.00 C ATOM 936 OD1 ASP A 63 -22.816 -21.398 -10.942 1.00 0.00 O ATOM 937 OD2 ASP A 63 -23.053 -20.858 -13.059 1.00 0.00 O ATOM 0 H ASP A 63 -20.711 -20.793 -9.778 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.907 -20.801 -12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -21.763 -19.005 -10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -21.595 -18.893 -12.608 1.00 0.00 H new ATOM 942 N GLU A 64 -19.007 -18.148 -10.718 1.00 0.00 N ATOM 943 CA GLU A 64 -18.100 -17.006 -10.705 1.00 0.00 C ATOM 944 C GLU A 64 -16.709 -17.410 -11.187 1.00 0.00 C ATOM 945 O GLU A 64 -16.116 -16.743 -12.035 1.00 0.00 O ATOM 946 CB GLU A 64 -18.012 -16.414 -9.297 1.00 0.00 C ATOM 947 CG GLU A 64 -19.158 -15.475 -8.959 1.00 0.00 C ATOM 948 CD GLU A 64 -19.003 -14.833 -7.593 1.00 0.00 C ATOM 949 OE1 GLU A 64 -18.058 -14.037 -7.415 1.00 0.00 O ATOM 950 OE2 GLU A 64 -19.827 -15.130 -6.702 1.00 0.00 O ATOM 0 H GLU A 64 -19.546 -18.269 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 64 -18.496 -16.252 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.993 -17.227 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.070 -15.875 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -19.220 -14.695 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -20.097 -16.027 -8.992 1.00 0.00 H new ATOM 957 N LEU A 65 -16.195 -18.506 -10.640 1.00 0.00 N ATOM 958 CA LEU A 65 -14.875 -19.000 -11.012 1.00 0.00 C ATOM 959 C LEU A 65 -14.786 -19.236 -12.517 1.00 0.00 C ATOM 960 O LEU A 65 -13.991 -18.599 -13.209 1.00 0.00 O ATOM 961 CB LEU A 65 -14.563 -20.296 -10.261 1.00 0.00 C ATOM 962 CG LEU A 65 -13.289 -21.028 -10.687 1.00 0.00 C ATOM 963 CD1 LEU A 65 -12.058 -20.220 -10.305 1.00 0.00 C ATOM 964 CD2 LEU A 65 -13.235 -22.413 -10.059 1.00 0.00 C ATOM 0 H LEU A 65 -16.673 -19.069 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.140 -18.243 -10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.489 -20.068 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -15.407 -20.975 -10.383 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.303 -21.142 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.161 -20.755 -10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.091 -19.250 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.039 -20.075 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.322 -22.919 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.244 -22.321 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.100 -22.992 -10.381 1.00 0.00 H new ATOM 976 N SER A 66 -15.608 -20.153 -13.016 1.00 0.00 N ATOM 977 CA SER A 66 -15.621 -20.474 -14.438 1.00 0.00 C ATOM 978 C SER A 66 -15.552 -19.204 -15.282 1.00 0.00 C ATOM 979 O SER A 66 -14.730 -19.095 -16.192 1.00 0.00 O ATOM 980 CB SER A 66 -16.880 -21.266 -14.792 1.00 0.00 C ATOM 981 OG SER A 66 -16.821 -21.753 -16.122 1.00 0.00 O ATOM 0 H SER A 66 -16.274 -20.687 -12.457 1.00 0.00 H new ATOM 0 HA SER A 66 -14.744 -21.083 -14.656 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.994 -22.101 -14.101 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.758 -20.631 -14.673 1.00 0.00 H new ATOM 0 HG SER A 66 -17.637 -22.257 -16.322 1.00 0.00 H new ATOM 987 N ARG A 67 -16.421 -18.248 -14.974 1.00 0.00 N ATOM 988 CA ARG A 67 -16.461 -16.987 -15.704 1.00 0.00 C ATOM 989 C ARG A 67 -15.139 -16.238 -15.567 1.00 0.00 C ATOM 990 O ARG A 67 -14.667 -15.611 -16.516 1.00 0.00 O ATOM 991 CB ARG A 67 -17.609 -16.113 -15.194 1.00 0.00 C ATOM 992 CG ARG A 67 -18.041 -15.040 -16.178 1.00 0.00 C ATOM 993 CD ARG A 67 -18.790 -13.914 -15.482 1.00 0.00 C ATOM 994 NE ARG A 67 -19.981 -14.397 -14.788 1.00 0.00 N ATOM 995 CZ ARG A 67 -21.093 -14.772 -15.410 1.00 0.00 C ATOM 996 NH1 ARG A 67 -21.165 -14.722 -16.733 1.00 0.00 N ATOM 997 NH2 ARG A 67 -22.135 -15.201 -14.709 1.00 0.00 N ATOM 0 H ARG A 67 -17.108 -18.322 -14.223 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.625 -17.212 -16.758 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.464 -16.749 -14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.306 -15.638 -14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.165 -14.636 -16.685 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.677 -15.483 -16.944 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.128 -13.425 -14.768 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.078 -13.162 -16.216 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.957 -14.449 -13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.365 -14.395 -17.275 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.020 -15.011 -17.208 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.083 -15.243 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.988 -15.489 -15.188 1.00 0.00 H new ATOM 1011 N HIS A 68 -14.544 -16.309 -14.380 1.00 0.00 N ATOM 1012 CA HIS A 68 -13.275 -15.637 -14.119 1.00 0.00 C ATOM 1013 C HIS A 68 -12.147 -16.276 -14.923 1.00 0.00 C ATOM 1014 O HIS A 68 -11.469 -15.605 -15.700 1.00 0.00 O ATOM 1015 CB HIS A 68 -12.945 -15.687 -12.627 1.00 0.00 C ATOM 1016 CG HIS A 68 -11.477 -15.727 -12.339 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -10.725 -14.597 -12.101 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -10.620 -16.773 -12.251 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -9.469 -14.943 -11.880 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -9.380 -16.259 -11.964 1.00 0.00 N ATOM 0 H HIS A 68 -14.920 -16.825 -13.584 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.373 -14.596 -14.427 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.379 -14.815 -12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.417 -16.566 -12.188 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -11.082 -13.642 -12.096 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.867 -17.816 -12.382 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.655 -14.266 -11.667 1.00 0.00 H new ATOM 1028 N ARG A 69 -11.953 -17.577 -14.730 1.00 0.00 N ATOM 1029 CA ARG A 69 -10.906 -18.306 -15.435 1.00 0.00 C ATOM 1030 C ARG A 69 -10.837 -17.878 -16.899 1.00 0.00 C ATOM 1031 O ARG A 69 -9.755 -17.649 -17.438 1.00 0.00 O ATOM 1032 CB ARG A 69 -11.153 -19.813 -15.343 1.00 0.00 C ATOM 1033 CG ARG A 69 -10.723 -20.421 -14.019 1.00 0.00 C ATOM 1034 CD ARG A 69 -10.351 -21.888 -14.174 1.00 0.00 C ATOM 1035 NE ARG A 69 -11.446 -22.672 -14.740 1.00 0.00 N ATOM 1036 CZ ARG A 69 -11.560 -23.987 -14.592 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -10.652 -24.661 -13.898 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -12.584 -24.631 -15.137 1.00 0.00 N ATOM 0 H ARG A 69 -12.507 -18.147 -14.091 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.953 -18.072 -14.961 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.214 -20.008 -15.495 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.618 -20.310 -16.152 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.871 -19.868 -13.623 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.531 -20.324 -13.293 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.474 -21.974 -14.815 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.076 -22.297 -13.202 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.162 -22.183 -15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.864 -24.169 -13.477 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.742 -25.671 -13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.285 -24.116 -15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.671 -25.641 -15.023 1.00 0.00 H new ATOM 1052 N ARG A 70 -11.999 -17.775 -17.534 1.00 0.00 N ATOM 1053 CA ARG A 70 -12.072 -17.377 -18.934 1.00 0.00 C ATOM 1054 C ARG A 70 -10.969 -16.379 -19.274 1.00 0.00 C ATOM 1055 O ARG A 70 -10.418 -16.395 -20.375 1.00 0.00 O ATOM 1056 CB ARG A 70 -13.440 -16.767 -19.245 1.00 0.00 C ATOM 1057 CG ARG A 70 -14.552 -17.797 -19.370 1.00 0.00 C ATOM 1058 CD ARG A 70 -15.919 -17.134 -19.437 1.00 0.00 C ATOM 1059 NE ARG A 70 -17.003 -18.101 -19.285 1.00 0.00 N ATOM 1060 CZ ARG A 70 -17.503 -18.808 -20.292 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -17.018 -18.658 -21.517 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -18.489 -19.669 -20.074 1.00 0.00 N ATOM 0 H ARG A 70 -12.903 -17.962 -17.101 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.933 -18.269 -19.545 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -13.700 -16.058 -18.459 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -13.374 -16.202 -20.175 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.394 -18.398 -20.265 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.517 -18.477 -18.519 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.994 -16.379 -18.655 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.025 -16.617 -20.391 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.397 -18.241 -18.355 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.259 -17.998 -21.688 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.404 -19.202 -22.288 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.863 -19.788 -19.133 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.873 -20.212 -20.848 1.00 0.00 H new ATOM 1076 N THR A 71 -10.652 -15.509 -18.320 1.00 0.00 N ATOM 1077 CA THR A 71 -9.617 -14.502 -18.517 1.00 0.00 C ATOM 1078 C THR A 71 -8.287 -15.145 -18.891 1.00 0.00 C ATOM 1079 O THR A 71 -7.663 -14.773 -19.885 1.00 0.00 O ATOM 1080 CB THR A 71 -9.422 -13.641 -17.254 1.00 0.00 C ATOM 1081 OG1 THR A 71 -9.084 -14.476 -16.141 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.682 -12.850 -16.938 1.00 0.00 C ATOM 0 H THR A 71 -11.098 -15.482 -17.403 1.00 0.00 H new ATOM 0 HA THR A 71 -9.950 -13.863 -19.335 1.00 0.00 H new ATOM 0 HB THR A 71 -8.610 -12.939 -17.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.807 -15.118 -15.982 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.520 -12.250 -16.043 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.920 -12.195 -17.776 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.511 -13.538 -16.769 1.00 0.00 H new ATOM 1090 N HIS A 72 -7.858 -16.114 -18.088 1.00 0.00 N ATOM 1091 CA HIS A 72 -6.601 -16.812 -18.336 1.00 0.00 C ATOM 1092 C HIS A 72 -6.779 -18.320 -18.190 1.00 0.00 C ATOM 1093 O HIS A 72 -7.648 -18.784 -17.453 1.00 0.00 O ATOM 1094 CB HIS A 72 -5.522 -16.319 -17.372 1.00 0.00 C ATOM 1095 CG HIS A 72 -5.970 -16.270 -15.944 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -5.795 -15.165 -15.137 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -6.591 -17.198 -15.179 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -6.288 -15.417 -13.938 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -6.777 -16.643 -13.937 1.00 0.00 N ATOM 0 H HIS A 72 -8.362 -16.433 -17.261 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.290 -16.598 -19.359 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.652 -16.972 -17.449 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.201 -15.323 -17.678 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.354 -14.290 -15.422 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.885 -18.190 -15.488 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.291 -14.735 -13.100 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.291 -11.474 8.672 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -7.642 -17.327 -12.195 1.00 0.00 ZN