USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=24 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 Set 1.1: A 27 LYS NZ :NH3+ 158:sc= -0.0787 (180deg=-0.41) USER MOD Set 1.2: A 29 TYR OH : rot 30:sc= -0.495 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.076 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.931 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.02! C(o=-4!,f=-5.4!) 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= -9.28! C(o=-9.3!,f=-11!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.718 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= -1.67! C(o=-1.7!,f=-1.5!) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0662 (180deg=-0.382) 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 26:sc= 0.235 USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.639) USER MOD Single : A 49 SER OG : rot 27:sc= 0.182 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 -61:sc= 0.982 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.594 -28.217 18.018 1.00 0.00 N ATOM 2 CA GLY A 1 10.234 -28.278 16.613 1.00 0.00 C ATOM 3 C GLY A 1 9.665 -26.969 16.103 1.00 0.00 C ATOM 4 O GLY A 1 9.441 -26.038 16.877 1.00 0.00 O ATOM 0 H1 GLY A 1 11.621 -28.345 18.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.320 -27.292 18.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.099 -28.971 18.536 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.114 -28.541 16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.502 -29.072 16.463 1.00 0.00 H new ATOM 8 N SER A 2 9.431 -26.896 14.796 1.00 0.00 N ATOM 9 CA SER A 2 8.890 -25.689 14.183 1.00 0.00 C ATOM 10 C SER A 2 8.277 -26.001 12.820 1.00 0.00 C ATOM 11 O SER A 2 8.476 -27.083 12.271 1.00 0.00 O ATOM 12 CB SER A 2 9.986 -24.633 14.032 1.00 0.00 C ATOM 13 OG SER A 2 10.181 -23.923 15.242 1.00 0.00 O ATOM 0 H SER A 2 9.608 -27.658 14.142 1.00 0.00 H new ATOM 0 HA SER A 2 8.108 -25.299 14.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.918 -25.112 13.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.717 -23.937 13.238 1.00 0.00 H new ATOM 0 HG SER A 2 9.847 -24.457 15.992 1.00 0.00 H new ATOM 19 N SER A 3 7.528 -25.043 12.283 1.00 0.00 N ATOM 20 CA SER A 3 6.881 -25.214 10.988 1.00 0.00 C ATOM 21 C SER A 3 6.993 -23.943 10.152 1.00 0.00 C ATOM 22 O SER A 3 7.506 -22.926 10.614 1.00 0.00 O ATOM 23 CB SER A 3 5.409 -25.589 11.174 1.00 0.00 C ATOM 24 OG SER A 3 5.279 -26.815 11.872 1.00 0.00 O ATOM 0 H SER A 3 7.354 -24.140 12.725 1.00 0.00 H new ATOM 0 HA SER A 3 7.389 -26.021 10.460 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.896 -24.799 11.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.925 -25.668 10.201 1.00 0.00 H new ATOM 0 HG SER A 3 4.329 -27.031 11.979 1.00 0.00 H new ATOM 30 N GLY A 4 6.507 -24.010 8.916 1.00 0.00 N ATOM 31 CA GLY A 4 6.561 -22.860 8.034 1.00 0.00 C ATOM 32 C GLY A 4 5.187 -22.303 7.722 1.00 0.00 C ATOM 33 O GLY A 4 4.477 -22.828 6.864 1.00 0.00 O ATOM 0 H GLY A 4 6.077 -24.841 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.169 -22.081 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.055 -23.142 7.104 1.00 0.00 H new ATOM 37 N SER A 5 4.808 -21.237 8.420 1.00 0.00 N ATOM 38 CA SER A 5 3.507 -20.611 8.217 1.00 0.00 C ATOM 39 C SER A 5 3.660 -19.232 7.581 1.00 0.00 C ATOM 40 O SER A 5 2.718 -18.440 7.558 1.00 0.00 O ATOM 41 CB SER A 5 2.761 -20.493 9.548 1.00 0.00 C ATOM 42 OG SER A 5 3.459 -19.653 10.450 1.00 0.00 O ATOM 0 H SER A 5 5.385 -20.788 9.132 1.00 0.00 H new ATOM 0 HA SER A 5 2.930 -21.241 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.761 -20.095 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.638 -21.482 9.989 1.00 0.00 H new ATOM 0 HG SER A 5 2.961 -19.592 11.292 1.00 0.00 H new ATOM 48 N SER A 6 4.854 -18.954 7.069 1.00 0.00 N ATOM 49 CA SER A 6 5.133 -17.670 6.436 1.00 0.00 C ATOM 50 C SER A 6 3.957 -17.222 5.574 1.00 0.00 C ATOM 51 O SER A 6 3.366 -16.168 5.809 1.00 0.00 O ATOM 52 CB SER A 6 6.400 -17.762 5.584 1.00 0.00 C ATOM 53 OG SER A 6 6.583 -16.585 4.814 1.00 0.00 O ATOM 0 H SER A 6 5.643 -19.600 7.080 1.00 0.00 H new ATOM 0 HA SER A 6 5.286 -16.931 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.265 -17.917 6.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.336 -18.627 4.923 1.00 0.00 H new ATOM 0 HG SER A 6 7.400 -16.668 4.279 1.00 0.00 H new ATOM 59 N GLY A 7 3.623 -18.030 4.573 1.00 0.00 N ATOM 60 CA GLY A 7 2.520 -17.701 3.690 1.00 0.00 C ATOM 61 C GLY A 7 2.928 -16.755 2.580 1.00 0.00 C ATOM 62 O GLY A 7 4.113 -16.553 2.311 1.00 0.00 O ATOM 0 H GLY A 7 4.097 -18.907 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.122 -18.617 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.716 -17.249 4.271 1.00 0.00 H new ATOM 66 N PRO A 8 1.931 -16.155 1.910 1.00 0.00 N ATOM 67 CA PRO A 8 2.169 -15.216 0.810 1.00 0.00 C ATOM 68 C PRO A 8 2.768 -13.900 1.292 1.00 0.00 C ATOM 69 O PRO A 8 2.517 -13.469 2.418 1.00 0.00 O ATOM 70 CB PRO A 8 0.771 -14.988 0.231 1.00 0.00 C ATOM 71 CG PRO A 8 -0.157 -15.268 1.361 1.00 0.00 C ATOM 72 CD PRO A 8 0.497 -16.350 2.176 1.00 0.00 C ATOM 0 HA PRO A 8 2.886 -15.606 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.655 -13.967 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.579 -15.651 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.322 -14.373 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.132 -15.590 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.267 -16.249 3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.162 -17.341 1.871 1.00 0.00 H new ATOM 80 N GLN A 9 3.560 -13.266 0.433 1.00 0.00 N ATOM 81 CA GLN A 9 4.195 -11.997 0.773 1.00 0.00 C ATOM 82 C GLN A 9 3.474 -10.831 0.104 1.00 0.00 C ATOM 83 O GLN A 9 4.011 -9.727 0.011 1.00 0.00 O ATOM 84 CB GLN A 9 5.665 -12.010 0.353 1.00 0.00 C ATOM 85 CG GLN A 9 5.870 -12.185 -1.143 1.00 0.00 C ATOM 86 CD GLN A 9 5.581 -10.918 -1.923 1.00 0.00 C ATOM 87 OE1 GLN A 9 4.619 -10.852 -2.690 1.00 0.00 O ATOM 88 NE2 GLN A 9 6.414 -9.902 -1.732 1.00 0.00 N ATOM 0 H GLN A 9 3.777 -13.609 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 9 4.134 -11.867 1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.132 -11.077 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.177 -12.816 0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.897 -12.497 -1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.223 -12.985 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.198 -10.000 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.270 -9.024 -2.230 1.00 0.00 H new ATOM 97 N ILE A 10 2.254 -11.083 -0.358 1.00 0.00 N ATOM 98 CA ILE A 10 1.459 -10.054 -1.016 1.00 0.00 C ATOM 99 C ILE A 10 0.905 -9.057 -0.006 1.00 0.00 C ATOM 100 O ILE A 10 0.124 -9.418 0.874 1.00 0.00 O ATOM 101 CB ILE A 10 0.290 -10.668 -1.810 1.00 0.00 C ATOM 102 CG1 ILE A 10 0.817 -11.633 -2.873 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.548 -9.572 -2.451 1.00 0.00 C ATOM 104 CD1 ILE A 10 1.711 -10.973 -3.899 1.00 0.00 C ATOM 0 H ILE A 10 1.795 -11.991 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 10 2.124 -9.535 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.343 -11.227 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.370 -12.434 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.028 -12.095 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.370 -10.021 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.949 -8.920 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.074 -8.988 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.047 -11.717 -4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.155 -10.191 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.575 -10.535 -3.400 1.00 0.00 H new ATOM 116 N ASP A 11 1.313 -7.799 -0.138 1.00 0.00 N ATOM 117 CA ASP A 11 0.856 -6.747 0.761 1.00 0.00 C ATOM 118 C ASP A 11 0.923 -5.384 0.082 1.00 0.00 C ATOM 119 O ASP A 11 1.675 -5.191 -0.874 1.00 0.00 O ATOM 120 CB ASP A 11 1.698 -6.738 2.038 1.00 0.00 C ATOM 121 CG ASP A 11 0.925 -6.224 3.237 1.00 0.00 C ATOM 122 OD1 ASP A 11 0.036 -5.368 3.048 1.00 0.00 O ATOM 123 OD2 ASP A 11 1.210 -6.677 4.365 1.00 0.00 O ATOM 0 H ASP A 11 1.960 -7.484 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.183 -6.951 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.052 -7.748 2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.580 -6.116 1.884 1.00 0.00 H new ATOM 128 N SER A 12 0.133 -4.439 0.582 1.00 0.00 N ATOM 129 CA SER A 12 0.100 -3.094 0.020 1.00 0.00 C ATOM 130 C SER A 12 0.285 -2.044 1.112 1.00 0.00 C ATOM 131 O SER A 12 -0.446 -2.027 2.102 1.00 0.00 O ATOM 132 CB SER A 12 -1.224 -2.857 -0.712 1.00 0.00 C ATOM 133 OG SER A 12 -1.321 -3.673 -1.866 1.00 0.00 O ATOM 0 H SER A 12 -0.493 -4.580 1.375 1.00 0.00 H new ATOM 0 HA SER A 12 0.922 -3.003 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.057 -3.069 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.303 -1.808 -0.997 1.00 0.00 H new ATOM 0 HG SER A 12 -2.176 -3.505 -2.315 1.00 0.00 H new ATOM 139 N SER A 13 1.269 -1.171 0.923 1.00 0.00 N ATOM 140 CA SER A 13 1.555 -0.120 1.893 1.00 0.00 C ATOM 141 C SER A 13 0.370 0.831 2.027 1.00 0.00 C ATOM 142 O SER A 13 0.063 1.592 1.109 1.00 0.00 O ATOM 143 CB SER A 13 2.805 0.660 1.479 1.00 0.00 C ATOM 144 OG SER A 13 2.931 1.855 2.227 1.00 0.00 O ATOM 0 H SER A 13 1.882 -1.170 0.107 1.00 0.00 H new ATOM 0 HA SER A 13 1.733 -0.591 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.689 0.040 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.755 0.896 0.416 1.00 0.00 H new ATOM 0 HG SER A 13 3.738 2.334 1.945 1.00 0.00 H new ATOM 150 N ARG A 14 -0.292 0.783 3.179 1.00 0.00 N ATOM 151 CA ARG A 14 -1.444 1.638 3.435 1.00 0.00 C ATOM 152 C ARG A 14 -1.747 1.709 4.929 1.00 0.00 C ATOM 153 O ARG A 14 -1.305 0.859 5.703 1.00 0.00 O ATOM 154 CB ARG A 14 -2.669 1.120 2.679 1.00 0.00 C ATOM 155 CG ARG A 14 -3.048 -0.307 3.039 1.00 0.00 C ATOM 156 CD ARG A 14 -4.013 -0.348 4.213 1.00 0.00 C ATOM 157 NE ARG A 14 -4.670 -1.648 4.336 1.00 0.00 N ATOM 158 CZ ARG A 14 -5.560 -2.107 3.464 1.00 0.00 C ATOM 159 NH1 ARG A 14 -5.899 -1.377 2.411 1.00 0.00 N ATOM 160 NH2 ARG A 14 -6.114 -3.300 3.645 1.00 0.00 N ATOM 0 H ARG A 14 -0.050 0.160 3.950 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.206 2.641 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.516 1.775 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.475 1.176 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.503 -0.793 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.149 -0.872 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.474 -0.126 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.767 0.429 4.090 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.432 -2.235 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.476 -0.460 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.583 -1.732 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.856 -3.865 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.798 -3.652 2.975 1.00 0.00 H new ATOM 174 N ILE A 15 -2.503 2.727 5.326 1.00 0.00 N ATOM 175 CA ILE A 15 -2.865 2.909 6.727 1.00 0.00 C ATOM 176 C ILE A 15 -3.903 1.883 7.163 1.00 0.00 C ATOM 177 O ILE A 15 -4.890 1.648 6.465 1.00 0.00 O ATOM 178 CB ILE A 15 -3.415 4.323 6.987 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.404 5.379 6.535 1.00 0.00 C ATOM 180 CG2 ILE A 15 -3.751 4.498 8.460 1.00 0.00 C ATOM 181 CD1 ILE A 15 -1.090 5.315 7.282 1.00 0.00 C ATOM 0 H ILE A 15 -2.877 3.438 4.698 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.954 2.770 7.309 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.330 4.453 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.213 5.255 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.841 6.369 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.139 5.503 8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.504 3.765 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.852 4.351 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.422 6.092 6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.269 5.469 8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.632 4.338 7.129 1.00 0.00 H new ATOM 193 N ARG A 16 -3.677 1.274 8.322 1.00 0.00 N ATOM 194 CA ARG A 16 -4.594 0.273 8.852 1.00 0.00 C ATOM 195 C ARG A 16 -4.544 0.242 10.377 1.00 0.00 C ATOM 196 O ARG A 16 -3.548 -0.178 10.967 1.00 0.00 O ATOM 197 CB ARG A 16 -4.253 -1.110 8.293 1.00 0.00 C ATOM 198 CG ARG A 16 -2.786 -1.480 8.437 1.00 0.00 C ATOM 199 CD ARG A 16 -2.407 -2.626 7.512 1.00 0.00 C ATOM 200 NE ARG A 16 -1.099 -3.187 7.843 1.00 0.00 N ATOM 201 CZ ARG A 16 -0.609 -4.288 7.284 1.00 0.00 C ATOM 202 NH1 ARG A 16 -1.314 -4.942 6.371 1.00 0.00 N ATOM 203 NH2 ARG A 16 0.588 -4.736 7.637 1.00 0.00 N ATOM 0 H ARG A 16 -2.866 1.457 8.913 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.604 0.544 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.860 -1.858 8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.526 -1.144 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.167 -0.611 8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.580 -1.761 9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.163 -3.408 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.399 -2.272 6.481 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.531 -2.707 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.235 -4.600 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.935 -5.787 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.134 -4.235 8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.963 -5.581 7.207 1.00 0.00 H new ATOM 217 N SER A 17 -5.623 0.691 11.009 1.00 0.00 N ATOM 218 CA SER A 17 -5.701 0.719 12.465 1.00 0.00 C ATOM 219 C SER A 17 -6.454 -0.498 12.993 1.00 0.00 C ATOM 220 O SER A 17 -5.875 -1.365 13.647 1.00 0.00 O ATOM 221 CB SER A 17 -6.388 2.002 12.936 1.00 0.00 C ATOM 222 OG SER A 17 -5.440 3.026 13.187 1.00 0.00 O ATOM 0 H SER A 17 -6.456 1.041 10.536 1.00 0.00 H new ATOM 0 HA SER A 17 -4.685 0.694 12.858 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.098 2.337 12.180 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.959 1.801 13.842 1.00 0.00 H new ATOM 0 HG SER A 17 -5.904 3.836 13.485 1.00 0.00 H new ATOM 228 N HIS A 18 -7.750 -0.555 12.703 1.00 0.00 N ATOM 229 CA HIS A 18 -8.585 -1.666 13.147 1.00 0.00 C ATOM 230 C HIS A 18 -7.964 -3.003 12.754 1.00 0.00 C ATOM 231 O HIS A 18 -7.948 -3.369 11.578 1.00 0.00 O ATOM 232 CB HIS A 18 -9.988 -1.547 12.553 1.00 0.00 C ATOM 233 CG HIS A 18 -10.859 -0.560 13.266 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.166 -0.825 13.616 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.604 0.698 13.696 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.677 0.228 14.230 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.749 1.166 14.291 1.00 0.00 N ATOM 0 H HIS A 18 -8.245 0.155 12.163 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.655 -1.624 14.234 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.907 -1.257 11.505 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.468 -2.526 12.576 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.672 1.234 13.590 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.682 0.308 14.616 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.864 2.088 14.712 1.00 0.00 H new ATOM 245 N ILE A 19 -7.454 -3.727 13.744 1.00 0.00 N ATOM 246 CA ILE A 19 -6.832 -5.023 13.500 1.00 0.00 C ATOM 247 C ILE A 19 -7.850 -6.151 13.619 1.00 0.00 C ATOM 248 O ILE A 19 -8.751 -6.104 14.457 1.00 0.00 O ATOM 249 CB ILE A 19 -5.675 -5.286 14.482 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.901 -3.993 14.750 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.748 -6.361 13.933 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.410 -3.221 15.946 1.00 0.00 C ATOM 0 H ILE A 19 -7.459 -3.439 14.722 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.437 -4.998 12.484 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.091 -5.640 15.425 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.849 -4.234 14.904 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.956 -3.357 13.867 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.935 -6.536 14.638 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.308 -7.285 13.788 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.336 -6.033 12.979 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.815 -2.317 16.076 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.453 -2.949 15.786 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.329 -3.840 16.840 1.00 0.00 H new ATOM 264 N CYS A 20 -7.700 -7.167 12.776 1.00 0.00 N ATOM 265 CA CYS A 20 -8.606 -8.311 12.786 1.00 0.00 C ATOM 266 C CYS A 20 -8.411 -9.147 14.047 1.00 0.00 C ATOM 267 O CYS A 20 -7.311 -9.626 14.323 1.00 0.00 O ATOM 268 CB CYS A 20 -8.379 -9.177 11.545 1.00 0.00 C ATOM 269 SG CYS A 20 -9.375 -10.703 11.513 1.00 0.00 S ATOM 0 H CYS A 20 -6.959 -7.222 12.077 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.629 -7.935 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.607 -8.588 10.657 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.323 -9.443 11.488 1.00 0.00 H new ATOM 274 N SER A 21 -9.487 -9.319 14.808 1.00 0.00 N ATOM 275 CA SER A 21 -9.434 -10.095 16.042 1.00 0.00 C ATOM 276 C SER A 21 -9.020 -11.537 15.760 1.00 0.00 C ATOM 277 O SER A 21 -8.192 -12.107 16.471 1.00 0.00 O ATOM 278 CB SER A 21 -10.795 -10.071 16.742 1.00 0.00 C ATOM 279 OG SER A 21 -11.010 -8.833 17.395 1.00 0.00 O ATOM 0 H SER A 21 -10.406 -8.932 14.592 1.00 0.00 H new ATOM 0 HA SER A 21 -8.688 -9.643 16.696 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.586 -10.243 16.012 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.849 -10.883 17.468 1.00 0.00 H new ATOM 0 HG SER A 21 -11.887 -8.842 17.833 1.00 0.00 H new ATOM 285 N HIS A 22 -9.603 -12.120 14.717 1.00 0.00 N ATOM 286 CA HIS A 22 -9.295 -13.495 14.340 1.00 0.00 C ATOM 287 C HIS A 22 -7.791 -13.688 14.173 1.00 0.00 C ATOM 288 O HIS A 22 -7.115 -12.927 13.482 1.00 0.00 O ATOM 289 CB HIS A 22 -10.015 -13.863 13.041 1.00 0.00 C ATOM 290 CG HIS A 22 -10.101 -15.339 12.803 1.00 0.00 C ATOM 291 ND1 HIS A 22 -10.692 -16.212 13.694 1.00 0.00 N ATOM 292 CD2 HIS A 22 -9.671 -16.095 11.767 1.00 0.00 C ATOM 293 CE1 HIS A 22 -10.618 -17.441 13.215 1.00 0.00 C ATOM 294 NE2 HIS A 22 -10.004 -17.398 12.047 1.00 0.00 N ATOM 0 H HIS A 22 -10.291 -11.662 14.119 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.642 -14.151 15.138 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.022 -13.447 13.063 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.496 -13.397 12.203 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.161 -15.740 10.884 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.996 -18.330 13.697 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.809 -18.201 11.450 1.00 0.00 H new ATOM 302 N PRO A 23 -7.252 -14.731 14.823 1.00 0.00 N ATOM 303 CA PRO A 23 -5.823 -15.049 14.763 1.00 0.00 C ATOM 304 C PRO A 23 -5.400 -15.560 13.390 1.00 0.00 C ATOM 305 O PRO A 23 -6.227 -16.032 12.611 1.00 0.00 O ATOM 306 CB PRO A 23 -5.658 -16.147 15.816 1.00 0.00 C ATOM 307 CG PRO A 23 -7.003 -16.780 15.916 1.00 0.00 C ATOM 308 CD PRO A 23 -7.998 -15.681 15.666 1.00 0.00 C ATOM 0 HA PRO A 23 -5.203 -14.171 14.943 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.901 -16.872 15.517 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.343 -15.733 16.774 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.113 -17.580 15.184 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.152 -17.225 16.900 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.889 -16.053 15.160 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.329 -15.219 16.596 1.00 0.00 H new ATOM 316 N GLY A 24 -4.105 -15.463 13.100 1.00 0.00 N ATOM 317 CA GLY A 24 -3.596 -15.922 11.820 1.00 0.00 C ATOM 318 C GLY A 24 -3.912 -14.959 10.693 1.00 0.00 C ATOM 319 O GLY A 24 -3.024 -14.563 9.937 1.00 0.00 O ATOM 0 H GLY A 24 -3.401 -15.075 13.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.516 -16.055 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.024 -16.898 11.591 1.00 0.00 H new ATOM 323 N CYS A 25 -5.181 -14.583 10.576 1.00 0.00 N ATOM 324 CA CYS A 25 -5.614 -13.663 9.532 1.00 0.00 C ATOM 325 C CYS A 25 -4.569 -12.576 9.296 1.00 0.00 C ATOM 326 O CYS A 25 -4.033 -12.443 8.196 1.00 0.00 O ATOM 327 CB CYS A 25 -6.953 -13.025 9.907 1.00 0.00 C ATOM 328 SG CYS A 25 -7.727 -12.073 8.561 1.00 0.00 S ATOM 0 H CYS A 25 -5.928 -14.902 11.193 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.736 -14.232 8.610 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.640 -13.809 10.225 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.803 -12.367 10.763 1.00 0.00 H new ATOM 333 N GLY A 26 -4.283 -11.802 10.339 1.00 0.00 N ATOM 334 CA GLY A 26 -3.303 -10.738 10.225 1.00 0.00 C ATOM 335 C GLY A 26 -3.687 -9.704 9.185 1.00 0.00 C ATOM 336 O GLY A 26 -2.889 -9.364 8.312 1.00 0.00 O ATOM 0 H GLY A 26 -4.712 -11.893 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.187 -10.250 11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.335 -11.166 9.966 1.00 0.00 H new ATOM 340 N LYS A 27 -4.915 -9.204 9.276 1.00 0.00 N ATOM 341 CA LYS A 27 -5.405 -8.203 8.336 1.00 0.00 C ATOM 342 C LYS A 27 -5.959 -6.989 9.073 1.00 0.00 C ATOM 343 O LYS A 27 -6.878 -7.106 9.884 1.00 0.00 O ATOM 344 CB LYS A 27 -6.488 -8.805 7.437 1.00 0.00 C ATOM 345 CG LYS A 27 -5.950 -9.390 6.144 1.00 0.00 C ATOM 346 CD LYS A 27 -6.932 -10.370 5.524 1.00 0.00 C ATOM 347 CE LYS A 27 -7.842 -9.686 4.515 1.00 0.00 C ATOM 348 NZ LYS A 27 -7.090 -9.223 3.315 1.00 0.00 N ATOM 0 H LYS A 27 -5.589 -9.476 9.992 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.567 -7.880 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.013 -9.585 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.221 -8.034 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.743 -8.586 5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.004 -9.895 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.384 -11.175 5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.535 -10.827 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.627 -10.377 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.333 -8.835 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.746 -9.111 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.636 -8.310 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.362 -9.924 3.070 1.00 0.00 H new ATOM 362 N THR A 28 -5.394 -5.819 8.786 1.00 0.00 N ATOM 363 CA THR A 28 -5.831 -4.583 9.422 1.00 0.00 C ATOM 364 C THR A 28 -6.360 -3.592 8.391 1.00 0.00 C ATOM 365 O THR A 28 -5.977 -3.634 7.223 1.00 0.00 O ATOM 366 CB THR A 28 -4.686 -3.923 10.212 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.021 -4.899 11.022 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.213 -2.800 11.093 1.00 0.00 C ATOM 0 H THR A 28 -4.633 -5.703 8.117 1.00 0.00 H new ATOM 0 HA THR A 28 -6.632 -4.848 10.112 1.00 0.00 H new ATOM 0 HB THR A 28 -3.978 -3.502 9.498 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.293 -4.470 11.519 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.386 -2.349 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.691 -2.044 10.471 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.940 -3.202 11.799 1.00 0.00 H new ATOM 376 N TYR A 29 -7.241 -2.701 8.833 1.00 0.00 N ATOM 377 CA TYR A 29 -7.825 -1.700 7.948 1.00 0.00 C ATOM 378 C TYR A 29 -7.868 -0.334 8.625 1.00 0.00 C ATOM 379 O TYR A 29 -7.928 -0.236 9.851 1.00 0.00 O ATOM 380 CB TYR A 29 -9.234 -2.119 7.528 1.00 0.00 C ATOM 381 CG TYR A 29 -9.268 -3.375 6.686 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.147 -3.311 5.304 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.418 -4.625 7.274 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.178 -4.457 4.531 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.448 -5.776 6.510 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.328 -5.686 5.138 1.00 0.00 C ATOM 387 OH TYR A 29 -9.357 -6.828 4.372 1.00 0.00 O ATOM 0 H TYR A 29 -7.566 -2.652 9.799 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.197 -1.626 7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.839 -2.274 8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.694 -1.304 6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.027 -2.350 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.513 -4.698 8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.085 -4.390 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.565 -6.740 6.983 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.815 -6.695 3.566 1.00 0.00 H new ATOM 397 N PHE A 30 -7.841 0.721 7.817 1.00 0.00 N ATOM 398 CA PHE A 30 -7.877 2.084 8.336 1.00 0.00 C ATOM 399 C PHE A 30 -9.298 2.479 8.724 1.00 0.00 C ATOM 400 O PHE A 30 -9.548 2.914 9.849 1.00 0.00 O ATOM 401 CB PHE A 30 -7.329 3.062 7.296 1.00 0.00 C ATOM 402 CG PHE A 30 -7.861 4.459 7.449 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.489 5.242 8.531 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.732 4.989 6.510 1.00 0.00 C ATOM 405 CE1 PHE A 30 -7.978 6.527 8.674 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.223 6.274 6.649 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.845 7.043 7.731 1.00 0.00 C ATOM 0 H PHE A 30 -7.794 0.658 6.800 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.251 2.125 9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.242 3.086 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.574 2.695 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.810 4.844 9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.030 4.392 5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.682 7.127 9.522 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.902 6.676 5.911 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.227 8.047 7.840 1.00 0.00 H new ATOM 417 N LYS A 31 -10.226 2.326 7.786 1.00 0.00 N ATOM 418 CA LYS A 31 -11.623 2.666 8.028 1.00 0.00 C ATOM 419 C LYS A 31 -12.199 1.826 9.164 1.00 0.00 C ATOM 420 O LYS A 31 -12.538 0.658 8.974 1.00 0.00 O ATOM 421 CB LYS A 31 -12.448 2.458 6.756 1.00 0.00 C ATOM 422 CG LYS A 31 -12.409 3.641 5.805 1.00 0.00 C ATOM 423 CD LYS A 31 -13.258 4.794 6.314 1.00 0.00 C ATOM 424 CE LYS A 31 -13.600 5.770 5.199 1.00 0.00 C ATOM 425 NZ LYS A 31 -13.920 7.125 5.726 1.00 0.00 N ATOM 0 H LYS A 31 -10.036 1.968 6.850 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.670 3.716 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.082 1.573 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.483 2.259 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.379 3.974 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.766 3.331 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.177 4.405 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.724 5.318 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.761 5.839 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.450 5.391 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.148 7.760 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.737 7.064 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.100 7.498 6.245 1.00 0.00 H new ATOM 439 N SER A 32 -12.308 2.429 10.343 1.00 0.00 N ATOM 440 CA SER A 32 -12.841 1.735 11.510 1.00 0.00 C ATOM 441 C SER A 32 -14.033 0.863 11.125 1.00 0.00 C ATOM 442 O SER A 32 -14.312 -0.146 11.774 1.00 0.00 O ATOM 443 CB SER A 32 -13.257 2.743 12.583 1.00 0.00 C ATOM 444 OG SER A 32 -14.211 3.661 12.077 1.00 0.00 O ATOM 0 H SER A 32 -12.035 3.396 10.516 1.00 0.00 H new ATOM 0 HA SER A 32 -12.057 1.092 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.675 2.215 13.440 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.380 3.284 12.938 1.00 0.00 H new ATOM 0 HG SER A 32 -14.462 4.294 12.782 1.00 0.00 H new ATOM 450 N SER A 33 -14.730 1.258 10.066 1.00 0.00 N ATOM 451 CA SER A 33 -15.894 0.515 9.596 1.00 0.00 C ATOM 452 C SER A 33 -15.469 -0.728 8.821 1.00 0.00 C ATOM 453 O SER A 33 -15.966 -1.827 9.067 1.00 0.00 O ATOM 454 CB SER A 33 -16.771 1.405 8.713 1.00 0.00 C ATOM 455 OG SER A 33 -18.126 0.996 8.763 1.00 0.00 O ATOM 0 H SER A 33 -14.510 2.088 9.516 1.00 0.00 H new ATOM 0 HA SER A 33 -16.469 0.200 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.688 2.441 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.414 1.366 7.684 1.00 0.00 H new ATOM 0 HG SER A 33 -18.666 1.582 8.192 1.00 0.00 H new ATOM 461 N HIS A 34 -14.544 -0.546 7.883 1.00 0.00 N ATOM 462 CA HIS A 34 -14.051 -1.651 7.071 1.00 0.00 C ATOM 463 C HIS A 34 -14.033 -2.949 7.874 1.00 0.00 C ATOM 464 O HIS A 34 -14.658 -3.938 7.487 1.00 0.00 O ATOM 465 CB HIS A 34 -12.647 -1.343 6.550 1.00 0.00 C ATOM 466 CG HIS A 34 -12.641 -0.609 5.243 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.531 -0.530 4.430 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.620 0.079 4.610 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.826 0.177 3.353 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.088 0.557 3.438 1.00 0.00 N ATOM 0 H HIS A 34 -14.121 0.357 7.667 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.726 -1.776 6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.115 -0.749 7.293 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.098 -2.277 6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.631 0.225 4.961 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.150 0.405 2.542 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.587 1.115 2.745 1.00 0.00 H new ATOM 478 N LEU A 35 -13.315 -2.939 8.990 1.00 0.00 N ATOM 479 CA LEU A 35 -13.215 -4.115 9.848 1.00 0.00 C ATOM 480 C LEU A 35 -14.552 -4.846 9.926 1.00 0.00 C ATOM 481 O LEU A 35 -14.648 -6.025 9.583 1.00 0.00 O ATOM 482 CB LEU A 35 -12.758 -3.711 11.250 1.00 0.00 C ATOM 483 CG LEU A 35 -12.717 -4.831 12.291 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.573 -5.789 12.000 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.587 -4.252 13.692 1.00 0.00 C ATOM 0 H LEU A 35 -12.792 -2.129 9.323 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.477 -4.790 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.762 -3.276 11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.421 -2.927 11.615 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.652 -5.388 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.560 -6.579 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.710 -6.230 11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.628 -5.246 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.559 -5.063 14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.668 -3.671 13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.441 -3.607 13.900 1.00 0.00 H new ATOM 497 N LYS A 36 -15.581 -4.138 10.378 1.00 0.00 N ATOM 498 CA LYS A 36 -16.914 -4.717 10.498 1.00 0.00 C ATOM 499 C LYS A 36 -17.307 -5.449 9.219 1.00 0.00 C ATOM 500 O LYS A 36 -17.851 -6.552 9.267 1.00 0.00 O ATOM 501 CB LYS A 36 -17.940 -3.625 10.810 1.00 0.00 C ATOM 502 CG LYS A 36 -19.368 -4.136 10.884 1.00 0.00 C ATOM 503 CD LYS A 36 -20.370 -3.048 10.534 1.00 0.00 C ATOM 504 CE LYS A 36 -20.384 -2.764 9.040 1.00 0.00 C ATOM 505 NZ LYS A 36 -20.885 -3.929 8.259 1.00 0.00 N ATOM 0 H LYS A 36 -15.518 -3.162 10.667 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.898 -5.437 11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.681 -3.156 11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.879 -2.851 10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.490 -4.977 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.570 -4.508 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.366 -3.351 10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.123 -2.136 11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.013 -1.896 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.377 -2.511 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.152 -3.617 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.138 -4.649 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.715 -4.335 8.735 1.00 0.00 H new ATOM 519 N ALA A 37 -17.028 -4.829 8.078 1.00 0.00 N ATOM 520 CA ALA A 37 -17.348 -5.424 6.787 1.00 0.00 C ATOM 521 C ALA A 37 -16.474 -6.642 6.510 1.00 0.00 C ATOM 522 O ALA A 37 -16.903 -7.590 5.853 1.00 0.00 O ATOM 523 CB ALA A 37 -17.189 -4.395 5.678 1.00 0.00 C ATOM 0 H ALA A 37 -16.581 -3.914 8.021 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.386 -5.755 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.431 -4.853 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.862 -3.557 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.160 -4.036 5.659 1.00 0.00 H new ATOM 529 N HIS A 38 -15.246 -6.609 7.017 1.00 0.00 N ATOM 530 CA HIS A 38 -14.310 -7.712 6.824 1.00 0.00 C ATOM 531 C HIS A 38 -14.783 -8.961 7.562 1.00 0.00 C ATOM 532 O HIS A 38 -14.976 -10.016 6.957 1.00 0.00 O ATOM 533 CB HIS A 38 -12.915 -7.316 7.310 1.00 0.00 C ATOM 534 CG HIS A 38 -11.995 -8.482 7.505 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.366 -9.127 6.462 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.599 -9.117 8.634 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.623 -10.109 6.939 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.747 -10.125 8.254 1.00 0.00 N ATOM 0 H HIS A 38 -14.876 -5.832 7.564 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.265 -7.936 5.758 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.470 -6.629 6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.007 -6.775 8.252 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.460 -8.884 5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.897 -8.876 9.644 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.017 -10.784 6.353 1.00 0.00 H new ATOM 546 N THR A 39 -14.966 -8.834 8.872 1.00 0.00 N ATOM 547 CA THR A 39 -15.414 -9.953 9.693 1.00 0.00 C ATOM 548 C THR A 39 -16.464 -10.784 8.964 1.00 0.00 C ATOM 549 O THR A 39 -16.577 -11.990 9.182 1.00 0.00 O ATOM 550 CB THR A 39 -15.999 -9.468 11.033 1.00 0.00 C ATOM 551 OG1 THR A 39 -15.031 -8.676 11.732 1.00 0.00 O ATOM 552 CG2 THR A 39 -16.417 -10.646 11.899 1.00 0.00 C ATOM 0 H THR A 39 -14.811 -7.968 9.388 1.00 0.00 H new ATOM 0 HA THR A 39 -14.538 -10.571 9.890 1.00 0.00 H new ATOM 0 HB THR A 39 -16.880 -8.862 10.821 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.411 -8.370 12.582 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.827 -10.279 12.840 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.174 -11.231 11.377 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.550 -11.274 12.102 1.00 0.00 H new ATOM 560 N ARG A 40 -17.231 -10.131 8.098 1.00 0.00 N ATOM 561 CA ARG A 40 -18.274 -10.809 7.336 1.00 0.00 C ATOM 562 C ARG A 40 -17.718 -12.049 6.641 1.00 0.00 C ATOM 563 O ARG A 40 -18.319 -13.122 6.688 1.00 0.00 O ATOM 564 CB ARG A 40 -18.880 -9.859 6.302 1.00 0.00 C ATOM 565 CG ARG A 40 -19.669 -8.714 6.916 1.00 0.00 C ATOM 566 CD ARG A 40 -20.027 -7.664 5.875 1.00 0.00 C ATOM 567 NE ARG A 40 -21.162 -8.074 5.053 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.953 -7.219 4.414 1.00 0.00 C ATOM 569 NH1 ARG A 40 -21.734 -5.914 4.502 1.00 0.00 N ATOM 570 NH2 ARG A 40 -22.966 -7.669 3.684 1.00 0.00 N ATOM 0 H ARG A 40 -17.150 -9.133 7.906 1.00 0.00 H new ATOM 0 HA ARG A 40 -19.053 -11.121 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.080 -9.449 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.534 -10.426 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.580 -9.102 7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.085 -8.254 7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.262 -6.724 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.164 -7.479 5.235 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.358 -9.071 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.956 -5.564 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.343 -5.260 4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.138 -8.672 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.573 -7.012 3.194 1.00 0.00 H new ATOM 584 N THR A 41 -16.567 -11.893 5.994 1.00 0.00 N ATOM 585 CA THR A 41 -15.932 -12.998 5.288 1.00 0.00 C ATOM 586 C THR A 41 -15.630 -14.155 6.234 1.00 0.00 C ATOM 587 O THR A 41 -15.614 -15.316 5.824 1.00 0.00 O ATOM 588 CB THR A 41 -14.624 -12.552 4.607 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.998 -13.669 3.968 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.668 -11.939 5.620 1.00 0.00 C ATOM 0 H THR A 41 -16.056 -11.012 5.945 1.00 0.00 H new ATOM 0 HA THR A 41 -16.636 -13.331 4.525 1.00 0.00 H new ATOM 0 HB THR A 41 -14.869 -11.798 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.168 -13.376 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.752 -11.632 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.136 -11.070 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.430 -12.675 6.388 1.00 0.00 H new ATOM 598 N HIS A 42 -15.392 -13.830 7.501 1.00 0.00 N ATOM 599 CA HIS A 42 -15.092 -14.844 8.505 1.00 0.00 C ATOM 600 C HIS A 42 -16.354 -15.600 8.908 1.00 0.00 C ATOM 601 O HIS A 42 -16.369 -16.831 8.945 1.00 0.00 O ATOM 602 CB HIS A 42 -14.455 -14.199 9.737 1.00 0.00 C ATOM 603 CG HIS A 42 -12.990 -13.931 9.582 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.053 -14.931 9.435 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.302 -12.765 9.551 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.852 -14.394 9.321 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.975 -13.080 9.388 1.00 0.00 N ATOM 0 H HIS A 42 -15.401 -12.874 7.856 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.388 -15.553 8.070 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.967 -13.261 9.952 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.608 -14.850 10.598 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.256 -15.930 9.417 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.719 -11.773 9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.927 -14.936 9.195 1.00 0.00 H new ATOM 615 N THR A 43 -17.414 -14.856 9.209 1.00 0.00 N ATOM 616 CA THR A 43 -18.680 -15.455 9.612 1.00 0.00 C ATOM 617 C THR A 43 -19.536 -15.798 8.397 1.00 0.00 C ATOM 618 O THR A 43 -19.840 -14.934 7.576 1.00 0.00 O ATOM 619 CB THR A 43 -19.476 -14.517 10.538 1.00 0.00 C ATOM 620 OG1 THR A 43 -19.708 -13.264 9.886 1.00 0.00 O ATOM 621 CG2 THR A 43 -18.731 -14.285 11.844 1.00 0.00 C ATOM 0 H THR A 43 -17.420 -13.836 9.181 1.00 0.00 H new ATOM 0 HA THR A 43 -18.439 -16.369 10.154 1.00 0.00 H new ATOM 0 HB THR A 43 -20.432 -14.991 10.763 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.696 -13.393 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 43 -19.313 -13.619 12.482 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.583 -15.238 12.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.762 -13.832 11.635 1.00 0.00 H new ATOM 629 N GLY A 44 -19.921 -17.067 8.290 1.00 0.00 N ATOM 630 CA GLY A 44 -20.739 -17.501 7.173 1.00 0.00 C ATOM 631 C GLY A 44 -19.945 -18.281 6.143 1.00 0.00 C ATOM 632 O GLY A 44 -18.730 -18.424 6.265 1.00 0.00 O ATOM 0 H GLY A 44 -19.681 -17.801 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -21.556 -18.121 7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -21.190 -16.630 6.697 1.00 0.00 H new ATOM 636 N GLU A 45 -20.636 -18.788 5.127 1.00 0.00 N ATOM 637 CA GLU A 45 -19.989 -19.560 4.073 1.00 0.00 C ATOM 638 C GLU A 45 -19.405 -18.640 3.005 1.00 0.00 C ATOM 639 O GLU A 45 -18.215 -18.705 2.695 1.00 0.00 O ATOM 640 CB GLU A 45 -20.984 -20.532 3.436 1.00 0.00 C ATOM 641 CG GLU A 45 -20.325 -21.734 2.779 1.00 0.00 C ATOM 642 CD GLU A 45 -19.202 -22.315 3.615 1.00 0.00 C ATOM 643 OE1 GLU A 45 -19.357 -22.378 4.853 1.00 0.00 O ATOM 644 OE2 GLU A 45 -18.168 -22.704 3.034 1.00 0.00 O ATOM 0 H GLU A 45 -21.643 -18.678 5.012 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.175 -20.129 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -21.678 -20.881 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -21.573 -19.999 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.076 -22.504 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.933 -21.441 1.805 1.00 0.00 H new ATOM 651 N LYS A 46 -20.251 -17.783 2.444 1.00 0.00 N ATOM 652 CA LYS A 46 -19.822 -16.848 1.411 1.00 0.00 C ATOM 653 C LYS A 46 -20.349 -15.445 1.694 1.00 0.00 C ATOM 654 O LYS A 46 -21.556 -15.213 1.774 1.00 0.00 O ATOM 655 CB LYS A 46 -20.305 -17.318 0.037 1.00 0.00 C ATOM 656 CG LYS A 46 -19.633 -18.594 -0.440 1.00 0.00 C ATOM 657 CD LYS A 46 -20.497 -19.336 -1.445 1.00 0.00 C ATOM 658 CE LYS A 46 -21.604 -20.121 -0.757 1.00 0.00 C ATOM 659 NZ LYS A 46 -22.567 -20.698 -1.735 1.00 0.00 N ATOM 0 H LYS A 46 -21.239 -17.717 2.688 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.732 -16.815 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -21.383 -17.477 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -20.125 -16.528 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -18.672 -18.353 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -19.430 -19.240 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -20.935 -18.625 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.876 -20.016 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.165 -20.923 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -22.136 -19.468 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -23.534 -20.610 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -22.495 -20.186 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -22.346 -21.702 -1.889 1.00 0.00 H new ATOM 673 N PRO A 47 -19.425 -14.484 1.849 1.00 0.00 N ATOM 674 CA PRO A 47 -19.773 -13.088 2.124 1.00 0.00 C ATOM 675 C PRO A 47 -20.423 -12.406 0.924 1.00 0.00 C ATOM 676 O PRO A 47 -21.347 -11.606 1.077 1.00 0.00 O ATOM 677 CB PRO A 47 -18.423 -12.441 2.440 1.00 0.00 C ATOM 678 CG PRO A 47 -17.422 -13.289 1.735 1.00 0.00 C ATOM 679 CD PRO A 47 -17.970 -14.690 1.767 1.00 0.00 C ATOM 0 HA PRO A 47 -20.502 -13.001 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.386 -11.410 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.237 -12.418 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -17.277 -12.950 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.451 -13.238 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -17.693 -15.251 0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.594 -15.249 2.624 1.00 0.00 H new ATOM 687 N PHE A 48 -19.935 -12.727 -0.270 1.00 0.00 N ATOM 688 CA PHE A 48 -20.468 -12.145 -1.495 1.00 0.00 C ATOM 689 C PHE A 48 -21.573 -13.021 -2.078 1.00 0.00 C ATOM 690 O PHE A 48 -21.521 -14.247 -1.987 1.00 0.00 O ATOM 691 CB PHE A 48 -19.351 -11.961 -2.525 1.00 0.00 C ATOM 692 CG PHE A 48 -18.134 -11.273 -1.974 1.00 0.00 C ATOM 693 CD1 PHE A 48 -18.025 -9.893 -2.010 1.00 0.00 C ATOM 694 CD2 PHE A 48 -17.099 -12.009 -1.418 1.00 0.00 C ATOM 695 CE1 PHE A 48 -16.907 -9.258 -1.504 1.00 0.00 C ATOM 696 CE2 PHE A 48 -15.979 -11.379 -0.909 1.00 0.00 C ATOM 697 CZ PHE A 48 -15.882 -10.002 -0.954 1.00 0.00 C ATOM 0 H PHE A 48 -19.171 -13.387 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 48 -20.892 -11.171 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -19.062 -12.937 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -19.735 -11.384 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.824 -9.306 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -17.169 -13.086 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -16.835 -8.181 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.180 -11.963 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.006 -9.508 -0.560 1.00 0.00 H new ATOM 707 N SER A 49 -22.573 -12.381 -2.677 1.00 0.00 N ATOM 708 CA SER A 49 -23.693 -13.101 -3.271 1.00 0.00 C ATOM 709 C SER A 49 -24.307 -12.301 -4.415 1.00 0.00 C ATOM 710 O SER A 49 -24.706 -11.149 -4.239 1.00 0.00 O ATOM 711 CB SER A 49 -24.757 -13.396 -2.211 1.00 0.00 C ATOM 712 OG SER A 49 -25.186 -12.205 -1.574 1.00 0.00 O ATOM 0 H SER A 49 -22.630 -11.366 -2.763 1.00 0.00 H new ATOM 0 HA SER A 49 -23.317 -14.043 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 49 -25.610 -13.891 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 49 -24.354 -14.085 -1.468 1.00 0.00 H new ATOM 0 HG SER A 49 -25.068 -11.447 -2.184 1.00 0.00 H new ATOM 718 N CYS A 50 -24.380 -12.920 -5.588 1.00 0.00 N ATOM 719 CA CYS A 50 -24.945 -12.267 -6.764 1.00 0.00 C ATOM 720 C CYS A 50 -26.300 -11.644 -6.442 1.00 0.00 C ATOM 721 O CYS A 50 -26.470 -10.428 -6.517 1.00 0.00 O ATOM 722 CB CYS A 50 -25.091 -13.271 -7.909 1.00 0.00 C ATOM 723 SG CYS A 50 -25.339 -12.504 -9.543 1.00 0.00 S ATOM 0 H CYS A 50 -24.055 -13.873 -5.750 1.00 0.00 H new ATOM 0 HA CYS A 50 -24.264 -11.473 -7.071 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -24.200 -13.897 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -25.934 -13.928 -7.696 1.00 0.00 H new ATOM 728 N SER A 51 -27.262 -12.488 -6.083 1.00 0.00 N ATOM 729 CA SER A 51 -28.604 -12.022 -5.753 1.00 0.00 C ATOM 730 C SER A 51 -29.229 -11.286 -6.934 1.00 0.00 C ATOM 731 O SER A 51 -29.781 -10.196 -6.778 1.00 0.00 O ATOM 732 CB SER A 51 -28.562 -11.105 -4.530 1.00 0.00 C ATOM 733 OG SER A 51 -29.768 -11.183 -3.791 1.00 0.00 O ATOM 0 H SER A 51 -27.137 -13.498 -6.013 1.00 0.00 H new ATOM 0 HA SER A 51 -29.218 -12.893 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 51 -27.723 -11.383 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 51 -28.393 -10.076 -4.849 1.00 0.00 H new ATOM 0 HG SER A 51 -29.714 -10.589 -3.014 1.00 0.00 H new ATOM 739 N TRP A 52 -29.139 -11.889 -8.113 1.00 0.00 N ATOM 740 CA TRP A 52 -29.696 -11.291 -9.322 1.00 0.00 C ATOM 741 C TRP A 52 -31.142 -11.729 -9.529 1.00 0.00 C ATOM 742 O TRP A 52 -31.654 -12.579 -8.801 1.00 0.00 O ATOM 743 CB TRP A 52 -28.854 -11.676 -10.540 1.00 0.00 C ATOM 744 CG TRP A 52 -29.193 -10.888 -11.769 1.00 0.00 C ATOM 745 CD1 TRP A 52 -29.619 -11.383 -12.969 1.00 0.00 C ATOM 746 CD2 TRP A 52 -29.132 -9.465 -11.919 1.00 0.00 C ATOM 747 NE1 TRP A 52 -29.827 -10.354 -13.855 1.00 0.00 N ATOM 748 CE2 TRP A 52 -29.536 -9.167 -13.235 1.00 0.00 C ATOM 749 CE3 TRP A 52 -28.778 -8.415 -11.069 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -29.592 -7.863 -13.718 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -28.834 -7.120 -11.550 1.00 0.00 C ATOM 752 CH2 TRP A 52 -29.240 -6.853 -12.865 1.00 0.00 C ATOM 0 H TRP A 52 -28.686 -12.791 -8.259 1.00 0.00 H new ATOM 0 HA TRP A 52 -29.678 -10.208 -9.204 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -27.800 -11.532 -10.304 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -28.992 -12.737 -10.748 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -29.770 -12.430 -13.189 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -30.146 -10.457 -14.818 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -28.466 -8.611 -10.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -29.903 -7.656 -14.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -28.560 -6.301 -10.902 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -29.276 -5.831 -13.211 1.00 0.00 H new ATOM 763 N LYS A 53 -31.795 -11.143 -10.527 1.00 0.00 N ATOM 764 CA LYS A 53 -33.182 -11.472 -10.832 1.00 0.00 C ATOM 765 C LYS A 53 -33.465 -12.945 -10.555 1.00 0.00 C ATOM 766 O LYS A 53 -34.194 -13.282 -9.622 1.00 0.00 O ATOM 767 CB LYS A 53 -33.496 -11.149 -12.294 1.00 0.00 C ATOM 768 CG LYS A 53 -34.952 -10.797 -12.541 1.00 0.00 C ATOM 769 CD LYS A 53 -35.136 -10.082 -13.870 1.00 0.00 C ATOM 770 CE LYS A 53 -36.579 -9.646 -14.073 1.00 0.00 C ATOM 771 NZ LYS A 53 -37.438 -10.770 -14.538 1.00 0.00 N ATOM 0 H LYS A 53 -31.385 -10.437 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 53 -33.822 -10.869 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -32.870 -10.316 -12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -33.228 -12.006 -12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -35.554 -11.706 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -35.316 -10.163 -11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -34.483 -9.210 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -34.836 -10.742 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -36.974 -9.250 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -36.615 -8.836 -14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -38.413 -10.432 -14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -37.077 -11.131 -15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -37.425 -11.533 -13.831 1.00 0.00 H new ATOM 785 N GLY A 54 -32.882 -13.819 -11.369 1.00 0.00 N ATOM 786 CA GLY A 54 -33.082 -15.246 -11.193 1.00 0.00 C ATOM 787 C GLY A 54 -31.786 -16.028 -11.271 1.00 0.00 C ATOM 788 O GLY A 54 -31.713 -17.057 -11.943 1.00 0.00 O ATOM 0 H GLY A 54 -32.274 -13.565 -12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -33.554 -15.427 -10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -33.769 -15.610 -11.957 1.00 0.00 H new ATOM 792 N CYS A 55 -30.759 -15.537 -10.584 1.00 0.00 N ATOM 793 CA CYS A 55 -29.458 -16.195 -10.579 1.00 0.00 C ATOM 794 C CYS A 55 -29.290 -17.060 -9.334 1.00 0.00 C ATOM 795 O CYS A 55 -29.189 -18.284 -9.425 1.00 0.00 O ATOM 796 CB CYS A 55 -28.338 -15.156 -10.646 1.00 0.00 C ATOM 797 SG CYS A 55 -26.674 -15.869 -10.849 1.00 0.00 S ATOM 0 H CYS A 55 -30.803 -14.686 -10.024 1.00 0.00 H new ATOM 0 HA CYS A 55 -29.401 -16.839 -11.457 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -28.535 -14.478 -11.476 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -28.357 -14.558 -9.735 1.00 0.00 H new ATOM 802 N GLU A 56 -29.265 -16.415 -8.172 1.00 0.00 N ATOM 803 CA GLU A 56 -29.109 -17.127 -6.907 1.00 0.00 C ATOM 804 C GLU A 56 -27.761 -17.841 -6.847 1.00 0.00 C ATOM 805 O GLU A 56 -27.668 -18.974 -6.375 1.00 0.00 O ATOM 806 CB GLU A 56 -30.243 -18.138 -6.723 1.00 0.00 C ATOM 807 CG GLU A 56 -30.332 -18.701 -5.315 1.00 0.00 C ATOM 808 CD GLU A 56 -30.247 -17.624 -4.249 1.00 0.00 C ATOM 809 OE1 GLU A 56 -31.300 -17.047 -3.906 1.00 0.00 O ATOM 810 OE2 GLU A 56 -29.129 -17.361 -3.760 1.00 0.00 O ATOM 0 H GLU A 56 -29.350 -15.403 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 56 -29.149 -16.396 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -31.190 -17.660 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -30.104 -18.959 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -31.271 -19.244 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -29.527 -19.421 -5.164 1.00 0.00 H new ATOM 817 N ARG A 57 -26.721 -17.169 -7.329 1.00 0.00 N ATOM 818 CA ARG A 57 -25.378 -17.739 -7.331 1.00 0.00 C ATOM 819 C ARG A 57 -24.429 -16.897 -6.484 1.00 0.00 C ATOM 820 O ARG A 57 -24.161 -15.738 -6.799 1.00 0.00 O ATOM 821 CB ARG A 57 -24.848 -17.840 -8.762 1.00 0.00 C ATOM 822 CG ARG A 57 -25.605 -18.838 -9.624 1.00 0.00 C ATOM 823 CD ARG A 57 -25.085 -20.253 -9.426 1.00 0.00 C ATOM 824 NE ARG A 57 -26.086 -21.258 -9.774 1.00 0.00 N ATOM 825 CZ ARG A 57 -26.076 -22.500 -9.301 1.00 0.00 C ATOM 826 NH1 ARG A 57 -25.124 -22.886 -8.464 1.00 0.00 N ATOM 827 NH2 ARG A 57 -27.022 -23.356 -9.665 1.00 0.00 N ATOM 0 H ARG A 57 -26.782 -16.230 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 57 -25.433 -18.738 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.899 -16.857 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -23.796 -18.124 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -26.666 -18.802 -9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -25.511 -18.558 -10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.195 -20.401 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -24.784 -20.386 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.834 -20.992 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -24.397 -22.229 -8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -25.119 -23.840 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -27.757 -23.061 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -27.014 -24.309 -9.302 1.00 0.00 H new ATOM 841 N ARG A 58 -23.923 -17.490 -5.407 1.00 0.00 N ATOM 842 CA ARG A 58 -23.006 -16.794 -4.513 1.00 0.00 C ATOM 843 C ARG A 58 -21.562 -17.202 -4.792 1.00 0.00 C ATOM 844 O ARG A 58 -21.303 -18.108 -5.585 1.00 0.00 O ATOM 845 CB ARG A 58 -23.357 -17.091 -3.054 1.00 0.00 C ATOM 846 CG ARG A 58 -24.812 -16.816 -2.710 1.00 0.00 C ATOM 847 CD ARG A 58 -25.193 -17.424 -1.370 1.00 0.00 C ATOM 848 NE ARG A 58 -24.708 -16.625 -0.248 1.00 0.00 N ATOM 849 CZ ARG A 58 -24.471 -17.123 0.960 1.00 0.00 C ATOM 850 NH1 ARG A 58 -24.673 -18.411 1.202 1.00 0.00 N ATOM 851 NH2 ARG A 58 -24.031 -16.332 1.931 1.00 0.00 N ATOM 0 H ARG A 58 -24.133 -18.450 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 58 -23.106 -15.724 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -23.133 -18.136 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -22.719 -16.490 -2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -24.984 -15.740 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -25.455 -17.223 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -26.277 -17.514 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -24.785 -18.432 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 58 -24.542 -15.630 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -25.011 -19.023 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -24.490 -18.790 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.875 -15.341 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -23.849 -16.716 2.858 1.00 0.00 H new ATOM 865 N PHE A 59 -20.625 -16.526 -4.135 1.00 0.00 N ATOM 866 CA PHE A 59 -19.206 -16.817 -4.314 1.00 0.00 C ATOM 867 C PHE A 59 -18.413 -16.443 -3.066 1.00 0.00 C ATOM 868 O PHE A 59 -18.835 -15.595 -2.280 1.00 0.00 O ATOM 869 CB PHE A 59 -18.658 -16.061 -5.526 1.00 0.00 C ATOM 870 CG PHE A 59 -19.471 -16.256 -6.773 1.00 0.00 C ATOM 871 CD1 PHE A 59 -20.611 -15.501 -6.998 1.00 0.00 C ATOM 872 CD2 PHE A 59 -19.097 -17.195 -7.721 1.00 0.00 C ATOM 873 CE1 PHE A 59 -21.361 -15.679 -8.145 1.00 0.00 C ATOM 874 CE2 PHE A 59 -19.844 -17.377 -8.869 1.00 0.00 C ATOM 875 CZ PHE A 59 -20.977 -16.617 -9.082 1.00 0.00 C ATOM 0 H PHE A 59 -20.822 -15.774 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 59 -19.099 -17.888 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -18.616 -14.997 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.635 -16.386 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -20.917 -14.765 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -18.211 -17.792 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -22.248 -15.084 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -19.542 -18.113 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 59 -21.561 -16.756 -9.980 1.00 0.00 H new ATOM 885 N ALA A 60 -17.262 -17.083 -2.889 1.00 0.00 N ATOM 886 CA ALA A 60 -16.409 -16.818 -1.738 1.00 0.00 C ATOM 887 C ALA A 60 -15.379 -15.738 -2.054 1.00 0.00 C ATOM 888 O ALA A 60 -15.120 -14.855 -1.236 1.00 0.00 O ATOM 889 CB ALA A 60 -15.716 -18.095 -1.288 1.00 0.00 C ATOM 0 H ALA A 60 -16.899 -17.789 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.040 -16.455 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -15.082 -17.881 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.465 -18.837 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -15.104 -18.483 -2.102 1.00 0.00 H new ATOM 895 N ARG A 61 -14.795 -15.817 -3.246 1.00 0.00 N ATOM 896 CA ARG A 61 -13.791 -14.846 -3.668 1.00 0.00 C ATOM 897 C ARG A 61 -14.440 -13.685 -4.417 1.00 0.00 C ATOM 898 O ARG A 61 -15.444 -13.862 -5.106 1.00 0.00 O ATOM 899 CB ARG A 61 -12.745 -15.520 -4.558 1.00 0.00 C ATOM 900 CG ARG A 61 -12.066 -16.713 -3.905 1.00 0.00 C ATOM 901 CD ARG A 61 -10.948 -16.275 -2.972 1.00 0.00 C ATOM 902 NE ARG A 61 -11.439 -15.981 -1.628 1.00 0.00 N ATOM 903 CZ ARG A 61 -10.645 -15.716 -0.597 1.00 0.00 C ATOM 904 NH1 ARG A 61 -9.328 -15.710 -0.754 1.00 0.00 N ATOM 905 NH2 ARG A 61 -11.168 -15.457 0.594 1.00 0.00 N ATOM 0 H ARG A 61 -14.999 -16.541 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.302 -14.453 -2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.222 -15.846 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.987 -14.786 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.802 -17.291 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.662 -17.370 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.193 -17.059 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.460 -15.390 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.447 -15.979 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.922 -15.909 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.721 -15.506 0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.180 -15.461 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.558 -15.254 1.386 1.00 0.00 H new ATOM 919 N SER A 62 -13.859 -12.499 -4.275 1.00 0.00 N ATOM 920 CA SER A 62 -14.382 -11.307 -4.933 1.00 0.00 C ATOM 921 C SER A 62 -14.259 -11.427 -6.449 1.00 0.00 C ATOM 922 O SER A 62 -15.263 -11.473 -7.163 1.00 0.00 O ATOM 923 CB SER A 62 -13.639 -10.061 -4.448 1.00 0.00 C ATOM 924 OG SER A 62 -13.521 -10.057 -3.035 1.00 0.00 O ATOM 0 H SER A 62 -13.025 -12.337 -3.710 1.00 0.00 H new ATOM 0 HA SER A 62 -15.437 -11.214 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.647 -10.026 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.170 -9.167 -4.775 1.00 0.00 H new ATOM 0 HG SER A 62 -14.414 -10.053 -2.632 1.00 0.00 H new ATOM 930 N ASP A 63 -13.024 -11.477 -6.935 1.00 0.00 N ATOM 931 CA ASP A 63 -12.769 -11.593 -8.366 1.00 0.00 C ATOM 932 C ASP A 63 -13.767 -12.542 -9.021 1.00 0.00 C ATOM 933 O ASP A 63 -14.292 -12.260 -10.099 1.00 0.00 O ATOM 934 CB ASP A 63 -11.342 -12.084 -8.613 1.00 0.00 C ATOM 935 CG ASP A 63 -10.345 -10.945 -8.700 1.00 0.00 C ATOM 936 OD1 ASP A 63 -9.969 -10.403 -7.639 1.00 0.00 O ATOM 937 OD2 ASP A 63 -9.939 -10.597 -9.828 1.00 0.00 O ATOM 0 H ASP A 63 -12.183 -11.439 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 63 -12.888 -10.606 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.049 -12.759 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.314 -12.659 -9.538 1.00 0.00 H new ATOM 942 N GLU A 64 -14.024 -13.669 -8.364 1.00 0.00 N ATOM 943 CA GLU A 64 -14.958 -14.660 -8.885 1.00 0.00 C ATOM 944 C GLU A 64 -16.297 -14.016 -9.233 1.00 0.00 C ATOM 945 O GLU A 64 -16.853 -14.253 -10.307 1.00 0.00 O ATOM 946 CB GLU A 64 -15.169 -15.780 -7.864 1.00 0.00 C ATOM 947 CG GLU A 64 -14.191 -16.933 -8.016 1.00 0.00 C ATOM 948 CD GLU A 64 -14.277 -17.596 -9.377 1.00 0.00 C ATOM 949 OE1 GLU A 64 -15.143 -18.480 -9.552 1.00 0.00 O ATOM 950 OE2 GLU A 64 -13.481 -17.233 -10.267 1.00 0.00 O ATOM 0 H GLU A 64 -13.599 -13.918 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.530 -15.082 -9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.077 -15.367 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.186 -16.161 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.177 -16.567 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.387 -17.675 -7.242 1.00 0.00 H new ATOM 957 N LEU A 65 -16.810 -13.201 -8.317 1.00 0.00 N ATOM 958 CA LEU A 65 -18.085 -12.522 -8.526 1.00 0.00 C ATOM 959 C LEU A 65 -18.019 -11.602 -9.741 1.00 0.00 C ATOM 960 O LEU A 65 -18.768 -11.773 -10.703 1.00 0.00 O ATOM 961 CB LEU A 65 -18.465 -11.717 -7.283 1.00 0.00 C ATOM 962 CG LEU A 65 -19.698 -10.822 -7.414 1.00 0.00 C ATOM 963 CD1 LEU A 65 -20.923 -11.650 -7.767 1.00 0.00 C ATOM 964 CD2 LEU A 65 -19.930 -10.043 -6.127 1.00 0.00 C ATOM 0 H LEU A 65 -16.363 -12.994 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.847 -13.280 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.632 -12.413 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -17.616 -11.093 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.523 -10.109 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -21.791 -10.996 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.755 -12.162 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -21.102 -12.386 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -20.811 -9.411 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.084 -10.740 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.061 -9.420 -5.917 1.00 0.00 H new ATOM 976 N SER A 66 -17.117 -10.628 -9.690 1.00 0.00 N ATOM 977 CA SER A 66 -16.954 -9.679 -10.786 1.00 0.00 C ATOM 978 C SER A 66 -16.831 -10.407 -12.121 1.00 0.00 C ATOM 979 O SER A 66 -17.436 -10.009 -13.116 1.00 0.00 O ATOM 980 CB SER A 66 -15.720 -8.805 -10.554 1.00 0.00 C ATOM 981 OG SER A 66 -15.758 -7.643 -11.363 1.00 0.00 O ATOM 0 H SER A 66 -16.488 -10.475 -8.902 1.00 0.00 H new ATOM 0 HA SER A 66 -17.839 -9.044 -10.818 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.666 -8.519 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.819 -9.377 -10.776 1.00 0.00 H new ATOM 0 HG SER A 66 -14.959 -7.101 -11.195 1.00 0.00 H new ATOM 987 N ARG A 67 -16.043 -11.477 -12.134 1.00 0.00 N ATOM 988 CA ARG A 67 -15.838 -12.261 -13.346 1.00 0.00 C ATOM 989 C ARG A 67 -17.126 -12.965 -13.763 1.00 0.00 C ATOM 990 O ARG A 67 -17.315 -13.297 -14.933 1.00 0.00 O ATOM 991 CB ARG A 67 -14.729 -13.292 -13.131 1.00 0.00 C ATOM 992 CG ARG A 67 -14.233 -13.930 -14.419 1.00 0.00 C ATOM 993 CD ARG A 67 -12.924 -14.675 -14.203 1.00 0.00 C ATOM 994 NE ARG A 67 -12.212 -14.904 -15.456 1.00 0.00 N ATOM 995 CZ ARG A 67 -11.432 -15.957 -15.677 1.00 0.00 C ATOM 996 NH1 ARG A 67 -11.267 -16.873 -14.733 1.00 0.00 N ATOM 997 NH2 ARG A 67 -10.817 -16.095 -16.845 1.00 0.00 N ATOM 0 H ARG A 67 -15.536 -11.821 -11.319 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.542 -11.579 -14.143 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.890 -12.811 -12.627 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.095 -14.074 -12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.987 -14.619 -14.799 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.094 -13.160 -15.178 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.290 -14.104 -13.525 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.126 -15.631 -13.721 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.319 -14.218 -16.203 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.739 -16.770 -13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.668 -17.680 -14.905 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.943 -15.393 -17.574 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.218 -16.903 -17.014 1.00 0.00 H new ATOM 1011 N HIS A 68 -18.011 -13.189 -12.796 1.00 0.00 N ATOM 1012 CA HIS A 68 -19.282 -13.853 -13.062 1.00 0.00 C ATOM 1013 C HIS A 68 -20.358 -12.837 -13.434 1.00 0.00 C ATOM 1014 O HIS A 68 -21.289 -13.149 -14.178 1.00 0.00 O ATOM 1015 CB HIS A 68 -19.727 -14.659 -11.841 1.00 0.00 C ATOM 1016 CG HIS A 68 -21.198 -14.936 -11.810 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -21.758 -16.084 -12.330 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -22.226 -14.207 -11.314 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -23.068 -16.048 -12.158 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -23.377 -14.920 -11.543 1.00 0.00 N ATOM 0 H HIS A 68 -17.871 -12.920 -11.822 1.00 0.00 H new ATOM 0 HA HIS A 68 -19.140 -14.531 -13.903 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -19.187 -15.606 -11.824 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -19.449 -14.117 -10.937 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -21.242 -16.842 -12.777 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -22.154 -13.245 -10.829 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -23.767 -16.811 -12.468 1.00 0.00 H new ATOM 1028 N ARG A 69 -20.224 -11.622 -12.914 1.00 0.00 N ATOM 1029 CA ARG A 69 -21.186 -10.561 -13.190 1.00 0.00 C ATOM 1030 C ARG A 69 -20.859 -9.861 -14.505 1.00 0.00 C ATOM 1031 O ARG A 69 -21.377 -8.780 -14.790 1.00 0.00 O ATOM 1032 CB ARG A 69 -21.198 -9.544 -12.047 1.00 0.00 C ATOM 1033 CG ARG A 69 -22.549 -8.881 -11.837 1.00 0.00 C ATOM 1034 CD ARG A 69 -23.506 -9.794 -11.087 1.00 0.00 C ATOM 1035 NE ARG A 69 -23.295 -9.742 -9.643 1.00 0.00 N ATOM 1036 CZ ARG A 69 -23.863 -8.841 -8.848 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -24.673 -7.922 -9.356 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -23.621 -8.858 -7.543 1.00 0.00 N ATOM 0 H ARG A 69 -19.458 -11.347 -12.299 1.00 0.00 H new ATOM 0 HA ARG A 69 -22.174 -11.013 -13.275 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -20.900 -10.043 -11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -20.452 -8.775 -12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -22.418 -7.953 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -22.979 -8.615 -12.803 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -24.533 -9.507 -11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -23.377 -10.819 -11.435 1.00 0.00 H new ATOM 0 HE ARG A 69 -22.677 -10.436 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -24.861 -7.906 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -25.108 -7.231 -8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -22.998 -9.563 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -24.058 -8.166 -6.934 1.00 0.00 H new ATOM 1052 N ARG A 70 -19.998 -10.484 -15.304 1.00 0.00 N ATOM 1053 CA ARG A 70 -19.601 -9.919 -16.587 1.00 0.00 C ATOM 1054 C ARG A 70 -20.493 -10.443 -17.710 1.00 0.00 C ATOM 1055 O ARG A 70 -20.851 -9.704 -18.629 1.00 0.00 O ATOM 1056 CB ARG A 70 -18.138 -10.253 -16.885 1.00 0.00 C ATOM 1057 CG ARG A 70 -17.938 -11.640 -17.476 1.00 0.00 C ATOM 1058 CD ARG A 70 -16.465 -12.007 -17.550 1.00 0.00 C ATOM 1059 NE ARG A 70 -15.722 -11.111 -18.433 1.00 0.00 N ATOM 1060 CZ ARG A 70 -14.588 -11.449 -19.039 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -14.070 -12.656 -18.856 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -13.971 -10.580 -19.828 1.00 0.00 N ATOM 0 H ARG A 70 -19.563 -11.380 -15.085 1.00 0.00 H new ATOM 0 HA ARG A 70 -19.715 -8.836 -16.530 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.738 -9.511 -17.577 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -17.561 -10.173 -15.964 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -18.467 -12.375 -16.869 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -18.374 -11.678 -18.474 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.032 -11.972 -16.550 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.364 -13.032 -17.906 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.094 -10.175 -18.593 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.542 -13.327 -18.249 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.200 -12.914 -19.322 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.366 -9.651 -19.971 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.101 -10.841 -20.292 1.00 0.00 H new ATOM 1076 N THR A 71 -20.846 -11.721 -17.631 1.00 0.00 N ATOM 1077 CA THR A 71 -21.694 -12.344 -18.640 1.00 0.00 C ATOM 1078 C THR A 71 -23.143 -11.896 -18.493 1.00 0.00 C ATOM 1079 O THR A 71 -23.893 -11.854 -19.469 1.00 0.00 O ATOM 1080 CB THR A 71 -21.633 -13.881 -18.554 1.00 0.00 C ATOM 1081 OG1 THR A 71 -22.491 -14.461 -19.541 1.00 0.00 O ATOM 1082 CG2 THR A 71 -22.042 -14.363 -17.171 1.00 0.00 C ATOM 0 H THR A 71 -20.558 -12.346 -16.878 1.00 0.00 H new ATOM 0 HA THR A 71 -21.315 -12.026 -19.611 1.00 0.00 H new ATOM 0 HB THR A 71 -20.605 -14.193 -18.739 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.445 -15.438 -19.481 1.00 0.00 H new ATOM 0 HG21 THR A 71 -21.991 -15.451 -17.135 1.00 0.00 H new ATOM 0 HG22 THR A 71 -21.367 -13.943 -16.425 1.00 0.00 H new ATOM 0 HG23 THR A 71 -23.062 -14.040 -16.960 1.00 0.00 H new ATOM 1090 N HIS A 72 -23.534 -11.562 -17.267 1.00 0.00 N ATOM 1091 CA HIS A 72 -24.895 -11.116 -16.992 1.00 0.00 C ATOM 1092 C HIS A 72 -25.279 -9.953 -17.903 1.00 0.00 C ATOM 1093 O HIS A 72 -26.361 -9.943 -18.489 1.00 0.00 O ATOM 1094 CB HIS A 72 -25.033 -10.699 -15.528 1.00 0.00 C ATOM 1095 CG HIS A 72 -25.461 -11.815 -14.625 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -26.561 -12.607 -14.877 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -24.929 -12.270 -13.467 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -26.688 -13.500 -13.913 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -25.710 -13.317 -13.044 1.00 0.00 N ATOM 0 H HIS A 72 -22.927 -11.592 -16.448 1.00 0.00 H new ATOM 0 HA HIS A 72 -25.570 -11.949 -17.189 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -24.078 -10.306 -15.179 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -25.757 -9.887 -15.457 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -27.180 -12.517 -15.683 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -24.053 -11.882 -12.968 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -27.460 -14.252 -13.846 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.723 -11.455 9.415 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -25.211 -14.069 -11.209 1.00 0.00 ZN