USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -169:sc=-0.00828 (180deg=-0.161) USER MOD Single : A 2 SER OG : rot -45:sc= 0.165 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.811 X(o=-0.81,f=-0.48) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -9.88! C(o=-9.9!,f=-11!) 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 -24:sc= -1.48! USER MOD Single : A 29 TYR OH : rot 16:sc= 0.171 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= -3.82! C(o=-3.8!,f=-3.9!) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0584) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00149 USER MOD Single : A 41 THR OG1 : rot -48:sc= 0.431 USER MOD Single : A 43 THR OG1 : rot -54:sc= 0.146 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 97:sc= 0.148 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 -5.059 36.514 -15.328 1.00 0.00 N ATOM 2 CA GLY A 1 -5.469 35.427 -16.197 1.00 0.00 C ATOM 3 C GLY A 1 -4.347 34.440 -16.459 1.00 0.00 C ATOM 4 O GLY A 1 -4.591 33.249 -16.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.896 37.054 -15.029 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.579 36.127 -14.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.407 37.142 -15.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.312 34.903 -15.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.818 35.836 -17.145 1.00 0.00 H new ATOM 8 N SER A 2 -3.115 34.939 -16.475 1.00 0.00 N ATOM 9 CA SER A 2 -1.952 34.094 -16.721 1.00 0.00 C ATOM 10 C SER A 2 -1.518 33.380 -15.444 1.00 0.00 C ATOM 11 O SER A 2 -0.427 32.814 -15.376 1.00 0.00 O ATOM 12 CB SER A 2 -0.794 34.930 -17.269 1.00 0.00 C ATOM 13 OG SER A 2 0.171 34.111 -17.903 1.00 0.00 O ATOM 0 H SER A 2 -2.896 35.923 -16.321 1.00 0.00 H new ATOM 0 HA SER A 2 -2.231 33.343 -17.460 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.175 35.664 -17.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.326 35.486 -16.456 1.00 0.00 H new ATOM 0 HG SER A 2 0.352 33.326 -17.345 1.00 0.00 H new ATOM 19 N SER A 3 -2.382 33.412 -14.434 1.00 0.00 N ATOM 20 CA SER A 3 -2.087 32.772 -13.157 1.00 0.00 C ATOM 21 C SER A 3 -1.951 31.262 -13.324 1.00 0.00 C ATOM 22 O SER A 3 -2.123 30.729 -14.420 1.00 0.00 O ATOM 23 CB SER A 3 -3.186 33.087 -12.140 1.00 0.00 C ATOM 24 OG SER A 3 -3.356 34.486 -11.989 1.00 0.00 O ATOM 0 H SER A 3 -3.291 33.874 -14.475 1.00 0.00 H new ATOM 0 HA SER A 3 -1.139 33.166 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.124 32.636 -12.463 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.933 32.642 -11.177 1.00 0.00 H new ATOM 0 HG SER A 3 -4.065 34.661 -11.335 1.00 0.00 H new ATOM 30 N GLY A 4 -1.640 30.577 -12.228 1.00 0.00 N ATOM 31 CA GLY A 4 -1.486 29.134 -12.273 1.00 0.00 C ATOM 32 C GLY A 4 -2.084 28.448 -11.062 1.00 0.00 C ATOM 33 O GLY A 4 -2.893 29.036 -10.344 1.00 0.00 O ATOM 0 H GLY A 4 -1.492 30.995 -11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.961 28.749 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.426 28.887 -12.340 1.00 0.00 H new ATOM 37 N SER A 5 -1.687 27.200 -10.834 1.00 0.00 N ATOM 38 CA SER A 5 -2.195 26.432 -9.704 1.00 0.00 C ATOM 39 C SER A 5 -1.190 25.365 -9.278 1.00 0.00 C ATOM 40 O SER A 5 -0.133 25.212 -9.890 1.00 0.00 O ATOM 41 CB SER A 5 -3.530 25.776 -10.063 1.00 0.00 C ATOM 42 OG SER A 5 -4.277 25.471 -8.899 1.00 0.00 O ATOM 0 H SER A 5 -1.016 26.700 -11.417 1.00 0.00 H new ATOM 0 HA SER A 5 -2.348 27.117 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.106 26.443 -10.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.349 24.864 -10.632 1.00 0.00 H new ATOM 0 HG SER A 5 -5.126 25.054 -9.155 1.00 0.00 H new ATOM 48 N SER A 6 -1.528 24.631 -8.222 1.00 0.00 N ATOM 49 CA SER A 6 -0.655 23.581 -7.711 1.00 0.00 C ATOM 50 C SER A 6 -1.276 22.205 -7.927 1.00 0.00 C ATOM 51 O SER A 6 -2.486 22.079 -8.110 1.00 0.00 O ATOM 52 CB SER A 6 -0.377 23.800 -6.222 1.00 0.00 C ATOM 53 OG SER A 6 -1.577 23.763 -5.469 1.00 0.00 O ATOM 0 H SER A 6 -2.400 24.744 -7.704 1.00 0.00 H new ATOM 0 HA SER A 6 0.286 23.626 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.307 23.033 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.117 24.761 -6.078 1.00 0.00 H new ATOM 0 HG SER A 6 -1.373 23.904 -4.521 1.00 0.00 H new ATOM 59 N GLY A 7 -0.437 21.173 -7.904 1.00 0.00 N ATOM 60 CA GLY A 7 -0.920 19.819 -8.099 1.00 0.00 C ATOM 61 C GLY A 7 -1.446 19.201 -6.818 1.00 0.00 C ATOM 62 O GLY A 7 -1.234 19.719 -5.722 1.00 0.00 O ATOM 0 H GLY A 7 0.569 21.251 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.711 19.823 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.112 19.201 -8.492 1.00 0.00 H new ATOM 66 N PRO A 8 -2.149 18.066 -6.949 1.00 0.00 N ATOM 67 CA PRO A 8 -2.721 17.352 -5.803 1.00 0.00 C ATOM 68 C PRO A 8 -1.651 16.705 -4.930 1.00 0.00 C ATOM 69 O PRO A 8 -0.466 16.733 -5.263 1.00 0.00 O ATOM 70 CB PRO A 8 -3.600 16.282 -6.455 1.00 0.00 C ATOM 71 CG PRO A 8 -2.994 16.061 -7.798 1.00 0.00 C ATOM 72 CD PRO A 8 -2.438 17.391 -8.225 1.00 0.00 C ATOM 0 HA PRO A 8 -3.265 18.021 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.607 15.364 -5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.634 16.616 -6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.209 15.306 -7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.739 15.703 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.539 17.275 -8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.155 17.953 -8.823 1.00 0.00 H new ATOM 80 N GLN A 9 -2.077 16.122 -3.815 1.00 0.00 N ATOM 81 CA GLN A 9 -1.154 15.468 -2.895 1.00 0.00 C ATOM 82 C GLN A 9 -1.647 14.071 -2.531 1.00 0.00 C ATOM 83 O GLN A 9 -2.808 13.733 -2.761 1.00 0.00 O ATOM 84 CB GLN A 9 -0.984 16.307 -1.627 1.00 0.00 C ATOM 85 CG GLN A 9 -0.005 17.460 -1.788 1.00 0.00 C ATOM 86 CD GLN A 9 -0.629 18.662 -2.471 1.00 0.00 C ATOM 87 OE1 GLN A 9 -0.117 19.151 -3.479 1.00 0.00 O ATOM 88 NE2 GLN A 9 -1.738 19.145 -1.925 1.00 0.00 N ATOM 0 H GLN A 9 -3.055 16.089 -3.527 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.189 15.375 -3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.955 16.704 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.643 15.662 -0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.367 17.756 -0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.855 17.124 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.127 18.708 -1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.201 19.953 -2.341 1.00 0.00 H new ATOM 97 N ILE A 10 -0.757 13.264 -1.963 1.00 0.00 N ATOM 98 CA ILE A 10 -1.102 11.905 -1.567 1.00 0.00 C ATOM 99 C ILE A 10 -1.593 11.860 -0.123 1.00 0.00 C ATOM 100 O ILE A 10 -1.066 12.557 0.744 1.00 0.00 O ATOM 101 CB ILE A 10 0.098 10.952 -1.719 1.00 0.00 C ATOM 102 CG1 ILE A 10 1.255 11.408 -0.827 1.00 0.00 C ATOM 103 CG2 ILE A 10 0.538 10.884 -3.174 1.00 0.00 C ATOM 104 CD1 ILE A 10 2.347 10.372 -0.679 1.00 0.00 C ATOM 0 H ILE A 10 0.208 13.528 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.902 11.577 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.206 9.954 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.684 12.320 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.866 11.658 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.387 10.207 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.286 10.518 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.829 11.878 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.134 10.763 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.932 9.466 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.763 10.139 -1.659 1.00 0.00 H new ATOM 116 N ASP A 11 -2.603 11.034 0.127 1.00 0.00 N ATOM 117 CA ASP A 11 -3.163 10.895 1.467 1.00 0.00 C ATOM 118 C ASP A 11 -2.475 9.768 2.229 1.00 0.00 C ATOM 119 O ASP A 11 -2.255 8.684 1.687 1.00 0.00 O ATOM 120 CB ASP A 11 -4.667 10.633 1.388 1.00 0.00 C ATOM 121 CG ASP A 11 -5.397 11.679 0.568 1.00 0.00 C ATOM 122 OD1 ASP A 11 -5.834 12.691 1.152 1.00 0.00 O ATOM 123 OD2 ASP A 11 -5.531 11.484 -0.658 1.00 0.00 O ATOM 0 H ASP A 11 -3.051 10.451 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.993 11.828 2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.839 9.649 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.082 10.611 2.396 1.00 0.00 H new ATOM 128 N SER A 12 -2.138 10.031 3.487 1.00 0.00 N ATOM 129 CA SER A 12 -1.472 9.039 4.323 1.00 0.00 C ATOM 130 C SER A 12 -2.454 8.402 5.301 1.00 0.00 C ATOM 131 O SER A 12 -2.054 7.798 6.296 1.00 0.00 O ATOM 132 CB SER A 12 -0.315 9.683 5.090 1.00 0.00 C ATOM 133 OG SER A 12 -0.794 10.470 6.167 1.00 0.00 O ATOM 0 H SER A 12 -2.315 10.922 3.950 1.00 0.00 H new ATOM 0 HA SER A 12 -1.078 8.258 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.350 8.908 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.273 10.304 4.414 1.00 0.00 H new ATOM 0 HG SER A 12 -0.036 10.869 6.643 1.00 0.00 H new ATOM 139 N SER A 13 -3.744 8.543 5.009 1.00 0.00 N ATOM 140 CA SER A 13 -4.786 7.986 5.865 1.00 0.00 C ATOM 141 C SER A 13 -4.987 6.501 5.577 1.00 0.00 C ATOM 142 O SER A 13 -5.989 5.911 5.980 1.00 0.00 O ATOM 143 CB SER A 13 -6.101 8.740 5.659 1.00 0.00 C ATOM 144 OG SER A 13 -5.940 10.124 5.916 1.00 0.00 O ATOM 0 H SER A 13 -4.092 9.037 4.188 1.00 0.00 H new ATOM 0 HA SER A 13 -4.470 8.098 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.451 8.595 4.637 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.866 8.331 6.319 1.00 0.00 H new ATOM 0 HG SER A 13 -6.794 10.584 5.776 1.00 0.00 H new ATOM 150 N ARG A 14 -4.028 5.905 4.878 1.00 0.00 N ATOM 151 CA ARG A 14 -4.100 4.489 4.535 1.00 0.00 C ATOM 152 C ARG A 14 -3.533 3.628 5.660 1.00 0.00 C ATOM 153 O ARG A 14 -3.198 2.462 5.453 1.00 0.00 O ATOM 154 CB ARG A 14 -3.336 4.218 3.237 1.00 0.00 C ATOM 155 CG ARG A 14 -1.862 4.576 3.312 1.00 0.00 C ATOM 156 CD ARG A 14 -1.277 4.822 1.930 1.00 0.00 C ATOM 157 NE ARG A 14 0.117 5.253 1.994 1.00 0.00 N ATOM 158 CZ ARG A 14 1.143 4.412 2.067 1.00 0.00 C ATOM 159 NH1 ARG A 14 0.932 3.103 2.086 1.00 0.00 N ATOM 160 NH2 ARG A 14 2.384 4.880 2.123 1.00 0.00 N ATOM 0 H ARG A 14 -3.192 6.380 4.538 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.149 4.228 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.432 3.163 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.798 4.784 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.734 5.467 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.315 3.770 3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.347 3.909 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.868 5.580 1.416 1.00 0.00 H new ATOM 0 HE ARG A 14 0.314 6.254 1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.020 2.739 2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.722 2.460 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.551 5.886 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.171 4.233 2.179 1.00 0.00 H new ATOM 174 N ILE A 15 -3.429 4.211 6.850 1.00 0.00 N ATOM 175 CA ILE A 15 -2.905 3.497 8.007 1.00 0.00 C ATOM 176 C ILE A 15 -3.969 2.598 8.627 1.00 0.00 C ATOM 177 O ILE A 15 -4.862 3.071 9.331 1.00 0.00 O ATOM 178 CB ILE A 15 -2.383 4.470 9.079 1.00 0.00 C ATOM 179 CG1 ILE A 15 -1.258 5.337 8.508 1.00 0.00 C ATOM 180 CG2 ILE A 15 -1.899 3.703 10.301 1.00 0.00 C ATOM 181 CD1 ILE A 15 -1.096 6.661 9.221 1.00 0.00 C ATOM 0 H ILE A 15 -3.701 5.176 7.038 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.078 2.883 7.651 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.201 5.123 9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.320 4.785 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.454 5.523 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.533 4.405 11.050 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.724 3.125 10.718 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.093 3.029 10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.281 7.223 8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.021 7.233 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.869 6.483 10.272 1.00 0.00 H new ATOM 193 N ARG A 16 -3.868 1.300 8.361 1.00 0.00 N ATOM 194 CA ARG A 16 -4.820 0.334 8.895 1.00 0.00 C ATOM 195 C ARG A 16 -4.667 0.196 10.406 1.00 0.00 C ATOM 196 O ARG A 16 -3.658 -0.311 10.895 1.00 0.00 O ATOM 197 CB ARG A 16 -4.627 -1.028 8.225 1.00 0.00 C ATOM 198 CG ARG A 16 -3.213 -1.570 8.345 1.00 0.00 C ATOM 199 CD ARG A 16 -2.923 -2.612 7.276 1.00 0.00 C ATOM 200 NE ARG A 16 -2.983 -2.047 5.931 1.00 0.00 N ATOM 201 CZ ARG A 16 -2.749 -2.749 4.827 1.00 0.00 C ATOM 202 NH1 ARG A 16 -2.441 -4.036 4.910 1.00 0.00 N ATOM 203 NH2 ARG A 16 -2.824 -2.164 3.639 1.00 0.00 N ATOM 0 H ARG A 16 -3.136 0.893 7.779 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.825 0.697 8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.320 -1.743 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.887 -0.944 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.500 -0.750 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.074 -2.011 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.935 -3.040 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.642 -3.427 7.359 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.217 -1.059 5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.383 -4.489 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.262 -4.573 4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.061 -1.174 3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.644 -2.704 2.792 1.00 0.00 H new ATOM 217 N SER A 17 -5.677 0.650 11.143 1.00 0.00 N ATOM 218 CA SER A 17 -5.653 0.581 12.599 1.00 0.00 C ATOM 219 C SER A 17 -6.431 -0.632 13.098 1.00 0.00 C ATOM 220 O SER A 17 -5.856 -1.569 13.651 1.00 0.00 O ATOM 221 CB SER A 17 -6.238 1.861 13.201 1.00 0.00 C ATOM 222 OG SER A 17 -5.217 2.799 13.493 1.00 0.00 O ATOM 0 H SER A 17 -6.522 1.069 10.755 1.00 0.00 H new ATOM 0 HA SER A 17 -4.615 0.480 12.917 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.952 2.301 12.505 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.787 1.621 14.112 1.00 0.00 H new ATOM 0 HG SER A 17 -5.616 3.609 13.875 1.00 0.00 H new ATOM 228 N HIS A 18 -7.746 -0.606 12.900 1.00 0.00 N ATOM 229 CA HIS A 18 -8.605 -1.704 13.329 1.00 0.00 C ATOM 230 C HIS A 18 -8.083 -3.039 12.806 1.00 0.00 C ATOM 231 O HIS A 18 -8.173 -3.326 11.612 1.00 0.00 O ATOM 232 CB HIS A 18 -10.037 -1.478 12.845 1.00 0.00 C ATOM 233 CG HIS A 18 -10.796 -0.481 13.665 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.054 -0.727 14.174 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.468 0.770 14.066 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.468 0.330 14.851 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.523 1.252 14.801 1.00 0.00 N ATOM 0 H HIS A 18 -8.239 0.163 12.446 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.598 -1.733 14.419 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.013 -1.141 11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.571 -2.428 12.858 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.583 -1.590 14.048 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.548 1.292 13.848 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.417 0.424 15.358 1.00 0.00 H new ATOM 245 N ILE A 19 -7.538 -3.849 13.707 1.00 0.00 N ATOM 246 CA ILE A 19 -7.003 -5.153 13.336 1.00 0.00 C ATOM 247 C ILE A 19 -8.069 -6.237 13.448 1.00 0.00 C ATOM 248 O ILE A 19 -8.858 -6.253 14.395 1.00 0.00 O ATOM 249 CB ILE A 19 -5.799 -5.539 14.216 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.940 -4.309 14.511 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.972 -6.620 13.537 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.321 -3.597 15.790 1.00 0.00 C ATOM 0 H ILE A 19 -7.455 -3.625 14.699 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.675 -5.076 12.299 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.170 -5.934 15.162 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.895 -4.612 14.571 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.022 -3.611 13.678 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.125 -6.882 14.171 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.590 -7.503 13.374 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.607 -6.251 12.578 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.670 -2.735 15.934 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.356 -3.263 15.726 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.212 -4.280 16.633 1.00 0.00 H new ATOM 264 N CYS A 20 -8.088 -7.145 12.478 1.00 0.00 N ATOM 265 CA CYS A 20 -9.056 -8.234 12.466 1.00 0.00 C ATOM 266 C CYS A 20 -8.949 -9.069 13.740 1.00 0.00 C ATOM 267 O CYS A 20 -7.986 -9.812 13.928 1.00 0.00 O ATOM 268 CB CYS A 20 -8.841 -9.124 11.241 1.00 0.00 C ATOM 269 SG CYS A 20 -9.841 -10.646 11.241 1.00 0.00 S ATOM 0 H CYS A 20 -7.442 -7.148 11.689 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.054 -7.799 12.419 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.073 -8.550 10.344 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.787 -9.395 11.183 1.00 0.00 H new ATOM 274 N SER A 21 -9.947 -8.943 14.610 1.00 0.00 N ATOM 275 CA SER A 21 -9.964 -9.682 15.866 1.00 0.00 C ATOM 276 C SER A 21 -9.586 -11.143 15.641 1.00 0.00 C ATOM 277 O SER A 21 -8.795 -11.715 16.392 1.00 0.00 O ATOM 278 CB SER A 21 -11.346 -9.595 16.515 1.00 0.00 C ATOM 279 OG SER A 21 -11.277 -9.873 17.902 1.00 0.00 O ATOM 0 H SER A 21 -10.754 -8.336 14.467 1.00 0.00 H new ATOM 0 HA SER A 21 -9.229 -9.233 16.534 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.761 -8.599 16.361 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.023 -10.301 16.033 1.00 0.00 H new ATOM 0 HG SER A 21 -12.173 -9.809 18.293 1.00 0.00 H new ATOM 285 N HIS A 22 -10.157 -11.742 14.601 1.00 0.00 N ATOM 286 CA HIS A 22 -9.881 -13.138 14.276 1.00 0.00 C ATOM 287 C HIS A 22 -8.379 -13.382 14.166 1.00 0.00 C ATOM 288 O HIS A 22 -7.696 -12.825 13.306 1.00 0.00 O ATOM 289 CB HIS A 22 -10.570 -13.524 12.967 1.00 0.00 C ATOM 290 CG HIS A 22 -10.627 -15.003 12.734 1.00 0.00 C ATOM 291 ND1 HIS A 22 -11.534 -15.829 13.365 1.00 0.00 N ATOM 292 CD2 HIS A 22 -9.885 -15.802 11.934 1.00 0.00 C ATOM 293 CE1 HIS A 22 -11.346 -17.072 12.963 1.00 0.00 C ATOM 294 NE2 HIS A 22 -10.352 -17.084 12.094 1.00 0.00 N ATOM 0 H HIS A 22 -10.813 -11.284 13.969 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.274 -13.759 15.081 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.584 -13.125 12.969 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.044 -13.054 12.136 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.076 -15.490 11.290 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.910 -17.933 13.290 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.990 -17.911 11.619 1.00 0.00 H new ATOM 302 N PRO A 23 -7.850 -14.234 15.057 1.00 0.00 N ATOM 303 CA PRO A 23 -6.425 -14.572 15.080 1.00 0.00 C ATOM 304 C PRO A 23 -6.009 -15.416 13.880 1.00 0.00 C ATOM 305 O PRO A 23 -6.781 -16.239 13.390 1.00 0.00 O ATOM 306 CB PRO A 23 -6.271 -15.373 16.375 1.00 0.00 C ATOM 307 CG PRO A 23 -7.622 -15.946 16.629 1.00 0.00 C ATOM 308 CD PRO A 23 -8.606 -14.935 16.109 1.00 0.00 C ATOM 0 HA PRO A 23 -5.795 -13.683 15.034 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.522 -16.158 16.268 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.950 -14.736 17.199 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.741 -16.903 16.122 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.775 -16.128 17.693 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.501 -15.413 15.710 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.932 -14.251 16.893 1.00 0.00 H new ATOM 316 N GLY A 24 -4.782 -15.206 13.411 1.00 0.00 N ATOM 317 CA GLY A 24 -4.285 -15.955 12.271 1.00 0.00 C ATOM 318 C GLY A 24 -4.495 -15.224 10.960 1.00 0.00 C ATOM 319 O GLY A 24 -3.603 -15.186 10.112 1.00 0.00 O ATOM 0 H GLY A 24 -4.124 -14.531 13.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.222 -16.153 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.787 -16.922 12.229 1.00 0.00 H new ATOM 323 N CYS A 25 -5.678 -14.640 10.793 1.00 0.00 N ATOM 324 CA CYS A 25 -6.003 -13.908 9.575 1.00 0.00 C ATOM 325 C CYS A 25 -4.896 -12.918 9.223 1.00 0.00 C ATOM 326 O CYS A 25 -4.303 -12.989 8.147 1.00 0.00 O ATOM 327 CB CYS A 25 -7.332 -13.167 9.740 1.00 0.00 C ATOM 328 SG CYS A 25 -7.753 -12.076 8.344 1.00 0.00 S ATOM 0 H CYS A 25 -6.426 -14.660 11.486 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.094 -14.628 8.762 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.130 -13.898 9.869 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.293 -12.573 10.653 1.00 0.00 H new ATOM 333 N GLY A 26 -4.624 -11.993 10.139 1.00 0.00 N ATOM 334 CA GLY A 26 -3.590 -11.002 9.907 1.00 0.00 C ATOM 335 C GLY A 26 -4.034 -9.911 8.953 1.00 0.00 C ATOM 336 O GLY A 26 -3.359 -9.626 7.964 1.00 0.00 O ATOM 0 H GLY A 26 -5.101 -11.913 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.302 -10.553 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.704 -11.493 9.505 1.00 0.00 H new ATOM 340 N LYS A 27 -5.177 -9.300 9.248 1.00 0.00 N ATOM 341 CA LYS A 27 -5.714 -8.234 8.409 1.00 0.00 C ATOM 342 C LYS A 27 -6.000 -6.984 9.235 1.00 0.00 C ATOM 343 O LYS A 27 -6.198 -7.060 10.448 1.00 0.00 O ATOM 344 CB LYS A 27 -6.992 -8.701 7.710 1.00 0.00 C ATOM 345 CG LYS A 27 -7.257 -7.997 6.391 1.00 0.00 C ATOM 346 CD LYS A 27 -6.593 -8.718 5.231 1.00 0.00 C ATOM 347 CE LYS A 27 -5.241 -8.107 4.895 1.00 0.00 C ATOM 348 NZ LYS A 27 -4.636 -8.731 3.686 1.00 0.00 N ATOM 0 H LYS A 27 -5.749 -9.525 10.062 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.966 -7.987 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.927 -9.774 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.840 -8.539 8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.332 -7.940 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.887 -6.973 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.465 -9.771 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.241 -8.674 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.357 -7.036 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.567 -8.229 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.716 -8.288 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.502 -9.749 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.267 -8.593 2.871 1.00 0.00 H new ATOM 362 N THR A 28 -6.026 -5.834 8.569 1.00 0.00 N ATOM 363 CA THR A 28 -6.290 -4.567 9.241 1.00 0.00 C ATOM 364 C THR A 28 -6.779 -3.513 8.256 1.00 0.00 C ATOM 365 O THR A 28 -6.414 -3.532 7.080 1.00 0.00 O ATOM 366 CB THR A 28 -5.032 -4.039 9.959 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.399 -5.101 10.682 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.389 -2.911 10.916 1.00 0.00 C ATOM 0 H THR A 28 -5.867 -5.754 7.565 1.00 0.00 H new ATOM 0 HA THR A 28 -7.068 -4.758 9.980 1.00 0.00 H new ATOM 0 HB THR A 28 -4.346 -3.652 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.060 -5.794 10.891 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.486 -2.554 11.411 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.845 -2.092 10.359 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.092 -3.277 11.664 1.00 0.00 H new ATOM 376 N TYR A 29 -7.603 -2.593 8.742 1.00 0.00 N ATOM 377 CA TYR A 29 -8.144 -1.530 7.902 1.00 0.00 C ATOM 378 C TYR A 29 -8.203 -0.210 8.665 1.00 0.00 C ATOM 379 O TYR A 29 -8.480 -0.184 9.864 1.00 0.00 O ATOM 380 CB TYR A 29 -9.540 -1.907 7.402 1.00 0.00 C ATOM 381 CG TYR A 29 -9.566 -3.172 6.575 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.612 -4.421 7.182 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.542 -3.118 5.187 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.636 -5.580 6.430 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.566 -4.271 4.427 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.613 -5.500 5.053 1.00 0.00 C ATOM 387 OH TYR A 29 -9.636 -6.651 4.299 1.00 0.00 O ATOM 0 H TYR A 29 -7.912 -2.561 9.714 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.481 -1.404 7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.203 -2.029 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.938 -1.085 6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.629 -4.487 8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.504 -2.158 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.673 -6.543 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.548 -4.211 3.349 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.921 -7.403 4.859 1.00 0.00 H new ATOM 397 N PHE A 30 -7.941 0.886 7.959 1.00 0.00 N ATOM 398 CA PHE A 30 -7.964 2.211 8.568 1.00 0.00 C ATOM 399 C PHE A 30 -9.366 2.558 9.061 1.00 0.00 C ATOM 400 O PHE A 30 -9.576 2.806 10.248 1.00 0.00 O ATOM 401 CB PHE A 30 -7.487 3.264 7.566 1.00 0.00 C ATOM 402 CG PHE A 30 -8.033 4.637 7.835 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.768 5.279 9.035 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.808 5.287 6.888 1.00 0.00 C ATOM 405 CE1 PHE A 30 -8.269 6.542 9.285 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.311 6.551 7.132 1.00 0.00 C ATOM 407 CZ PHE A 30 -9.040 7.180 8.332 1.00 0.00 C ATOM 0 H PHE A 30 -7.711 0.882 6.965 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.289 2.203 9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.398 3.305 7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.778 2.956 6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.163 4.786 9.782 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.022 4.800 5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.058 7.031 10.225 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.915 7.046 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.430 8.168 8.525 1.00 0.00 H new ATOM 417 N LYS A 31 -10.323 2.577 8.139 1.00 0.00 N ATOM 418 CA LYS A 31 -11.705 2.894 8.476 1.00 0.00 C ATOM 419 C LYS A 31 -12.224 1.968 9.571 1.00 0.00 C ATOM 420 O LYS A 31 -12.570 0.815 9.311 1.00 0.00 O ATOM 421 CB LYS A 31 -12.594 2.781 7.235 1.00 0.00 C ATOM 422 CG LYS A 31 -12.570 4.018 6.355 1.00 0.00 C ATOM 423 CD LYS A 31 -13.810 4.106 5.481 1.00 0.00 C ATOM 424 CE LYS A 31 -15.021 4.564 6.278 1.00 0.00 C ATOM 425 NZ LYS A 31 -15.138 6.049 6.307 1.00 0.00 N ATOM 0 H LYS A 31 -10.166 2.376 7.151 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.736 3.919 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.275 1.921 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.620 2.589 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.500 4.908 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.681 4.000 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.629 4.800 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.013 3.132 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.925 4.137 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.949 4.186 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.976 6.320 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.287 6.456 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.233 6.409 5.336 1.00 0.00 H new ATOM 439 N SER A 32 -12.276 2.479 10.797 1.00 0.00 N ATOM 440 CA SER A 32 -12.750 1.697 11.933 1.00 0.00 C ATOM 441 C SER A 32 -13.930 0.816 11.531 1.00 0.00 C ATOM 442 O SER A 32 -14.139 -0.257 12.097 1.00 0.00 O ATOM 443 CB SER A 32 -13.158 2.621 13.081 1.00 0.00 C ATOM 444 OG SER A 32 -13.981 3.677 12.618 1.00 0.00 O ATOM 0 H SER A 32 -11.995 3.432 11.029 1.00 0.00 H new ATOM 0 HA SER A 32 -11.935 1.054 12.266 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.689 2.049 13.841 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.267 3.032 13.556 1.00 0.00 H new ATOM 0 HG SER A 32 -14.230 4.252 13.371 1.00 0.00 H new ATOM 450 N SER A 33 -14.697 1.277 10.547 1.00 0.00 N ATOM 451 CA SER A 33 -15.858 0.534 10.071 1.00 0.00 C ATOM 452 C SER A 33 -15.432 -0.614 9.160 1.00 0.00 C ATOM 453 O SER A 33 -15.887 -1.747 9.316 1.00 0.00 O ATOM 454 CB SER A 33 -16.814 1.465 9.324 1.00 0.00 C ATOM 455 OG SER A 33 -17.395 2.412 10.204 1.00 0.00 O ATOM 0 H SER A 33 -14.535 2.161 10.065 1.00 0.00 H new ATOM 0 HA SER A 33 -16.372 0.116 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.276 1.984 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.599 0.878 8.846 1.00 0.00 H new ATOM 0 HG SER A 33 -18.001 2.996 9.702 1.00 0.00 H new ATOM 461 N HIS A 34 -14.555 -0.311 8.208 1.00 0.00 N ATOM 462 CA HIS A 34 -14.066 -1.316 7.272 1.00 0.00 C ATOM 463 C HIS A 34 -13.984 -2.686 7.938 1.00 0.00 C ATOM 464 O HIS A 34 -14.505 -3.673 7.419 1.00 0.00 O ATOM 465 CB HIS A 34 -12.692 -0.916 6.732 1.00 0.00 C ATOM 466 CG HIS A 34 -12.757 -0.097 5.478 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.677 0.082 4.640 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.781 0.590 4.922 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.034 0.846 3.623 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.306 1.168 3.770 1.00 0.00 N ATOM 0 H HIS A 34 -14.169 0.622 8.065 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.771 -1.376 6.443 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.160 -0.352 7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.110 -1.817 6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.785 0.669 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.394 1.155 2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.848 1.751 3.132 1.00 0.00 H new ATOM 478 N LEU A 35 -13.325 -2.739 9.091 1.00 0.00 N ATOM 479 CA LEU A 35 -13.173 -3.988 9.829 1.00 0.00 C ATOM 480 C LEU A 35 -14.437 -4.836 9.729 1.00 0.00 C ATOM 481 O LEU A 35 -14.393 -5.986 9.293 1.00 0.00 O ATOM 482 CB LEU A 35 -12.854 -3.700 11.297 1.00 0.00 C ATOM 483 CG LEU A 35 -12.889 -4.902 12.240 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.860 -5.940 11.820 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.648 -4.462 13.676 1.00 0.00 C ATOM 0 H LEU A 35 -12.888 -1.931 9.535 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.347 -4.545 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.863 -3.250 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.562 -2.956 11.663 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.878 -5.356 12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.899 -6.789 12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.078 -6.279 10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.864 -5.497 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.677 -5.332 14.333 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.672 -3.983 13.751 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.423 -3.756 13.975 1.00 0.00 H new ATOM 497 N LYS A 36 -15.564 -4.260 10.133 1.00 0.00 N ATOM 498 CA LYS A 36 -16.842 -4.961 10.086 1.00 0.00 C ATOM 499 C LYS A 36 -17.074 -5.578 8.711 1.00 0.00 C ATOM 500 O LYS A 36 -17.374 -6.766 8.597 1.00 0.00 O ATOM 501 CB LYS A 36 -17.985 -4.002 10.426 1.00 0.00 C ATOM 502 CG LYS A 36 -19.296 -4.705 10.733 1.00 0.00 C ATOM 503 CD LYS A 36 -20.399 -3.710 11.056 1.00 0.00 C ATOM 504 CE LYS A 36 -21.692 -4.415 11.434 1.00 0.00 C ATOM 505 NZ LYS A 36 -22.272 -5.165 10.285 1.00 0.00 N ATOM 0 H LYS A 36 -15.618 -3.309 10.497 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.816 -5.762 10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.697 -3.396 11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.136 -3.318 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.592 -5.314 9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.158 -5.383 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.081 -3.066 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.573 -3.066 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.503 -5.103 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.415 -3.681 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.216 -5.518 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.350 -4.534 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.655 -5.968 10.048 1.00 0.00 H new ATOM 519 N ALA A 37 -16.930 -4.764 7.670 1.00 0.00 N ATOM 520 CA ALA A 37 -17.120 -5.232 6.303 1.00 0.00 C ATOM 521 C ALA A 37 -16.208 -6.415 5.995 1.00 0.00 C ATOM 522 O ALA A 37 -16.450 -7.170 5.053 1.00 0.00 O ATOM 523 CB ALA A 37 -16.868 -4.100 5.318 1.00 0.00 C ATOM 0 H ALA A 37 -16.682 -3.778 7.748 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.152 -5.566 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.013 -4.464 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.564 -3.285 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.846 -3.740 5.432 1.00 0.00 H new ATOM 529 N HIS A 38 -15.159 -6.572 6.797 1.00 0.00 N ATOM 530 CA HIS A 38 -14.211 -7.664 6.610 1.00 0.00 C ATOM 531 C HIS A 38 -14.595 -8.869 7.462 1.00 0.00 C ATOM 532 O HIS A 38 -14.605 -10.004 6.985 1.00 0.00 O ATOM 533 CB HIS A 38 -12.795 -7.205 6.964 1.00 0.00 C ATOM 534 CG HIS A 38 -11.818 -8.330 7.101 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.158 -8.890 6.027 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.386 -9.000 8.195 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.365 -9.856 6.454 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.485 -9.944 7.767 1.00 0.00 N ATOM 0 H HIS A 38 -14.945 -5.957 7.582 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.238 -7.959 5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.441 -6.519 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.826 -6.646 7.899 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.266 -8.603 5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.693 -8.825 9.215 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.727 -10.470 5.835 1.00 0.00 H new ATOM 546 N THR A 39 -14.910 -8.615 8.729 1.00 0.00 N ATOM 547 CA THR A 39 -15.293 -9.679 9.649 1.00 0.00 C ATOM 548 C THR A 39 -16.306 -10.622 9.008 1.00 0.00 C ATOM 549 O THR A 39 -16.378 -11.801 9.357 1.00 0.00 O ATOM 550 CB THR A 39 -15.891 -9.110 10.949 1.00 0.00 C ATOM 551 OG1 THR A 39 -15.026 -8.101 11.485 1.00 0.00 O ATOM 552 CG2 THR A 39 -16.093 -10.210 11.980 1.00 0.00 C ATOM 0 H THR A 39 -14.907 -7.682 9.141 1.00 0.00 H new ATOM 0 HA THR A 39 -14.385 -10.232 9.887 1.00 0.00 H new ATOM 0 HB THR A 39 -16.861 -8.671 10.715 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.414 -7.743 12.311 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.516 -9.783 12.889 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.774 -10.962 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.134 -10.674 12.209 1.00 0.00 H new ATOM 560 N ARG A 40 -17.085 -10.096 8.068 1.00 0.00 N ATOM 561 CA ARG A 40 -18.094 -10.891 7.380 1.00 0.00 C ATOM 562 C ARG A 40 -17.503 -12.209 6.885 1.00 0.00 C ATOM 563 O ARG A 40 -18.191 -13.229 6.827 1.00 0.00 O ATOM 564 CB ARG A 40 -18.676 -10.107 6.202 1.00 0.00 C ATOM 565 CG ARG A 40 -17.712 -9.953 5.037 1.00 0.00 C ATOM 566 CD ARG A 40 -18.407 -9.381 3.811 1.00 0.00 C ATOM 567 NE ARG A 40 -18.972 -10.429 2.964 1.00 0.00 N ATOM 568 CZ ARG A 40 -19.251 -10.260 1.676 1.00 0.00 C ATOM 569 NH1 ARG A 40 -19.021 -9.094 1.091 1.00 0.00 N ATOM 570 NH2 ARG A 40 -19.764 -11.262 0.972 1.00 0.00 N ATOM 0 H ARG A 40 -17.036 -9.123 7.766 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.891 -11.113 8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -19.578 -10.609 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.976 -9.118 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.889 -9.300 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.278 -10.922 4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.200 -8.703 4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.695 -8.792 3.233 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.162 -11.339 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.628 -8.322 1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.237 -8.968 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.944 -12.161 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.979 -11.133 -0.017 1.00 0.00 H new ATOM 584 N THR A 41 -16.222 -12.181 6.528 1.00 0.00 N ATOM 585 CA THR A 41 -15.539 -13.370 6.037 1.00 0.00 C ATOM 586 C THR A 41 -15.103 -14.268 7.188 1.00 0.00 C ATOM 587 O THR A 41 -14.256 -15.146 7.017 1.00 0.00 O ATOM 588 CB THR A 41 -14.306 -13.001 5.193 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.863 -14.140 4.446 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.175 -12.498 6.077 1.00 0.00 C ATOM 0 H THR A 41 -15.637 -11.346 6.570 1.00 0.00 H new ATOM 0 HA THR A 41 -16.251 -13.907 5.410 1.00 0.00 H new ATOM 0 HB THR A 41 -14.591 -12.205 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.809 -14.919 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.315 -12.244 5.458 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.505 -11.613 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.894 -13.276 6.786 1.00 0.00 H new ATOM 598 N HIS A 42 -15.687 -14.045 8.361 1.00 0.00 N ATOM 599 CA HIS A 42 -15.359 -14.837 9.541 1.00 0.00 C ATOM 600 C HIS A 42 -16.622 -15.214 10.310 1.00 0.00 C ATOM 601 O HIS A 42 -17.729 -14.825 9.937 1.00 0.00 O ATOM 602 CB HIS A 42 -14.405 -14.063 10.451 1.00 0.00 C ATOM 603 CG HIS A 42 -13.087 -13.753 9.812 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.214 -14.729 9.378 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.495 -12.569 9.534 1.00 0.00 C ATOM 606 CE1 HIS A 42 -11.141 -14.157 8.860 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.286 -12.847 8.943 1.00 0.00 N ATOM 0 H HIS A 42 -16.389 -13.323 8.520 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.870 -15.753 9.210 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.881 -13.130 10.753 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.232 -14.641 11.359 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.372 -15.734 9.446 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.898 -11.588 9.738 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.290 -14.673 8.440 1.00 0.00 H new ATOM 615 N THR A 43 -16.448 -15.974 11.387 1.00 0.00 N ATOM 616 CA THR A 43 -17.573 -16.406 12.208 1.00 0.00 C ATOM 617 C THR A 43 -18.734 -16.882 11.343 1.00 0.00 C ATOM 618 O THR A 43 -19.898 -16.735 11.714 1.00 0.00 O ATOM 619 CB THR A 43 -18.064 -15.272 13.128 1.00 0.00 C ATOM 620 OG1 THR A 43 -18.834 -15.815 14.207 1.00 0.00 O ATOM 621 CG2 THR A 43 -18.907 -14.271 12.351 1.00 0.00 C ATOM 0 H THR A 43 -15.539 -16.303 11.711 1.00 0.00 H new ATOM 0 HA THR A 43 -17.218 -17.234 12.821 1.00 0.00 H new ATOM 0 HB THR A 43 -17.192 -14.756 13.528 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.551 -16.377 13.847 1.00 0.00 H new ATOM 0 HG21 THR A 43 -19.242 -13.480 13.021 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.310 -13.838 11.548 1.00 0.00 H new ATOM 0 HG23 THR A 43 -19.773 -14.778 11.926 1.00 0.00 H new ATOM 629 N GLY A 44 -18.409 -17.455 10.188 1.00 0.00 N ATOM 630 CA GLY A 44 -19.437 -17.945 9.288 1.00 0.00 C ATOM 631 C GLY A 44 -18.916 -19.002 8.334 1.00 0.00 C ATOM 632 O GLY A 44 -17.707 -19.170 8.185 1.00 0.00 O ATOM 0 H GLY A 44 -17.453 -17.589 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -20.259 -18.360 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.842 -17.111 8.715 1.00 0.00 H new ATOM 636 N GLU A 45 -19.833 -19.716 7.688 1.00 0.00 N ATOM 637 CA GLU A 45 -19.458 -20.764 6.746 1.00 0.00 C ATOM 638 C GLU A 45 -20.310 -20.689 5.481 1.00 0.00 C ATOM 639 O GLU A 45 -21.486 -20.325 5.531 1.00 0.00 O ATOM 640 CB GLU A 45 -19.610 -22.141 7.395 1.00 0.00 C ATOM 641 CG GLU A 45 -18.530 -22.454 8.417 1.00 0.00 C ATOM 642 CD GLU A 45 -17.193 -22.769 7.776 1.00 0.00 C ATOM 643 OE1 GLU A 45 -16.918 -22.231 6.683 1.00 0.00 O ATOM 644 OE2 GLU A 45 -16.421 -23.553 8.366 1.00 0.00 O ATOM 0 H GLU A 45 -20.839 -19.588 7.800 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.414 -20.613 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.585 -22.200 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.594 -22.904 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.415 -21.604 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.846 -23.302 9.025 1.00 0.00 H new ATOM 651 N LYS A 46 -19.709 -21.036 4.349 1.00 0.00 N ATOM 652 CA LYS A 46 -20.410 -21.009 3.071 1.00 0.00 C ATOM 653 C LYS A 46 -20.513 -22.410 2.477 1.00 0.00 C ATOM 654 O LYS A 46 -19.512 -23.044 2.144 1.00 0.00 O ATOM 655 CB LYS A 46 -19.690 -20.080 2.091 1.00 0.00 C ATOM 656 CG LYS A 46 -19.814 -18.607 2.445 1.00 0.00 C ATOM 657 CD LYS A 46 -18.825 -18.211 3.529 1.00 0.00 C ATOM 658 CE LYS A 46 -19.124 -16.822 4.074 1.00 0.00 C ATOM 659 NZ LYS A 46 -18.614 -16.651 5.462 1.00 0.00 N ATOM 0 H LYS A 46 -18.737 -21.340 4.290 1.00 0.00 H new ATOM 0 HA LYS A 46 -21.418 -20.633 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -18.634 -20.349 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -20.092 -20.240 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.642 -18.002 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -20.829 -18.397 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.862 -18.938 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.812 -18.235 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.671 -16.072 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.200 -16.649 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.837 -15.692 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.065 -17.350 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.583 -16.791 5.473 1.00 0.00 H new ATOM 673 N PRO A 47 -21.751 -22.906 2.339 1.00 0.00 N ATOM 674 CA PRO A 47 -22.014 -24.237 1.783 1.00 0.00 C ATOM 675 C PRO A 47 -21.712 -24.310 0.290 1.00 0.00 C ATOM 676 O PRO A 47 -21.008 -25.212 -0.167 1.00 0.00 O ATOM 677 CB PRO A 47 -23.510 -24.438 2.036 1.00 0.00 C ATOM 678 CG PRO A 47 -24.070 -23.059 2.110 1.00 0.00 C ATOM 679 CD PRO A 47 -22.991 -22.205 2.714 1.00 0.00 C ATOM 0 HA PRO A 47 -21.385 -25.001 2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -23.974 -25.011 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -23.685 -24.987 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -24.346 -22.696 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -24.973 -23.037 2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -23.014 -21.189 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.098 -22.128 3.796 1.00 0.00 H new ATOM 687 N PHE A 48 -22.248 -23.359 -0.465 1.00 0.00 N ATOM 688 CA PHE A 48 -22.037 -23.317 -1.908 1.00 0.00 C ATOM 689 C PHE A 48 -20.603 -22.909 -2.235 1.00 0.00 C ATOM 690 O PHE A 48 -20.153 -21.825 -1.860 1.00 0.00 O ATOM 691 CB PHE A 48 -23.018 -22.341 -2.561 1.00 0.00 C ATOM 692 CG PHE A 48 -24.458 -22.724 -2.372 1.00 0.00 C ATOM 693 CD1 PHE A 48 -25.072 -23.614 -3.238 1.00 0.00 C ATOM 694 CD2 PHE A 48 -25.199 -22.192 -1.328 1.00 0.00 C ATOM 695 CE1 PHE A 48 -26.396 -23.968 -3.067 1.00 0.00 C ATOM 696 CE2 PHE A 48 -26.523 -22.543 -1.152 1.00 0.00 C ATOM 697 CZ PHE A 48 -27.124 -23.431 -2.023 1.00 0.00 C ATOM 0 H PHE A 48 -22.832 -22.606 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 48 -22.212 -24.317 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -22.858 -21.345 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -22.803 -22.281 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -24.508 -24.036 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -24.736 -21.495 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -26.862 -24.664 -3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -27.089 -22.123 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 48 -28.160 -23.705 -1.888 1.00 0.00 H new ATOM 707 N SER A 49 -19.890 -23.784 -2.936 1.00 0.00 N ATOM 708 CA SER A 49 -18.506 -23.519 -3.310 1.00 0.00 C ATOM 709 C SER A 49 -18.300 -23.723 -4.809 1.00 0.00 C ATOM 710 O SER A 49 -18.917 -24.597 -5.419 1.00 0.00 O ATOM 711 CB SER A 49 -17.560 -24.430 -2.526 1.00 0.00 C ATOM 712 OG SER A 49 -17.763 -25.790 -2.864 1.00 0.00 O ATOM 0 H SER A 49 -20.248 -24.684 -3.257 1.00 0.00 H new ATOM 0 HA SER A 49 -18.283 -22.480 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.527 -24.151 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 49 -17.719 -24.290 -1.457 1.00 0.00 H new ATOM 0 HG SER A 49 -17.145 -26.351 -2.350 1.00 0.00 H new ATOM 718 N CYS A 50 -17.429 -22.909 -5.395 1.00 0.00 N ATOM 719 CA CYS A 50 -17.140 -22.997 -6.821 1.00 0.00 C ATOM 720 C CYS A 50 -16.554 -24.361 -7.175 1.00 0.00 C ATOM 721 O CYS A 50 -15.771 -24.928 -6.413 1.00 0.00 O ATOM 722 CB CYS A 50 -16.169 -21.890 -7.236 1.00 0.00 C ATOM 723 SG CYS A 50 -15.860 -21.804 -9.029 1.00 0.00 S ATOM 0 H CYS A 50 -16.911 -22.180 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 50 -18.077 -22.872 -7.364 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -16.563 -20.931 -6.900 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -15.220 -22.042 -6.722 1.00 0.00 H new ATOM 728 N SER A 51 -16.940 -24.881 -8.335 1.00 0.00 N ATOM 729 CA SER A 51 -16.455 -26.181 -8.789 1.00 0.00 C ATOM 730 C SER A 51 -15.253 -26.020 -9.713 1.00 0.00 C ATOM 731 O SER A 51 -14.890 -26.942 -10.443 1.00 0.00 O ATOM 732 CB SER A 51 -17.570 -26.941 -9.510 1.00 0.00 C ATOM 733 OG SER A 51 -17.395 -28.341 -9.389 1.00 0.00 O ATOM 0 H SER A 51 -17.586 -24.424 -8.978 1.00 0.00 H new ATOM 0 HA SER A 51 -16.144 -26.751 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.536 -26.655 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.581 -26.663 -10.564 1.00 0.00 H new ATOM 0 HG SER A 51 -18.121 -28.803 -9.857 1.00 0.00 H new ATOM 739 N TRP A 52 -14.640 -24.843 -9.676 1.00 0.00 N ATOM 740 CA TRP A 52 -13.478 -24.560 -10.511 1.00 0.00 C ATOM 741 C TRP A 52 -12.184 -24.852 -9.759 1.00 0.00 C ATOM 742 O TRP A 52 -11.914 -24.261 -8.714 1.00 0.00 O ATOM 743 CB TRP A 52 -13.496 -23.101 -10.970 1.00 0.00 C ATOM 744 CG TRP A 52 -12.512 -22.808 -12.061 1.00 0.00 C ATOM 745 CD1 TRP A 52 -11.263 -22.277 -11.917 1.00 0.00 C ATOM 746 CD2 TRP A 52 -12.697 -23.031 -13.464 1.00 0.00 C ATOM 747 NE1 TRP A 52 -10.659 -22.154 -13.145 1.00 0.00 N ATOM 748 CE2 TRP A 52 -11.517 -22.611 -14.110 1.00 0.00 C ATOM 749 CE3 TRP A 52 -13.741 -23.545 -14.236 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -11.358 -22.689 -15.492 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -13.582 -23.621 -15.606 1.00 0.00 C ATOM 752 CH2 TRP A 52 -12.397 -23.196 -16.223 1.00 0.00 C ATOM 0 H TRP A 52 -14.928 -24.069 -9.077 1.00 0.00 H new ATOM 0 HA TRP A 52 -13.524 -25.209 -11.385 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -14.498 -22.850 -11.318 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -13.284 -22.457 -10.117 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.815 -21.995 -10.976 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -9.724 -21.783 -13.311 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -14.657 -23.877 -13.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -10.446 -22.361 -15.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -14.384 -24.015 -16.212 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.303 -23.270 -17.296 1.00 0.00 H new ATOM 763 N LYS A 53 -11.385 -25.767 -10.298 1.00 0.00 N ATOM 764 CA LYS A 53 -10.119 -26.138 -9.680 1.00 0.00 C ATOM 765 C LYS A 53 -9.195 -24.929 -9.566 1.00 0.00 C ATOM 766 O LYS A 53 -8.887 -24.276 -10.561 1.00 0.00 O ATOM 767 CB LYS A 53 -9.434 -27.241 -10.491 1.00 0.00 C ATOM 768 CG LYS A 53 -10.247 -28.521 -10.584 1.00 0.00 C ATOM 769 CD LYS A 53 -10.009 -29.421 -9.383 1.00 0.00 C ATOM 770 CE LYS A 53 -8.679 -30.150 -9.489 1.00 0.00 C ATOM 771 NZ LYS A 53 -8.165 -30.565 -8.154 1.00 0.00 N ATOM 0 H LYS A 53 -11.593 -26.266 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.329 -26.510 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.237 -26.872 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.468 -27.466 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.307 -28.276 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.984 -29.055 -11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.027 -28.825 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.818 -30.147 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.797 -31.029 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.948 -29.503 -9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.257 -31.059 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.028 -29.724 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.850 -31.203 -7.701 1.00 0.00 H new ATOM 785 N GLY A 54 -8.755 -24.640 -8.346 1.00 0.00 N ATOM 786 CA GLY A 54 -7.870 -23.511 -8.125 1.00 0.00 C ATOM 787 C GLY A 54 -8.607 -22.287 -7.618 1.00 0.00 C ATOM 788 O GLY A 54 -8.160 -21.629 -6.677 1.00 0.00 O ATOM 0 H GLY A 54 -8.995 -25.167 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.101 -23.792 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.361 -23.265 -9.057 1.00 0.00 H new ATOM 792 N CYS A 55 -9.737 -21.977 -8.244 1.00 0.00 N ATOM 793 CA CYS A 55 -10.536 -20.823 -7.853 1.00 0.00 C ATOM 794 C CYS A 55 -10.601 -20.695 -6.335 1.00 0.00 C ATOM 795 O CYS A 55 -10.294 -19.642 -5.777 1.00 0.00 O ATOM 796 CB CYS A 55 -11.950 -20.938 -8.428 1.00 0.00 C ATOM 797 SG CYS A 55 -12.950 -19.424 -8.250 1.00 0.00 S ATOM 0 H CYS A 55 -10.120 -22.510 -9.025 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.059 -19.929 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.881 -21.193 -9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.466 -21.762 -7.934 1.00 0.00 H new ATOM 802 N GLU A 56 -11.003 -21.775 -5.672 1.00 0.00 N ATOM 803 CA GLU A 56 -11.108 -21.782 -4.217 1.00 0.00 C ATOM 804 C GLU A 56 -11.990 -20.636 -3.730 1.00 0.00 C ATOM 805 O GLU A 56 -11.678 -19.978 -2.737 1.00 0.00 O ATOM 806 CB GLU A 56 -9.720 -21.678 -3.583 1.00 0.00 C ATOM 807 CG GLU A 56 -9.703 -22.003 -2.098 1.00 0.00 C ATOM 808 CD GLU A 56 -8.409 -21.592 -1.426 1.00 0.00 C ATOM 809 OE1 GLU A 56 -7.910 -20.487 -1.725 1.00 0.00 O ATOM 810 OE2 GLU A 56 -7.894 -22.374 -0.599 1.00 0.00 O ATOM 0 H GLU A 56 -11.261 -22.655 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.567 -22.724 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.041 -22.354 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.338 -20.668 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.537 -21.499 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.854 -23.074 -1.963 1.00 0.00 H new ATOM 817 N ARG A 57 -13.092 -20.403 -4.436 1.00 0.00 N ATOM 818 CA ARG A 57 -14.017 -19.336 -4.077 1.00 0.00 C ATOM 819 C ARG A 57 -15.390 -19.902 -3.723 1.00 0.00 C ATOM 820 O ARG A 57 -15.964 -20.683 -4.482 1.00 0.00 O ATOM 821 CB ARG A 57 -14.148 -18.335 -5.227 1.00 0.00 C ATOM 822 CG ARG A 57 -12.853 -17.607 -5.551 1.00 0.00 C ATOM 823 CD ARG A 57 -12.444 -16.672 -4.424 1.00 0.00 C ATOM 824 NE ARG A 57 -11.637 -17.351 -3.414 1.00 0.00 N ATOM 825 CZ ARG A 57 -11.290 -16.798 -2.257 1.00 0.00 C ATOM 826 NH1 ARG A 57 -11.677 -15.563 -1.966 1.00 0.00 N ATOM 827 NH2 ARG A 57 -10.554 -17.480 -1.389 1.00 0.00 N ATOM 0 H ARG A 57 -13.365 -20.939 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.617 -18.823 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.492 -18.861 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.914 -17.602 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.060 -18.334 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.975 -17.037 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.881 -15.834 -4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.336 -16.257 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.323 -18.302 -3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.242 -15.036 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.409 -15.141 -1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.254 -18.430 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.288 -17.055 -0.501 1.00 0.00 H new ATOM 841 N ARG A 58 -15.909 -19.503 -2.567 1.00 0.00 N ATOM 842 CA ARG A 58 -17.212 -19.973 -2.112 1.00 0.00 C ATOM 843 C ARG A 58 -18.171 -18.802 -1.911 1.00 0.00 C ATOM 844 O ARG A 58 -17.794 -17.642 -2.074 1.00 0.00 O ATOM 845 CB ARG A 58 -17.068 -20.758 -0.808 1.00 0.00 C ATOM 846 CG ARG A 58 -16.085 -21.915 -0.898 1.00 0.00 C ATOM 847 CD ARG A 58 -16.308 -22.924 0.216 1.00 0.00 C ATOM 848 NE ARG A 58 -16.028 -22.357 1.532 1.00 0.00 N ATOM 849 CZ ARG A 58 -14.818 -22.334 2.080 1.00 0.00 C ATOM 850 NH1 ARG A 58 -13.782 -22.843 1.428 1.00 0.00 N ATOM 851 NH2 ARG A 58 -14.643 -21.800 3.282 1.00 0.00 N ATOM 0 H ARG A 58 -15.447 -18.855 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.622 -20.630 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.745 -20.079 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.045 -21.144 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.190 -22.409 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.066 -21.533 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.339 -23.276 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.670 -23.792 0.052 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.804 -21.957 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.913 -23.253 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.854 -22.824 1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.438 -21.407 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.714 -21.783 3.702 1.00 0.00 H new ATOM 865 N PHE A 59 -19.412 -19.117 -1.556 1.00 0.00 N ATOM 866 CA PHE A 59 -20.426 -18.091 -1.333 1.00 0.00 C ATOM 867 C PHE A 59 -21.546 -18.619 -0.441 1.00 0.00 C ATOM 868 O PHE A 59 -21.888 -19.800 -0.490 1.00 0.00 O ATOM 869 CB PHE A 59 -21.003 -17.617 -2.668 1.00 0.00 C ATOM 870 CG PHE A 59 -19.960 -17.128 -3.632 1.00 0.00 C ATOM 871 CD1 PHE A 59 -19.562 -15.801 -3.629 1.00 0.00 C ATOM 872 CD2 PHE A 59 -19.377 -17.995 -4.542 1.00 0.00 C ATOM 873 CE1 PHE A 59 -18.602 -15.348 -4.514 1.00 0.00 C ATOM 874 CE2 PHE A 59 -18.417 -17.548 -5.430 1.00 0.00 C ATOM 875 CZ PHE A 59 -18.030 -16.223 -5.417 1.00 0.00 C ATOM 0 H PHE A 59 -19.740 -20.073 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 59 -19.951 -17.248 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -21.555 -18.437 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -21.718 -16.816 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -20.007 -15.112 -2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -19.676 -19.033 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -18.299 -14.311 -4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.970 -18.235 -6.134 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.281 -15.871 -6.111 1.00 0.00 H new ATOM 885 N ALA A 60 -22.112 -17.735 0.373 1.00 0.00 N ATOM 886 CA ALA A 60 -23.194 -18.110 1.275 1.00 0.00 C ATOM 887 C ALA A 60 -24.487 -18.360 0.507 1.00 0.00 C ATOM 888 O ALA A 60 -25.193 -19.335 0.763 1.00 0.00 O ATOM 889 CB ALA A 60 -23.403 -17.031 2.326 1.00 0.00 C ATOM 0 H ALA A 60 -21.839 -16.754 0.427 1.00 0.00 H new ATOM 0 HA ALA A 60 -22.913 -19.038 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -24.214 -17.325 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -22.487 -16.903 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -23.658 -16.091 1.837 1.00 0.00 H new ATOM 895 N ARG A 61 -24.793 -17.473 -0.435 1.00 0.00 N ATOM 896 CA ARG A 61 -26.002 -17.597 -1.239 1.00 0.00 C ATOM 897 C ARG A 61 -25.712 -18.324 -2.548 1.00 0.00 C ATOM 898 O ARG A 61 -24.653 -18.143 -3.150 1.00 0.00 O ATOM 899 CB ARG A 61 -26.591 -16.215 -1.529 1.00 0.00 C ATOM 900 CG ARG A 61 -27.373 -15.630 -0.365 1.00 0.00 C ATOM 901 CD ARG A 61 -28.408 -14.621 -0.840 1.00 0.00 C ATOM 902 NE ARG A 61 -28.902 -13.788 0.252 1.00 0.00 N ATOM 903 CZ ARG A 61 -30.124 -13.270 0.286 1.00 0.00 C ATOM 904 NH1 ARG A 61 -30.974 -13.500 -0.707 1.00 0.00 N ATOM 905 NH2 ARG A 61 -30.500 -12.521 1.315 1.00 0.00 N ATOM 0 H ARG A 61 -24.219 -16.660 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.727 -18.181 -0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -25.783 -15.533 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.246 -16.283 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -27.869 -16.432 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.686 -15.148 0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -27.969 -13.986 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -29.244 -15.148 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 61 -28.274 -13.593 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -30.689 -14.076 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -31.912 -13.101 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -29.850 -12.343 2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -31.439 -12.123 1.340 1.00 0.00 H new ATOM 919 N SER A 62 -26.660 -19.148 -2.984 1.00 0.00 N ATOM 920 CA SER A 62 -26.505 -19.905 -4.220 1.00 0.00 C ATOM 921 C SER A 62 -26.425 -18.972 -5.424 1.00 0.00 C ATOM 922 O SER A 62 -25.520 -19.084 -6.251 1.00 0.00 O ATOM 923 CB SER A 62 -27.670 -20.882 -4.395 1.00 0.00 C ATOM 924 OG SER A 62 -27.429 -21.777 -5.466 1.00 0.00 O ATOM 0 H SER A 62 -27.543 -19.308 -2.499 1.00 0.00 H new ATOM 0 HA SER A 62 -25.574 -20.468 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 62 -27.818 -21.445 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 62 -28.589 -20.327 -4.581 1.00 0.00 H new ATOM 0 HG SER A 62 -27.064 -22.616 -5.115 1.00 0.00 H new ATOM 930 N ASP A 63 -27.378 -18.051 -5.514 1.00 0.00 N ATOM 931 CA ASP A 63 -27.416 -17.095 -6.615 1.00 0.00 C ATOM 932 C ASP A 63 -26.021 -16.557 -6.916 1.00 0.00 C ATOM 933 O ASP A 63 -25.621 -16.458 -8.076 1.00 0.00 O ATOM 934 CB ASP A 63 -28.362 -15.941 -6.283 1.00 0.00 C ATOM 935 CG ASP A 63 -29.817 -16.298 -6.514 1.00 0.00 C ATOM 936 OD1 ASP A 63 -30.188 -16.549 -7.680 1.00 0.00 O ATOM 937 OD2 ASP A 63 -30.584 -16.328 -5.530 1.00 0.00 O ATOM 0 H ASP A 63 -28.135 -17.946 -4.838 1.00 0.00 H new ATOM 0 HA ASP A 63 -27.784 -17.612 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -28.224 -15.650 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -28.102 -15.076 -6.893 1.00 0.00 H new ATOM 942 N GLU A 64 -25.287 -16.209 -5.865 1.00 0.00 N ATOM 943 CA GLU A 64 -23.937 -15.678 -6.017 1.00 0.00 C ATOM 944 C GLU A 64 -23.036 -16.680 -6.733 1.00 0.00 C ATOM 945 O GLU A 64 -22.335 -16.334 -7.685 1.00 0.00 O ATOM 946 CB GLU A 64 -23.344 -15.329 -4.650 1.00 0.00 C ATOM 947 CG GLU A 64 -24.090 -14.217 -3.930 1.00 0.00 C ATOM 948 CD GLU A 64 -24.336 -13.012 -4.815 1.00 0.00 C ATOM 949 OE1 GLU A 64 -23.430 -12.655 -5.598 1.00 0.00 O ATOM 950 OE2 GLU A 64 -25.435 -12.424 -4.727 1.00 0.00 O ATOM 0 H GLU A 64 -25.604 -16.285 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.997 -14.772 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -23.346 -16.221 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -22.303 -15.032 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.045 -14.599 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -23.519 -13.909 -3.054 1.00 0.00 H new ATOM 957 N LEU A 65 -23.061 -17.925 -6.269 1.00 0.00 N ATOM 958 CA LEU A 65 -22.247 -18.979 -6.864 1.00 0.00 C ATOM 959 C LEU A 65 -22.472 -19.057 -8.370 1.00 0.00 C ATOM 960 O LEU A 65 -21.545 -18.868 -9.158 1.00 0.00 O ATOM 961 CB LEU A 65 -22.570 -20.327 -6.218 1.00 0.00 C ATOM 962 CG LEU A 65 -21.889 -21.549 -6.835 1.00 0.00 C ATOM 963 CD1 LEU A 65 -20.379 -21.452 -6.683 1.00 0.00 C ATOM 964 CD2 LEU A 65 -22.410 -22.829 -6.199 1.00 0.00 C ATOM 0 H LEU A 65 -23.636 -18.229 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 65 -21.199 -18.739 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.296 -20.277 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -23.649 -20.478 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 65 -22.126 -21.574 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.911 -22.330 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.019 -20.555 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.122 -21.401 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.914 -23.688 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.205 -22.813 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.485 -22.904 -6.361 1.00 0.00 H new ATOM 976 N SER A 66 -23.711 -19.336 -8.765 1.00 0.00 N ATOM 977 CA SER A 66 -24.058 -19.441 -10.176 1.00 0.00 C ATOM 978 C SER A 66 -23.605 -18.201 -10.941 1.00 0.00 C ATOM 979 O SER A 66 -22.903 -18.301 -11.947 1.00 0.00 O ATOM 980 CB SER A 66 -25.568 -19.630 -10.339 1.00 0.00 C ATOM 981 OG SER A 66 -25.900 -19.946 -11.680 1.00 0.00 O ATOM 0 H SER A 66 -24.491 -19.493 -8.126 1.00 0.00 H new ATOM 0 HA SER A 66 -23.543 -20.309 -10.587 1.00 0.00 H new ATOM 0 HB2 SER A 66 -25.911 -20.426 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 66 -26.086 -18.720 -10.037 1.00 0.00 H new ATOM 0 HG SER A 66 -26.870 -20.064 -11.758 1.00 0.00 H new ATOM 987 N ARG A 67 -24.012 -17.033 -10.455 1.00 0.00 N ATOM 988 CA ARG A 67 -23.649 -15.772 -11.093 1.00 0.00 C ATOM 989 C ARG A 67 -22.133 -15.609 -11.151 1.00 0.00 C ATOM 990 O ARG A 67 -21.616 -14.764 -11.883 1.00 0.00 O ATOM 991 CB ARG A 67 -24.270 -14.596 -10.337 1.00 0.00 C ATOM 992 CG ARG A 67 -23.825 -13.238 -10.852 1.00 0.00 C ATOM 993 CD ARG A 67 -24.879 -12.172 -10.595 1.00 0.00 C ATOM 994 NE ARG A 67 -24.337 -10.822 -10.727 1.00 0.00 N ATOM 995 CZ ARG A 67 -25.073 -9.722 -10.636 1.00 0.00 C ATOM 996 NH1 ARG A 67 -26.378 -9.810 -10.412 1.00 0.00 N ATOM 997 NH2 ARG A 67 -24.507 -8.528 -10.767 1.00 0.00 N ATOM 0 H ARG A 67 -24.593 -16.933 -9.622 1.00 0.00 H new ATOM 0 HA ARG A 67 -24.035 -15.785 -12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -25.356 -14.663 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -24.012 -14.677 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -22.891 -12.952 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -23.623 -13.301 -11.921 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -25.704 -12.301 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -25.289 -12.302 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 67 -23.337 -10.719 -10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -26.817 -10.725 -10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -26.942 -8.963 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.504 -8.455 -10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -25.075 -7.684 -10.697 1.00 0.00 H new ATOM 1011 N HIS A 68 -21.425 -16.423 -10.375 1.00 0.00 N ATOM 1012 CA HIS A 68 -19.968 -16.369 -10.338 1.00 0.00 C ATOM 1013 C HIS A 68 -19.362 -17.444 -11.236 1.00 0.00 C ATOM 1014 O HIS A 68 -18.265 -17.274 -11.769 1.00 0.00 O ATOM 1015 CB HIS A 68 -19.465 -16.545 -8.905 1.00 0.00 C ATOM 1016 CG HIS A 68 -18.061 -17.058 -8.821 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -17.009 -16.299 -8.352 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -17.538 -18.263 -9.147 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -15.899 -17.015 -8.395 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -16.193 -18.211 -8.873 1.00 0.00 N ATOM 0 H HIS A 68 -21.836 -17.128 -9.763 1.00 0.00 H new ATOM 0 HA HIS A 68 -19.657 -15.392 -10.707 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -19.525 -15.587 -8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -20.126 -17.233 -8.379 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -17.077 -15.336 -8.023 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -18.078 -19.108 -9.548 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.918 -16.679 -8.091 1.00 0.00 H new ATOM 1028 N ARG A 69 -20.083 -18.548 -11.400 1.00 0.00 N ATOM 1029 CA ARG A 69 -19.615 -19.650 -12.233 1.00 0.00 C ATOM 1030 C ARG A 69 -19.910 -19.382 -13.705 1.00 0.00 C ATOM 1031 O ARG A 69 -19.126 -19.746 -14.582 1.00 0.00 O ATOM 1032 CB ARG A 69 -20.277 -20.960 -11.800 1.00 0.00 C ATOM 1033 CG ARG A 69 -19.605 -21.614 -10.603 1.00 0.00 C ATOM 1034 CD ARG A 69 -18.505 -22.571 -11.037 1.00 0.00 C ATOM 1035 NE ARG A 69 -19.005 -23.610 -11.933 1.00 0.00 N ATOM 1036 CZ ARG A 69 -19.794 -24.603 -11.537 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -20.171 -24.691 -10.270 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -20.208 -25.512 -12.412 1.00 0.00 N ATOM 0 H ARG A 69 -20.993 -18.704 -10.967 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.536 -19.736 -12.106 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -21.322 -20.767 -11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -20.267 -21.657 -12.638 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -19.185 -20.845 -9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -20.349 -22.154 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -17.714 -22.011 -11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -18.060 -23.035 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 69 -18.734 -23.571 -12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -19.856 -23.995 -9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -20.777 -25.455 -9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.920 -25.448 -13.388 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -20.814 -26.274 -12.108 1.00 0.00 H new ATOM 1052 N ARG A 70 -21.045 -18.743 -13.970 1.00 0.00 N ATOM 1053 CA ARG A 70 -21.443 -18.428 -15.337 1.00 0.00 C ATOM 1054 C ARG A 70 -20.248 -17.947 -16.155 1.00 0.00 C ATOM 1055 O ARG A 70 -20.080 -18.330 -17.313 1.00 0.00 O ATOM 1056 CB ARG A 70 -22.538 -17.359 -15.337 1.00 0.00 C ATOM 1057 CG ARG A 70 -22.294 -16.236 -14.343 1.00 0.00 C ATOM 1058 CD ARG A 70 -21.566 -15.068 -14.989 1.00 0.00 C ATOM 1059 NE ARG A 70 -22.491 -14.093 -15.557 1.00 0.00 N ATOM 1060 CZ ARG A 70 -22.384 -12.781 -15.370 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -21.395 -12.293 -14.633 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -23.266 -11.956 -15.920 1.00 0.00 N ATOM 0 H ARG A 70 -21.705 -18.433 -13.256 1.00 0.00 H new ATOM 0 HA ARG A 70 -21.831 -19.338 -15.795 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -22.620 -16.935 -16.338 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -23.494 -17.831 -15.111 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -23.246 -15.893 -13.939 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -21.708 -16.612 -13.504 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -20.935 -14.579 -14.247 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -20.906 -15.441 -15.772 1.00 0.00 H new ATOM 0 HE ARG A 70 -23.262 -14.437 -16.129 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -20.715 -12.924 -14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -21.314 -11.286 -14.490 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -24.028 -12.328 -16.487 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -23.182 -10.950 -15.775 1.00 0.00 H new ATOM 1076 N THR A 71 -19.420 -17.106 -15.545 1.00 0.00 N ATOM 1077 CA THR A 71 -18.242 -16.571 -16.215 1.00 0.00 C ATOM 1078 C THR A 71 -17.194 -17.656 -16.435 1.00 0.00 C ATOM 1079 O THR A 71 -16.488 -17.657 -17.443 1.00 0.00 O ATOM 1080 CB THR A 71 -17.611 -15.419 -15.411 1.00 0.00 C ATOM 1081 OG1 THR A 71 -16.493 -14.878 -16.124 1.00 0.00 O ATOM 1082 CG2 THR A 71 -17.159 -15.901 -14.040 1.00 0.00 C ATOM 0 H THR A 71 -19.544 -16.780 -14.586 1.00 0.00 H new ATOM 0 HA THR A 71 -18.575 -16.190 -17.180 1.00 0.00 H new ATOM 0 HB THR A 71 -18.365 -14.643 -15.277 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.099 -14.145 -15.607 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.716 -15.070 -13.490 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.017 -16.285 -13.488 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.419 -16.693 -14.158 1.00 0.00 H new ATOM 1090 N HIS A 72 -17.099 -18.582 -15.484 1.00 0.00 N ATOM 1091 CA HIS A 72 -16.138 -19.675 -15.574 1.00 0.00 C ATOM 1092 C HIS A 72 -16.594 -20.869 -14.743 1.00 0.00 C ATOM 1093 O HIS A 72 -17.080 -20.710 -13.623 1.00 0.00 O ATOM 1094 CB HIS A 72 -14.759 -19.208 -15.105 1.00 0.00 C ATOM 1095 CG HIS A 72 -14.507 -19.453 -13.650 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -13.342 -20.015 -13.171 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -15.277 -19.207 -12.564 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -13.408 -20.106 -11.855 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -14.572 -19.622 -11.462 1.00 0.00 N ATOM 0 H HIS A 72 -17.676 -18.596 -14.643 1.00 0.00 H new ATOM 0 HA HIS A 72 -16.073 -19.985 -16.617 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -13.993 -19.719 -15.689 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.657 -18.142 -15.309 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -12.553 -20.314 -13.744 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -16.263 -18.766 -12.565 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.641 -20.508 -11.210 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.819 -11.416 9.025 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -14.963 -19.701 -9.436 1.00 0.00 ZN