USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot 180:sc= -0.219 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.0136 K(o=-0.23,f=-0.84) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.425 K(o=-0.43,f=-6.6!) USER MOD Single : A 18 LYS NZ :NH3+ -131:sc=-0.00541 (180deg=-1.22!) USER MOD Single : A 36 GLN : amide:sc= 0.502 K(o=0.5,f=-6.5!) USER MOD Single : A 38 ASN : amide:sc= -2.49 K(o=-2.5,f=-6.2!) USER MOD Single : A 39 MET CE :methyl -156:sc= -1.51 (180deg=-2.84!) USER MOD Single : A 43 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.059) USER MOD Single : A 45 SER OG : rot 134:sc= 0.632 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -15:sc= -3.78! USER MOD Single : A 55 HIS : no HD1:sc= -0.892 X(o=-0.89,f=-0.57) USER MOD Single : A 63 SER OG : rot -170:sc= 1.1 USER MOD Single : A 67 TYR OH : rot -65:sc= 1.24 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0095 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.401 USER MOD Single : A 75 ASN : amide:sc= -0.621 K(o=-0.62,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ -153:sc= 0.637 (180deg=-0.335!) USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= -0.278 (180deg=-1.14) USER MOD Single : A 82 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.011) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 4.943 -2.775 -3.344 1.00 0.00 N ATOM 28 CA THR A 3 5.949 -2.487 -4.358 1.00 0.00 C ATOM 29 C THR A 3 7.352 -2.512 -3.763 1.00 0.00 C ATOM 30 O THR A 3 7.570 -2.144 -2.609 1.00 0.00 O ATOM 31 CB THR A 3 5.707 -1.114 -5.015 1.00 0.00 C ATOM 32 OG1 THR A 3 6.885 -0.688 -5.708 1.00 0.00 O ATOM 33 CG2 THR A 3 5.322 -0.076 -3.973 1.00 0.00 C ATOM 0 HA THR A 3 5.865 -3.265 -5.117 1.00 0.00 H new ATOM 0 HB THR A 3 4.886 -1.215 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.722 0.184 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.156 0.885 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.408 -0.389 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.125 0.021 -3.243 1.00 0.00 H new ATOM 41 N PRO A 4 8.329 -2.956 -4.568 1.00 0.00 N ATOM 42 CA PRO A 4 9.730 -3.039 -4.142 1.00 0.00 C ATOM 43 C PRO A 4 10.364 -1.663 -3.968 1.00 0.00 C ATOM 44 O PRO A 4 10.457 -1.149 -2.853 1.00 0.00 O ATOM 45 CB PRO A 4 10.404 -3.798 -5.288 1.00 0.00 C ATOM 46 CG PRO A 4 9.548 -3.529 -6.477 1.00 0.00 C ATOM 47 CD PRO A 4 8.142 -3.411 -5.956 1.00 0.00 C ATOM 0 HA PRO A 4 9.834 -3.525 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.424 -3.449 -5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.462 -4.866 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.856 -2.613 -6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.628 -4.335 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.557 -2.698 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.616 -4.365 -5.999 1.00 0.00 H new ATOM 55 N ARG A 5 10.800 -1.073 -5.076 1.00 0.00 N ATOM 56 CA ARG A 5 11.427 0.243 -5.044 1.00 0.00 C ATOM 57 C ARG A 5 10.942 1.104 -6.207 1.00 0.00 C ATOM 58 O ARG A 5 10.626 0.594 -7.282 1.00 0.00 O ATOM 59 CB ARG A 5 12.950 0.107 -5.097 1.00 0.00 C ATOM 60 CG ARG A 5 13.602 0.029 -3.727 1.00 0.00 C ATOM 61 CD ARG A 5 14.001 -1.397 -3.380 1.00 0.00 C ATOM 62 NE ARG A 5 15.185 -1.443 -2.527 1.00 0.00 N ATOM 63 CZ ARG A 5 15.542 -2.511 -1.822 1.00 0.00 C ATOM 64 NH1 ARG A 5 14.810 -3.616 -1.869 1.00 0.00 N ATOM 65 NH2 ARG A 5 16.633 -2.475 -1.068 1.00 0.00 N ATOM 0 H ARG A 5 10.731 -1.485 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 5 11.145 0.730 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.207 -0.788 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.364 0.957 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.483 0.670 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.913 0.409 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.172 -1.893 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.194 -1.953 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 5 15.770 -0.610 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.971 -3.647 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.087 -4.434 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.198 -1.627 -1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.906 -3.295 -0.527 1.00 0.00 H new ATOM 79 N PHE A 6 10.885 2.413 -5.983 1.00 0.00 N ATOM 80 CA PHE A 6 10.437 3.345 -7.011 1.00 0.00 C ATOM 81 C PHE A 6 10.872 4.770 -6.680 1.00 0.00 C ATOM 82 O PHE A 6 10.921 5.160 -5.514 1.00 0.00 O ATOM 83 CB PHE A 6 8.915 3.286 -7.155 1.00 0.00 C ATOM 84 CG PHE A 6 8.179 3.896 -5.997 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.840 3.130 -4.893 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.825 5.236 -6.012 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.162 3.689 -3.826 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.147 5.800 -4.948 1.00 0.00 C ATOM 89 CZ PHE A 6 6.816 5.026 -3.853 1.00 0.00 C ATOM 0 H PHE A 6 11.143 2.852 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 6 10.896 3.053 -7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.625 3.800 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.608 2.246 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.109 2.084 -4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.082 5.846 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.903 3.081 -2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.876 6.845 -4.973 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.288 5.465 -3.020 1.00 0.00 H new ATOM 99 N SER A 7 11.188 5.541 -7.716 1.00 0.00 N ATOM 100 CA SER A 7 11.623 6.921 -7.536 1.00 0.00 C ATOM 101 C SER A 7 10.746 7.877 -8.339 1.00 0.00 C ATOM 102 O SER A 7 10.363 7.582 -9.472 1.00 0.00 O ATOM 103 CB SER A 7 13.085 7.076 -7.959 1.00 0.00 C ATOM 104 OG SER A 7 13.884 7.527 -6.879 1.00 0.00 O ATOM 0 H SER A 7 11.151 5.234 -8.688 1.00 0.00 H new ATOM 0 HA SER A 7 11.529 7.170 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.465 6.121 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.154 7.782 -8.786 1.00 0.00 H new ATOM 0 HG SER A 7 14.814 7.616 -7.175 1.00 0.00 H new ATOM 110 N ILE A 8 10.431 9.023 -7.744 1.00 0.00 N ATOM 111 CA ILE A 8 9.600 10.022 -8.404 1.00 0.00 C ATOM 112 C ILE A 8 10.423 11.239 -8.811 1.00 0.00 C ATOM 113 O ILE A 8 11.316 11.672 -8.082 1.00 0.00 O ATOM 114 CB ILE A 8 8.443 10.480 -7.496 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.821 9.278 -6.781 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.392 11.220 -8.310 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.708 9.652 -5.828 1.00 0.00 C ATOM 0 H ILE A 8 10.739 9.282 -6.807 1.00 0.00 H new ATOM 0 HA ILE A 8 9.187 9.550 -9.296 1.00 0.00 H new ATOM 0 HB ILE A 8 8.839 11.162 -6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.433 8.583 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.599 8.751 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.581 11.537 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.844 12.095 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.997 10.559 -9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.314 8.751 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.096 10.322 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.911 10.152 -6.378 1.00 0.00 H new ATOM 129 N THR A 9 10.116 11.790 -9.982 1.00 0.00 N ATOM 130 CA THR A 9 10.826 12.958 -10.487 1.00 0.00 C ATOM 131 C THR A 9 9.854 14.052 -10.912 1.00 0.00 C ATOM 132 O THR A 9 8.752 13.767 -11.381 1.00 0.00 O ATOM 133 CB THR A 9 11.727 12.595 -11.682 1.00 0.00 C ATOM 134 OG1 THR A 9 12.327 11.312 -11.472 1.00 0.00 O ATOM 135 CG2 THR A 9 12.812 13.642 -11.881 1.00 0.00 C ATOM 0 H THR A 9 9.380 11.445 -10.598 1.00 0.00 H new ATOM 0 HA THR A 9 11.448 13.326 -9.671 1.00 0.00 H new ATOM 0 HB THR A 9 11.107 12.563 -12.578 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.897 11.088 -12.237 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.435 13.363 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.352 14.611 -12.071 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.428 13.703 -10.984 1.00 0.00 H new ATOM 143 N GLN A 10 10.268 15.304 -10.744 1.00 0.00 N ATOM 144 CA GLN A 10 9.431 16.440 -11.111 1.00 0.00 C ATOM 145 C GLN A 10 10.082 17.259 -12.221 1.00 0.00 C ATOM 146 O GLN A 10 11.303 17.407 -12.263 1.00 0.00 O ATOM 147 CB GLN A 10 9.175 17.327 -9.891 1.00 0.00 C ATOM 148 CG GLN A 10 10.419 18.037 -9.382 1.00 0.00 C ATOM 149 CD GLN A 10 10.498 18.064 -7.869 1.00 0.00 C ATOM 150 OE1 GLN A 10 10.455 19.129 -7.252 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.614 16.889 -7.261 1.00 0.00 N ATOM 0 H GLN A 10 11.177 15.557 -10.357 1.00 0.00 H new ATOM 0 HA GLN A 10 8.480 16.055 -11.478 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.421 18.071 -10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.762 16.716 -9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.304 17.540 -9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.430 19.059 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.646 16.031 -7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.671 16.845 -6.244 1.00 0.00 H new ATOM 160 N ASP A 11 9.258 17.789 -13.119 1.00 0.00 N ATOM 161 CA ASP A 11 9.753 18.593 -14.230 1.00 0.00 C ATOM 162 C ASP A 11 9.024 19.931 -14.299 1.00 0.00 C ATOM 163 O ASP A 11 8.132 20.204 -13.496 1.00 0.00 O ATOM 164 CB ASP A 11 9.585 17.838 -15.549 1.00 0.00 C ATOM 165 CG ASP A 11 9.991 16.381 -15.438 1.00 0.00 C ATOM 166 OD1 ASP A 11 9.195 15.582 -14.901 1.00 0.00 O ATOM 167 OD2 ASP A 11 11.104 16.040 -15.890 1.00 0.00 O ATOM 0 H ASP A 11 8.244 17.676 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 11 10.813 18.785 -14.063 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.545 17.899 -15.869 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.185 18.322 -16.320 1.00 0.00 H new ATOM 172 N GLU A 12 9.410 20.761 -15.263 1.00 0.00 N ATOM 173 CA GLU A 12 8.794 22.071 -15.435 1.00 0.00 C ATOM 174 C GLU A 12 7.664 22.011 -16.459 1.00 0.00 C ATOM 175 O GLU A 12 7.374 22.996 -17.137 1.00 0.00 O ATOM 176 CB GLU A 12 9.840 23.098 -15.873 1.00 0.00 C ATOM 177 CG GLU A 12 10.286 22.935 -17.317 1.00 0.00 C ATOM 178 CD GLU A 12 11.661 23.520 -17.572 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.796 24.761 -17.518 1.00 0.00 O ATOM 180 OE2 GLU A 12 12.601 22.739 -17.827 1.00 0.00 O ATOM 0 H GLU A 12 10.146 20.549 -15.936 1.00 0.00 H new ATOM 0 HA GLU A 12 8.376 22.376 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.432 24.100 -15.739 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.710 23.018 -15.222 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.293 21.876 -17.574 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.562 23.418 -17.974 1.00 0.00 H new ATOM 187 N GLU A 13 7.030 20.847 -16.565 1.00 0.00 N ATOM 188 CA GLU A 13 5.934 20.658 -17.507 1.00 0.00 C ATOM 189 C GLU A 13 5.008 19.536 -17.046 1.00 0.00 C ATOM 190 O GLU A 13 3.785 19.642 -17.151 1.00 0.00 O ATOM 191 CB GLU A 13 6.479 20.343 -18.902 1.00 0.00 C ATOM 192 CG GLU A 13 7.743 19.499 -18.885 1.00 0.00 C ATOM 193 CD GLU A 13 8.079 18.926 -20.248 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.224 19.007 -21.154 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.199 18.396 -20.407 1.00 0.00 O ATOM 0 H GLU A 13 7.257 20.022 -16.010 1.00 0.00 H new ATOM 0 HA GLU A 13 5.362 21.585 -17.549 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.711 19.821 -19.474 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.684 21.278 -19.423 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.577 20.107 -18.535 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.622 18.684 -18.172 1.00 0.00 H new ATOM 202 N PHE A 14 5.599 18.461 -16.535 1.00 0.00 N ATOM 203 CA PHE A 14 4.828 17.318 -16.059 1.00 0.00 C ATOM 204 C PHE A 14 5.619 16.521 -15.026 1.00 0.00 C ATOM 205 O PHE A 14 6.763 16.852 -14.714 1.00 0.00 O ATOM 206 CB PHE A 14 4.440 16.414 -17.230 1.00 0.00 C ATOM 207 CG PHE A 14 5.616 15.766 -17.902 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.374 16.464 -18.829 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.964 14.457 -17.608 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.457 15.871 -19.449 1.00 0.00 C ATOM 211 CE2 PHE A 14 7.047 13.858 -18.225 1.00 0.00 C ATOM 212 CZ PHE A 14 7.793 14.566 -19.147 1.00 0.00 C ATOM 0 H PHE A 14 6.609 18.357 -16.440 1.00 0.00 H new ATOM 0 HA PHE A 14 3.922 17.695 -15.585 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.764 15.638 -16.871 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.890 17.001 -17.965 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.115 17.484 -19.070 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.383 13.899 -16.889 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.040 16.427 -20.168 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.309 12.838 -17.986 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.638 14.100 -19.631 1.00 0.00 H new ATOM 222 N ILE A 15 5.001 15.469 -14.500 1.00 0.00 N ATOM 223 CA ILE A 15 5.648 14.623 -13.504 1.00 0.00 C ATOM 224 C ILE A 15 6.061 13.284 -14.104 1.00 0.00 C ATOM 225 O ILE A 15 5.345 12.712 -14.926 1.00 0.00 O ATOM 226 CB ILE A 15 4.725 14.369 -12.297 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.796 15.542 -11.317 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.105 13.069 -11.604 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.108 15.626 -10.569 1.00 0.00 C ATOM 0 H ILE A 15 4.054 15.182 -14.747 1.00 0.00 H new ATOM 0 HA ILE A 15 6.537 15.156 -13.166 1.00 0.00 H new ATOM 0 HB ILE A 15 3.699 14.281 -12.655 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.639 16.472 -11.864 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.982 15.454 -10.598 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.444 12.903 -10.753 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.008 12.241 -12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.136 13.130 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.087 16.481 -9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.258 14.712 -9.994 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.925 15.746 -11.280 1.00 0.00 H new ATOM 241 N PHE A 16 7.221 12.788 -13.687 1.00 0.00 N ATOM 242 CA PHE A 16 7.731 11.514 -14.182 1.00 0.00 C ATOM 243 C PHE A 16 7.978 10.543 -13.032 1.00 0.00 C ATOM 244 O PHE A 16 8.937 10.692 -12.274 1.00 0.00 O ATOM 245 CB PHE A 16 9.025 11.730 -14.970 1.00 0.00 C ATOM 246 CG PHE A 16 9.743 10.454 -15.304 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.425 9.744 -16.450 1.00 0.00 C ATOM 248 CD2 PHE A 16 10.737 9.965 -14.472 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.084 8.569 -16.759 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.400 8.791 -14.776 1.00 0.00 C ATOM 251 CZ PHE A 16 11.074 8.093 -15.922 1.00 0.00 C ATOM 0 H PHE A 16 7.826 13.249 -13.007 1.00 0.00 H new ATOM 0 HA PHE A 16 6.979 11.082 -14.843 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.794 12.260 -15.894 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.690 12.371 -14.392 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.653 10.113 -17.110 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.997 10.508 -13.575 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.825 8.024 -17.654 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.172 8.420 -14.118 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.592 7.177 -16.163 1.00 0.00 H new ATOM 261 N LEU A 17 7.106 9.548 -12.908 1.00 0.00 N ATOM 262 CA LEU A 17 7.229 8.551 -11.850 1.00 0.00 C ATOM 263 C LEU A 17 7.909 7.288 -12.368 1.00 0.00 C ATOM 264 O LEU A 17 7.467 6.689 -13.349 1.00 0.00 O ATOM 265 CB LEU A 17 5.849 8.206 -11.286 1.00 0.00 C ATOM 266 CG LEU A 17 5.720 6.835 -10.622 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.576 6.766 -9.366 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.264 6.537 -10.294 1.00 0.00 C ATOM 0 H LEU A 17 6.307 9.410 -13.527 1.00 0.00 H new ATOM 0 HA LEU A 17 7.845 8.973 -11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.576 8.968 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.122 8.265 -12.096 1.00 0.00 H new ATOM 0 HG LEU A 17 6.077 6.079 -11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.471 5.783 -8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.621 6.934 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.251 7.531 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.191 5.557 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.881 7.297 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.676 6.543 -11.212 1.00 0.00 H new ATOM 280 N LYS A 18 8.986 6.887 -11.702 1.00 0.00 N ATOM 281 CA LYS A 18 9.727 5.693 -12.092 1.00 0.00 C ATOM 282 C LYS A 18 9.528 4.573 -11.076 1.00 0.00 C ATOM 283 O LYS A 18 9.611 4.797 -9.868 1.00 0.00 O ATOM 284 CB LYS A 18 11.217 6.014 -12.227 1.00 0.00 C ATOM 285 CG LYS A 18 12.119 4.805 -12.045 1.00 0.00 C ATOM 286 CD LYS A 18 13.414 4.953 -12.825 1.00 0.00 C ATOM 287 CE LYS A 18 14.216 6.156 -12.351 1.00 0.00 C ATOM 288 NZ LYS A 18 15.534 5.756 -11.784 1.00 0.00 N ATOM 0 H LYS A 18 9.366 7.372 -10.889 1.00 0.00 H new ATOM 0 HA LYS A 18 9.345 5.357 -13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.399 6.448 -13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.485 6.771 -11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.344 4.674 -10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.596 3.907 -12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.012 4.049 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.191 5.059 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.372 6.840 -13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.646 6.698 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.671 6.220 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.559 4.724 -11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.293 6.044 -12.434 1.00 0.00 H new ATOM 302 N ILE A 19 9.266 3.369 -11.573 1.00 0.00 N ATOM 303 CA ILE A 19 9.057 2.215 -10.707 1.00 0.00 C ATOM 304 C ILE A 19 9.914 1.034 -11.150 1.00 0.00 C ATOM 305 O ILE A 19 9.958 0.694 -12.333 1.00 0.00 O ATOM 306 CB ILE A 19 7.579 1.784 -10.690 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.671 3.005 -10.530 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.332 0.784 -9.571 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.953 3.395 -11.803 1.00 0.00 C ATOM 0 H ILE A 19 9.193 3.167 -12.570 1.00 0.00 H new ATOM 0 HA ILE A 19 9.350 2.517 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 19 7.345 1.303 -11.640 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.933 2.800 -9.755 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.268 3.849 -10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.283 0.489 -9.572 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.957 -0.096 -9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.579 1.241 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.328 4.268 -11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.685 3.632 -12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.329 2.566 -12.137 1.00 0.00 H new ATOM 321 N PHE A 20 10.593 0.411 -10.193 1.00 0.00 N ATOM 322 CA PHE A 20 11.448 -0.734 -10.484 1.00 0.00 C ATOM 323 C PHE A 20 10.715 -2.044 -10.213 1.00 0.00 C ATOM 324 O PHE A 20 10.058 -2.198 -9.183 1.00 0.00 O ATOM 325 CB PHE A 20 12.726 -0.669 -9.645 1.00 0.00 C ATOM 326 CG PHE A 20 13.442 0.648 -9.743 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.134 0.990 -10.894 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.422 1.543 -8.686 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.794 2.201 -10.987 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.080 2.755 -8.774 1.00 0.00 C ATOM 331 CZ PHE A 20 14.766 3.085 -9.926 1.00 0.00 C ATOM 0 H PHE A 20 10.568 0.680 -9.209 1.00 0.00 H new ATOM 0 HA PHE A 20 11.712 -0.698 -11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.476 -0.861 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.400 -1.464 -9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.158 0.303 -11.727 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.886 1.291 -7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.331 2.456 -11.889 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.058 3.444 -7.942 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.280 4.032 -9.997 1.00 0.00 H new ATOM 341 N ILE A 21 10.831 -2.984 -11.145 1.00 0.00 N ATOM 342 CA ILE A 21 10.179 -4.281 -11.007 1.00 0.00 C ATOM 343 C ILE A 21 10.957 -5.368 -11.741 1.00 0.00 C ATOM 344 O ILE A 21 11.591 -5.109 -12.764 1.00 0.00 O ATOM 345 CB ILE A 21 8.737 -4.246 -11.544 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.719 -3.735 -12.986 1.00 0.00 C ATOM 347 CG2 ILE A 21 7.862 -3.373 -10.657 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.413 -3.996 -13.704 1.00 0.00 C ATOM 0 H ILE A 21 11.370 -2.872 -12.004 1.00 0.00 H new ATOM 0 HA ILE A 21 10.155 -4.511 -9.942 1.00 0.00 H new ATOM 0 HB ILE A 21 8.336 -5.260 -11.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.916 -2.663 -12.985 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.530 -4.208 -13.540 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.845 -3.358 -11.050 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.854 -3.776 -9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.259 -2.358 -10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.473 -3.607 -14.720 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.224 -5.069 -13.737 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.600 -3.500 -13.173 1.00 0.00 H new ATOM 492 N LEU A 31 -2.669 -3.399 -16.790 1.00 0.00 N ATOM 493 CA LEU A 31 -2.031 -2.112 -17.050 1.00 0.00 C ATOM 494 C LEU A 31 -3.075 -1.029 -17.306 1.00 0.00 C ATOM 495 O LEU A 31 -3.737 -1.025 -18.342 1.00 0.00 O ATOM 496 CB LEU A 31 -1.088 -2.221 -18.250 1.00 0.00 C ATOM 497 CG LEU A 31 0.340 -2.672 -17.942 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.331 -3.950 -17.117 1.00 0.00 C ATOM 499 CD2 LEU A 31 1.126 -2.871 -19.230 1.00 0.00 C ATOM 0 HA LEU A 31 -1.455 -1.835 -16.167 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.522 -2.919 -18.966 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.043 -1.249 -18.741 1.00 0.00 H new ATOM 0 HG LEU A 31 0.829 -1.892 -17.359 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.356 -4.255 -16.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.194 -3.773 -16.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.176 -4.739 -17.673 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.140 -3.192 -18.992 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.639 -3.632 -19.840 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.163 -1.932 -19.782 1.00 0.00 H new ATOM 511 N GLU A 32 -3.212 -0.111 -16.354 1.00 0.00 N ATOM 512 CA GLU A 32 -4.174 0.978 -16.478 1.00 0.00 C ATOM 513 C GLU A 32 -4.046 1.952 -15.310 1.00 0.00 C ATOM 514 O GLU A 32 -4.944 2.054 -14.473 1.00 0.00 O ATOM 515 CB GLU A 32 -5.599 0.425 -16.541 1.00 0.00 C ATOM 516 CG GLU A 32 -6.653 1.487 -16.805 1.00 0.00 C ATOM 517 CD GLU A 32 -6.769 1.842 -18.274 1.00 0.00 C ATOM 518 OE1 GLU A 32 -6.606 0.937 -19.119 1.00 0.00 O ATOM 519 OE2 GLU A 32 -7.023 3.026 -18.580 1.00 0.00 O ATOM 0 H GLU A 32 -2.670 -0.100 -15.490 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.959 1.515 -17.402 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.652 -0.330 -17.325 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.827 -0.076 -15.600 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.618 1.133 -16.443 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.409 2.384 -16.236 1.00 0.00 H new ATOM 526 N ILE A 33 -2.926 2.664 -15.261 1.00 0.00 N ATOM 527 CA ILE A 33 -2.680 3.629 -14.197 1.00 0.00 C ATOM 528 C ILE A 33 -3.578 4.853 -14.347 1.00 0.00 C ATOM 529 O ILE A 33 -3.695 5.419 -15.434 1.00 0.00 O ATOM 530 CB ILE A 33 -1.209 4.085 -14.178 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.284 2.885 -13.966 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.992 5.127 -13.091 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.186 3.232 -14.057 1.00 0.00 C ATOM 0 H ILE A 33 -2.174 2.591 -15.946 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.908 3.126 -13.257 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.971 4.538 -15.141 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.486 2.449 -12.988 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.516 2.122 -14.709 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.052 5.440 -13.090 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.629 5.991 -13.282 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.243 4.699 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.782 2.334 -13.897 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.403 3.640 -15.044 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.433 3.972 -13.296 1.00 0.00 H new ATOM 545 N ILE A 34 -4.208 5.256 -13.249 1.00 0.00 N ATOM 546 CA ILE A 34 -5.093 6.414 -13.258 1.00 0.00 C ATOM 547 C ILE A 34 -4.686 7.425 -12.191 1.00 0.00 C ATOM 548 O ILE A 34 -4.054 7.071 -11.195 1.00 0.00 O ATOM 549 CB ILE A 34 -6.560 6.004 -13.029 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.754 5.503 -11.596 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.974 4.936 -14.030 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.491 6.482 -10.709 1.00 0.00 C ATOM 0 H ILE A 34 -4.122 4.798 -12.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.003 6.873 -14.243 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.194 6.878 -13.177 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.303 4.562 -11.620 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.778 5.292 -11.158 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.013 4.657 -13.855 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.868 5.326 -15.042 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.338 4.059 -13.911 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.593 6.061 -9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.932 7.416 -10.655 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.480 6.675 -11.124 1.00 0.00 H new ATOM 564 N ILE A 35 -5.055 8.683 -12.405 1.00 0.00 N ATOM 565 CA ILE A 35 -4.731 9.745 -11.460 1.00 0.00 C ATOM 566 C ILE A 35 -5.993 10.323 -10.829 1.00 0.00 C ATOM 567 O ILE A 35 -6.956 10.642 -11.526 1.00 0.00 O ATOM 568 CB ILE A 35 -3.942 10.881 -12.137 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.685 10.327 -12.810 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.578 11.952 -11.120 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.701 10.453 -14.317 1.00 0.00 C ATOM 0 H ILE A 35 -5.578 8.992 -13.224 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.111 9.297 -10.683 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.571 11.335 -12.903 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.813 10.851 -12.419 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.573 9.276 -12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.021 12.748 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.488 12.363 -10.683 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.964 11.513 -10.333 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.779 10.040 -14.726 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.554 9.906 -14.719 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.782 11.504 -14.593 1.00 0.00 H new ATOM 583 N GLN A 36 -5.980 10.457 -9.507 1.00 0.00 N ATOM 584 CA GLN A 36 -7.124 10.998 -8.782 1.00 0.00 C ATOM 585 C GLN A 36 -7.194 12.514 -8.932 1.00 0.00 C ATOM 586 O GLN A 36 -6.443 13.106 -9.706 1.00 0.00 O ATOM 587 CB GLN A 36 -7.041 10.623 -7.302 1.00 0.00 C ATOM 588 CG GLN A 36 -8.167 9.713 -6.840 1.00 0.00 C ATOM 589 CD GLN A 36 -9.535 10.225 -7.248 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.865 11.391 -7.028 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.339 9.354 -7.846 1.00 0.00 N ATOM 0 H GLN A 36 -5.190 10.198 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.030 10.566 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.087 10.131 -7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.053 11.534 -6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.017 8.716 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.128 9.615 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.024 8.397 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.271 9.641 -8.143 1.00 0.00 H new ATOM 600 N GLU A 37 -8.103 13.136 -8.187 1.00 0.00 N ATOM 601 CA GLU A 37 -8.272 14.583 -8.239 1.00 0.00 C ATOM 602 C GLU A 37 -6.933 15.294 -8.066 1.00 0.00 C ATOM 603 O GLU A 37 -6.677 16.320 -8.694 1.00 0.00 O ATOM 604 CB GLU A 37 -9.250 15.044 -7.156 1.00 0.00 C ATOM 605 CG GLU A 37 -9.041 14.359 -5.816 1.00 0.00 C ATOM 606 CD GLU A 37 -9.328 15.275 -4.642 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.930 16.348 -4.860 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.952 14.920 -3.506 1.00 0.00 O ATOM 0 H GLU A 37 -8.733 12.660 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.677 14.841 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.151 16.121 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.269 14.857 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.687 13.483 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.013 14.002 -5.751 1.00 0.00 H new ATOM 615 N ASN A 38 -6.082 14.740 -7.208 1.00 0.00 N ATOM 616 CA ASN A 38 -4.769 15.321 -6.950 1.00 0.00 C ATOM 617 C ASN A 38 -3.699 14.236 -6.880 1.00 0.00 C ATOM 618 O ASN A 38 -2.667 14.323 -7.545 1.00 0.00 O ATOM 619 CB ASN A 38 -4.789 16.119 -5.645 1.00 0.00 C ATOM 620 CG ASN A 38 -5.286 15.297 -4.472 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.491 15.114 -4.294 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.358 14.797 -3.664 1.00 0.00 N ATOM 0 H ASN A 38 -6.278 13.890 -6.680 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.527 15.992 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.785 16.484 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.426 16.995 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.632 14.236 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.371 14.974 -3.850 1.00 0.00 H new ATOM 629 N MET A 39 -3.953 13.214 -6.069 1.00 0.00 N ATOM 630 CA MET A 39 -3.012 12.110 -5.913 1.00 0.00 C ATOM 631 C MET A 39 -3.051 11.187 -7.126 1.00 0.00 C ATOM 632 O MET A 39 -3.911 11.326 -7.996 1.00 0.00 O ATOM 633 CB MET A 39 -3.328 11.318 -4.643 1.00 0.00 C ATOM 634 CG MET A 39 -4.158 10.070 -4.897 1.00 0.00 C ATOM 635 SD MET A 39 -4.871 9.391 -3.386 1.00 0.00 S ATOM 636 CE MET A 39 -3.408 9.223 -2.367 1.00 0.00 C ATOM 0 H MET A 39 -4.802 13.127 -5.510 1.00 0.00 H new ATOM 0 HA MET A 39 -2.009 12.529 -5.830 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.393 11.031 -4.161 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.861 11.963 -3.945 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.959 10.307 -5.597 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.533 9.313 -5.371 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.579 8.459 -1.609 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.562 8.933 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.192 10.174 -1.881 1.00 0.00 H new ATOM 646 N ILE A 40 -2.115 10.245 -7.178 1.00 0.00 N ATOM 647 CA ILE A 40 -2.044 9.299 -8.284 1.00 0.00 C ATOM 648 C ILE A 40 -2.236 7.867 -7.797 1.00 0.00 C ATOM 649 O ILE A 40 -1.706 7.479 -6.755 1.00 0.00 O ATOM 650 CB ILE A 40 -0.698 9.400 -9.026 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.538 10.787 -9.652 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.597 8.318 -10.091 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.816 11.012 -10.287 1.00 0.00 C ATOM 0 H ILE A 40 -1.395 10.117 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.849 9.558 -8.971 1.00 0.00 H new ATOM 0 HB ILE A 40 0.108 9.251 -8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.312 10.927 -10.407 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.700 11.544 -8.885 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.360 8.403 -10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.670 7.337 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.408 8.438 -10.809 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.857 12.016 -10.710 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.594 10.904 -9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.974 10.278 -11.078 1.00 0.00 H new ATOM 665 N ILE A 41 -2.997 7.087 -8.556 1.00 0.00 N ATOM 666 CA ILE A 41 -3.257 5.697 -8.203 1.00 0.00 C ATOM 667 C ILE A 41 -2.510 4.745 -9.131 1.00 0.00 C ATOM 668 O ILE A 41 -2.714 4.756 -10.345 1.00 0.00 O ATOM 669 CB ILE A 41 -4.762 5.374 -8.258 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.534 6.274 -7.291 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.001 3.907 -7.931 1.00 0.00 C ATOM 672 CD1 ILE A 41 -5.059 6.171 -5.859 1.00 0.00 C ATOM 0 H ILE A 41 -3.445 7.394 -9.420 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.901 5.559 -7.182 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.123 5.564 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.445 7.309 -7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.592 6.016 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.069 3.694 -7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.477 3.283 -8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.628 3.692 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.651 6.836 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.174 5.145 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.009 6.458 -5.802 1.00 0.00 H new ATOM 684 N PHE A 42 -1.645 3.919 -8.551 1.00 0.00 N ATOM 685 CA PHE A 42 -0.867 2.959 -9.325 1.00 0.00 C ATOM 686 C PHE A 42 -1.503 1.573 -9.269 1.00 0.00 C ATOM 687 O PHE A 42 -1.417 0.879 -8.255 1.00 0.00 O ATOM 688 CB PHE A 42 0.570 2.895 -8.804 1.00 0.00 C ATOM 689 CG PHE A 42 1.389 1.806 -9.435 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.006 2.005 -10.659 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.542 0.582 -8.803 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.759 1.004 -11.242 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.294 -0.423 -9.381 1.00 0.00 C ATOM 694 CZ PHE A 42 2.905 -0.211 -10.602 1.00 0.00 C ATOM 0 H PHE A 42 -1.465 3.895 -7.547 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.854 3.292 -10.363 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.056 3.854 -8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.550 2.745 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.897 2.954 -11.164 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.068 0.412 -7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.233 1.172 -12.198 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.404 -1.373 -8.879 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.495 -0.994 -11.055 1.00 0.00 H new ATOM 704 N HIS A 43 -2.141 1.176 -10.365 1.00 0.00 N ATOM 705 CA HIS A 43 -2.791 -0.128 -10.441 1.00 0.00 C ATOM 706 C HIS A 43 -1.946 -1.110 -11.246 1.00 0.00 C ATOM 707 O HIS A 43 -2.125 -2.325 -11.147 1.00 0.00 O ATOM 708 CB HIS A 43 -4.178 0.007 -11.071 1.00 0.00 C ATOM 709 CG HIS A 43 -5.212 -0.870 -10.436 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.563 -0.743 -10.685 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.088 -1.893 -9.558 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.224 -1.648 -9.987 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.352 -2.359 -9.294 1.00 0.00 N ATOM 0 H HIS A 43 -2.222 1.738 -11.212 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.897 -0.514 -9.427 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.501 1.046 -11.000 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.111 -0.234 -12.132 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.166 -2.272 -9.142 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.295 -1.784 -9.983 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.581 -3.129 -8.665 1.00 0.00 H new ATOM 721 N LEU A 44 -1.026 -0.578 -12.042 1.00 0.00 N ATOM 722 CA LEU A 44 -0.154 -1.408 -12.865 1.00 0.00 C ATOM 723 C LEU A 44 0.513 -2.495 -12.028 1.00 0.00 C ATOM 724 O LEU A 44 0.678 -2.346 -10.817 1.00 0.00 O ATOM 725 CB LEU A 44 0.912 -0.545 -13.544 1.00 0.00 C ATOM 726 CG LEU A 44 1.209 -0.873 -15.007 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.542 0.393 -15.781 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.349 -1.877 -15.108 1.00 0.00 C ATOM 0 H LEU A 44 -0.864 0.425 -12.135 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.766 -1.888 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.600 0.498 -13.482 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.839 -0.635 -12.977 1.00 0.00 H new ATOM 0 HG LEU A 44 0.318 -1.320 -15.447 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.751 0.140 -16.820 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.696 1.079 -15.737 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.418 0.869 -15.341 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.547 -2.099 -16.157 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.245 -1.457 -14.651 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.073 -2.795 -14.589 1.00 0.00 H new ATOM 740 N SER A 45 0.895 -3.587 -12.681 1.00 0.00 N ATOM 741 CA SER A 45 1.542 -4.700 -11.997 1.00 0.00 C ATOM 742 C SER A 45 0.603 -5.327 -10.971 1.00 0.00 C ATOM 743 O SER A 45 -0.433 -4.765 -10.615 1.00 0.00 O ATOM 744 CB SER A 45 2.825 -4.227 -11.309 1.00 0.00 C ATOM 745 OG SER A 45 2.773 -4.467 -9.914 1.00 0.00 O ATOM 0 H SER A 45 0.768 -3.725 -13.684 1.00 0.00 H new ATOM 0 HA SER A 45 1.794 -5.455 -12.742 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.683 -4.744 -11.738 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.969 -3.162 -11.493 1.00 0.00 H new ATOM 0 HG SER A 45 3.616 -4.871 -9.620 1.00 0.00 H new ATOM 751 N PRO A 46 0.973 -6.521 -10.483 1.00 0.00 N ATOM 752 CA PRO A 46 0.178 -7.251 -9.491 1.00 0.00 C ATOM 753 C PRO A 46 0.197 -6.577 -8.123 1.00 0.00 C ATOM 754 O PRO A 46 -0.494 -7.007 -7.199 1.00 0.00 O ATOM 755 CB PRO A 46 0.865 -8.617 -9.423 1.00 0.00 C ATOM 756 CG PRO A 46 2.269 -8.358 -9.849 1.00 0.00 C ATOM 757 CD PRO A 46 2.195 -7.249 -10.862 1.00 0.00 C ATOM 0 HA PRO A 46 -0.875 -7.301 -9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.827 -9.029 -8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.379 -9.338 -10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.888 -8.070 -8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.717 -9.253 -10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.075 -6.607 -10.820 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.132 -7.637 -11.879 1.00 0.00 H new ATOM 765 N TYR A 47 0.990 -5.518 -8.002 1.00 0.00 N ATOM 766 CA TYR A 47 1.100 -4.786 -6.746 1.00 0.00 C ATOM 767 C TYR A 47 0.482 -3.396 -6.870 1.00 0.00 C ATOM 768 O TYR A 47 0.798 -2.644 -7.791 1.00 0.00 O ATOM 769 CB TYR A 47 2.566 -4.668 -6.325 1.00 0.00 C ATOM 770 CG TYR A 47 3.336 -5.964 -6.448 1.00 0.00 C ATOM 771 CD1 TYR A 47 2.818 -7.153 -5.950 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.583 -5.998 -7.060 1.00 0.00 C ATOM 773 CE1 TYR A 47 3.518 -8.338 -6.059 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.290 -7.179 -7.174 1.00 0.00 C ATOM 775 CZ TYR A 47 4.753 -8.347 -6.672 1.00 0.00 C ATOM 776 OH TYR A 47 5.455 -9.525 -6.783 1.00 0.00 O ATOM 0 H TYR A 47 1.566 -5.148 -8.758 1.00 0.00 H new ATOM 0 HA TYR A 47 0.554 -5.341 -5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.051 -3.907 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.612 -4.324 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.851 -7.150 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.007 -5.086 -7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.100 -9.253 -5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.258 -7.188 -7.653 1.00 0.00 H new ATOM 0 HH TYR A 47 6.305 -9.357 -7.241 1.00 0.00 H new ATOM 786 N TYR A 48 -0.401 -3.063 -5.935 1.00 0.00 N ATOM 787 CA TYR A 48 -1.066 -1.766 -5.939 1.00 0.00 C ATOM 788 C TYR A 48 -0.307 -0.762 -5.076 1.00 0.00 C ATOM 789 O TYR A 48 0.051 -1.053 -3.934 1.00 0.00 O ATOM 790 CB TYR A 48 -2.504 -1.904 -5.435 1.00 0.00 C ATOM 791 CG TYR A 48 -3.248 -0.590 -5.361 1.00 0.00 C ATOM 792 CD1 TYR A 48 -3.117 0.244 -4.258 1.00 0.00 C ATOM 793 CD2 TYR A 48 -4.083 -0.183 -6.395 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.796 1.445 -4.186 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.765 1.017 -6.332 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.619 1.827 -5.225 1.00 0.00 C ATOM 797 OH TYR A 48 -5.296 3.023 -5.158 1.00 0.00 O ATOM 0 H TYR A 48 -0.673 -3.674 -5.165 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.082 -1.398 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.047 -2.583 -6.093 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.491 -2.361 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.473 -0.051 -3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.201 -0.816 -7.262 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.683 2.081 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.409 1.319 -7.145 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.280 3.357 -4.237 1.00 0.00 H new ATOM 807 N LEU A 49 -0.066 0.421 -5.630 1.00 0.00 N ATOM 808 CA LEU A 49 0.650 1.470 -4.912 1.00 0.00 C ATOM 809 C LEU A 49 -0.121 2.785 -4.959 1.00 0.00 C ATOM 810 O LEU A 49 -0.823 3.071 -5.929 1.00 0.00 O ATOM 811 CB LEU A 49 2.045 1.662 -5.509 1.00 0.00 C ATOM 812 CG LEU A 49 2.932 2.700 -4.820 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.148 2.333 -3.360 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.266 2.826 -5.543 1.00 0.00 C ATOM 0 H LEU A 49 -0.356 0.678 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 49 0.746 1.163 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.562 0.702 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.935 1.945 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 49 2.427 3.665 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.781 3.083 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.186 2.295 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.631 1.358 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.884 3.569 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.777 1.863 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.093 3.136 -6.574 1.00 0.00 H new ATOM 826 N ARG A 50 0.015 3.583 -3.904 1.00 0.00 N ATOM 827 CA ARG A 50 -0.668 4.868 -3.825 1.00 0.00 C ATOM 828 C ARG A 50 0.332 6.004 -3.628 1.00 0.00 C ATOM 829 O ARG A 50 1.195 5.940 -2.752 1.00 0.00 O ATOM 830 CB ARG A 50 -1.681 4.861 -2.679 1.00 0.00 C ATOM 831 CG ARG A 50 -2.886 5.754 -2.927 1.00 0.00 C ATOM 832 CD ARG A 50 -4.162 5.131 -2.382 1.00 0.00 C ATOM 833 NE ARG A 50 -4.355 5.428 -0.965 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.497 5.222 -0.320 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.544 4.720 -0.962 1.00 0.00 N ATOM 836 NH2 ARG A 50 -5.595 5.517 0.970 1.00 0.00 N ATOM 0 H ARG A 50 0.592 3.362 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.195 5.030 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.024 3.840 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.184 5.182 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.724 6.724 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.995 5.932 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.016 5.500 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.127 4.051 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.569 5.815 -0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.473 4.491 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.420 4.563 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.792 5.903 1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.473 5.358 1.464 1.00 0.00 H new ATOM 850 N LEU A 51 0.210 7.042 -4.448 1.00 0.00 N ATOM 851 CA LEU A 51 1.103 8.192 -4.364 1.00 0.00 C ATOM 852 C LEU A 51 0.331 9.455 -3.995 1.00 0.00 C ATOM 853 O LEU A 51 -0.509 9.927 -4.762 1.00 0.00 O ATOM 854 CB LEU A 51 1.830 8.396 -5.694 1.00 0.00 C ATOM 855 CG LEU A 51 2.808 7.293 -6.100 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.501 7.648 -7.406 1.00 0.00 C ATOM 857 CD2 LEU A 51 3.831 7.056 -4.999 1.00 0.00 C ATOM 0 H LEU A 51 -0.499 7.111 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 51 1.837 7.995 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.083 8.500 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.376 9.338 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 51 2.245 6.372 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.193 6.851 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.756 7.767 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.051 8.581 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.519 6.268 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.389 7.974 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.319 6.756 -4.085 1.00 0.00 H new ATOM 869 N ARG A 52 0.622 9.998 -2.818 1.00 0.00 N ATOM 870 CA ARG A 52 -0.044 11.206 -2.348 1.00 0.00 C ATOM 871 C ARG A 52 0.919 12.390 -2.341 1.00 0.00 C ATOM 872 O ARG A 52 1.774 12.504 -1.462 1.00 0.00 O ATOM 873 CB ARG A 52 -0.611 10.989 -0.944 1.00 0.00 C ATOM 874 CG ARG A 52 -1.701 11.979 -0.567 1.00 0.00 C ATOM 875 CD ARG A 52 -1.117 13.325 -0.167 1.00 0.00 C ATOM 876 NE ARG A 52 -1.935 14.000 0.837 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.050 14.664 0.551 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.477 14.740 -0.702 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.740 15.252 1.519 1.00 0.00 N ATOM 0 H ARG A 52 1.315 9.620 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.863 11.429 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.011 9.977 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.200 11.061 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.381 12.112 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.290 11.577 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.109 13.181 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.030 13.959 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.634 13.960 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.949 14.288 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.333 15.250 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.415 15.195 2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.596 15.761 1.298 1.00 0.00 H new ATOM 893 N PHE A 53 0.775 13.269 -3.327 1.00 0.00 N ATOM 894 CA PHE A 53 1.632 14.443 -3.437 1.00 0.00 C ATOM 895 C PHE A 53 0.969 15.662 -2.803 1.00 0.00 C ATOM 896 O PHE A 53 -0.255 15.748 -2.694 1.00 0.00 O ATOM 897 CB PHE A 53 1.956 14.730 -4.904 1.00 0.00 C ATOM 898 CG PHE A 53 2.615 13.579 -5.609 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.372 12.659 -4.902 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.477 13.418 -6.978 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.980 11.600 -5.549 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.082 12.360 -7.630 1.00 0.00 C ATOM 903 CZ PHE A 53 3.834 11.449 -6.914 1.00 0.00 C ATOM 0 H PHE A 53 0.072 13.190 -4.062 1.00 0.00 H new ATOM 0 HA PHE A 53 2.559 14.236 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.035 14.987 -5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.608 15.601 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.488 12.771 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.890 14.127 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.569 10.890 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.967 12.246 -8.698 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.307 10.621 -7.420 1.00 0.00 H new ATOM 913 N PRO A 54 1.794 16.628 -2.373 1.00 0.00 N ATOM 914 CA PRO A 54 1.311 17.860 -1.742 1.00 0.00 C ATOM 915 C PRO A 54 0.596 18.775 -2.730 1.00 0.00 C ATOM 916 O PRO A 54 0.000 19.781 -2.341 1.00 0.00 O ATOM 917 CB PRO A 54 2.592 18.523 -1.230 1.00 0.00 C ATOM 918 CG PRO A 54 3.670 17.995 -2.112 1.00 0.00 C ATOM 919 CD PRO A 54 3.263 16.592 -2.470 1.00 0.00 C ATOM 0 HA PRO A 54 0.578 17.657 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.527 19.609 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.777 18.273 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.779 18.610 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.632 18.003 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.593 16.321 -3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.693 15.862 -1.785 1.00 0.00 H new ATOM 927 N HIS A 55 0.658 18.421 -4.009 1.00 0.00 N ATOM 928 CA HIS A 55 0.015 19.211 -5.054 1.00 0.00 C ATOM 929 C HIS A 55 -1.141 18.440 -5.683 1.00 0.00 C ATOM 930 O HIS A 55 -1.505 17.360 -5.219 1.00 0.00 O ATOM 931 CB HIS A 55 1.031 19.598 -6.129 1.00 0.00 C ATOM 932 CG HIS A 55 2.131 20.479 -5.623 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.062 21.856 -5.642 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.333 20.172 -5.081 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.173 22.358 -5.135 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.961 21.357 -4.786 1.00 0.00 N ATOM 0 H HIS A 55 1.147 17.592 -4.348 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.382 20.118 -4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.467 18.691 -6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.512 20.108 -6.941 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.725 19.180 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.399 23.408 -5.024 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.886 21.449 -4.366 1.00 0.00 H new ATOM 944 N GLU A 56 -1.715 19.003 -6.742 1.00 0.00 N ATOM 945 CA GLU A 56 -2.831 18.368 -7.434 1.00 0.00 C ATOM 946 C GLU A 56 -2.519 18.186 -8.916 1.00 0.00 C ATOM 947 O GLU A 56 -2.198 19.147 -9.618 1.00 0.00 O ATOM 948 CB GLU A 56 -4.103 19.201 -7.267 1.00 0.00 C ATOM 949 CG GLU A 56 -3.871 20.698 -7.389 1.00 0.00 C ATOM 950 CD GLU A 56 -3.411 21.325 -6.088 1.00 0.00 C ATOM 951 OE1 GLU A 56 -3.867 20.873 -5.017 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.594 22.269 -6.141 1.00 0.00 O ATOM 0 H GLU A 56 -1.426 19.897 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.989 17.385 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.830 18.892 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.541 18.988 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.125 20.884 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.793 21.179 -7.714 1.00 0.00 H new ATOM 959 N LEU A 57 -2.616 16.948 -9.387 1.00 0.00 N ATOM 960 CA LEU A 57 -2.344 16.638 -10.787 1.00 0.00 C ATOM 961 C LEU A 57 -3.638 16.354 -11.543 1.00 0.00 C ATOM 962 O LEU A 57 -4.713 16.275 -10.946 1.00 0.00 O ATOM 963 CB LEU A 57 -1.405 15.435 -10.890 1.00 0.00 C ATOM 964 CG LEU A 57 -0.149 15.488 -10.020 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.272 14.086 -9.604 1.00 0.00 C ATOM 966 CD2 LEU A 57 0.982 16.189 -10.757 1.00 0.00 C ATOM 0 H LEU A 57 -2.881 16.142 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.864 17.506 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.966 14.538 -10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.098 15.327 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.378 16.059 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.168 14.144 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.532 13.618 -9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.482 13.491 -10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.868 16.217 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.210 15.646 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.680 17.207 -11.004 1.00 0.00 H new ATOM 978 N ILE A 58 -3.527 16.199 -12.858 1.00 0.00 N ATOM 979 CA ILE A 58 -4.688 15.919 -13.694 1.00 0.00 C ATOM 980 C ILE A 58 -4.382 14.825 -14.711 1.00 0.00 C ATOM 981 O ILE A 58 -3.269 14.738 -15.229 1.00 0.00 O ATOM 982 CB ILE A 58 -5.161 17.181 -14.441 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.322 16.841 -15.377 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.009 17.798 -15.219 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.922 18.050 -16.059 1.00 0.00 C ATOM 0 H ILE A 58 -2.646 16.263 -13.367 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.482 15.581 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.511 17.909 -13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.973 16.141 -16.137 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.100 16.332 -14.808 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.358 18.689 -15.741 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.210 18.072 -14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.632 17.077 -15.944 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.739 17.734 -16.707 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.302 18.741 -15.307 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.158 18.548 -16.656 1.00 0.00 H new ATOM 997 N ASP A 59 -5.378 13.993 -14.994 1.00 0.00 N ATOM 998 CA ASP A 59 -5.217 12.905 -15.952 1.00 0.00 C ATOM 999 C ASP A 59 -5.818 13.279 -17.304 1.00 0.00 C ATOM 1000 O ASP A 59 -7.038 13.298 -17.468 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.875 11.630 -15.423 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.242 10.665 -16.533 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.325 10.036 -17.101 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.448 10.537 -16.832 1.00 0.00 O ATOM 0 H ASP A 59 -6.306 14.051 -14.574 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.150 12.726 -16.085 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.197 11.137 -14.726 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.772 11.893 -14.863 1.00 0.00 H new ATOM 1009 N ASP A 60 -4.953 13.575 -18.268 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.398 13.948 -19.606 1.00 0.00 C ATOM 1011 C ASP A 60 -4.965 12.907 -20.632 1.00 0.00 C ATOM 1012 O ASP A 60 -4.509 11.821 -20.274 1.00 0.00 O ATOM 1013 CB ASP A 60 -4.842 15.321 -19.987 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.879 16.199 -20.659 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -6.715 16.786 -19.941 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.853 16.301 -21.903 1.00 0.00 O ATOM 0 H ASP A 60 -3.940 13.564 -18.148 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.487 13.995 -19.601 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.472 15.821 -19.092 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.991 15.192 -20.656 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.111 13.245 -21.910 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.736 12.338 -22.988 1.00 0.00 C ATOM 1023 C GLU A 61 -3.222 12.156 -23.043 1.00 0.00 C ATOM 1024 O GLU A 61 -2.726 11.136 -23.524 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.247 12.866 -24.330 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.476 14.071 -24.843 1.00 0.00 C ATOM 1027 CD GLU A 61 -3.321 13.683 -25.746 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -3.045 12.471 -25.870 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -2.693 14.592 -26.328 1.00 0.00 O ATOM 0 H GLU A 61 -5.486 14.140 -22.223 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.194 11.369 -22.789 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.191 12.068 -25.070 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.299 13.134 -24.229 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.155 14.727 -25.389 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.094 14.641 -23.996 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.493 13.151 -22.550 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.036 13.103 -22.545 1.00 0.00 C ATOM 1038 C ARG A 62 -0.528 12.141 -21.474 1.00 0.00 C ATOM 1039 O ARG A 62 0.544 11.552 -21.613 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.459 14.499 -22.307 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.084 15.224 -21.126 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.796 16.494 -21.566 1.00 0.00 C ATOM 1043 NE ARG A 62 -0.932 17.667 -21.472 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.265 18.173 -22.503 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.364 17.612 -23.701 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.502 19.243 -22.338 1.00 0.00 N ATOM 0 H ARG A 62 -2.888 14.001 -22.148 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.706 12.743 -23.519 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.615 14.416 -22.144 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.599 15.099 -23.206 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.792 14.563 -20.625 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.311 15.472 -20.399 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.140 16.379 -22.594 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.681 16.646 -20.948 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.835 18.123 -20.565 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.953 16.790 -23.832 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.149 18.003 -24.491 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.580 19.678 -21.419 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.014 19.631 -23.131 1.00 0.00 H new ATOM 1060 N SER A 63 -1.305 11.989 -20.406 1.00 0.00 N ATOM 1061 CA SER A 63 -0.931 11.103 -19.310 1.00 0.00 C ATOM 1062 C SER A 63 -0.927 9.647 -19.766 1.00 0.00 C ATOM 1063 O SER A 63 -1.869 9.181 -20.407 1.00 0.00 O ATOM 1064 CB SER A 63 -1.895 11.278 -18.134 1.00 0.00 C ATOM 1065 OG SER A 63 -2.999 10.397 -18.244 1.00 0.00 O ATOM 0 H SER A 63 -2.196 12.467 -20.277 1.00 0.00 H new ATOM 0 HA SER A 63 0.076 11.368 -18.988 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.369 11.092 -17.198 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.250 12.308 -18.101 1.00 0.00 H new ATOM 0 HG SER A 63 -3.674 10.633 -17.574 1.00 0.00 H new ATOM 1071 N THR A 64 0.143 8.931 -19.430 1.00 0.00 N ATOM 1072 CA THR A 64 0.273 7.529 -19.805 1.00 0.00 C ATOM 1073 C THR A 64 1.577 6.939 -19.282 1.00 0.00 C ATOM 1074 O THR A 64 2.510 7.669 -18.948 1.00 0.00 O ATOM 1075 CB THR A 64 0.217 7.349 -21.334 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.467 5.981 -21.675 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.237 8.243 -22.022 1.00 0.00 C ATOM 0 H THR A 64 0.932 9.300 -18.899 1.00 0.00 H new ATOM 0 HA THR A 64 -0.568 7.002 -19.354 1.00 0.00 H new ATOM 0 HB THR A 64 -0.779 7.632 -21.675 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.428 5.874 -22.648 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.179 8.098 -23.101 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.026 9.286 -21.784 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.238 7.987 -21.675 1.00 0.00 H new ATOM 1085 N ALA A 65 1.637 5.613 -19.215 1.00 0.00 N ATOM 1086 CA ALA A 65 2.829 4.925 -18.736 1.00 0.00 C ATOM 1087 C ALA A 65 3.288 3.864 -19.730 1.00 0.00 C ATOM 1088 O ALA A 65 2.468 3.187 -20.350 1.00 0.00 O ATOM 1089 CB ALA A 65 2.564 4.297 -17.375 1.00 0.00 C ATOM 0 H ALA A 65 0.873 4.994 -19.487 1.00 0.00 H new ATOM 0 HA ALA A 65 3.627 5.660 -18.636 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.463 3.786 -17.029 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.291 5.075 -16.662 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.748 3.579 -17.458 1.00 0.00 H new ATOM 1095 N GLN A 66 4.601 3.726 -19.877 1.00 0.00 N ATOM 1096 CA GLN A 66 5.168 2.747 -20.798 1.00 0.00 C ATOM 1097 C GLN A 66 6.107 1.793 -20.068 1.00 0.00 C ATOM 1098 O GLN A 66 6.756 2.170 -19.092 1.00 0.00 O ATOM 1099 CB GLN A 66 5.917 3.454 -21.929 1.00 0.00 C ATOM 1100 CG GLN A 66 5.092 4.519 -22.633 1.00 0.00 C ATOM 1101 CD GLN A 66 4.092 3.930 -23.609 1.00 0.00 C ATOM 1102 OE1 GLN A 66 4.395 2.977 -24.327 1.00 0.00 O ATOM 1103 NE2 GLN A 66 2.891 4.497 -23.641 1.00 0.00 N ATOM 0 H GLN A 66 5.293 4.279 -19.371 1.00 0.00 H new ATOM 0 HA GLN A 66 4.348 2.167 -21.222 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.819 3.913 -21.525 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.238 2.712 -22.660 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.562 5.113 -21.889 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.759 5.197 -23.166 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.683 5.285 -23.028 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.177 4.144 -24.278 1.00 0.00 H new ATOM 1112 N TYR A 67 6.175 0.556 -20.547 1.00 0.00 N ATOM 1113 CA TYR A 67 7.033 -0.453 -19.938 1.00 0.00 C ATOM 1114 C TYR A 67 8.440 -0.399 -20.526 1.00 0.00 C ATOM 1115 O TYR A 67 8.619 -0.445 -21.743 1.00 0.00 O ATOM 1116 CB TYR A 67 6.438 -1.848 -20.140 1.00 0.00 C ATOM 1117 CG TYR A 67 7.387 -2.969 -19.781 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.216 -2.876 -18.670 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.453 -4.123 -20.553 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.085 -3.897 -18.340 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.318 -5.150 -20.229 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.132 -5.032 -19.122 1.00 0.00 C ATOM 1123 OH TYR A 67 9.996 -6.053 -18.795 1.00 0.00 O ATOM 0 H TYR A 67 5.646 0.228 -21.355 1.00 0.00 H new ATOM 0 HA TYR A 67 7.096 -0.243 -18.870 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.535 -1.940 -19.536 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.137 -1.958 -21.182 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.180 -1.990 -18.054 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.817 -4.218 -21.421 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.724 -3.807 -17.474 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.357 -6.040 -20.839 1.00 0.00 H new ATOM 0 HH TYR A 67 10.920 -5.738 -18.876 1.00 0.00 H new ATOM 1133 N ASP A 68 9.435 -0.301 -19.652 1.00 0.00 N ATOM 1134 CA ASP A 68 10.828 -0.241 -20.082 1.00 0.00 C ATOM 1135 C ASP A 68 11.514 -1.590 -19.889 1.00 0.00 C ATOM 1136 O ASP A 68 11.688 -2.054 -18.762 1.00 0.00 O ATOM 1137 CB ASP A 68 11.578 0.842 -19.306 1.00 0.00 C ATOM 1138 CG ASP A 68 11.595 2.171 -20.035 1.00 0.00 C ATOM 1139 OD1 ASP A 68 11.600 2.161 -21.284 1.00 0.00 O ATOM 1140 OD2 ASP A 68 11.604 3.220 -19.358 1.00 0.00 O ATOM 0 H ASP A 68 9.304 -0.261 -18.641 1.00 0.00 H new ATOM 0 HA ASP A 68 10.845 0.007 -21.143 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.113 0.973 -18.329 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.603 0.515 -19.130 1.00 0.00 H new ATOM 1145 N SER A 69 11.900 -2.215 -20.997 1.00 0.00 N ATOM 1146 CA SER A 69 12.562 -3.514 -20.950 1.00 0.00 C ATOM 1147 C SER A 69 14.064 -3.350 -20.733 1.00 0.00 C ATOM 1148 O SER A 69 14.714 -4.206 -20.133 1.00 0.00 O ATOM 1149 CB SER A 69 12.304 -4.288 -22.244 1.00 0.00 C ATOM 1150 OG SER A 69 12.562 -3.483 -23.381 1.00 0.00 O ATOM 0 H SER A 69 11.766 -1.843 -21.937 1.00 0.00 H new ATOM 0 HA SER A 69 12.150 -4.075 -20.111 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.936 -5.176 -22.272 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.270 -4.632 -22.265 1.00 0.00 H new ATOM 0 HG SER A 69 12.391 -4.002 -24.195 1.00 0.00 H new ATOM 1156 N LYS A 70 14.609 -2.243 -21.227 1.00 0.00 N ATOM 1157 CA LYS A 70 16.033 -1.964 -21.088 1.00 0.00 C ATOM 1158 C LYS A 70 16.450 -1.978 -19.620 1.00 0.00 C ATOM 1159 O LYS A 70 17.604 -2.255 -19.296 1.00 0.00 O ATOM 1160 CB LYS A 70 16.371 -0.607 -21.711 1.00 0.00 C ATOM 1161 CG LYS A 70 15.555 0.542 -21.146 1.00 0.00 C ATOM 1162 CD LYS A 70 16.281 1.234 -20.005 1.00 0.00 C ATOM 1163 CE LYS A 70 15.318 2.010 -19.120 1.00 0.00 C ATOM 1164 NZ LYS A 70 15.031 3.365 -19.668 1.00 0.00 N ATOM 0 H LYS A 70 14.086 -1.525 -21.727 1.00 0.00 H new ATOM 0 HA LYS A 70 16.583 -2.746 -21.612 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.430 -0.400 -21.557 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.210 -0.661 -22.788 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.346 1.263 -21.936 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.594 0.168 -20.793 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.810 0.493 -19.406 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.033 1.912 -20.409 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.386 1.453 -19.021 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.740 2.105 -18.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.371 3.862 -19.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.917 3.906 -19.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.605 3.274 -20.612 1.00 0.00 H new ATOM 1178 N ASP A 71 15.502 -1.679 -18.738 1.00 0.00 N ATOM 1179 CA ASP A 71 15.770 -1.660 -17.305 1.00 0.00 C ATOM 1180 C ASP A 71 14.688 -2.415 -16.540 1.00 0.00 C ATOM 1181 O ASP A 71 14.673 -2.420 -15.310 1.00 0.00 O ATOM 1182 CB ASP A 71 15.858 -0.219 -16.800 1.00 0.00 C ATOM 1183 CG ASP A 71 16.325 -0.138 -15.360 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.977 -1.095 -14.893 1.00 0.00 O ATOM 1185 OD2 ASP A 71 16.037 0.881 -14.699 1.00 0.00 O ATOM 0 H ASP A 71 14.541 -1.447 -18.991 1.00 0.00 H new ATOM 0 HA ASP A 71 16.725 -2.156 -17.132 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.544 0.344 -17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.880 0.255 -16.889 1.00 0.00 H new ATOM 1190 N GLU A 72 13.783 -3.052 -17.278 1.00 0.00 N ATOM 1191 CA GLU A 72 12.696 -3.809 -16.668 1.00 0.00 C ATOM 1192 C GLU A 72 11.920 -2.944 -15.678 1.00 0.00 C ATOM 1193 O GLU A 72 11.324 -3.452 -14.728 1.00 0.00 O ATOM 1194 CB GLU A 72 13.244 -5.048 -15.958 1.00 0.00 C ATOM 1195 CG GLU A 72 14.130 -5.913 -16.839 1.00 0.00 C ATOM 1196 CD GLU A 72 13.340 -6.704 -17.863 1.00 0.00 C ATOM 1197 OE1 GLU A 72 12.665 -6.075 -18.705 1.00 0.00 O ATOM 1198 OE2 GLU A 72 13.396 -7.950 -17.823 1.00 0.00 O ATOM 0 H GLU A 72 13.781 -3.059 -18.298 1.00 0.00 H new ATOM 0 HA GLU A 72 12.017 -4.124 -17.460 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.813 -4.733 -15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.409 -5.648 -15.596 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.853 -5.280 -17.353 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.698 -6.601 -16.213 1.00 0.00 H new ATOM 1205 N CYS A 73 11.932 -1.636 -15.909 1.00 0.00 N ATOM 1206 CA CYS A 73 11.231 -0.700 -15.038 1.00 0.00 C ATOM 1207 C CYS A 73 10.003 -0.124 -15.735 1.00 0.00 C ATOM 1208 O CYS A 73 9.822 -0.300 -16.940 1.00 0.00 O ATOM 1209 CB CYS A 73 12.167 0.432 -14.611 1.00 0.00 C ATOM 1210 SG CYS A 73 12.601 1.573 -15.945 1.00 0.00 S ATOM 0 H CYS A 73 12.419 -1.200 -16.692 1.00 0.00 H new ATOM 0 HA CYS A 73 10.903 -1.244 -14.152 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.696 0.994 -13.805 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.082 -0.001 -14.205 1.00 0.00 H new ATOM 0 HG CYS A 73 13.393 2.496 -15.486 1.00 0.00 H new ATOM 1216 N ILE A 74 9.161 0.562 -14.969 1.00 0.00 N ATOM 1217 CA ILE A 74 7.950 1.162 -15.514 1.00 0.00 C ATOM 1218 C ILE A 74 7.980 2.681 -15.380 1.00 0.00 C ATOM 1219 O ILE A 74 8.298 3.214 -14.317 1.00 0.00 O ATOM 1220 CB ILE A 74 6.689 0.622 -14.813 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.670 -0.908 -14.858 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.437 1.192 -15.462 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.427 -1.468 -16.242 1.00 0.00 C ATOM 0 H ILE A 74 9.295 0.716 -13.970 1.00 0.00 H new ATOM 0 HA ILE A 74 7.913 0.893 -16.570 1.00 0.00 H new ATOM 0 HB ILE A 74 6.708 0.936 -13.769 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.621 -1.286 -14.483 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.894 -1.274 -14.185 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.554 0.801 -14.956 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.449 2.279 -15.383 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.409 0.905 -16.513 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.426 -2.557 -16.199 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.463 -1.119 -16.612 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.216 -1.132 -16.914 1.00 0.00 H new ATOM 1235 N ASN A 75 7.646 3.373 -16.464 1.00 0.00 N ATOM 1236 CA ASN A 75 7.634 4.831 -16.467 1.00 0.00 C ATOM 1237 C ASN A 75 6.206 5.363 -16.542 1.00 0.00 C ATOM 1238 O ASN A 75 5.452 5.021 -17.453 1.00 0.00 O ATOM 1239 CB ASN A 75 8.452 5.366 -17.645 1.00 0.00 C ATOM 1240 CG ASN A 75 8.062 4.721 -18.961 1.00 0.00 C ATOM 1241 OD1 ASN A 75 7.009 5.021 -19.524 1.00 0.00 O ATOM 1242 ND2 ASN A 75 8.911 3.828 -19.457 1.00 0.00 N ATOM 0 H ASN A 75 7.380 2.947 -17.352 1.00 0.00 H new ATOM 0 HA ASN A 75 8.083 5.175 -15.535 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.316 6.445 -17.718 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.511 5.191 -17.458 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.702 3.360 -20.339 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.772 3.610 -18.956 1.00 0.00 H new ATOM 1249 N VAL A 76 5.842 6.202 -15.578 1.00 0.00 N ATOM 1250 CA VAL A 76 4.506 6.784 -15.535 1.00 0.00 C ATOM 1251 C VAL A 76 4.556 8.294 -15.741 1.00 0.00 C ATOM 1252 O VAL A 76 5.270 9.005 -15.033 1.00 0.00 O ATOM 1253 CB VAL A 76 3.805 6.483 -14.197 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.365 6.970 -14.226 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.867 4.995 -13.886 1.00 0.00 C ATOM 0 H VAL A 76 6.454 6.494 -14.816 1.00 0.00 H new ATOM 0 HA VAL A 76 3.937 6.328 -16.346 1.00 0.00 H new ATOM 0 HB VAL A 76 4.328 7.019 -13.405 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.887 6.748 -13.272 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.348 8.046 -14.399 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.826 6.465 -15.028 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.367 4.800 -12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.370 4.436 -14.679 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.908 4.681 -13.818 1.00 0.00 H new ATOM 1265 N LYS A 77 3.793 8.778 -16.715 1.00 0.00 N ATOM 1266 CA LYS A 77 3.748 10.204 -17.015 1.00 0.00 C ATOM 1267 C LYS A 77 2.391 10.795 -16.648 1.00 0.00 C ATOM 1268 O LYS A 77 1.351 10.179 -16.883 1.00 0.00 O ATOM 1269 CB LYS A 77 4.037 10.444 -18.498 1.00 0.00 C ATOM 1270 CG LYS A 77 2.979 11.281 -19.196 1.00 0.00 C ATOM 1271 CD LYS A 77 3.112 12.753 -18.845 1.00 0.00 C ATOM 1272 CE LYS A 77 3.235 13.615 -20.093 1.00 0.00 C ATOM 1273 NZ LYS A 77 3.099 15.065 -19.781 1.00 0.00 N ATOM 0 H LYS A 77 3.197 8.203 -17.310 1.00 0.00 H new ATOM 0 HA LYS A 77 4.513 10.699 -16.418 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.003 10.939 -18.596 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.119 9.482 -19.004 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.067 11.154 -20.275 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.988 10.927 -18.913 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.244 13.070 -18.267 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.988 12.900 -18.212 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.200 13.434 -20.566 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.469 13.325 -20.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.736 15.567 -20.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.438 15.189 -18.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.028 15.453 -19.521 1.00 0.00 H new ATOM 1287 N VAL A 78 2.407 11.993 -16.073 1.00 0.00 N ATOM 1288 CA VAL A 78 1.177 12.667 -15.677 1.00 0.00 C ATOM 1289 C VAL A 78 1.323 14.182 -15.777 1.00 0.00 C ATOM 1290 O VAL A 78 2.329 14.748 -15.349 1.00 0.00 O ATOM 1291 CB VAL A 78 0.771 12.296 -14.238 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.926 12.538 -13.278 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.460 13.082 -13.812 1.00 0.00 C ATOM 0 H VAL A 78 3.259 12.517 -15.871 1.00 0.00 H new ATOM 0 HA VAL A 78 0.399 12.333 -16.364 1.00 0.00 H new ATOM 0 HB VAL A 78 0.524 11.235 -14.211 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.621 12.270 -12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.779 11.927 -13.573 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.207 13.591 -13.305 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.733 12.807 -12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.243 14.149 -13.854 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.288 12.853 -14.483 1.00 0.00 H new ATOM 1303 N ALA A 79 0.314 14.832 -16.346 1.00 0.00 N ATOM 1304 CA ALA A 79 0.329 16.282 -16.500 1.00 0.00 C ATOM 1305 C ALA A 79 -0.077 16.976 -15.204 1.00 0.00 C ATOM 1306 O ALA A 79 -0.888 16.457 -14.437 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.592 16.701 -17.636 1.00 0.00 C ATOM 0 H ALA A 79 -0.524 14.378 -16.708 1.00 0.00 H new ATOM 0 HA ALA A 79 1.347 16.587 -16.741 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.571 17.786 -17.740 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.256 16.241 -18.565 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.610 16.377 -17.418 1.00 0.00 H new ATOM 1313 N LYS A 80 0.494 18.152 -14.965 1.00 0.00 N ATOM 1314 CA LYS A 80 0.191 18.919 -13.763 1.00 0.00 C ATOM 1315 C LYS A 80 -0.856 19.990 -14.049 1.00 0.00 C ATOM 1316 O LYS A 80 -1.225 20.220 -15.202 1.00 0.00 O ATOM 1317 CB LYS A 80 1.464 19.569 -13.215 1.00 0.00 C ATOM 1318 CG LYS A 80 2.074 20.597 -14.152 1.00 0.00 C ATOM 1319 CD LYS A 80 3.568 20.382 -14.319 1.00 0.00 C ATOM 1320 CE LYS A 80 4.346 20.914 -13.125 1.00 0.00 C ATOM 1321 NZ LYS A 80 4.243 20.007 -11.948 1.00 0.00 N ATOM 0 H LYS A 80 1.169 18.594 -15.588 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.211 18.234 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.236 20.048 -12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.201 18.792 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.586 20.538 -15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.891 21.599 -13.763 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.772 19.318 -14.442 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.909 20.879 -15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.394 21.036 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.970 21.901 -12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.052 20.167 -11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.359 20.202 -11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.245 19.018 -12.270 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.332 20.643 -12.995 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.337 21.691 -13.133 1.00 0.00 C ATOM 1337 C LEU A 81 -1.681 23.042 -13.401 1.00 0.00 C ATOM 1338 O LEU A 81 -2.221 23.871 -14.133 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.197 21.770 -11.871 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.108 20.571 -11.603 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.976 20.823 -10.380 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -4.971 20.274 -12.820 1.00 0.00 C ATOM 0 H LEU A 81 -1.038 20.465 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.973 21.441 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.537 21.898 -11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.816 22.665 -11.933 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.482 19.701 -11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.617 19.959 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.340 20.985 -9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.593 21.705 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.613 19.418 -12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.588 21.143 -13.049 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.331 20.048 -13.673 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.513 23.256 -12.804 1.00 0.00 N ATOM 1355 CA ASN A 82 0.217 24.506 -12.979 1.00 0.00 C ATOM 1356 C ASN A 82 1.634 24.242 -13.481 1.00 0.00 C ATOM 1357 O ASN A 82 2.438 23.605 -12.800 1.00 0.00 O ATOM 1358 CB ASN A 82 0.268 25.280 -11.660 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.006 25.129 -10.852 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.890 25.984 -10.901 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.105 24.038 -10.102 1.00 0.00 N ATOM 0 H ASN A 82 -0.052 22.580 -12.195 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.309 25.104 -13.724 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.114 24.929 -11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.440 26.336 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.939 23.882 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.347 23.355 -10.092 1.00 0.00 H new ATOM 1368 N LYS A 83 1.933 24.736 -14.678 1.00 0.00 N ATOM 1369 CA LYS A 83 3.252 24.557 -15.273 1.00 0.00 C ATOM 1370 C LYS A 83 4.323 25.254 -14.441 1.00 0.00 C ATOM 1371 O LYS A 83 4.022 26.133 -13.635 1.00 0.00 O ATOM 1372 CB LYS A 83 3.267 25.101 -16.703 1.00 0.00 C ATOM 1373 CG LYS A 83 4.494 24.687 -17.498 1.00 0.00 C ATOM 1374 CD LYS A 83 4.210 24.667 -18.991 1.00 0.00 C ATOM 1375 CE LYS A 83 4.687 23.373 -19.631 1.00 0.00 C ATOM 1376 NZ LYS A 83 4.247 23.261 -21.050 1.00 0.00 N ATOM 0 H LYS A 83 1.279 25.264 -15.255 1.00 0.00 H new ATOM 0 HA LYS A 83 3.472 23.490 -15.295 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.374 24.756 -17.224 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.216 26.189 -16.669 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.312 25.377 -17.292 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.821 23.699 -17.176 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.140 24.785 -19.161 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.704 25.514 -19.468 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.775 23.324 -19.583 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.304 22.525 -19.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.592 22.365 -21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.208 23.283 -21.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.633 24.057 -21.597 1.00 0.00 H new ATOM 1390 N ASN A 84 5.575 24.857 -14.644 1.00 0.00 N ATOM 1391 CA ASN A 84 6.692 25.445 -13.913 1.00 0.00 C ATOM 1392 C ASN A 84 6.565 25.174 -12.417 1.00 0.00 C ATOM 1393 O ASN A 84 7.209 25.832 -11.600 1.00 0.00 O ATOM 1394 CB ASN A 84 6.756 26.953 -14.166 1.00 0.00 C ATOM 1395 CG ASN A 84 7.798 27.320 -15.204 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.600 28.232 -14.999 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.791 26.611 -16.327 1.00 0.00 N ATOM 0 H ASN A 84 5.842 24.131 -15.309 1.00 0.00 H new ATOM 0 HA ASN A 84 7.612 24.984 -14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.779 27.305 -14.496 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.981 27.466 -13.231 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.468 26.813 -17.062 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.108 25.864 -16.454 1.00 0.00 H new ATOM 1404 N GLU A 85 5.731 24.200 -12.065 1.00 0.00 N ATOM 1405 CA GLU A 85 5.520 23.843 -10.667 1.00 0.00 C ATOM 1406 C GLU A 85 6.369 22.635 -10.281 1.00 0.00 C ATOM 1407 O GLU A 85 6.572 21.723 -11.083 1.00 0.00 O ATOM 1408 CB GLU A 85 4.041 23.544 -10.412 1.00 0.00 C ATOM 1409 CG GLU A 85 3.743 23.129 -8.981 1.00 0.00 C ATOM 1410 CD GLU A 85 2.350 22.551 -8.819 1.00 0.00 C ATOM 1411 OE1 GLU A 85 1.400 23.339 -8.627 1.00 0.00 O ATOM 1412 OE2 GLU A 85 2.210 21.312 -8.884 1.00 0.00 O ATOM 0 H GLU A 85 5.191 23.645 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 85 5.823 24.690 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.453 24.429 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.718 22.751 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.478 22.391 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.852 23.993 -8.326 1.00 0.00 H new ATOM 1419 N TYR A 86 6.862 22.637 -9.047 1.00 0.00 N ATOM 1420 CA TYR A 86 7.692 21.544 -8.554 1.00 0.00 C ATOM 1421 C TYR A 86 7.045 20.871 -7.348 1.00 0.00 C ATOM 1422 O TYR A 86 5.915 21.189 -6.976 1.00 0.00 O ATOM 1423 CB TYR A 86 9.082 22.060 -8.180 1.00 0.00 C ATOM 1424 CG TYR A 86 9.125 22.776 -6.849 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.540 24.026 -6.692 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.749 22.201 -5.749 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.578 24.684 -5.478 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.790 22.851 -4.531 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.203 24.093 -4.400 1.00 0.00 C ATOM 1430 OH TYR A 86 9.241 24.744 -3.189 1.00 0.00 O ATOM 0 H TYR A 86 6.701 23.383 -8.370 1.00 0.00 H new ATOM 0 HA TYR A 86 7.788 20.806 -9.351 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.777 21.221 -8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.430 22.738 -8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.047 24.491 -7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.210 21.229 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.120 25.657 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.279 22.390 -3.686 1.00 0.00 H new ATOM 0 HH TYR A 86 9.717 24.191 -2.535 1.00 0.00 H new ATOM 1440 N PHE A 87 7.771 19.939 -6.739 1.00 0.00 N ATOM 1441 CA PHE A 87 7.269 19.219 -5.574 1.00 0.00 C ATOM 1442 C PHE A 87 8.319 19.178 -4.467 1.00 0.00 C ATOM 1443 O PHE A 87 9.510 19.357 -4.721 1.00 0.00 O ATOM 1444 CB PHE A 87 6.864 17.796 -5.962 1.00 0.00 C ATOM 1445 CG PHE A 87 5.706 17.742 -6.917 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.853 18.161 -8.230 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.471 17.271 -6.502 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.790 18.112 -9.111 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.404 17.220 -7.380 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.563 17.641 -8.685 1.00 0.00 C ATOM 0 H PHE A 87 8.708 19.665 -7.033 1.00 0.00 H new ATOM 0 HA PHE A 87 6.393 19.749 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.720 17.293 -6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.607 17.241 -5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.810 18.530 -8.568 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.340 16.940 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.918 18.441 -10.132 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.446 16.851 -7.045 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.730 17.602 -9.371 1.00 0.00 H new ATOM 1460 N GLU A 88 7.867 18.940 -3.240 1.00 0.00 N ATOM 1461 CA GLU A 88 8.767 18.877 -2.094 1.00 0.00 C ATOM 1462 C GLU A 88 8.515 17.615 -1.274 1.00 0.00 C ATOM 1463 O GLU A 88 8.850 17.554 -0.091 1.00 0.00 O ATOM 1464 CB GLU A 88 8.594 20.115 -1.212 1.00 0.00 C ATOM 1465 CG GLU A 88 9.624 21.200 -1.478 1.00 0.00 C ATOM 1466 CD GLU A 88 10.157 21.824 -0.203 1.00 0.00 C ATOM 1467 OE1 GLU A 88 9.411 22.594 0.437 1.00 0.00 O ATOM 1468 OE2 GLU A 88 11.320 21.542 0.155 1.00 0.00 O ATOM 0 H GLU A 88 6.884 18.788 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 88 9.790 18.848 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.597 20.526 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.655 19.817 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.453 20.777 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.176 21.976 -2.098 1.00 0.00 H new ATOM 1475 N ASP A 89 7.921 16.612 -1.910 1.00 0.00 N ATOM 1476 CA ASP A 89 7.624 15.351 -1.241 1.00 0.00 C ATOM 1477 C ASP A 89 7.846 14.170 -2.181 1.00 0.00 C ATOM 1478 O ASP A 89 7.257 13.103 -2.005 1.00 0.00 O ATOM 1479 CB ASP A 89 6.182 15.347 -0.730 1.00 0.00 C ATOM 1480 CG ASP A 89 6.083 15.745 0.729 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.160 16.957 1.020 1.00 0.00 O ATOM 1482 OD2 ASP A 89 5.930 14.845 1.581 1.00 0.00 O ATOM 0 H ASP A 89 7.635 16.648 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 89 8.302 15.250 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.585 16.032 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.756 14.352 -0.862 1.00 0.00 H new ATOM 1487 N LEU A 90 8.699 14.369 -3.180 1.00 0.00 N ATOM 1488 CA LEU A 90 8.999 13.322 -4.150 1.00 0.00 C ATOM 1489 C LEU A 90 10.343 12.666 -3.845 1.00 0.00 C ATOM 1490 O LEU A 90 10.741 11.708 -4.507 1.00 0.00 O ATOM 1491 CB LEU A 90 9.010 13.899 -5.566 1.00 0.00 C ATOM 1492 CG LEU A 90 7.683 14.466 -6.070 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.800 14.887 -7.527 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.566 13.446 -5.896 1.00 0.00 C ATOM 0 H LEU A 90 9.195 15.246 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 90 8.220 12.562 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.759 14.689 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.332 13.117 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 90 7.439 15.348 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.845 15.288 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.570 15.652 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.068 14.023 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.629 13.867 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.804 12.546 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.465 13.194 -4.840 1.00 0.00 H new ATOM 1506 N ASP A 91 11.035 13.188 -2.838 1.00 0.00 N ATOM 1507 CA ASP A 91 12.332 12.651 -2.443 1.00 0.00 C ATOM 1508 C ASP A 91 12.175 11.601 -1.348 1.00 0.00 C ATOM 1509 O ASP A 91 13.099 10.835 -1.070 1.00 0.00 O ATOM 1510 CB ASP A 91 13.248 13.777 -1.960 1.00 0.00 C ATOM 1511 CG ASP A 91 13.998 14.441 -3.098 1.00 0.00 C ATOM 1512 OD1 ASP A 91 13.490 14.416 -4.239 1.00 0.00 O ATOM 1513 OD2 ASP A 91 15.094 14.985 -2.848 1.00 0.00 O ATOM 0 H ASP A 91 10.720 13.982 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 91 12.782 12.176 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.654 14.525 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.964 13.377 -1.242 1.00 0.00 H new ATOM 1518 N LEU A 92 11.000 11.572 -0.728 1.00 0.00 N ATOM 1519 CA LEU A 92 10.722 10.616 0.339 1.00 0.00 C ATOM 1520 C LEU A 92 9.751 9.540 -0.134 1.00 0.00 C ATOM 1521 O LEU A 92 8.543 9.758 -0.232 1.00 0.00 O ATOM 1522 CB LEU A 92 10.147 11.337 1.559 1.00 0.00 C ATOM 1523 CG LEU A 92 10.914 12.572 2.033 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.414 12.349 1.909 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.489 13.800 1.241 1.00 0.00 C ATOM 0 H LEU A 92 10.225 12.199 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 92 11.660 10.136 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.124 11.635 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.096 10.627 2.385 1.00 0.00 H new ATOM 0 HG LEU A 92 10.678 12.742 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.944 13.238 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.707 11.495 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.668 12.154 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.045 14.669 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.696 13.640 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.422 13.971 1.380 1.00 0.00 H new ATOM 1537 N PRO A 93 10.289 8.348 -0.433 1.00 0.00 N ATOM 1538 CA PRO A 93 9.487 7.212 -0.898 1.00 0.00 C ATOM 1539 C PRO A 93 8.595 6.644 0.200 1.00 0.00 C ATOM 1540 O PRO A 93 7.754 5.780 -0.053 1.00 0.00 O ATOM 1541 CB PRO A 93 10.539 6.183 -1.318 1.00 0.00 C ATOM 1542 CG PRO A 93 11.744 6.523 -0.511 1.00 0.00 C ATOM 1543 CD PRO A 93 11.720 8.017 -0.340 1.00 0.00 C ATOM 0 HA PRO A 93 8.805 7.496 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.201 5.166 -1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.748 6.243 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.721 6.019 0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.655 6.203 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.141 8.318 0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.300 8.519 -1.114 1.00 0.00 H new ATOM 1551 N THR A 94 8.783 7.134 1.422 1.00 0.00 N ATOM 1552 CA THR A 94 7.996 6.674 2.559 1.00 0.00 C ATOM 1553 C THR A 94 6.861 7.644 2.870 1.00 0.00 C ATOM 1554 O THR A 94 5.885 7.283 3.527 1.00 0.00 O ATOM 1555 CB THR A 94 8.870 6.505 3.816 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.532 7.737 4.121 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.902 5.406 3.613 1.00 0.00 C ATOM 0 H THR A 94 9.474 7.849 1.649 1.00 0.00 H new ATOM 0 HA THR A 94 7.578 5.706 2.283 1.00 0.00 H new ATOM 0 HB THR A 94 8.223 6.225 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.084 7.622 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.508 5.305 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.394 4.463 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.545 5.661 2.770 1.00 0.00 H new ATOM 1565 N LYS A 95 6.995 8.876 2.393 1.00 0.00 N ATOM 1566 CA LYS A 95 5.980 9.899 2.618 1.00 0.00 C ATOM 1567 C LYS A 95 4.692 9.560 1.873 1.00 0.00 C ATOM 1568 O LYS A 95 3.593 9.739 2.400 1.00 0.00 O ATOM 1569 CB LYS A 95 6.497 11.267 2.168 1.00 0.00 C ATOM 1570 CG LYS A 95 7.394 11.944 3.190 1.00 0.00 C ATOM 1571 CD LYS A 95 6.591 12.515 4.346 1.00 0.00 C ATOM 1572 CE LYS A 95 7.476 13.290 5.311 1.00 0.00 C ATOM 1573 NZ LYS A 95 6.680 14.179 6.202 1.00 0.00 N ATOM 0 H LYS A 95 7.797 9.191 1.848 1.00 0.00 H new ATOM 0 HA LYS A 95 5.764 9.933 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.048 11.149 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.647 11.916 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.120 11.226 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.958 12.743 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.811 13.171 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.092 11.705 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.052 12.591 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.192 13.888 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.319 14.689 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.150 14.863 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.014 13.606 6.759 1.00 0.00 H new ATOM 1587 N LEU A 96 4.835 9.070 0.647 1.00 0.00 N ATOM 1588 CA LEU A 96 3.683 8.705 -0.170 1.00 0.00 C ATOM 1589 C LEU A 96 2.940 7.519 0.436 1.00 0.00 C ATOM 1590 O LEU A 96 1.726 7.571 0.641 1.00 0.00 O ATOM 1591 CB LEU A 96 4.128 8.369 -1.594 1.00 0.00 C ATOM 1592 CG LEU A 96 4.918 9.455 -2.324 1.00 0.00 C ATOM 1593 CD1 LEU A 96 4.495 10.836 -1.846 1.00 0.00 C ATOM 1594 CD2 LEU A 96 6.413 9.254 -2.123 1.00 0.00 C ATOM 0 H LEU A 96 5.737 8.916 0.197 1.00 0.00 H new ATOM 0 HA LEU A 96 3.005 9.558 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.737 7.466 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.242 8.133 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 96 4.702 9.380 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.068 11.596 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.433 10.979 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.681 10.923 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.959 10.036 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.647 9.301 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.705 8.280 -2.516 1.00 0.00 H new ATOM 1606 N LEU A 97 3.675 6.451 0.723 1.00 0.00 N ATOM 1607 CA LEU A 97 3.087 5.251 1.309 1.00 0.00 C ATOM 1608 C LEU A 97 2.315 5.588 2.580 1.00 0.00 C ATOM 1609 O LEU A 97 1.241 5.042 2.829 1.00 0.00 O ATOM 1610 CB LEU A 97 4.177 4.223 1.618 1.00 0.00 C ATOM 1611 CG LEU A 97 4.531 3.259 0.485 1.00 0.00 C ATOM 1612 CD1 LEU A 97 4.851 4.026 -0.788 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.703 2.374 0.885 1.00 0.00 C ATOM 0 H LEU A 97 4.680 6.391 0.560 1.00 0.00 H new ATOM 0 HA LEU A 97 2.391 4.827 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.081 4.758 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.862 3.637 2.481 1.00 0.00 H new ATOM 0 HG LEU A 97 3.668 2.621 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.101 3.323 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.984 4.617 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.698 4.689 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.941 1.694 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.571 2.996 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.437 1.797 1.771 1.00 0.00 H new