USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 569 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 60 HIS :FLIP no HD1:sc= -0.968 F(o=-1.7,f=-0.97) USER MOD Set 1.2: A 61 HIS :FLIP no HE2:sc= -0.0039 X(o=-1.1,f=-0.97) USER MOD Set 2.1: A 11 MET CE :methyl 143:sc= -0.991 (180deg=-0.271) USER MOD Set 2.2: A 26 THR OG1 : rot 110:sc= -1.11 USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= -0.505 USER MOD Set 3.2: A 19 CYS SG : rot -120:sc= -0.933 USER MOD Set 3.3: A 41 CYS SG : rot -170:sc= -0.125 USER MOD Set 3.4: A 44 CYS SG : rot -56:sc= -1.09 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 157:sc= -0.0354 (180deg=-0.809) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00709 X(o=-0.0071,f=-0.12) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 120:sc= -0.464 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -1.24 F(o=-2.1,f=-1.2) USER MOD Single : A 27 MET CE :methyl -148:sc= -2.52 (180deg=-4.99!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.512 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.022) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -130:sc= -1.48 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00689 USER MOD Single : A 43 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.049) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -3.62 K(o=-3.6,f=-4.3) USER MOD Single : A 53 HIS : no HD1:sc= -1 X(o=-1,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.129 (180deg=-1.62!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -120:sc= 0.972 USER MOD Single : A 66 GLN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 68 MET CE :methyl -178:sc= 0 (180deg=-0.00454) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.049 -20.128 -3.068 1.00 0.00 N ATOM 118 CA LYS A 9 -3.775 -21.069 -2.223 1.00 0.00 C ATOM 119 C LYS A 9 -2.819 -21.837 -1.317 1.00 0.00 C ATOM 120 O LYS A 9 -1.667 -22.079 -1.678 1.00 0.00 O ATOM 121 CB LYS A 9 -4.576 -22.048 -3.085 1.00 0.00 C ATOM 122 CG LYS A 9 -5.831 -21.442 -3.688 1.00 0.00 C ATOM 123 CD LYS A 9 -6.790 -22.515 -4.174 1.00 0.00 C ATOM 124 CE LYS A 9 -6.366 -23.071 -5.525 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.485 -23.771 -6.213 1.00 0.00 N ATOM 0 HA LYS A 9 -4.462 -20.500 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.939 -22.417 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.854 -22.910 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.328 -20.818 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.559 -20.792 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.833 -23.323 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.795 -22.099 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.004 -22.258 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.535 -23.762 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.155 -24.135 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.814 -24.563 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.269 -23.105 -6.367 1.00 0.00 H new ATOM 139 N MET A 10 -3.304 -22.219 -0.140 1.00 0.00 N ATOM 140 CA MET A 10 -2.491 -22.963 0.816 1.00 0.00 C ATOM 141 C MET A 10 -3.271 -24.141 1.392 1.00 0.00 C ATOM 142 O MET A 10 -4.488 -24.067 1.562 1.00 0.00 O ATOM 143 CB MET A 10 -2.025 -22.043 1.946 1.00 0.00 C ATOM 144 CG MET A 10 -3.161 -21.312 2.642 1.00 0.00 C ATOM 145 SD MET A 10 -3.859 -22.255 4.012 1.00 0.00 S ATOM 146 CE MET A 10 -2.861 -21.660 5.375 1.00 0.00 C ATOM 0 H MET A 10 -4.255 -22.026 0.175 1.00 0.00 H new ATOM 0 HA MET A 10 -1.619 -23.350 0.290 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.479 -22.633 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.326 -21.311 1.542 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.797 -20.354 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.946 -21.096 1.918 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.398 -21.810 6.312 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.920 -22.210 5.404 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.656 -20.598 5.240 1.00 0.00 H new ATOM 156 N MET A 11 -2.563 -25.225 1.690 1.00 0.00 N ATOM 157 CA MET A 11 -3.190 -26.417 2.248 1.00 0.00 C ATOM 158 C MET A 11 -2.889 -26.544 3.738 1.00 0.00 C ATOM 159 O MET A 11 -1.802 -26.186 4.193 1.00 0.00 O ATOM 160 CB MET A 11 -2.705 -27.667 1.510 1.00 0.00 C ATOM 161 CG MET A 11 -3.674 -28.835 1.592 1.00 0.00 C ATOM 162 SD MET A 11 -3.151 -30.243 0.594 1.00 0.00 S ATOM 163 CE MET A 11 -3.468 -29.624 -1.056 1.00 0.00 C ATOM 0 H MET A 11 -1.555 -25.303 1.554 1.00 0.00 H new ATOM 0 HA MET A 11 -4.268 -26.323 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.537 -27.418 0.462 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.744 -27.973 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.772 -29.148 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.660 -28.508 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.689 -29.975 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.437 -29.985 -1.400 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.472 -28.534 -1.041 1.00 0.00 H new ATOM 173 N ILE A 12 -3.857 -27.053 4.492 1.00 0.00 N ATOM 174 CA ILE A 12 -3.694 -27.227 5.930 1.00 0.00 C ATOM 175 C ILE A 12 -4.559 -28.370 6.447 1.00 0.00 C ATOM 176 O ILE A 12 -5.778 -28.368 6.273 1.00 0.00 O ATOM 177 CB ILE A 12 -4.052 -25.940 6.696 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.376 -25.368 6.186 1.00 0.00 C ATOM 179 CG2 ILE A 12 -2.937 -24.913 6.558 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.247 -24.790 7.280 1.00 0.00 C ATOM 0 H ILE A 12 -4.763 -27.352 4.131 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.644 -27.463 6.102 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.166 -26.184 7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.167 -24.591 5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.928 -26.154 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.205 -24.009 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.013 -25.323 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.794 -24.671 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.169 -24.403 6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.486 -25.569 8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.714 -23.981 7.780 1.00 0.00 H new ATOM 192 N ALA A 13 -3.921 -29.346 7.085 1.00 0.00 N ATOM 193 CA ALA A 13 -4.633 -30.495 7.632 1.00 0.00 C ATOM 194 C ALA A 13 -5.109 -30.220 9.054 1.00 0.00 C ATOM 195 O ALA A 13 -4.323 -29.827 9.917 1.00 0.00 O ATOM 196 CB ALA A 13 -3.745 -31.730 7.600 1.00 0.00 C ATOM 0 H ALA A 13 -2.912 -29.364 7.236 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.511 -30.676 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.289 -32.580 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.459 -31.946 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.850 -31.550 8.195 1.00 0.00 H new ATOM 202 N PHE A 14 -6.400 -30.427 9.292 1.00 0.00 N ATOM 203 CA PHE A 14 -6.981 -30.200 10.610 1.00 0.00 C ATOM 204 C PHE A 14 -7.731 -31.437 11.095 1.00 0.00 C ATOM 205 O PHE A 14 -8.460 -32.073 10.334 1.00 0.00 O ATOM 206 CB PHE A 14 -7.927 -28.998 10.574 1.00 0.00 C ATOM 207 CG PHE A 14 -9.373 -29.368 10.735 1.00 0.00 C ATOM 208 CD1 PHE A 14 -9.946 -29.445 11.994 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.160 -29.640 9.627 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.277 -29.786 12.145 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.492 -29.982 9.772 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.051 -30.054 11.033 1.00 0.00 C ATOM 0 H PHE A 14 -7.064 -30.752 8.589 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.168 -29.993 11.306 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.648 -28.302 11.366 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.798 -28.473 9.628 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.346 -29.236 12.867 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.728 -29.584 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.711 -29.843 13.132 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.094 -30.192 8.901 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.091 -30.319 11.149 1.00 0.00 H new ATOM 222 N THR A 15 -7.545 -31.773 12.368 1.00 0.00 N ATOM 223 CA THR A 15 -8.202 -32.934 12.955 1.00 0.00 C ATOM 224 C THR A 15 -9.526 -32.548 13.603 1.00 0.00 C ATOM 225 O THR A 15 -9.600 -31.573 14.353 1.00 0.00 O ATOM 226 CB THR A 15 -7.306 -33.613 14.009 1.00 0.00 C ATOM 227 OG1 THR A 15 -6.003 -33.850 13.465 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.915 -34.928 14.471 1.00 0.00 C ATOM 0 H THR A 15 -6.945 -31.257 13.012 1.00 0.00 H new ATOM 0 HA THR A 15 -8.390 -33.635 12.142 1.00 0.00 H new ATOM 0 HB THR A 15 -7.225 -32.947 14.868 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.439 -34.280 14.142 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.265 -35.389 15.215 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.894 -34.741 14.912 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.023 -35.598 13.618 1.00 0.00 H new ATOM 236 N CYS A 16 -10.569 -33.317 13.311 1.00 0.00 N ATOM 237 CA CYS A 16 -11.892 -33.055 13.866 1.00 0.00 C ATOM 238 C CYS A 16 -12.059 -33.737 15.219 1.00 0.00 C ATOM 239 O CYS A 16 -12.037 -34.965 15.315 1.00 0.00 O ATOM 240 CB CYS A 16 -12.977 -33.535 12.901 1.00 0.00 C ATOM 241 SG CYS A 16 -14.548 -32.654 13.059 1.00 0.00 S ATOM 0 H CYS A 16 -10.524 -34.127 12.693 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.993 -31.979 14.008 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.613 -33.427 11.879 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.151 -34.598 13.066 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.400 -33.129 12.200 1.00 0.00 H new ATOM 246 N LYS A 17 -12.226 -32.934 16.265 1.00 0.00 N ATOM 247 CA LYS A 17 -12.396 -33.459 17.614 1.00 0.00 C ATOM 248 C LYS A 17 -13.765 -34.113 17.774 1.00 0.00 C ATOM 249 O LYS A 17 -14.033 -34.779 18.775 1.00 0.00 O ATOM 250 CB LYS A 17 -12.230 -32.340 18.644 1.00 0.00 C ATOM 251 CG LYS A 17 -13.233 -31.210 18.481 1.00 0.00 C ATOM 252 CD LYS A 17 -13.016 -30.119 19.517 1.00 0.00 C ATOM 253 CE LYS A 17 -14.075 -29.032 19.410 1.00 0.00 C ATOM 254 NZ LYS A 17 -13.888 -27.974 20.441 1.00 0.00 N ATOM 0 H LYS A 17 -12.247 -31.916 16.203 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.629 -34.215 17.782 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.329 -32.761 19.645 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.222 -31.934 18.567 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.146 -30.786 17.481 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.245 -31.604 18.573 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.039 -30.554 20.516 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.027 -29.680 19.383 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.036 -28.583 18.417 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.064 -29.476 19.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.629 -27.252 20.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.950 -28.398 21.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.954 -27.533 20.320 1.00 0.00 H new ATOM 268 N LYS A 18 -14.628 -33.921 16.782 1.00 0.00 N ATOM 269 CA LYS A 18 -15.968 -34.494 16.811 1.00 0.00 C ATOM 270 C LYS A 18 -15.936 -35.973 16.439 1.00 0.00 C ATOM 271 O LYS A 18 -16.348 -36.829 17.223 1.00 0.00 O ATOM 272 CB LYS A 18 -16.890 -33.736 15.852 1.00 0.00 C ATOM 273 CG LYS A 18 -17.233 -32.333 16.321 1.00 0.00 C ATOM 274 CD LYS A 18 -16.564 -31.277 15.457 1.00 0.00 C ATOM 275 CE LYS A 18 -17.044 -29.879 15.813 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.257 -29.495 15.039 1.00 0.00 N ATOM 0 H LYS A 18 -14.423 -33.372 15.947 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.354 -34.401 17.826 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.413 -33.677 14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.812 -34.303 15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.314 -32.194 16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.920 -32.208 17.358 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.483 -31.334 15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.774 -31.478 14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.264 -29.831 16.880 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.247 -29.161 15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.553 -28.536 15.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.041 -29.516 14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.026 -30.165 15.243 1.00 0.00 H new ATOM 290 N CYS A 19 -15.443 -36.266 15.241 1.00 0.00 N ATOM 291 CA CYS A 19 -15.356 -37.643 14.766 1.00 0.00 C ATOM 292 C CYS A 19 -13.921 -38.154 14.839 1.00 0.00 C ATOM 293 O CYS A 19 -13.597 -39.204 14.287 1.00 0.00 O ATOM 294 CB CYS A 19 -15.873 -37.742 13.331 1.00 0.00 C ATOM 295 SG CYS A 19 -15.149 -36.532 12.199 1.00 0.00 S ATOM 0 H CYS A 19 -15.098 -35.569 14.581 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.976 -38.264 15.412 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.671 -38.744 12.952 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.956 -37.615 13.337 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.090 -35.787 11.700 1.00 0.00 H new ATOM 300 N ASN A 20 -13.064 -37.401 15.522 1.00 0.00 N ATOM 301 CA ASN A 20 -11.662 -37.777 15.665 1.00 0.00 C ATOM 302 C ASN A 20 -11.057 -38.144 14.314 1.00 0.00 C ATOM 303 O ASN A 20 -10.172 -38.996 14.228 1.00 0.00 O ATOM 304 CB ASN A 20 -11.524 -38.952 16.635 1.00 0.00 C ATOM 305 CG ASN A 20 -10.176 -38.972 17.330 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.761 -37.983 17.934 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.485 -40.103 17.247 1.00 0.00 N ATOM 0 H ASN A 20 -13.316 -36.528 15.985 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.120 -36.920 16.064 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.315 -38.897 17.383 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.664 -39.887 16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.571 -40.176 17.695 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.868 -40.898 16.736 1.00 0.00 H new ATOM 314 N THR A 21 -11.541 -37.496 13.259 1.00 0.00 N ATOM 315 CA THR A 21 -11.049 -37.754 11.911 1.00 0.00 C ATOM 316 C THR A 21 -10.228 -36.579 11.391 1.00 0.00 C ATOM 317 O THR A 21 -10.590 -35.420 11.592 1.00 0.00 O ATOM 318 CB THR A 21 -12.207 -38.029 10.934 1.00 0.00 C ATOM 319 OG1 THR A 21 -11.877 -39.132 10.082 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.505 -36.800 10.088 1.00 0.00 C ATOM 0 H THR A 21 -12.274 -36.788 13.312 1.00 0.00 H new ATOM 0 HA THR A 21 -10.415 -38.639 11.970 1.00 0.00 H new ATOM 0 HB THR A 21 -13.095 -38.273 11.517 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.619 -39.302 9.465 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.326 -37.018 9.406 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.784 -35.970 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.619 -36.530 9.514 1.00 0.00 H new ATOM 328 N ARG A 22 -9.122 -36.887 10.722 1.00 0.00 N ATOM 329 CA ARG A 22 -8.250 -35.856 10.173 1.00 0.00 C ATOM 330 C ARG A 22 -8.454 -35.715 8.667 1.00 0.00 C ATOM 331 O ARG A 22 -8.300 -36.679 7.917 1.00 0.00 O ATOM 332 CB ARG A 22 -6.786 -36.184 10.471 1.00 0.00 C ATOM 333 CG ARG A 22 -5.799 -35.311 9.713 1.00 0.00 C ATOM 334 CD ARG A 22 -4.364 -35.617 10.112 1.00 0.00 C ATOM 335 NE ARG A 22 -3.710 -36.511 9.161 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.567 -37.141 9.410 1.00 0.00 C ATOM 337 NH1 ARG A 22 -1.955 -36.975 10.575 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.034 -37.939 8.494 1.00 0.00 N ATOM 0 H ARG A 22 -8.809 -37.842 10.547 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.507 -34.909 10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.608 -36.074 11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.599 -37.229 10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.921 -35.468 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.016 -34.261 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.801 -34.686 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.352 -36.071 11.103 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.155 -36.660 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.362 -36.363 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.078 -37.460 10.764 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.502 -38.070 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.156 -38.422 8.687 1.00 0.00 H new ATOM 352 N SER A 23 -8.803 -34.508 8.233 1.00 0.00 N ATOM 353 CA SER A 23 -9.034 -34.242 6.818 1.00 0.00 C ATOM 354 C SER A 23 -8.278 -32.995 6.369 1.00 0.00 C ATOM 355 O SER A 23 -8.232 -31.993 7.083 1.00 0.00 O ATOM 356 CB SER A 23 -10.529 -34.071 6.546 1.00 0.00 C ATOM 357 OG SER A 23 -11.215 -35.305 6.672 1.00 0.00 O ATOM 0 H SER A 23 -8.932 -33.699 8.841 1.00 0.00 H new ATOM 0 HA SER A 23 -8.664 -35.095 6.249 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.948 -33.346 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.676 -33.671 5.543 1.00 0.00 H new ATOM 0 HG SER A 23 -11.894 -35.231 7.375 1.00 0.00 H new ATOM 363 N SER A 24 -7.686 -33.065 5.181 1.00 0.00 N ATOM 364 CA SER A 24 -6.928 -31.944 4.638 1.00 0.00 C ATOM 365 C SER A 24 -7.814 -31.063 3.763 1.00 0.00 C ATOM 366 O SER A 24 -8.714 -31.552 3.078 1.00 0.00 O ATOM 367 CB SER A 24 -5.735 -32.453 3.826 1.00 0.00 C ATOM 368 OG SER A 24 -4.778 -33.079 4.663 1.00 0.00 O ATOM 0 H SER A 24 -7.717 -33.886 4.576 1.00 0.00 H new ATOM 0 HA SER A 24 -6.562 -31.346 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.080 -33.160 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.271 -31.621 3.296 1.00 0.00 H new ATOM 0 HG SER A 24 -4.027 -33.397 4.120 1.00 0.00 H new ATOM 374 N HIS A 25 -7.554 -29.759 3.790 1.00 0.00 N ATOM 375 CA HIS A 25 -8.327 -28.808 2.999 1.00 0.00 C ATOM 376 C HIS A 25 -7.439 -27.677 2.490 1.00 0.00 C ATOM 377 O HIS A 25 -6.592 -27.161 3.220 1.00 0.00 O ATOM 378 CB HIS A 25 -9.475 -28.236 3.831 1.00 0.00 C ATOM 379 CG HIS A 25 -10.124 -29.243 4.729 1.00 0.00 C ATOM 380 ND1 HIS A 25 -9.700 -29.800 5.888 1.00 0.00 N flip ATOM 381 CD2 HIS A 25 -11.361 -29.795 4.471 1.00 0.00 C flip ATOM 382 CE1 HIS A 25 -10.679 -30.667 6.305 1.00 0.00 C flip ATOM 383 NE2 HIS A 25 -11.671 -30.646 5.433 1.00 0.00 N flip ATOM 0 H HIS A 25 -6.814 -29.337 4.351 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.739 -29.337 2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.098 -27.411 4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.227 -27.821 3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.980 -29.567 3.616 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.644 -31.269 7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.530 -31.193 5.492 1.00 0.00 H new ATOM 391 N THR A 26 -7.637 -27.296 1.232 1.00 0.00 N ATOM 392 CA THR A 26 -6.854 -26.228 0.624 1.00 0.00 C ATOM 393 C THR A 26 -7.709 -24.990 0.378 1.00 0.00 C ATOM 394 O THR A 26 -8.715 -25.050 -0.328 1.00 0.00 O ATOM 395 CB THR A 26 -6.229 -26.679 -0.710 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.879 -28.066 -0.643 1.00 0.00 O ATOM 397 CG2 THR A 26 -4.992 -25.854 -1.034 1.00 0.00 C ATOM 0 H THR A 26 -8.334 -27.712 0.614 1.00 0.00 H new ATOM 0 HA THR A 26 -6.057 -25.982 1.326 1.00 0.00 H new ATOM 0 HB THR A 26 -6.965 -26.528 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.479 -28.583 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.568 -26.190 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.267 -24.802 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.254 -25.978 -0.241 1.00 0.00 H new ATOM 405 N MET A 27 -7.302 -23.869 0.964 1.00 0.00 N ATOM 406 CA MET A 27 -8.031 -22.616 0.807 1.00 0.00 C ATOM 407 C MET A 27 -7.073 -21.461 0.534 1.00 0.00 C ATOM 408 O MET A 27 -5.870 -21.571 0.769 1.00 0.00 O ATOM 409 CB MET A 27 -8.860 -22.323 2.059 1.00 0.00 C ATOM 410 CG MET A 27 -8.018 -21.986 3.279 1.00 0.00 C ATOM 411 SD MET A 27 -7.426 -23.455 4.141 1.00 0.00 S ATOM 412 CE MET A 27 -8.969 -24.149 4.727 1.00 0.00 C ATOM 0 H MET A 27 -6.471 -23.803 1.552 1.00 0.00 H new ATOM 0 HA MET A 27 -8.701 -22.718 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.534 -21.492 1.852 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.482 -23.190 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.165 -21.381 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.607 -21.379 3.966 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.801 -24.660 5.675 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.697 -23.350 4.869 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.350 -24.860 3.994 1.00 0.00 H new ATOM 422 N SER A 28 -7.615 -20.354 0.037 1.00 0.00 N ATOM 423 CA SER A 28 -6.808 -19.179 -0.272 1.00 0.00 C ATOM 424 C SER A 28 -6.128 -18.643 0.984 1.00 0.00 C ATOM 425 O SER A 28 -6.785 -18.339 1.979 1.00 0.00 O ATOM 426 CB SER A 28 -7.676 -18.088 -0.901 1.00 0.00 C ATOM 427 OG SER A 28 -7.225 -16.798 -0.527 1.00 0.00 O ATOM 0 H SER A 28 -8.610 -20.246 -0.160 1.00 0.00 H new ATOM 0 HA SER A 28 -6.038 -19.475 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.655 -18.183 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.712 -18.219 -0.589 1.00 0.00 H new ATOM 0 HG SER A 28 -7.795 -16.119 -0.943 1.00 0.00 H new ATOM 433 N LYS A 29 -4.805 -18.529 0.930 1.00 0.00 N ATOM 434 CA LYS A 29 -4.033 -18.028 2.060 1.00 0.00 C ATOM 435 C LYS A 29 -4.429 -16.594 2.397 1.00 0.00 C ATOM 436 O LYS A 29 -4.377 -16.183 3.556 1.00 0.00 O ATOM 437 CB LYS A 29 -2.535 -18.095 1.752 1.00 0.00 C ATOM 438 CG LYS A 29 -2.061 -17.012 0.798 1.00 0.00 C ATOM 439 CD LYS A 29 -1.560 -15.790 1.548 1.00 0.00 C ATOM 440 CE LYS A 29 -0.064 -15.871 1.811 1.00 0.00 C ATOM 441 NZ LYS A 29 0.482 -14.581 2.314 1.00 0.00 N ATOM 0 H LYS A 29 -4.245 -18.777 0.114 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.249 -18.659 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.977 -18.015 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.304 -19.071 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.264 -17.405 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.879 -16.725 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.781 -14.892 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.092 -15.699 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.134 -16.658 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.452 -16.150 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.504 -14.678 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.316 -13.835 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.008 -14.327 3.205 1.00 0.00 H new ATOM 455 N GLN A 30 -4.825 -15.839 1.378 1.00 0.00 N ATOM 456 CA GLN A 30 -5.230 -14.451 1.567 1.00 0.00 C ATOM 457 C GLN A 30 -6.544 -14.368 2.338 1.00 0.00 C ATOM 458 O GLN A 30 -6.702 -13.532 3.227 1.00 0.00 O ATOM 459 CB GLN A 30 -5.373 -13.750 0.216 1.00 0.00 C ATOM 460 CG GLN A 30 -5.089 -12.258 0.271 1.00 0.00 C ATOM 461 CD GLN A 30 -6.354 -11.422 0.263 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.061 -11.355 -0.743 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.647 -10.780 1.388 1.00 0.00 N ATOM 0 H GLN A 30 -4.874 -16.165 0.413 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.456 -13.949 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.693 -14.215 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.385 -13.905 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.516 -12.034 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.468 -11.979 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.033 -10.864 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.486 -10.203 1.442 1.00 0.00 H new ATOM 472 N ALA A 31 -7.484 -15.241 1.990 1.00 0.00 N ATOM 473 CA ALA A 31 -8.783 -15.268 2.650 1.00 0.00 C ATOM 474 C ALA A 31 -8.672 -15.843 4.058 1.00 0.00 C ATOM 475 O ALA A 31 -9.398 -15.435 4.965 1.00 0.00 O ATOM 476 CB ALA A 31 -9.778 -16.072 1.826 1.00 0.00 C ATOM 0 H ALA A 31 -7.370 -15.939 1.255 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.142 -14.242 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.744 -16.083 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.889 -15.616 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.415 -17.094 1.713 1.00 0.00 H new ATOM 482 N TYR A 32 -7.761 -16.794 4.233 1.00 0.00 N ATOM 483 CA TYR A 32 -7.558 -17.428 5.530 1.00 0.00 C ATOM 484 C TYR A 32 -6.811 -16.497 6.480 1.00 0.00 C ATOM 485 O TYR A 32 -7.208 -16.318 7.631 1.00 0.00 O ATOM 486 CB TYR A 32 -6.783 -18.736 5.366 1.00 0.00 C ATOM 487 CG TYR A 32 -6.390 -19.376 6.678 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.221 -19.005 7.331 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.186 -20.352 7.264 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.857 -19.587 8.530 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.831 -20.938 8.464 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.666 -20.553 9.093 1.00 0.00 C ATOM 493 OH TYR A 32 -5.307 -21.136 10.286 1.00 0.00 O ATOM 0 H TYR A 32 -7.152 -17.143 3.493 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.537 -17.645 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.390 -19.439 4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.883 -18.545 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.586 -18.249 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.098 -20.658 6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.944 -19.288 9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.463 -21.694 8.907 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.985 -21.795 10.545 1.00 0.00 H new ATOM 503 N GLU A 33 -5.725 -15.907 5.989 1.00 0.00 N ATOM 504 CA GLU A 33 -4.922 -14.995 6.794 1.00 0.00 C ATOM 505 C GLU A 33 -5.632 -13.656 6.971 1.00 0.00 C ATOM 506 O GLU A 33 -5.500 -13.002 8.005 1.00 0.00 O ATOM 507 CB GLU A 33 -3.553 -14.777 6.144 1.00 0.00 C ATOM 508 CG GLU A 33 -2.601 -15.947 6.325 1.00 0.00 C ATOM 509 CD GLU A 33 -1.146 -15.542 6.185 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.887 -14.399 5.757 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.267 -16.370 6.504 1.00 0.00 O ATOM 0 H GLU A 33 -5.382 -16.045 5.038 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.783 -15.445 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.691 -14.593 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.098 -13.881 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.758 -16.390 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.833 -16.716 5.589 1.00 0.00 H new ATOM 518 N LYS A 34 -6.385 -13.253 5.953 1.00 0.00 N ATOM 519 CA LYS A 34 -7.117 -11.993 5.994 1.00 0.00 C ATOM 520 C LYS A 34 -8.548 -12.179 5.498 1.00 0.00 C ATOM 521 O LYS A 34 -8.893 -11.757 4.396 1.00 0.00 O ATOM 522 CB LYS A 34 -6.405 -10.938 5.144 1.00 0.00 C ATOM 523 CG LYS A 34 -4.956 -10.715 5.540 1.00 0.00 C ATOM 524 CD LYS A 34 -4.826 -9.617 6.583 1.00 0.00 C ATOM 525 CE LYS A 34 -4.805 -10.188 7.992 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.259 -9.213 8.977 1.00 0.00 N ATOM 0 H LYS A 34 -6.504 -13.782 5.089 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.151 -11.655 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.445 -11.240 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.944 -9.994 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.538 -11.642 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.373 -10.451 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.912 -9.051 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.658 -8.919 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.816 -10.472 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.202 -11.096 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.261 -9.640 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.285 -8.961 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.849 -8.357 8.981 1.00 0.00 H new ATOM 540 N GLY A 35 -9.377 -12.814 6.322 1.00 0.00 N ATOM 541 CA GLY A 35 -10.761 -13.043 5.950 1.00 0.00 C ATOM 542 C GLY A 35 -11.341 -14.279 6.609 1.00 0.00 C ATOM 543 O GLY A 35 -10.682 -14.925 7.424 1.00 0.00 O ATOM 0 H GLY A 35 -9.115 -13.174 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.357 -12.174 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.831 -13.146 4.867 1.00 0.00 H new ATOM 547 N THR A 36 -12.580 -14.608 6.257 1.00 0.00 N ATOM 548 CA THR A 36 -13.250 -15.773 6.821 1.00 0.00 C ATOM 549 C THR A 36 -13.092 -16.990 5.917 1.00 0.00 C ATOM 550 O THR A 36 -13.173 -16.882 4.693 1.00 0.00 O ATOM 551 CB THR A 36 -14.751 -15.505 7.043 1.00 0.00 C ATOM 552 OG1 THR A 36 -14.940 -14.188 7.573 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.349 -16.530 7.995 1.00 0.00 C ATOM 0 H THR A 36 -13.140 -14.084 5.584 1.00 0.00 H new ATOM 0 HA THR A 36 -12.778 -15.974 7.782 1.00 0.00 H new ATOM 0 HB THR A 36 -15.258 -15.586 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.520 -14.233 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.409 -16.320 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.229 -17.529 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.837 -16.476 8.956 1.00 0.00 H new ATOM 561 N VAL A 37 -12.866 -18.149 6.527 1.00 0.00 N ATOM 562 CA VAL A 37 -12.698 -19.388 5.777 1.00 0.00 C ATOM 563 C VAL A 37 -13.427 -20.544 6.453 1.00 0.00 C ATOM 564 O VAL A 37 -13.289 -20.759 7.658 1.00 0.00 O ATOM 565 CB VAL A 37 -11.210 -19.754 5.624 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.535 -18.837 4.615 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.505 -19.690 6.970 1.00 0.00 C ATOM 0 H VAL A 37 -12.795 -18.256 7.539 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.127 -19.220 4.789 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.142 -20.776 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.484 -19.111 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.025 -18.938 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.612 -17.804 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.454 -19.952 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.581 -18.680 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.973 -20.392 7.660 1.00 0.00 H new ATOM 577 N LEU A 38 -14.204 -21.285 5.671 1.00 0.00 N ATOM 578 CA LEU A 38 -14.956 -22.420 6.194 1.00 0.00 C ATOM 579 C LEU A 38 -14.568 -23.708 5.474 1.00 0.00 C ATOM 580 O LEU A 38 -14.321 -23.706 4.268 1.00 0.00 O ATOM 581 CB LEU A 38 -16.459 -22.173 6.047 1.00 0.00 C ATOM 582 CG LEU A 38 -17.032 -21.016 6.866 1.00 0.00 C ATOM 583 CD1 LEU A 38 -18.024 -20.215 6.037 1.00 0.00 C ATOM 584 CD2 LEU A 38 -17.691 -21.536 8.135 1.00 0.00 C ATOM 0 H LEU A 38 -14.330 -21.120 4.672 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.714 -22.529 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.676 -21.989 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.986 -23.085 6.326 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.212 -20.356 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.421 -19.396 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.521 -19.811 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.841 -20.863 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.093 -20.699 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.500 -22.218 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.953 -22.065 8.738 1.00 0.00 H new ATOM 596 N ILE A 39 -14.519 -24.806 6.222 1.00 0.00 N ATOM 597 CA ILE A 39 -14.165 -26.101 5.654 1.00 0.00 C ATOM 598 C ILE A 39 -15.080 -27.201 6.182 1.00 0.00 C ATOM 599 O ILE A 39 -15.373 -27.259 7.376 1.00 0.00 O ATOM 600 CB ILE A 39 -12.703 -26.471 5.965 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.399 -26.235 7.446 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.755 -25.666 5.089 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.299 -27.122 7.986 1.00 0.00 C ATOM 0 H ILE A 39 -14.720 -24.824 7.222 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.288 -26.017 4.574 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.557 -27.529 5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.117 -25.192 7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.307 -26.402 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.725 -25.939 5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.960 -25.879 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.900 -24.602 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.137 -26.900 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.587 -28.167 7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.379 -26.939 7.431 1.00 0.00 H new ATOM 615 N SER A 40 -15.527 -28.073 5.283 1.00 0.00 N ATOM 616 CA SER A 40 -16.410 -29.171 5.658 1.00 0.00 C ATOM 617 C SER A 40 -15.617 -30.457 5.871 1.00 0.00 C ATOM 618 O SER A 40 -14.789 -30.833 5.041 1.00 0.00 O ATOM 619 CB SER A 40 -17.475 -29.387 4.581 1.00 0.00 C ATOM 620 OG SER A 40 -17.147 -30.491 3.755 1.00 0.00 O ATOM 0 H SER A 40 -15.292 -28.040 4.291 1.00 0.00 H new ATOM 0 HA SER A 40 -16.900 -28.907 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.444 -29.556 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.569 -28.488 3.972 1.00 0.00 H new ATOM 0 HG SER A 40 -17.843 -30.610 3.076 1.00 0.00 H new ATOM 626 N CYS A 41 -15.878 -31.126 6.988 1.00 0.00 N ATOM 627 CA CYS A 41 -15.189 -32.371 7.312 1.00 0.00 C ATOM 628 C CYS A 41 -15.898 -33.565 6.683 1.00 0.00 C ATOM 629 O CYS A 41 -17.047 -33.874 7.001 1.00 0.00 O ATOM 630 CB CYS A 41 -15.106 -32.552 8.829 1.00 0.00 C ATOM 631 SG CYS A 41 -14.489 -34.171 9.346 1.00 0.00 S ATOM 0 H CYS A 41 -16.561 -30.828 7.685 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.180 -32.316 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.457 -31.779 9.241 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.097 -32.399 9.257 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.651 -34.308 10.629 1.00 0.00 H new ATOM 636 N PRO A 42 -15.201 -34.253 5.767 1.00 0.00 N ATOM 637 CA PRO A 42 -15.745 -35.424 5.073 1.00 0.00 C ATOM 638 C PRO A 42 -15.902 -36.625 5.998 1.00 0.00 C ATOM 639 O PRO A 42 -15.194 -37.624 5.862 1.00 0.00 O ATOM 640 CB PRO A 42 -14.699 -35.714 3.993 1.00 0.00 C ATOM 641 CG PRO A 42 -13.431 -35.147 4.532 1.00 0.00 C ATOM 642 CD PRO A 42 -13.827 -33.941 5.339 1.00 0.00 C ATOM 0 HA PRO A 42 -16.744 -35.236 4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.607 -36.784 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.969 -35.249 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.909 -35.877 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.753 -34.871 3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.164 -33.793 6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.789 -33.029 4.744 1.00 0.00 H new ATOM 650 N HIS A 43 -16.834 -36.523 6.940 1.00 0.00 N ATOM 651 CA HIS A 43 -17.085 -37.603 7.888 1.00 0.00 C ATOM 652 C HIS A 43 -18.316 -37.304 8.739 1.00 0.00 C ATOM 653 O HIS A 43 -19.105 -38.200 9.043 1.00 0.00 O ATOM 654 CB HIS A 43 -15.867 -37.813 8.788 1.00 0.00 C ATOM 655 CG HIS A 43 -15.855 -39.141 9.480 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.089 -40.205 9.052 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.519 -39.575 10.576 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.284 -41.236 9.854 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.148 -40.880 10.788 1.00 0.00 N ATOM 0 H HIS A 43 -17.428 -35.704 7.067 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.270 -38.515 7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.962 -37.717 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.839 -37.022 9.537 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.212 -39.001 11.173 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -14.817 -42.205 9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.485 -41.477 11.543 1.00 0.00 H new ATOM 667 N CYS A 44 -18.472 -36.042 9.121 1.00 0.00 N ATOM 668 CA CYS A 44 -19.606 -35.625 9.939 1.00 0.00 C ATOM 669 C CYS A 44 -20.490 -34.639 9.181 1.00 0.00 C ATOM 670 O CYS A 44 -21.534 -34.216 9.677 1.00 0.00 O ATOM 671 CB CYS A 44 -19.117 -34.993 11.242 1.00 0.00 C ATOM 672 SG CYS A 44 -17.826 -33.746 11.019 1.00 0.00 S ATOM 0 H CYS A 44 -17.828 -35.289 8.878 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.198 -36.510 10.173 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.965 -34.536 11.752 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.739 -35.779 11.895 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.824 -34.269 10.376 1.00 0.00 H new ATOM 677 N LYS A 45 -20.063 -34.275 7.976 1.00 0.00 N ATOM 678 CA LYS A 45 -20.814 -33.339 7.149 1.00 0.00 C ATOM 679 C LYS A 45 -21.173 -32.083 7.937 1.00 0.00 C ATOM 680 O LYS A 45 -22.259 -31.986 8.508 1.00 0.00 O ATOM 681 CB LYS A 45 -22.087 -34.002 6.618 1.00 0.00 C ATOM 682 CG LYS A 45 -22.669 -33.311 5.397 1.00 0.00 C ATOM 683 CD LYS A 45 -24.152 -33.605 5.245 1.00 0.00 C ATOM 684 CE LYS A 45 -24.995 -32.688 6.118 1.00 0.00 C ATOM 685 NZ LYS A 45 -26.434 -32.727 5.737 1.00 0.00 N ATOM 0 H LYS A 45 -19.200 -34.615 7.551 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.184 -33.051 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.869 -35.040 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.837 -34.016 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.517 -32.235 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.138 -33.640 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.443 -33.484 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.347 -34.644 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.888 -32.982 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.625 -31.666 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.974 -32.089 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.540 -32.423 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.794 -33.697 5.841 1.00 0.00 H new ATOM 699 N VAL A 46 -20.254 -31.123 7.963 1.00 0.00 N ATOM 700 CA VAL A 46 -20.475 -29.872 8.679 1.00 0.00 C ATOM 701 C VAL A 46 -19.324 -28.899 8.454 1.00 0.00 C ATOM 702 O VAL A 46 -18.158 -29.293 8.441 1.00 0.00 O ATOM 703 CB VAL A 46 -20.640 -30.113 10.192 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.323 -30.560 10.808 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.161 -28.859 10.877 1.00 0.00 C ATOM 0 H VAL A 46 -19.349 -31.188 7.496 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.395 -29.440 8.284 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.370 -30.909 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.459 -30.725 11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.997 -31.487 10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.569 -29.789 10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.272 -29.047 11.945 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.457 -28.041 10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.129 -28.589 10.454 1.00 0.00 H new ATOM 715 N ARG A 47 -19.660 -27.625 8.275 1.00 0.00 N ATOM 716 CA ARG A 47 -18.654 -26.595 8.049 1.00 0.00 C ATOM 717 C ARG A 47 -18.221 -25.959 9.367 1.00 0.00 C ATOM 718 O ARG A 47 -19.055 -25.537 10.168 1.00 0.00 O ATOM 719 CB ARG A 47 -19.197 -25.520 7.106 1.00 0.00 C ATOM 720 CG ARG A 47 -19.868 -26.082 5.863 1.00 0.00 C ATOM 721 CD ARG A 47 -19.345 -25.418 4.599 1.00 0.00 C ATOM 722 NE ARG A 47 -20.155 -25.752 3.430 1.00 0.00 N ATOM 723 CZ ARG A 47 -20.127 -25.062 2.296 1.00 0.00 C ATOM 724 NH1 ARG A 47 -19.334 -24.006 2.177 1.00 0.00 N ATOM 725 NH2 ARG A 47 -20.894 -25.428 1.276 1.00 0.00 N ATOM 0 H ARG A 47 -20.621 -27.282 8.282 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.785 -27.066 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.913 -24.902 7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.378 -24.867 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.695 -27.157 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.946 -25.936 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.334 -24.337 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.314 -25.728 4.426 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.776 -26.559 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.743 -23.721 2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.315 -23.478 1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.505 -26.240 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.872 -24.897 0.405 1.00 0.00 H new ATOM 739 N HIS A 48 -16.911 -25.894 9.584 1.00 0.00 N ATOM 740 CA HIS A 48 -16.367 -25.310 10.805 1.00 0.00 C ATOM 741 C HIS A 48 -15.511 -24.087 10.487 1.00 0.00 C ATOM 742 O HIS A 48 -14.898 -24.006 9.422 1.00 0.00 O ATOM 743 CB HIS A 48 -15.537 -26.345 11.565 1.00 0.00 C ATOM 744 CG HIS A 48 -15.393 -27.647 10.839 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.300 -28.679 10.957 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.440 -28.081 9.982 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.910 -29.692 10.204 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.785 -29.355 9.601 1.00 0.00 N ATOM 0 H HIS A 48 -16.207 -26.238 8.931 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.202 -24.995 11.431 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.546 -25.934 11.757 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.999 -26.528 12.535 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.140 -28.663 11.535 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.570 -27.529 9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.424 -30.636 10.099 1.00 0.00 H new ATOM 756 N LEU A 49 -15.474 -23.139 11.417 1.00 0.00 N ATOM 757 CA LEU A 49 -14.693 -21.920 11.236 1.00 0.00 C ATOM 758 C LEU A 49 -13.248 -22.128 11.678 1.00 0.00 C ATOM 759 O LEU A 49 -12.989 -22.696 12.740 1.00 0.00 O ATOM 760 CB LEU A 49 -15.319 -20.769 12.025 1.00 0.00 C ATOM 761 CG LEU A 49 -14.927 -19.359 11.580 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.218 -19.167 10.099 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.660 -18.315 12.409 1.00 0.00 C ATOM 0 H LEU A 49 -15.975 -23.191 12.304 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.696 -21.670 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.403 -20.860 11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.049 -20.885 13.075 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.856 -19.233 11.739 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.933 -18.158 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.647 -19.892 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.283 -19.313 9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.369 -17.318 12.079 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.735 -18.440 12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.402 -18.438 13.461 1.00 0.00 H new ATOM 775 N ILE A 50 -12.311 -21.663 10.858 1.00 0.00 N ATOM 776 CA ILE A 50 -10.893 -21.796 11.167 1.00 0.00 C ATOM 777 C ILE A 50 -10.253 -20.433 11.409 1.00 0.00 C ATOM 778 O ILE A 50 -9.677 -20.185 12.468 1.00 0.00 O ATOM 779 CB ILE A 50 -10.135 -22.512 10.033 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.010 -22.601 8.782 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.700 -23.899 10.481 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.299 -23.200 7.588 1.00 0.00 C ATOM 0 H ILE A 50 -12.508 -21.191 9.975 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.822 -22.394 12.075 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.244 -21.933 9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.892 -23.200 9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.361 -21.602 8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.166 -24.393 9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.044 -23.813 11.347 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.578 -24.487 10.748 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.980 -23.232 6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.432 -22.589 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.972 -24.211 7.829 1.00 0.00 H new ATOM 794 N ALA A 51 -10.361 -19.551 10.420 1.00 0.00 N ATOM 795 CA ALA A 51 -9.797 -18.211 10.527 1.00 0.00 C ATOM 796 C ALA A 51 -10.889 -17.149 10.463 1.00 0.00 C ATOM 797 O ALA A 51 -11.385 -16.819 9.386 1.00 0.00 O ATOM 798 CB ALA A 51 -8.770 -17.982 9.428 1.00 0.00 C ATOM 0 H ALA A 51 -10.834 -19.741 9.536 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.302 -18.128 11.495 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.357 -16.978 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.968 -18.714 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.249 -18.090 8.455 1.00 0.00 H new ATOM 804 N ASP A 52 -11.259 -16.618 11.623 1.00 0.00 N ATOM 805 CA ASP A 52 -12.293 -15.592 11.699 1.00 0.00 C ATOM 806 C ASP A 52 -11.678 -14.197 11.660 1.00 0.00 C ATOM 807 O ASP A 52 -11.025 -13.767 12.611 1.00 0.00 O ATOM 808 CB ASP A 52 -13.118 -15.763 12.975 1.00 0.00 C ATOM 809 CG ASP A 52 -12.253 -15.995 14.198 1.00 0.00 C ATOM 810 OD1 ASP A 52 -11.872 -17.159 14.444 1.00 0.00 O ATOM 811 OD2 ASP A 52 -11.955 -15.012 14.909 1.00 0.00 O ATOM 0 H ASP A 52 -10.859 -16.881 12.524 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.947 -15.706 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.730 -14.875 13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.801 -16.603 12.852 1.00 0.00 H new ATOM 816 N HIS A 53 -11.890 -13.493 10.552 1.00 0.00 N ATOM 817 CA HIS A 53 -11.356 -12.146 10.388 1.00 0.00 C ATOM 818 C HIS A 53 -12.474 -11.149 10.099 1.00 0.00 C ATOM 819 O HIS A 53 -12.400 -9.985 10.496 1.00 0.00 O ATOM 820 CB HIS A 53 -10.326 -12.116 9.258 1.00 0.00 C ATOM 821 CG HIS A 53 -8.910 -12.055 9.739 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.279 -10.875 10.074 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.000 -13.036 9.944 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.043 -11.133 10.461 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.849 -12.437 10.392 1.00 0.00 N ATOM 0 H HIS A 53 -12.428 -13.833 9.755 1.00 0.00 H new ATOM 0 HA HIS A 53 -10.870 -11.860 11.321 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.453 -13.004 8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.522 -11.253 8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.151 -14.093 9.785 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.315 -10.402 10.780 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.984 -12.921 10.633 1.00 0.00 H new ATOM 833 N LEU A 54 -13.509 -11.613 9.407 1.00 0.00 N ATOM 834 CA LEU A 54 -14.643 -10.762 9.064 1.00 0.00 C ATOM 835 C LEU A 54 -15.704 -10.802 10.159 1.00 0.00 C ATOM 836 O LEU A 54 -16.668 -10.037 10.133 1.00 0.00 O ATOM 837 CB LEU A 54 -15.252 -11.202 7.732 1.00 0.00 C ATOM 838 CG LEU A 54 -14.260 -11.512 6.610 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.996 -11.820 5.316 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.296 -10.351 6.415 1.00 0.00 C ATOM 0 H LEU A 54 -13.586 -12.574 9.073 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.282 -9.738 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.859 -12.090 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.926 -10.418 7.387 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.684 -12.393 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.274 -12.038 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.644 -12.684 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.599 -10.959 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.597 -10.589 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.856 -9.453 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.743 -10.178 7.338 1.00 0.00 H new ATOM 852 N LYS A 55 -15.519 -11.698 11.122 1.00 0.00 N ATOM 853 CA LYS A 55 -16.458 -11.837 12.230 1.00 0.00 C ATOM 854 C LYS A 55 -17.895 -11.886 11.721 1.00 0.00 C ATOM 855 O LYS A 55 -18.750 -11.125 12.175 1.00 0.00 O ATOM 856 CB LYS A 55 -16.293 -10.676 13.213 1.00 0.00 C ATOM 857 CG LYS A 55 -15.007 -10.739 14.019 1.00 0.00 C ATOM 858 CD LYS A 55 -15.008 -9.726 15.152 1.00 0.00 C ATOM 859 CE LYS A 55 -14.543 -8.358 14.677 1.00 0.00 C ATOM 860 NZ LYS A 55 -15.633 -7.609 13.993 1.00 0.00 N ATOM 0 H LYS A 55 -14.727 -12.340 11.158 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.241 -12.774 12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.320 -9.737 12.661 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.141 -10.668 13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.881 -11.742 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.156 -10.552 13.364 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.012 -9.646 15.569 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.357 -10.075 15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.184 -7.780 15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.701 -8.477 13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.542 -6.595 14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.565 -7.757 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.555 -7.951 14.331 1.00 0.00 H new ATOM 874 N ILE A 56 -18.154 -12.787 10.779 1.00 0.00 N ATOM 875 CA ILE A 56 -19.488 -12.937 10.213 1.00 0.00 C ATOM 876 C ILE A 56 -20.420 -13.654 11.183 1.00 0.00 C ATOM 877 O ILE A 56 -21.528 -13.190 11.455 1.00 0.00 O ATOM 878 CB ILE A 56 -19.452 -13.715 8.884 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.363 -13.152 7.968 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.809 -13.658 8.199 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.214 -13.911 6.669 1.00 0.00 C ATOM 0 H ILE A 56 -17.457 -13.424 10.392 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.866 -11.932 10.026 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.218 -14.758 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.590 -12.109 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.411 -13.165 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.767 -14.212 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.564 -14.101 8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.070 -12.620 7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.425 -13.456 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.956 -14.949 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.153 -13.876 6.117 1.00 0.00 H new ATOM 893 N PHE A 57 -19.964 -14.789 11.704 1.00 0.00 N ATOM 894 CA PHE A 57 -20.757 -15.571 12.645 1.00 0.00 C ATOM 895 C PHE A 57 -20.673 -14.979 14.050 1.00 0.00 C ATOM 896 O PHE A 57 -21.391 -15.400 14.957 1.00 0.00 O ATOM 897 CB PHE A 57 -20.279 -17.024 12.663 1.00 0.00 C ATOM 898 CG PHE A 57 -20.165 -17.634 11.295 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.297 -17.876 10.533 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.926 -17.965 10.771 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.195 -18.437 9.274 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.818 -18.527 9.512 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.953 -18.762 8.763 1.00 0.00 C ATOM 0 H PHE A 57 -19.050 -15.187 11.490 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.796 -15.542 12.318 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.308 -17.073 13.156 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.970 -17.618 13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.270 -17.623 10.928 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.034 -17.782 11.352 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.085 -18.621 8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.846 -18.782 9.115 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.871 -19.199 7.779 1.00 0.00 H new ATOM 913 N HIS A 58 -19.790 -14.001 14.221 1.00 0.00 N ATOM 914 CA HIS A 58 -19.611 -13.350 15.515 1.00 0.00 C ATOM 915 C HIS A 58 -20.925 -12.752 16.008 1.00 0.00 C ATOM 916 O HIS A 58 -21.190 -12.719 17.210 1.00 0.00 O ATOM 917 CB HIS A 58 -18.545 -12.259 15.417 1.00 0.00 C ATOM 918 CG HIS A 58 -17.997 -11.836 16.746 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.261 -10.606 17.311 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.198 -12.488 17.622 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.646 -10.520 18.477 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.994 -11.649 18.689 1.00 0.00 N ATOM 0 H HIS A 58 -19.187 -13.641 13.481 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.284 -14.103 16.232 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.726 -12.617 14.793 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.971 -11.390 14.916 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -16.796 -13.483 17.504 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.672 -9.671 19.144 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.430 -11.863 19.512 1.00 0.00 H new ATOM 930 N ASP A 59 -21.742 -12.280 15.073 1.00 0.00 N ATOM 931 CA ASP A 59 -23.029 -11.683 15.413 1.00 0.00 C ATOM 932 C ASP A 59 -24.123 -12.744 15.468 1.00 0.00 C ATOM 933 O ASP A 59 -25.307 -12.425 15.582 1.00 0.00 O ATOM 934 CB ASP A 59 -23.398 -10.603 14.395 1.00 0.00 C ATOM 935 CG ASP A 59 -22.179 -9.940 13.786 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.666 -10.459 12.773 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.737 -8.902 14.323 1.00 0.00 O ATOM 0 H ASP A 59 -21.536 -12.299 14.074 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.942 -11.227 16.399 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.001 -11.046 13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.015 -9.847 14.880 1.00 0.00 H new ATOM 942 N HIS A 60 -23.719 -14.008 15.383 1.00 0.00 N ATOM 943 CA HIS A 60 -24.666 -15.117 15.423 1.00 0.00 C ATOM 944 C HIS A 60 -25.987 -14.728 14.765 1.00 0.00 C ATOM 945 O HIS A 60 -27.059 -14.923 15.339 1.00 0.00 O ATOM 946 CB HIS A 60 -24.911 -15.555 16.867 1.00 0.00 C ATOM 947 CG HIS A 60 -25.155 -14.414 17.806 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.227 -13.600 17.950 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.230 -13.996 18.739 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.933 -12.716 18.959 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.723 -12.976 19.418 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.743 -14.289 15.286 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.235 -15.950 14.867 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.769 -16.227 16.894 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.050 -16.124 17.216 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.255 -14.434 18.891 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.586 -11.935 19.319 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.249 -12.474 20.169 1.00 0.00 H new ATOM 959 N HIS A 61 -25.901 -14.175 13.559 1.00 0.00 N ATOM 960 CA HIS A 61 -27.090 -13.758 12.824 1.00 0.00 C ATOM 961 C HIS A 61 -27.011 -14.202 11.366 1.00 0.00 C ATOM 962 O HIS A 61 -27.844 -13.821 10.544 1.00 0.00 O ATOM 963 CB HIS A 61 -27.255 -12.240 12.898 1.00 0.00 C ATOM 964 CG HIS A 61 -28.283 -11.797 13.893 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.331 -11.936 15.239 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.433 -11.124 13.538 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.496 -11.350 15.668 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.142 -10.866 14.622 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.022 -14.005 13.071 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.956 -14.233 13.284 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.296 -11.791 13.155 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.530 -11.864 11.912 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -27.632 -12.391 15.825 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -29.711 -10.851 12.531 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.830 -11.294 16.693 1.00 0.00 H new ATOM 976 N VAL A 62 -26.002 -15.009 11.052 1.00 0.00 N ATOM 977 CA VAL A 62 -25.814 -15.506 9.694 1.00 0.00 C ATOM 978 C VAL A 62 -25.476 -16.992 9.695 1.00 0.00 C ATOM 979 O VAL A 62 -24.622 -17.447 10.456 1.00 0.00 O ATOM 980 CB VAL A 62 -24.697 -14.736 8.966 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.355 -14.974 9.642 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.642 -15.139 7.499 1.00 0.00 C ATOM 0 H VAL A 62 -25.302 -15.332 11.720 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.755 -15.352 9.166 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.920 -13.670 9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.578 -14.422 9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.403 -14.633 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.121 -16.038 9.622 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.847 -14.585 6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.443 -16.208 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.596 -14.913 7.023 1.00 0.00 H new ATOM 992 N THR A 63 -26.153 -17.747 8.834 1.00 0.00 N ATOM 993 CA THR A 63 -25.925 -19.183 8.735 1.00 0.00 C ATOM 994 C THR A 63 -25.068 -19.522 7.520 1.00 0.00 C ATOM 995 O THR A 63 -24.863 -18.685 6.640 1.00 0.00 O ATOM 996 CB THR A 63 -27.253 -19.958 8.643 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.998 -21.367 8.615 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.031 -19.553 7.401 1.00 0.00 C ATOM 0 H THR A 63 -26.863 -17.387 8.196 1.00 0.00 H new ATOM 0 HA THR A 63 -25.400 -19.482 9.642 1.00 0.00 H new ATOM 0 HB THR A 63 -27.851 -19.716 9.522 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.355 -21.748 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.965 -20.114 7.358 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.250 -18.486 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.437 -19.769 6.513 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.570 -20.753 7.477 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.736 -21.203 6.369 1.00 0.00 C ATOM 1008 C VAL A 64 -24.457 -21.033 5.036 1.00 0.00 C ATOM 1009 O VAL A 64 -23.847 -20.662 4.033 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.329 -22.679 6.535 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.468 -23.131 5.365 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.600 -22.884 7.855 1.00 0.00 C ATOM 0 H VAL A 64 -24.730 -21.457 8.197 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.839 -20.584 6.376 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.233 -23.288 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.190 -24.176 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.029 -23.022 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.567 -22.519 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.319 -23.932 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.703 -22.265 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.255 -22.602 8.680 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.757 -21.307 5.033 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.560 -21.185 3.822 1.00 0.00 C ATOM 1024 C GLU A 65 -26.629 -19.732 3.359 1.00 0.00 C ATOM 1025 O GLU A 65 -26.602 -19.451 2.161 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.973 -21.722 4.064 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.022 -23.223 4.296 1.00 0.00 C ATOM 1028 CD GLU A 65 -27.572 -23.612 5.691 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -27.867 -22.859 6.642 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -26.924 -24.671 5.830 1.00 0.00 O ATOM 0 H GLU A 65 -26.277 -21.615 5.855 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.083 -21.776 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.402 -21.215 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.598 -21.475 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -29.039 -23.579 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.389 -23.721 3.562 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.718 -18.816 4.317 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.792 -17.393 4.008 1.00 0.00 C ATOM 1039 C GLN A 66 -25.522 -16.921 3.308 1.00 0.00 C ATOM 1040 O GLN A 66 -25.580 -16.193 2.316 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.016 -16.582 5.286 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.483 -16.364 5.619 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.691 -15.263 6.641 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.192 -15.507 7.739 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.308 -14.043 6.284 1.00 0.00 N ATOM 0 H GLN A 66 -26.741 -19.033 5.313 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.635 -17.237 3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.535 -17.093 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.528 -15.613 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -29.026 -16.116 4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.907 -17.293 6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -27.897 -13.886 5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.424 -13.262 6.930 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.374 -17.339 3.831 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.088 -16.959 3.257 1.00 0.00 C ATOM 1056 C LEU A 67 -22.989 -17.405 1.802 1.00 0.00 C ATOM 1057 O LEU A 67 -22.422 -16.702 0.965 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.945 -17.570 4.068 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.382 -16.702 5.194 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -22.037 -17.057 6.520 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.871 -16.859 5.285 1.00 0.00 C ATOM 0 H LEU A 67 -24.308 -17.941 4.652 1.00 0.00 H new ATOM 0 HA LEU A 67 -23.009 -15.872 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.293 -18.508 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.132 -17.816 3.385 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.606 -15.659 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.624 -16.429 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.112 -16.892 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.845 -18.105 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.488 -16.234 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.625 -17.902 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.416 -16.554 4.343 1.00 0.00 H new ATOM 1073 N MET A 68 -23.546 -18.575 1.507 1.00 0.00 N ATOM 1074 CA MET A 68 -23.523 -19.112 0.151 1.00 0.00 C ATOM 1075 C MET A 68 -24.435 -18.307 -0.768 1.00 0.00 C ATOM 1076 O MET A 68 -24.103 -18.058 -1.927 1.00 0.00 O ATOM 1077 CB MET A 68 -23.950 -20.581 0.155 1.00 0.00 C ATOM 1078 CG MET A 68 -22.918 -21.513 0.769 1.00 0.00 C ATOM 1079 SD MET A 68 -22.970 -23.170 0.061 1.00 0.00 S ATOM 1080 CE MET A 68 -24.578 -23.728 0.619 1.00 0.00 C ATOM 0 H MET A 68 -24.019 -19.169 2.188 1.00 0.00 H new ATOM 0 HA MET A 68 -22.503 -19.039 -0.225 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.886 -20.677 0.704 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.148 -20.896 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.923 -21.092 0.625 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.085 -21.576 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.742 -24.754 0.290 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.621 -23.685 1.707 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.352 -23.085 0.200 1.00 0.00 H new ATOM 1254 N ASP A 81 -15.849 -26.323 0.893 1.00 0.00 N ATOM 1255 CA ASP A 81 -14.743 -25.400 1.117 1.00 0.00 C ATOM 1256 C ASP A 81 -15.065 -24.019 0.556 1.00 0.00 C ATOM 1257 O ASP A 81 -15.132 -23.830 -0.660 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.464 -25.939 0.475 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.710 -26.883 1.390 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.869 -26.768 2.623 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -11.960 -27.738 0.873 1.00 0.00 O ATOM 0 HA ASP A 81 -14.591 -25.309 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.716 -26.458 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.817 -25.104 0.206 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.266 -23.056 1.449 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.583 -21.690 1.043 1.00 0.00 C ATOM 1268 C LEU A 82 -14.608 -20.697 1.667 1.00 0.00 C ATOM 1269 O LEU A 82 -14.059 -20.942 2.741 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.016 -21.337 1.446 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.900 -20.758 0.341 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.351 -20.700 0.794 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -17.410 -19.376 -0.064 1.00 0.00 C ATOM 0 H LEU A 82 -15.215 -23.195 2.458 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.491 -21.629 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.495 -22.236 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -16.976 -20.619 2.265 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.838 -21.413 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.965 -20.285 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.698 -21.705 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.431 -20.068 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -18.051 -18.979 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -17.442 -18.711 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.386 -19.446 -0.431 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.399 -19.574 0.986 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.491 -18.543 1.475 1.00 0.00 C ATOM 1287 C GLU A 83 -14.020 -17.151 1.144 1.00 0.00 C ATOM 1288 O GLU A 83 -14.535 -16.914 0.051 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.098 -18.729 0.868 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.118 -19.006 -0.626 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.238 -20.484 -0.943 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -12.423 -21.281 0.000 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.147 -20.843 -2.136 1.00 0.00 O ATOM 0 H GLU A 83 -14.846 -19.356 0.095 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.423 -18.639 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.507 -17.833 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.597 -19.553 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.953 -18.472 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.206 -18.614 -1.077 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.890 -16.233 2.097 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.356 -14.864 1.908 1.00 0.00 C ATOM 1302 C PHE A 84 -13.261 -13.863 2.265 1.00 0.00 C ATOM 1303 O PHE A 84 -12.679 -13.925 3.347 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.599 -14.604 2.762 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.732 -15.547 2.474 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.843 -16.746 3.160 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.685 -15.235 1.518 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.884 -17.616 2.896 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.729 -16.101 1.251 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.829 -17.293 1.941 1.00 0.00 C ATOM 0 H PHE A 84 -13.466 -16.412 3.007 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.613 -14.735 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.330 -14.683 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.937 -13.581 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -16.108 -17.003 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.611 -14.304 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -17.959 -18.548 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.466 -15.846 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.644 -17.971 1.735 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.987 -12.942 1.347 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.962 -11.928 1.564 1.00 0.00 C ATOM 1322 C GLU A 85 -12.592 -10.576 1.883 1.00 0.00 C ATOM 1323 O GLU A 85 -11.967 -9.719 2.509 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.064 -11.807 0.331 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.405 -13.115 -0.073 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.838 -13.072 -1.479 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -10.526 -12.548 -2.380 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.707 -13.563 -1.678 1.00 0.00 O ATOM 0 H GLU A 85 -13.460 -12.877 0.446 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.357 -12.237 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.657 -11.435 -0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.290 -11.065 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.605 -13.347 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.135 -13.922 -0.004 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.834 -10.391 1.447 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.550 -9.144 1.686 1.00 0.00 C ATOM 1337 C ASP A 86 -16.059 -9.371 1.669 1.00 0.00 C ATOM 1338 O ASP A 86 -16.683 -9.376 0.607 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.167 -8.101 0.634 1.00 0.00 C ATOM 1340 CG ASP A 86 -12.864 -7.400 0.962 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -12.874 -6.506 1.835 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -11.834 -7.744 0.346 1.00 0.00 O ATOM 0 H ASP A 86 -14.365 -11.089 0.926 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.267 -8.775 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.081 -8.585 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.964 -7.362 0.553 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.637 -9.561 2.850 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.071 -9.790 2.970 1.00 0.00 C ATOM 1349 C ILE A 87 -18.862 -8.717 2.229 1.00 0.00 C ATOM 1350 O ILE A 87 -18.393 -7.599 2.017 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.516 -9.813 4.444 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.914 -8.627 5.200 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.112 -11.126 5.098 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.451 -8.471 6.606 1.00 0.00 C ATOM 0 H ILE A 87 -16.134 -9.561 3.737 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.274 -10.763 2.522 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.602 -9.730 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.831 -8.747 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.111 -7.712 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.433 -11.128 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.584 -11.955 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.029 -11.237 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.980 -7.611 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.530 -8.320 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.230 -9.370 7.182 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.094 -9.063 1.825 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.978 -8.143 1.104 1.00 0.00 C ATOM 1368 C PRO A 88 -21.481 -7.008 1.989 1.00 0.00 C ATOM 1369 O PRO A 88 -21.002 -6.822 3.108 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.142 -9.037 0.669 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.154 -10.151 1.658 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.718 -10.379 2.043 1.00 0.00 C ATOM 0 HA PRO A 88 -20.466 -7.652 0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.085 -8.491 0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.998 -9.409 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.755 -9.892 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.590 -11.052 1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.626 -10.700 3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.255 -11.150 1.428 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.449 -6.252 1.482 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.017 -5.136 2.228 1.00 0.00 C ATOM 1382 C ASP A 89 -24.400 -5.490 2.766 1.00 0.00 C ATOM 1383 O ASP A 89 -24.888 -4.869 3.710 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.104 -3.893 1.341 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.154 -4.030 0.255 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -23.863 -4.675 -0.774 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.266 -3.492 0.435 1.00 0.00 O ATOM 0 H ASP A 89 -22.856 -6.392 0.557 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.361 -4.925 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.335 -3.025 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -22.133 -3.709 0.882 1.00 0.00 H new ATOM 1392 N SER A 90 -25.027 -6.492 2.157 1.00 0.00 N ATOM 1393 CA SER A 90 -26.357 -6.925 2.572 1.00 0.00 C ATOM 1394 C SER A 90 -26.293 -7.680 3.897 1.00 0.00 C ATOM 1395 O SER A 90 -27.248 -7.672 4.675 1.00 0.00 O ATOM 1396 CB SER A 90 -26.985 -7.813 1.496 1.00 0.00 C ATOM 1397 OG SER A 90 -26.942 -7.184 0.227 1.00 0.00 O ATOM 0 H SER A 90 -24.636 -7.019 1.376 1.00 0.00 H new ATOM 0 HA SER A 90 -26.976 -6.038 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.456 -8.765 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 90 -28.019 -8.035 1.761 1.00 0.00 H new ATOM 0 HG SER A 90 -27.348 -7.772 -0.444 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.163 -8.331 4.146 1.00 0.00 N ATOM 1404 CA LEU A 91 -24.973 -9.091 5.377 1.00 0.00 C ATOM 1405 C LEU A 91 -24.862 -8.160 6.580 1.00 0.00 C ATOM 1406 O LEU A 91 -25.652 -8.246 7.520 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.719 -9.961 5.273 1.00 0.00 C ATOM 1408 CG LEU A 91 -23.851 -11.230 4.429 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.517 -11.956 4.346 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -24.923 -12.144 5.004 1.00 0.00 C ATOM 0 H LEU A 91 -24.364 -8.348 3.512 1.00 0.00 H new ATOM 0 HA LEU A 91 -25.843 -9.733 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -22.914 -9.355 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.416 -10.248 6.280 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.149 -10.944 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -22.630 -12.856 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -21.775 -11.302 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.189 -12.231 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.003 -13.042 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -24.655 -12.423 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -25.880 -11.623 5.011 1.00 0.00 H new