USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 555 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 Single : A 7 THR OG1 : rot -14:sc= 1.72 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.481) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 MET CE :methyl 172:sc= -1.57 (180deg=-1.83) USER MOD Single : A 18 CYS SG : rot -110:sc= -2.1 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.52! C(o=-3.5!,f=-6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.25) USER MOD Single : A 55 THR OG1 : rot 73:sc= 0.504 USER MOD Single : A 56 MET CE :methyl -118:sc= -5.8! (180deg=-7.96!) USER MOD Single : A 57 ASN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -3.11 (180deg=-3.65) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= -0.111 (180deg=-0.458) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 5.486 7.701 10.318 1.00 0.00 N ATOM 102 CA THR A 7 6.214 6.602 9.692 1.00 0.00 C ATOM 103 C THR A 7 5.259 5.652 8.977 1.00 0.00 C ATOM 104 O THR A 7 4.045 5.854 8.982 1.00 0.00 O ATOM 105 CB THR A 7 7.029 5.837 10.739 1.00 0.00 C ATOM 106 OG1 THR A 7 6.453 5.978 12.026 1.00 0.00 O ATOM 107 CG2 THR A 7 8.470 6.294 10.827 1.00 0.00 C ATOM 0 HA THR A 7 6.894 7.026 8.953 1.00 0.00 H new ATOM 0 HB THR A 7 7.014 4.797 10.413 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.798 6.707 12.013 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.991 5.712 11.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.957 6.150 9.863 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.501 7.350 11.095 1.00 0.00 H new ATOM 115 N LYS A 8 5.818 4.615 8.360 1.00 0.00 N ATOM 116 CA LYS A 8 5.021 3.632 7.637 1.00 0.00 C ATOM 117 C LYS A 8 4.001 2.968 8.556 1.00 0.00 C ATOM 118 O LYS A 8 2.893 2.633 8.132 1.00 0.00 O ATOM 119 CB LYS A 8 5.928 2.571 7.012 1.00 0.00 C ATOM 120 CG LYS A 8 6.600 3.026 5.726 1.00 0.00 C ATOM 121 CD LYS A 8 8.070 3.346 5.946 1.00 0.00 C ATOM 122 CE LYS A 8 8.595 4.310 4.894 1.00 0.00 C ATOM 123 NZ LYS A 8 8.711 5.698 5.420 1.00 0.00 N ATOM 0 H LYS A 8 6.822 4.434 8.347 1.00 0.00 H new ATOM 0 HA LYS A 8 4.481 4.153 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.695 2.290 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.340 1.676 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.506 2.246 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.089 3.908 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.205 3.779 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.652 2.425 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.571 3.971 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.929 4.303 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.721 6.370 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.900 5.904 6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.593 5.791 5.963 1.00 0.00 H new ATOM 137 N THR A 9 4.379 2.778 9.815 1.00 0.00 N ATOM 138 CA THR A 9 3.497 2.151 10.792 1.00 0.00 C ATOM 139 C THR A 9 2.467 3.147 11.320 1.00 0.00 C ATOM 140 O THR A 9 1.355 2.768 11.686 1.00 0.00 O ATOM 141 CB THR A 9 4.311 1.576 11.954 1.00 0.00 C ATOM 142 OG1 THR A 9 5.555 2.246 12.077 1.00 0.00 O ATOM 143 CG2 THR A 9 4.595 0.096 11.809 1.00 0.00 C ATOM 0 H THR A 9 5.291 3.049 10.183 1.00 0.00 H new ATOM 0 HA THR A 9 2.967 1.340 10.293 1.00 0.00 H new ATOM 0 HB THR A 9 3.696 1.726 12.841 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.059 1.865 12.826 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.175 -0.249 12.665 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.654 -0.452 11.764 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.161 -0.078 10.894 1.00 0.00 H new ATOM 151 N ASP A 10 2.845 4.421 11.358 1.00 0.00 N ATOM 152 CA ASP A 10 1.952 5.466 11.845 1.00 0.00 C ATOM 153 C ASP A 10 0.699 5.568 10.980 1.00 0.00 C ATOM 154 O ASP A 10 -0.421 5.569 11.492 1.00 0.00 O ATOM 155 CB ASP A 10 2.677 6.813 11.871 1.00 0.00 C ATOM 156 CG ASP A 10 3.402 7.053 13.180 1.00 0.00 C ATOM 157 OD1 ASP A 10 2.738 7.052 14.237 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.637 7.245 13.148 1.00 0.00 O ATOM 0 H ASP A 10 3.761 4.754 11.058 1.00 0.00 H new ATOM 0 HA ASP A 10 1.648 5.202 12.858 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.392 6.853 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.956 7.614 11.706 1.00 0.00 H new ATOM 163 N TYR A 11 0.894 5.654 9.668 1.00 0.00 N ATOM 164 CA TYR A 11 -0.222 5.757 8.736 1.00 0.00 C ATOM 165 C TYR A 11 -1.022 4.460 8.701 1.00 0.00 C ATOM 166 O TYR A 11 -2.243 4.468 8.859 1.00 0.00 O ATOM 167 CB TYR A 11 0.289 6.087 7.331 1.00 0.00 C ATOM 168 CG TYR A 11 0.244 7.561 6.986 1.00 0.00 C ATOM 169 CD1 TYR A 11 0.197 8.535 7.979 1.00 0.00 C ATOM 170 CD2 TYR A 11 0.248 7.979 5.660 1.00 0.00 C ATOM 171 CE1 TYR A 11 0.155 9.879 7.658 1.00 0.00 C ATOM 172 CE2 TYR A 11 0.207 9.320 5.334 1.00 0.00 C ATOM 173 CZ TYR A 11 0.161 10.266 6.335 1.00 0.00 C ATOM 174 OH TYR A 11 0.120 11.603 6.014 1.00 0.00 O ATOM 0 H TYR A 11 1.814 5.654 9.227 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.875 6.560 9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.316 5.734 7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.305 5.536 6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.193 8.236 9.017 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.284 7.242 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.118 10.623 8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.211 9.626 4.298 1.00 0.00 H new ATOM 0 HH TYR A 11 0.553 12.123 6.723 1.00 0.00 H new ATOM 184 N LEU A 12 -0.326 3.348 8.492 1.00 0.00 N ATOM 185 CA LEU A 12 -0.973 2.040 8.432 1.00 0.00 C ATOM 186 C LEU A 12 -1.788 1.773 9.695 1.00 0.00 C ATOM 187 O LEU A 12 -2.928 1.311 9.622 1.00 0.00 O ATOM 188 CB LEU A 12 0.073 0.939 8.246 1.00 0.00 C ATOM 189 CG LEU A 12 -0.369 -0.230 7.365 1.00 0.00 C ATOM 190 CD1 LEU A 12 0.782 -1.201 7.149 1.00 0.00 C ATOM 191 CD2 LEU A 12 -1.561 -0.943 7.986 1.00 0.00 C ATOM 0 H LEU A 12 0.685 3.325 8.361 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.651 2.039 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.971 1.381 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.349 0.551 9.227 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.671 0.164 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.449 -2.026 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.608 -0.683 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.115 -1.590 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.863 -1.772 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.285 -1.325 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.391 -0.243 8.088 1.00 0.00 H new ATOM 203 N MET A 13 -1.201 2.070 10.850 1.00 0.00 N ATOM 204 CA MET A 13 -1.878 1.861 12.125 1.00 0.00 C ATOM 205 C MET A 13 -3.042 2.833 12.287 1.00 0.00 C ATOM 206 O MET A 13 -4.137 2.446 12.694 1.00 0.00 O ATOM 207 CB MET A 13 -0.894 2.027 13.284 1.00 0.00 C ATOM 208 CG MET A 13 0.095 0.880 13.408 1.00 0.00 C ATOM 209 SD MET A 13 -0.415 -0.347 14.627 1.00 0.00 S ATOM 210 CE MET A 13 -2.041 -0.779 14.012 1.00 0.00 C ATOM 0 H MET A 13 -0.260 2.455 10.929 1.00 0.00 H new ATOM 0 HA MET A 13 -2.272 0.845 12.137 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.343 2.958 13.152 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.453 2.116 14.215 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.209 0.397 12.438 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.072 1.276 13.684 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.429 -1.628 14.575 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.712 0.072 14.130 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.972 -1.044 12.957 1.00 0.00 H new ATOM 220 N ARG A 14 -2.796 4.100 11.966 1.00 0.00 N ATOM 221 CA ARG A 14 -3.823 5.130 12.077 1.00 0.00 C ATOM 222 C ARG A 14 -4.965 4.868 11.099 1.00 0.00 C ATOM 223 O ARG A 14 -6.112 5.237 11.356 1.00 0.00 O ATOM 224 CB ARG A 14 -3.221 6.511 11.815 1.00 0.00 C ATOM 225 CG ARG A 14 -4.074 7.657 12.339 1.00 0.00 C ATOM 226 CD ARG A 14 -3.246 8.911 12.571 1.00 0.00 C ATOM 227 NE ARG A 14 -3.751 10.050 11.809 1.00 0.00 N ATOM 228 CZ ARG A 14 -3.531 10.228 10.508 1.00 0.00 C ATOM 229 NH1 ARG A 14 -2.814 9.346 9.822 1.00 0.00 N ATOM 230 NH2 ARG A 14 -4.028 11.291 9.890 1.00 0.00 N ATOM 0 H ARG A 14 -1.895 4.437 11.627 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.222 5.101 13.091 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.235 6.562 12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.077 6.638 10.742 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.871 7.873 11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.552 7.358 13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.249 9.156 13.633 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.210 8.718 12.291 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.305 10.750 12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.428 8.527 10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.649 9.488 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.579 11.973 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.859 11.427 8.893 1.00 0.00 H new ATOM 244 N LEU A 15 -4.643 4.234 9.975 1.00 0.00 N ATOM 245 CA LEU A 15 -5.642 3.928 8.958 1.00 0.00 C ATOM 246 C LEU A 15 -6.703 2.974 9.501 1.00 0.00 C ATOM 247 O LEU A 15 -7.899 3.186 9.307 1.00 0.00 O ATOM 248 CB LEU A 15 -4.970 3.314 7.727 1.00 0.00 C ATOM 249 CG LEU A 15 -5.589 3.710 6.384 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.503 4.073 5.381 1.00 0.00 C ATOM 251 CD2 LEU A 15 -6.463 2.585 5.846 1.00 0.00 C ATOM 0 H LEU A 15 -3.699 3.923 9.746 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.132 4.859 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.919 3.603 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.002 2.228 7.818 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.217 4.587 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.962 4.352 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.921 4.912 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.847 3.216 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.895 2.884 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.858 1.689 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.263 2.375 6.556 1.00 0.00 H new ATOM 263 N ARG A 16 -6.256 1.926 10.183 1.00 0.00 N ATOM 264 CA ARG A 16 -7.169 0.940 10.754 1.00 0.00 C ATOM 265 C ARG A 16 -7.993 1.541 11.892 1.00 0.00 C ATOM 266 O ARG A 16 -9.014 0.981 12.291 1.00 0.00 O ATOM 267 CB ARG A 16 -6.386 -0.271 11.264 1.00 0.00 C ATOM 268 CG ARG A 16 -7.168 -1.573 11.199 1.00 0.00 C ATOM 269 CD ARG A 16 -6.255 -2.778 11.355 1.00 0.00 C ATOM 270 NE ARG A 16 -6.130 -3.194 12.751 1.00 0.00 N ATOM 271 CZ ARG A 16 -5.125 -3.932 13.218 1.00 0.00 C ATOM 272 NH1 ARG A 16 -4.156 -4.339 12.406 1.00 0.00 N ATOM 273 NH2 ARG A 16 -5.088 -4.263 14.502 1.00 0.00 N ATOM 0 H ARG A 16 -5.269 1.736 10.355 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.854 0.623 9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.473 -0.376 10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.084 -0.090 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.925 -1.584 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.695 -1.635 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.644 -3.607 10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.268 -2.539 10.958 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.855 -2.902 13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.179 -4.086 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.389 -4.904 12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.829 -3.952 15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.319 -4.828 14.861 1.00 0.00 H new ATOM 287 N ARG A 17 -7.544 2.681 12.413 1.00 0.00 N ATOM 288 CA ARG A 17 -8.240 3.351 13.507 1.00 0.00 C ATOM 289 C ARG A 17 -9.709 3.596 13.167 1.00 0.00 C ATOM 290 O ARG A 17 -10.548 3.720 14.058 1.00 0.00 O ATOM 291 CB ARG A 17 -7.557 4.680 13.832 1.00 0.00 C ATOM 292 CG ARG A 17 -7.639 5.063 15.301 1.00 0.00 C ATOM 293 CD ARG A 17 -7.302 6.530 15.513 1.00 0.00 C ATOM 294 NE ARG A 17 -8.502 7.360 15.598 1.00 0.00 N ATOM 295 CZ ARG A 17 -9.376 7.300 16.601 1.00 0.00 C ATOM 296 NH1 ARG A 17 -9.190 6.450 17.604 1.00 0.00 N ATOM 297 NH2 ARG A 17 -10.439 8.092 16.601 1.00 0.00 N ATOM 0 H ARG A 17 -6.701 3.159 12.095 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.196 2.697 14.378 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.509 4.622 13.538 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.012 5.469 13.233 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.643 4.861 15.675 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.953 4.444 15.879 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.720 6.640 16.428 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.676 6.881 14.692 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.681 8.024 14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.374 5.838 17.609 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.863 6.409 18.369 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.587 8.747 15.833 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.109 8.047 17.369 1.00 0.00 H new ATOM 311 N CYS A 18 -10.015 3.667 11.874 1.00 0.00 N ATOM 312 CA CYS A 18 -11.384 3.900 11.427 1.00 0.00 C ATOM 313 C CYS A 18 -12.299 2.751 11.838 1.00 0.00 C ATOM 314 O CYS A 18 -11.834 1.700 12.280 1.00 0.00 O ATOM 315 CB CYS A 18 -11.421 4.080 9.909 1.00 0.00 C ATOM 316 SG CYS A 18 -12.413 5.488 9.358 1.00 0.00 S ATOM 0 H CYS A 18 -9.335 3.567 11.120 1.00 0.00 H new ATOM 0 HA CYS A 18 -11.744 4.811 11.905 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.401 4.202 9.543 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.816 3.171 9.455 1.00 0.00 H new ATOM 0 HG CYS A 18 -13.488 5.057 8.767 1.00 0.00 H new ATOM 322 N GLN A 19 -13.604 2.959 11.690 1.00 0.00 N ATOM 323 CA GLN A 19 -14.587 1.943 12.045 1.00 0.00 C ATOM 324 C GLN A 19 -15.114 1.236 10.801 1.00 0.00 C ATOM 325 O GLN A 19 -15.281 0.016 10.791 1.00 0.00 O ATOM 326 CB GLN A 19 -15.746 2.576 12.819 1.00 0.00 C ATOM 327 CG GLN A 19 -15.674 2.342 14.320 1.00 0.00 C ATOM 328 CD GLN A 19 -15.981 3.592 15.121 1.00 0.00 C ATOM 329 OE1 GLN A 19 -17.050 3.714 15.717 1.00 0.00 O ATOM 330 NE2 GLN A 19 -15.040 4.530 15.138 1.00 0.00 N ATOM 0 H GLN A 19 -14.005 3.823 11.326 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.097 1.203 12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.757 3.649 12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.686 2.175 12.442 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.378 1.557 14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.678 1.984 14.581 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.168 4.387 14.629 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.190 5.393 15.660 1.00 0.00 H new ATOM 339 N THR A 20 -15.371 2.011 9.753 1.00 0.00 N ATOM 340 CA THR A 20 -15.876 1.462 8.500 1.00 0.00 C ATOM 341 C THR A 20 -15.038 1.946 7.320 1.00 0.00 C ATOM 342 O THR A 20 -14.465 3.034 7.360 1.00 0.00 O ATOM 343 CB THR A 20 -17.342 1.853 8.300 1.00 0.00 C ATOM 344 OG1 THR A 20 -17.879 1.214 7.156 1.00 0.00 O ATOM 345 CG2 THR A 20 -17.546 3.343 8.132 1.00 0.00 C ATOM 0 H THR A 20 -15.238 3.022 9.746 1.00 0.00 H new ATOM 0 HA THR A 20 -15.804 0.376 8.551 1.00 0.00 H new ATOM 0 HB THR A 20 -17.853 1.533 9.208 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.817 1.475 7.046 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.607 3.552 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 20 -17.186 3.862 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.992 3.690 7.260 1.00 0.00 H new ATOM 353 N ILE A 21 -14.966 1.128 6.277 1.00 0.00 N ATOM 354 CA ILE A 21 -14.192 1.466 5.088 1.00 0.00 C ATOM 355 C ILE A 21 -14.804 2.643 4.329 1.00 0.00 C ATOM 356 O ILE A 21 -14.088 3.502 3.815 1.00 0.00 O ATOM 357 CB ILE A 21 -14.080 0.259 4.137 1.00 0.00 C ATOM 358 CG1 ILE A 21 -13.509 -0.953 4.878 1.00 0.00 C ATOM 359 CG2 ILE A 21 -13.217 0.607 2.934 1.00 0.00 C ATOM 360 CD1 ILE A 21 -12.192 -0.676 5.571 1.00 0.00 C ATOM 0 H ILE A 21 -15.435 0.224 6.230 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.198 1.750 5.434 1.00 0.00 H new ATOM 0 HB ILE A 21 -15.078 0.005 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.235 -1.291 5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.372 -1.770 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.149 -0.257 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.664 1.442 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.219 0.886 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.849 -1.580 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.451 -0.367 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.327 0.119 6.304 1.00 0.00 H new ATOM 372 N ASP A 22 -16.131 2.669 4.249 1.00 0.00 N ATOM 373 CA ASP A 22 -16.837 3.734 3.538 1.00 0.00 C ATOM 374 C ASP A 22 -16.426 5.115 4.040 1.00 0.00 C ATOM 375 O ASP A 22 -16.073 5.990 3.250 1.00 0.00 O ATOM 376 CB ASP A 22 -18.350 3.554 3.686 1.00 0.00 C ATOM 377 CG ASP A 22 -19.123 4.241 2.577 1.00 0.00 C ATOM 378 OD1 ASP A 22 -18.800 5.405 2.261 1.00 0.00 O ATOM 379 OD2 ASP A 22 -20.052 3.614 2.026 1.00 0.00 O ATOM 0 H ASP A 22 -16.740 1.966 4.667 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.564 3.666 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.589 2.490 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.669 3.953 4.649 1.00 0.00 H new ATOM 384 N THR A 23 -16.473 5.310 5.355 1.00 0.00 N ATOM 385 CA THR A 23 -16.101 6.589 5.946 1.00 0.00 C ATOM 386 C THR A 23 -14.585 6.764 5.927 1.00 0.00 C ATOM 387 O THR A 23 -14.081 7.885 5.851 1.00 0.00 O ATOM 388 CB THR A 23 -16.652 6.687 7.377 1.00 0.00 C ATOM 389 OG1 THR A 23 -17.911 7.335 7.382 1.00 0.00 O ATOM 390 CG2 THR A 23 -15.752 7.436 8.335 1.00 0.00 C ATOM 0 H THR A 23 -16.764 4.601 6.028 1.00 0.00 H new ATOM 0 HA THR A 23 -16.538 7.394 5.355 1.00 0.00 H new ATOM 0 HB THR A 23 -16.727 5.655 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 23 -18.248 7.387 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.212 7.461 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.787 6.933 8.397 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.607 8.455 7.977 1.00 0.00 H new ATOM 398 N LEU A 24 -13.865 5.649 5.992 1.00 0.00 N ATOM 399 CA LEU A 24 -12.408 5.683 5.975 1.00 0.00 C ATOM 400 C LEU A 24 -11.898 6.101 4.602 1.00 0.00 C ATOM 401 O LEU A 24 -10.925 6.845 4.492 1.00 0.00 O ATOM 402 CB LEU A 24 -11.838 4.314 6.348 1.00 0.00 C ATOM 403 CG LEU A 24 -10.399 4.329 6.860 1.00 0.00 C ATOM 404 CD1 LEU A 24 -9.951 2.924 7.228 1.00 0.00 C ATOM 405 CD2 LEU A 24 -9.469 4.935 5.819 1.00 0.00 C ATOM 0 H LEU A 24 -14.266 4.713 6.057 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.076 6.416 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.475 3.869 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.889 3.666 5.473 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.357 4.947 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.924 2.953 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.600 2.528 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.007 2.282 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.448 4.938 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.513 4.344 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.779 5.958 5.606 1.00 0.00 H new ATOM 417 N GLU A 25 -12.563 5.622 3.558 1.00 0.00 N ATOM 418 CA GLU A 25 -12.176 5.951 2.191 1.00 0.00 C ATOM 419 C GLU A 25 -12.187 7.461 1.983 1.00 0.00 C ATOM 420 O GLU A 25 -11.413 7.999 1.188 1.00 0.00 O ATOM 421 CB GLU A 25 -13.124 5.275 1.197 1.00 0.00 C ATOM 422 CG GLU A 25 -12.614 5.290 -0.235 1.00 0.00 C ATOM 423 CD GLU A 25 -12.313 3.900 -0.763 1.00 0.00 C ATOM 424 OE1 GLU A 25 -11.397 3.246 -0.223 1.00 0.00 O ATOM 425 OE2 GLU A 25 -12.994 3.466 -1.716 1.00 0.00 O ATOM 0 H GLU A 25 -13.372 5.005 3.631 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.164 5.584 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.285 4.242 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.093 5.774 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.357 5.765 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.711 5.898 -0.289 1.00 0.00 H new ATOM 432 N ARG A 26 -13.062 8.140 2.716 1.00 0.00 N ATOM 433 CA ARG A 26 -13.171 9.589 2.628 1.00 0.00 C ATOM 434 C ARG A 26 -11.851 10.251 3.009 1.00 0.00 C ATOM 435 O ARG A 26 -11.495 11.302 2.473 1.00 0.00 O ATOM 436 CB ARG A 26 -14.290 10.089 3.542 1.00 0.00 C ATOM 437 CG ARG A 26 -14.440 11.603 3.556 1.00 0.00 C ATOM 438 CD ARG A 26 -14.508 12.146 4.975 1.00 0.00 C ATOM 439 NE ARG A 26 -15.125 13.469 5.025 1.00 0.00 N ATOM 440 CZ ARG A 26 -15.032 14.291 6.068 1.00 0.00 C ATOM 441 NH1 ARG A 26 -14.349 13.930 7.146 1.00 0.00 N ATOM 442 NH2 ARG A 26 -15.623 15.478 6.031 1.00 0.00 N ATOM 0 H ARG A 26 -13.706 7.708 3.378 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.408 9.855 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.232 9.643 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.099 9.743 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.599 12.057 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.343 11.885 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.076 11.457 5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.502 12.199 5.392 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.658 13.781 4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.892 13.019 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.281 14.564 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.148 15.761 5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.552 16.108 6.830 1.00 0.00 H new ATOM 456 N VAL A 27 -11.126 9.631 3.937 1.00 0.00 N ATOM 457 CA VAL A 27 -9.848 10.168 4.382 1.00 0.00 C ATOM 458 C VAL A 27 -8.750 9.892 3.358 1.00 0.00 C ATOM 459 O VAL A 27 -7.816 10.679 3.208 1.00 0.00 O ATOM 460 CB VAL A 27 -9.437 9.609 5.764 1.00 0.00 C ATOM 461 CG1 VAL A 27 -8.642 8.317 5.634 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.646 10.651 6.536 1.00 0.00 C ATOM 0 H VAL A 27 -11.402 8.761 4.392 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.975 11.246 4.480 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.348 9.376 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.371 7.955 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.248 7.566 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.737 8.503 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.362 10.246 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.749 10.915 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.259 11.541 6.679 1.00 0.00 H new ATOM 472 N ILE A 28 -8.873 8.774 2.647 1.00 0.00 N ATOM 473 CA ILE A 28 -7.894 8.410 1.630 1.00 0.00 C ATOM 474 C ILE A 28 -7.812 9.499 0.564 1.00 0.00 C ATOM 475 O ILE A 28 -6.749 9.753 -0.001 1.00 0.00 O ATOM 476 CB ILE A 28 -8.236 7.050 0.969 1.00 0.00 C ATOM 477 CG1 ILE A 28 -7.704 5.899 1.823 1.00 0.00 C ATOM 478 CG2 ILE A 28 -7.666 6.961 -0.444 1.00 0.00 C ATOM 479 CD1 ILE A 28 -8.337 5.818 3.193 1.00 0.00 C ATOM 0 H ILE A 28 -9.638 8.108 2.756 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.927 8.311 2.123 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.321 6.974 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.874 4.959 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.626 6.010 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.923 5.996 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.086 7.759 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.582 7.065 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.911 4.978 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.145 6.742 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.413 5.675 3.089 1.00 0.00 H new ATOM 491 N GLU A 29 -8.945 10.140 0.299 1.00 0.00 N ATOM 492 CA GLU A 29 -9.005 11.206 -0.696 1.00 0.00 C ATOM 493 C GLU A 29 -8.367 12.485 -0.164 1.00 0.00 C ATOM 494 O GLU A 29 -7.539 13.105 -0.833 1.00 0.00 O ATOM 495 CB GLU A 29 -10.458 11.476 -1.099 1.00 0.00 C ATOM 496 CG GLU A 29 -10.619 11.893 -2.551 1.00 0.00 C ATOM 497 CD GLU A 29 -11.030 10.740 -3.446 1.00 0.00 C ATOM 498 OE1 GLU A 29 -11.985 10.021 -3.088 1.00 0.00 O ATOM 499 OE2 GLU A 29 -10.395 10.557 -4.507 1.00 0.00 O ATOM 0 H GLU A 29 -9.834 9.941 0.758 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.446 10.881 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.049 10.578 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.865 12.258 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.366 12.684 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.679 12.311 -2.912 1.00 0.00 H new ATOM 506 N LYS A 30 -8.758 12.877 1.043 1.00 0.00 N ATOM 507 CA LYS A 30 -8.224 14.083 1.665 1.00 0.00 C ATOM 508 C LYS A 30 -6.757 13.900 2.040 1.00 0.00 C ATOM 509 O LYS A 30 -5.972 14.849 2.001 1.00 0.00 O ATOM 510 CB LYS A 30 -9.043 14.445 2.907 1.00 0.00 C ATOM 511 CG LYS A 30 -9.895 15.693 2.731 1.00 0.00 C ATOM 512 CD LYS A 30 -9.786 16.619 3.932 1.00 0.00 C ATOM 513 CE LYS A 30 -10.928 16.400 4.913 1.00 0.00 C ATOM 514 NZ LYS A 30 -11.642 17.669 5.225 1.00 0.00 N ATOM 0 H LYS A 30 -9.443 12.377 1.610 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.294 14.897 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.690 13.606 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.366 14.593 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.582 16.224 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.936 15.406 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.835 16.451 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.789 17.655 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.632 15.680 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.538 15.967 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.413 17.478 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.976 18.347 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.037 18.069 4.350 1.00 0.00 H new ATOM 528 N ASN A 31 -6.393 12.676 2.407 1.00 0.00 N ATOM 529 CA ASN A 31 -5.021 12.368 2.795 1.00 0.00 C ATOM 530 C ASN A 31 -4.101 12.317 1.580 1.00 0.00 C ATOM 531 O ASN A 31 -2.980 12.823 1.617 1.00 0.00 O ATOM 532 CB ASN A 31 -4.967 11.037 3.548 1.00 0.00 C ATOM 533 CG ASN A 31 -5.614 11.123 4.917 1.00 0.00 C ATOM 534 OD1 ASN A 31 -6.164 12.157 5.293 1.00 0.00 O ATOM 535 ND2 ASN A 31 -5.550 10.031 5.672 1.00 0.00 N ATOM 0 H ASN A 31 -7.030 11.880 2.444 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.673 13.165 3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.468 10.269 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.928 10.727 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.967 10.029 6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.084 9.195 5.321 1.00 0.00 H new ATOM 542 N LYS A 32 -4.579 11.700 0.505 1.00 0.00 N ATOM 543 CA LYS A 32 -3.792 11.584 -0.718 1.00 0.00 C ATOM 544 C LYS A 32 -3.430 12.962 -1.265 1.00 0.00 C ATOM 545 O LYS A 32 -2.388 13.134 -1.898 1.00 0.00 O ATOM 546 CB LYS A 32 -4.554 10.774 -1.775 1.00 0.00 C ATOM 547 CG LYS A 32 -5.687 11.538 -2.445 1.00 0.00 C ATOM 548 CD LYS A 32 -5.424 11.741 -3.929 1.00 0.00 C ATOM 549 CE LYS A 32 -6.102 10.668 -4.767 1.00 0.00 C ATOM 550 NZ LYS A 32 -5.395 10.445 -6.058 1.00 0.00 N ATOM 0 H LYS A 32 -5.504 11.274 0.455 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.868 11.058 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.851 10.443 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.961 9.878 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.622 10.994 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.810 12.507 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.785 12.724 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.350 11.725 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.135 9.735 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.134 10.958 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.887 9.707 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.386 11.329 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.417 10.143 -5.871 1.00 0.00 H new ATOM 564 N TYR A 33 -4.295 13.940 -1.017 1.00 0.00 N ATOM 565 CA TYR A 33 -4.063 15.301 -1.485 1.00 0.00 C ATOM 566 C TYR A 33 -3.482 16.181 -0.377 1.00 0.00 C ATOM 567 O TYR A 33 -3.125 17.335 -0.616 1.00 0.00 O ATOM 568 CB TYR A 33 -5.366 15.911 -2.006 1.00 0.00 C ATOM 569 CG TYR A 33 -5.251 16.480 -3.403 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.528 17.640 -3.642 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.865 15.855 -4.479 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.419 18.163 -4.917 1.00 0.00 C ATOM 573 CE2 TYR A 33 -5.762 16.371 -5.757 1.00 0.00 C ATOM 574 CZ TYR A 33 -5.038 17.525 -5.971 1.00 0.00 C ATOM 575 OH TYR A 33 -4.933 18.041 -7.242 1.00 0.00 O ATOM 0 H TYR A 33 -5.162 13.815 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.337 15.255 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.144 15.148 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.685 16.701 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.042 18.142 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.432 14.951 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.852 19.066 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.246 15.873 -6.584 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.426 17.471 -7.868 1.00 0.00 H new ATOM 585 N GLU A 34 -3.391 15.635 0.834 1.00 0.00 N ATOM 586 CA GLU A 34 -2.855 16.381 1.967 1.00 0.00 C ATOM 587 C GLU A 34 -1.329 16.422 1.930 1.00 0.00 C ATOM 588 O GLU A 34 -0.733 17.471 1.693 1.00 0.00 O ATOM 589 CB GLU A 34 -3.331 15.762 3.284 1.00 0.00 C ATOM 590 CG GLU A 34 -4.011 16.754 4.213 1.00 0.00 C ATOM 591 CD GLU A 34 -3.024 17.654 4.930 1.00 0.00 C ATOM 592 OE1 GLU A 34 -2.539 17.259 6.012 1.00 0.00 O ATOM 593 OE2 GLU A 34 -2.735 18.752 4.411 1.00 0.00 O ATOM 0 H GLU A 34 -3.681 14.682 1.054 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.224 17.404 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.024 14.950 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.477 15.322 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.705 17.367 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.602 16.210 4.950 1.00 0.00 H new ATOM 600 N LEU A 35 -0.703 15.274 2.178 1.00 0.00 N ATOM 601 CA LEU A 35 0.753 15.189 2.184 1.00 0.00 C ATOM 602 C LEU A 35 1.341 15.383 0.792 1.00 0.00 C ATOM 603 O LEU A 35 0.691 15.914 -0.108 1.00 0.00 O ATOM 604 CB LEU A 35 1.225 13.847 2.768 1.00 0.00 C ATOM 605 CG LEU A 35 1.168 12.610 1.845 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.745 11.387 2.635 1.00 0.00 C ATOM 607 CD2 LEU A 35 0.227 12.797 0.666 1.00 0.00 C ATOM 0 H LEU A 35 -1.180 14.394 2.376 1.00 0.00 H new ATOM 0 HA LEU A 35 1.113 15.999 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.255 13.969 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.625 13.635 3.653 1.00 0.00 H new ATOM 0 HG LEU A 35 2.173 12.473 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.708 10.521 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.464 11.203 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.242 11.556 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.228 11.896 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.782 12.985 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.559 13.644 0.066 1.00 0.00 H new ATOM 619 N SER A 36 2.579 14.930 0.629 1.00 0.00 N ATOM 620 CA SER A 36 3.278 15.026 -0.642 1.00 0.00 C ATOM 621 C SER A 36 3.635 13.636 -1.151 1.00 0.00 C ATOM 622 O SER A 36 3.315 12.633 -0.515 1.00 0.00 O ATOM 623 CB SER A 36 4.545 15.870 -0.493 1.00 0.00 C ATOM 624 OG SER A 36 4.227 17.224 -0.220 1.00 0.00 O ATOM 0 H SER A 36 3.122 14.489 1.371 1.00 0.00 H new ATOM 0 HA SER A 36 2.619 15.509 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.161 15.468 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.136 15.809 -1.407 1.00 0.00 H new ATOM 0 HG SER A 36 5.054 17.742 -0.127 1.00 0.00 H new ATOM 630 N ASP A 37 4.314 13.582 -2.287 1.00 0.00 N ATOM 631 CA ASP A 37 4.725 12.308 -2.860 1.00 0.00 C ATOM 632 C ASP A 37 5.646 11.563 -1.895 1.00 0.00 C ATOM 633 O ASP A 37 5.748 10.338 -1.940 1.00 0.00 O ATOM 634 CB ASP A 37 5.435 12.528 -4.197 1.00 0.00 C ATOM 635 CG ASP A 37 4.496 12.391 -5.379 1.00 0.00 C ATOM 636 OD1 ASP A 37 3.788 11.365 -5.459 1.00 0.00 O ATOM 637 OD2 ASP A 37 4.468 13.309 -6.225 1.00 0.00 O ATOM 0 H ASP A 37 4.591 14.401 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 37 3.834 11.705 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.885 13.521 -4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.248 11.808 -4.297 1.00 0.00 H new ATOM 642 N ASN A 38 6.324 12.316 -1.027 1.00 0.00 N ATOM 643 CA ASN A 38 7.244 11.729 -0.059 1.00 0.00 C ATOM 644 C ASN A 38 6.501 10.994 1.053 1.00 0.00 C ATOM 645 O ASN A 38 6.841 9.859 1.387 1.00 0.00 O ATOM 646 CB ASN A 38 8.138 12.814 0.545 1.00 0.00 C ATOM 647 CG ASN A 38 9.557 12.334 0.772 1.00 0.00 C ATOM 648 OD1 ASN A 38 10.015 12.230 1.910 1.00 0.00 O ATOM 649 ND2 ASN A 38 10.262 12.035 -0.313 1.00 0.00 N ATOM 0 H ASN A 38 6.252 13.332 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 38 7.859 11.002 -0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.152 13.680 -0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.713 13.145 1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.223 11.704 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.843 12.136 -1.237 1.00 0.00 H new ATOM 656 N GLU A 39 5.484 11.635 1.621 1.00 0.00 N ATOM 657 CA GLU A 39 4.706 11.025 2.683 1.00 0.00 C ATOM 658 C GLU A 39 3.707 10.032 2.100 1.00 0.00 C ATOM 659 O GLU A 39 3.344 9.048 2.744 1.00 0.00 O ATOM 660 CB GLU A 39 3.993 12.116 3.482 1.00 0.00 C ATOM 661 CG GLU A 39 2.983 11.602 4.495 1.00 0.00 C ATOM 662 CD GLU A 39 3.533 11.581 5.908 1.00 0.00 C ATOM 663 OE1 GLU A 39 4.130 12.594 6.328 1.00 0.00 O ATOM 664 OE2 GLU A 39 3.366 10.551 6.595 1.00 0.00 O ATOM 0 H GLU A 39 5.183 12.574 1.361 1.00 0.00 H new ATOM 0 HA GLU A 39 5.369 10.478 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.741 12.712 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.483 12.783 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.092 12.230 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.673 10.595 4.215 1.00 0.00 H new ATOM 671 N LEU A 40 3.265 10.299 0.874 1.00 0.00 N ATOM 672 CA LEU A 40 2.306 9.433 0.201 1.00 0.00 C ATOM 673 C LEU A 40 2.839 8.013 0.105 1.00 0.00 C ATOM 674 O LEU A 40 2.073 7.051 0.149 1.00 0.00 O ATOM 675 CB LEU A 40 1.988 9.971 -1.190 1.00 0.00 C ATOM 676 CG LEU A 40 0.840 9.264 -1.916 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.207 10.272 -2.366 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.364 8.470 -3.104 1.00 0.00 C ATOM 0 H LEU A 40 3.557 11.109 0.327 1.00 0.00 H new ATOM 0 HA LEU A 40 1.389 9.418 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.746 11.030 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.885 9.897 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 40 0.371 8.568 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.015 9.752 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.606 10.794 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.250 10.993 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.533 7.975 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.860 9.144 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.075 7.721 -2.756 1.00 0.00 H new ATOM 690 N ALA A 41 4.158 7.880 0.003 1.00 0.00 N ATOM 691 CA ALA A 41 4.774 6.563 -0.063 1.00 0.00 C ATOM 692 C ALA A 41 4.348 5.755 1.154 1.00 0.00 C ATOM 693 O ALA A 41 4.180 4.537 1.087 1.00 0.00 O ATOM 694 CB ALA A 41 6.290 6.682 -0.129 1.00 0.00 C ATOM 0 H ALA A 41 4.814 8.661 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 41 4.444 6.053 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.731 5.687 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.572 7.248 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.654 7.197 0.760 1.00 0.00 H new ATOM 700 N VAL A 42 4.147 6.465 2.261 1.00 0.00 N ATOM 701 CA VAL A 42 3.708 5.852 3.501 1.00 0.00 C ATOM 702 C VAL A 42 2.215 5.541 3.431 1.00 0.00 C ATOM 703 O VAL A 42 1.750 4.560 4.010 1.00 0.00 O ATOM 704 CB VAL A 42 3.993 6.772 4.708 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.398 6.200 5.991 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.491 6.994 4.862 1.00 0.00 C ATOM 0 H VAL A 42 4.284 7.474 2.319 1.00 0.00 H new ATOM 0 HA VAL A 42 4.266 4.926 3.636 1.00 0.00 H new ATOM 0 HB VAL A 42 3.515 7.734 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.615 6.870 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.319 6.100 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.835 5.221 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.676 7.644 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.986 6.036 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.884 7.461 3.959 1.00 0.00 H new ATOM 716 N PHE A 43 1.465 6.384 2.714 1.00 0.00 N ATOM 717 CA PHE A 43 0.028 6.185 2.574 1.00 0.00 C ATOM 718 C PHE A 43 -0.276 5.059 1.590 1.00 0.00 C ATOM 719 O PHE A 43 -1.151 4.228 1.832 1.00 0.00 O ATOM 720 CB PHE A 43 -0.647 7.478 2.112 1.00 0.00 C ATOM 721 CG PHE A 43 -2.083 7.588 2.537 1.00 0.00 C ATOM 722 CD1 PHE A 43 -2.463 7.270 3.832 1.00 0.00 C ATOM 723 CD2 PHE A 43 -3.053 8.009 1.643 1.00 0.00 C ATOM 724 CE1 PHE A 43 -3.784 7.370 4.226 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.376 8.111 2.031 1.00 0.00 C ATOM 726 CZ PHE A 43 -4.741 7.791 3.324 1.00 0.00 C ATOM 0 H PHE A 43 1.830 7.203 2.227 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.368 5.905 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.093 8.329 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.592 7.539 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.718 6.940 4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.773 8.261 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.067 7.119 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.123 8.440 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.774 7.870 3.629 1.00 0.00 H new ATOM 736 N TYR A 44 0.452 5.039 0.478 1.00 0.00 N ATOM 737 CA TYR A 44 0.261 4.018 -0.545 1.00 0.00 C ATOM 738 C TYR A 44 0.684 2.645 -0.032 1.00 0.00 C ATOM 739 O TYR A 44 -0.046 1.665 -0.179 1.00 0.00 O ATOM 740 CB TYR A 44 1.058 4.371 -1.802 1.00 0.00 C ATOM 741 CG TYR A 44 0.393 3.930 -3.087 1.00 0.00 C ATOM 742 CD1 TYR A 44 0.423 2.598 -3.486 1.00 0.00 C ATOM 743 CD2 TYR A 44 -0.264 4.843 -3.901 1.00 0.00 C ATOM 744 CE1 TYR A 44 -0.182 2.192 -4.660 1.00 0.00 C ATOM 745 CE2 TYR A 44 -0.872 4.444 -5.077 1.00 0.00 C ATOM 746 CZ TYR A 44 -0.828 3.118 -5.451 1.00 0.00 C ATOM 747 OH TYR A 44 -1.433 2.717 -6.620 1.00 0.00 O ATOM 0 H TYR A 44 1.181 5.720 0.263 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.800 3.983 -0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.211 5.450 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.044 3.911 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.927 1.869 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.301 5.883 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.149 1.154 -4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.379 5.167 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.844 3.491 -7.058 1.00 0.00 H new ATOM 757 N SER A 45 1.867 2.582 0.569 1.00 0.00 N ATOM 758 CA SER A 45 2.388 1.329 1.103 1.00 0.00 C ATOM 759 C SER A 45 1.441 0.749 2.149 1.00 0.00 C ATOM 760 O SER A 45 1.132 -0.442 2.127 1.00 0.00 O ATOM 761 CB SER A 45 3.773 1.547 1.716 1.00 0.00 C ATOM 762 OG SER A 45 4.364 0.315 2.093 1.00 0.00 O ATOM 0 H SER A 45 2.483 3.384 0.699 1.00 0.00 H new ATOM 0 HA SER A 45 2.471 0.619 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.415 2.057 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.690 2.196 2.588 1.00 0.00 H new ATOM 0 HG SER A 45 5.249 0.482 2.480 1.00 0.00 H new ATOM 768 N ALA A 46 0.986 1.598 3.063 1.00 0.00 N ATOM 769 CA ALA A 46 0.074 1.169 4.119 1.00 0.00 C ATOM 770 C ALA A 46 -1.312 0.864 3.559 1.00 0.00 C ATOM 771 O ALA A 46 -2.043 0.038 4.105 1.00 0.00 O ATOM 772 CB ALA A 46 -0.017 2.233 5.201 1.00 0.00 C ATOM 0 H ALA A 46 1.233 2.587 3.095 1.00 0.00 H new ATOM 0 HA ALA A 46 0.471 0.253 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.700 1.900 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.971 2.401 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.387 3.162 4.767 1.00 0.00 H new ATOM 778 N ALA A 47 -1.668 1.537 2.469 1.00 0.00 N ATOM 779 CA ALA A 47 -2.969 1.340 1.839 1.00 0.00 C ATOM 780 C ALA A 47 -3.142 -0.098 1.361 1.00 0.00 C ATOM 781 O ALA A 47 -3.982 -0.836 1.875 1.00 0.00 O ATOM 782 CB ALA A 47 -3.144 2.310 0.679 1.00 0.00 C ATOM 0 H ALA A 47 -1.074 2.223 2.004 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.738 1.538 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.119 2.153 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.078 3.334 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.361 2.139 -0.060 1.00 0.00 H new ATOM 788 N ASP A 48 -2.344 -0.489 0.372 1.00 0.00 N ATOM 789 CA ASP A 48 -2.414 -1.839 -0.182 1.00 0.00 C ATOM 790 C ASP A 48 -2.253 -2.892 0.910 1.00 0.00 C ATOM 791 O ASP A 48 -2.984 -3.880 0.939 1.00 0.00 O ATOM 792 CB ASP A 48 -1.341 -2.028 -1.256 1.00 0.00 C ATOM 793 CG ASP A 48 -1.900 -1.901 -2.660 1.00 0.00 C ATOM 794 OD1 ASP A 48 -2.996 -1.322 -2.812 1.00 0.00 O ATOM 795 OD2 ASP A 48 -1.242 -2.380 -3.608 1.00 0.00 O ATOM 0 H ASP A 48 -1.641 0.109 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.398 -1.966 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.553 -1.288 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.882 -3.009 -1.138 1.00 0.00 H new ATOM 800 N HIS A 49 -1.298 -2.676 1.810 1.00 0.00 N ATOM 801 CA HIS A 49 -1.058 -3.614 2.903 1.00 0.00 C ATOM 802 C HIS A 49 -2.334 -3.830 3.710 1.00 0.00 C ATOM 803 O HIS A 49 -2.757 -4.965 3.930 1.00 0.00 O ATOM 804 CB HIS A 49 0.061 -3.101 3.812 1.00 0.00 C ATOM 805 CG HIS A 49 1.208 -4.054 3.947 1.00 0.00 C ATOM 806 ND1 HIS A 49 2.516 -3.641 4.086 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.238 -5.407 3.965 1.00 0.00 C ATOM 808 CE1 HIS A 49 3.302 -4.700 4.182 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.550 -5.783 4.113 1.00 0.00 N ATOM 0 H HIS A 49 -0.680 -1.864 1.805 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.750 -4.568 2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.431 -2.154 3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.350 -2.898 4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.388 -6.068 3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.376 -4.682 4.297 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.889 -6.744 4.162 1.00 0.00 H new ATOM 818 N ARG A 50 -2.954 -2.732 4.135 1.00 0.00 N ATOM 819 CA ARG A 50 -4.192 -2.808 4.900 1.00 0.00 C ATOM 820 C ARG A 50 -5.275 -3.483 4.070 1.00 0.00 C ATOM 821 O ARG A 50 -6.042 -4.304 4.572 1.00 0.00 O ATOM 822 CB ARG A 50 -4.646 -1.410 5.325 1.00 0.00 C ATOM 823 CG ARG A 50 -5.182 -1.352 6.746 1.00 0.00 C ATOM 824 CD ARG A 50 -6.368 -2.284 6.932 1.00 0.00 C ATOM 825 NE ARG A 50 -7.549 -1.815 6.212 1.00 0.00 N ATOM 826 CZ ARG A 50 -8.337 -0.833 6.641 1.00 0.00 C ATOM 827 NH1 ARG A 50 -8.077 -0.218 7.789 1.00 0.00 N ATOM 828 NH2 ARG A 50 -9.387 -0.464 5.922 1.00 0.00 N ATOM 0 H ARG A 50 -2.620 -1.784 3.963 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.012 -3.400 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.807 -0.721 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.419 -1.064 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.391 -1.623 7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.480 -0.330 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.103 -3.282 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.600 -2.368 7.994 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.783 -2.267 5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.270 -0.498 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.684 0.534 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.591 -0.933 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.991 0.289 6.251 1.00 0.00 H new ATOM 842 N LEU A 51 -5.317 -3.139 2.788 1.00 0.00 N ATOM 843 CA LEU A 51 -6.287 -3.715 1.871 1.00 0.00 C ATOM 844 C LEU A 51 -6.006 -5.202 1.674 1.00 0.00 C ATOM 845 O LEU A 51 -6.925 -6.008 1.520 1.00 0.00 O ATOM 846 CB LEU A 51 -6.231 -2.985 0.523 1.00 0.00 C ATOM 847 CG LEU A 51 -7.169 -1.779 0.381 1.00 0.00 C ATOM 848 CD1 LEU A 51 -8.531 -2.076 0.987 1.00 0.00 C ATOM 849 CD2 LEU A 51 -6.555 -0.547 1.028 1.00 0.00 C ATOM 0 H LEU A 51 -4.686 -2.461 2.361 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.285 -3.600 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.208 -2.648 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.465 -3.699 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.307 -1.580 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.177 -1.206 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.978 -2.929 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.416 -2.307 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.234 0.299 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.384 -0.739 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.606 -0.316 0.543 1.00 0.00 H new ATOM 861 N ALA A 52 -4.725 -5.555 1.687 1.00 0.00 N ATOM 862 CA ALA A 52 -4.305 -6.938 1.513 1.00 0.00 C ATOM 863 C ALA A 52 -4.776 -7.806 2.674 1.00 0.00 C ATOM 864 O ALA A 52 -5.386 -8.855 2.467 1.00 0.00 O ATOM 865 CB ALA A 52 -2.792 -7.012 1.372 1.00 0.00 C ATOM 0 H ALA A 52 -3.957 -4.897 1.817 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.764 -7.322 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.489 -8.051 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.479 -6.432 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.323 -6.606 2.268 1.00 0.00 H new ATOM 871 N GLU A 53 -4.494 -7.364 3.898 1.00 0.00 N ATOM 872 CA GLU A 53 -4.898 -8.111 5.084 1.00 0.00 C ATOM 873 C GLU A 53 -6.405 -8.331 5.087 1.00 0.00 C ATOM 874 O GLU A 53 -6.883 -9.420 5.401 1.00 0.00 O ATOM 875 CB GLU A 53 -4.466 -7.385 6.361 1.00 0.00 C ATOM 876 CG GLU A 53 -4.837 -5.912 6.387 1.00 0.00 C ATOM 877 CD GLU A 53 -4.500 -5.253 7.710 1.00 0.00 C ATOM 878 OE1 GLU A 53 -3.364 -5.439 8.195 1.00 0.00 O ATOM 879 OE2 GLU A 53 -5.372 -4.549 8.261 1.00 0.00 O ATOM 0 H GLU A 53 -3.991 -6.498 4.092 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.402 -9.081 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.920 -7.879 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.386 -7.480 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.314 -5.394 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.904 -5.806 6.193 1.00 0.00 H new ATOM 886 N LEU A 54 -7.149 -7.295 4.715 1.00 0.00 N ATOM 887 CA LEU A 54 -8.602 -7.385 4.658 1.00 0.00 C ATOM 888 C LEU A 54 -9.024 -8.504 3.710 1.00 0.00 C ATOM 889 O LEU A 54 -10.078 -9.116 3.881 1.00 0.00 O ATOM 890 CB LEU A 54 -9.201 -6.050 4.202 1.00 0.00 C ATOM 891 CG LEU A 54 -9.952 -5.272 5.286 1.00 0.00 C ATOM 892 CD1 LEU A 54 -9.069 -5.066 6.505 1.00 0.00 C ATOM 893 CD2 LEU A 54 -10.437 -3.935 4.743 1.00 0.00 C ATOM 0 H LEU A 54 -6.770 -6.386 4.449 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.976 -7.612 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.398 -5.422 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.884 -6.240 3.374 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.821 -5.856 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.620 -4.511 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.772 -6.035 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.180 -4.504 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.969 -3.395 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.582 -3.345 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.108 -4.106 3.901 1.00 0.00 H new ATOM 905 N THR A 55 -8.184 -8.767 2.710 1.00 0.00 N ATOM 906 CA THR A 55 -8.458 -9.813 1.733 1.00 0.00 C ATOM 907 C THR A 55 -8.049 -11.185 2.267 1.00 0.00 C ATOM 908 O THR A 55 -8.711 -12.186 1.995 1.00 0.00 O ATOM 909 CB THR A 55 -7.723 -9.522 0.425 1.00 0.00 C ATOM 910 OG1 THR A 55 -7.757 -8.138 0.127 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.299 -10.263 -0.763 1.00 0.00 C ATOM 0 H THR A 55 -7.308 -8.268 2.557 1.00 0.00 H new ATOM 0 HA THR A 55 -9.532 -9.825 1.545 1.00 0.00 H new ATOM 0 HB THR A 55 -6.701 -9.865 0.586 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.151 -7.659 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.731 -10.012 -1.659 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.240 -11.337 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.341 -9.975 -0.901 1.00 0.00 H new ATOM 919 N MET A 56 -6.955 -11.227 3.027 1.00 0.00 N ATOM 920 CA MET A 56 -6.470 -12.486 3.590 1.00 0.00 C ATOM 921 C MET A 56 -7.022 -12.716 4.993 1.00 0.00 C ATOM 922 O MET A 56 -6.485 -13.521 5.752 1.00 0.00 O ATOM 923 CB MET A 56 -4.940 -12.515 3.657 1.00 0.00 C ATOM 924 CG MET A 56 -4.224 -11.765 2.542 1.00 0.00 C ATOM 925 SD MET A 56 -4.999 -11.973 0.924 1.00 0.00 S ATOM 926 CE MET A 56 -4.859 -13.746 0.707 1.00 0.00 C ATOM 0 H MET A 56 -6.392 -10.411 3.265 1.00 0.00 H new ATOM 0 HA MET A 56 -6.819 -13.278 2.927 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.627 -12.096 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.612 -13.554 3.642 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.195 -10.704 2.789 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.191 -12.108 2.489 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.242 -13.958 -0.166 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.398 -14.186 1.592 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.851 -14.174 0.564 1.00 0.00 H new ATOM 936 N ASN A 57 -8.087 -12.004 5.338 1.00 0.00 N ATOM 937 CA ASN A 57 -8.693 -12.137 6.656 1.00 0.00 C ATOM 938 C ASN A 57 -7.730 -11.678 7.749 1.00 0.00 C ATOM 939 O ASN A 57 -7.329 -12.460 8.611 1.00 0.00 O ATOM 940 CB ASN A 57 -9.122 -13.586 6.906 1.00 0.00 C ATOM 941 CG ASN A 57 -10.554 -13.845 6.479 1.00 0.00 C ATOM 942 OD1 ASN A 57 -10.807 -14.594 5.536 1.00 0.00 O ATOM 943 ND2 ASN A 57 -11.500 -13.223 7.173 1.00 0.00 N ATOM 0 H ASN A 57 -8.548 -11.331 4.726 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.576 -11.499 6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.457 -14.258 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.014 -13.817 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.482 -13.358 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.245 -12.611 7.948 1.00 0.00 H new ATOM 950 N LYS A 58 -7.372 -10.397 7.705 1.00 0.00 N ATOM 951 CA LYS A 58 -6.467 -9.806 8.688 1.00 0.00 C ATOM 952 C LYS A 58 -5.068 -10.414 8.615 1.00 0.00 C ATOM 953 O LYS A 58 -4.342 -10.429 9.609 1.00 0.00 O ATOM 954 CB LYS A 58 -7.032 -9.975 10.101 1.00 0.00 C ATOM 955 CG LYS A 58 -8.161 -9.009 10.421 1.00 0.00 C ATOM 956 CD LYS A 58 -7.657 -7.796 11.186 1.00 0.00 C ATOM 957 CE LYS A 58 -6.631 -7.018 10.378 1.00 0.00 C ATOM 958 NZ LYS A 58 -6.031 -5.905 11.166 1.00 0.00 N ATOM 0 H LYS A 58 -7.698 -9.744 6.993 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.383 -8.745 8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.394 -10.996 10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.229 -9.835 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.637 -8.685 9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.923 -9.520 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.496 -7.146 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.213 -8.117 12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.843 -7.693 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.104 -6.615 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.496 -5.279 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.787 -5.362 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.391 -6.296 11.887 1.00 0.00 H new ATOM 972 N LEU A 59 -4.683 -10.906 7.440 1.00 0.00 N ATOM 973 CA LEU A 59 -3.359 -11.497 7.268 1.00 0.00 C ATOM 974 C LEU A 59 -2.551 -10.753 6.207 1.00 0.00 C ATOM 975 O LEU A 59 -2.961 -10.658 5.051 1.00 0.00 O ATOM 976 CB LEU A 59 -3.460 -12.982 6.898 1.00 0.00 C ATOM 977 CG LEU A 59 -2.147 -13.636 6.444 1.00 0.00 C ATOM 978 CD1 LEU A 59 -1.917 -13.406 4.959 1.00 0.00 C ATOM 979 CD2 LEU A 59 -0.972 -13.094 7.241 1.00 0.00 C ATOM 0 H LEU A 59 -5.263 -10.908 6.601 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.841 -11.408 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.840 -13.529 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.196 -13.092 6.101 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.227 -14.708 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.981 -13.878 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.741 -13.840 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.864 -12.336 4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.052 -13.571 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.898 -12.017 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.122 -13.305 8.300 1.00 0.00 H new ATOM 991 N TYR A 60 -1.395 -10.240 6.612 1.00 0.00 N ATOM 992 CA TYR A 60 -0.514 -9.514 5.706 1.00 0.00 C ATOM 993 C TYR A 60 0.895 -10.110 5.734 1.00 0.00 C ATOM 994 O TYR A 60 1.250 -10.834 6.664 1.00 0.00 O ATOM 995 CB TYR A 60 -0.476 -8.027 6.068 1.00 0.00 C ATOM 996 CG TYR A 60 0.497 -7.694 7.175 1.00 0.00 C ATOM 997 CD1 TYR A 60 1.846 -7.523 6.903 1.00 0.00 C ATOM 998 CD2 TYR A 60 0.067 -7.552 8.488 1.00 0.00 C ATOM 999 CE1 TYR A 60 2.745 -7.219 7.908 1.00 0.00 C ATOM 1000 CE2 TYR A 60 0.957 -7.248 9.501 1.00 0.00 C ATOM 1001 CZ TYR A 60 2.295 -7.082 9.205 1.00 0.00 C ATOM 1002 OH TYR A 60 3.185 -6.780 10.210 1.00 0.00 O ATOM 0 H TYR A 60 -1.045 -10.314 7.567 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.908 -9.611 4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.212 -7.453 5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.475 -7.710 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.200 -7.629 5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.980 -7.681 8.721 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.793 -7.090 7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.608 -7.141 10.517 1.00 0.00 H new ATOM 0 HH TYR A 60 2.706 -6.718 11.063 1.00 0.00 H new ATOM 1012 N ASP A 61 1.682 -9.806 4.701 1.00 0.00 N ATOM 1013 CA ASP A 61 3.054 -10.308 4.580 1.00 0.00 C ATOM 1014 C ASP A 61 3.081 -11.667 3.882 1.00 0.00 C ATOM 1015 O ASP A 61 4.150 -12.181 3.549 1.00 0.00 O ATOM 1016 CB ASP A 61 3.734 -10.411 5.951 1.00 0.00 C ATOM 1017 CG ASP A 61 5.193 -10.003 5.904 1.00 0.00 C ATOM 1018 OD1 ASP A 61 6.008 -10.775 5.356 1.00 0.00 O ATOM 1019 OD2 ASP A 61 5.520 -8.911 6.415 1.00 0.00 O ATOM 0 H ASP A 61 1.390 -9.208 3.928 1.00 0.00 H new ATOM 0 HA ASP A 61 3.608 -9.591 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.205 -9.779 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.657 -11.435 6.316 1.00 0.00 H new ATOM 1024 N LYS A 62 1.902 -12.237 3.651 1.00 0.00 N ATOM 1025 CA LYS A 62 1.794 -13.527 2.980 1.00 0.00 C ATOM 1026 C LYS A 62 0.809 -13.449 1.815 1.00 0.00 C ATOM 1027 O LYS A 62 0.388 -14.474 1.278 1.00 0.00 O ATOM 1028 CB LYS A 62 1.346 -14.604 3.970 1.00 0.00 C ATOM 1029 CG LYS A 62 2.499 -15.282 4.695 1.00 0.00 C ATOM 1030 CD LYS A 62 2.659 -14.750 6.111 1.00 0.00 C ATOM 1031 CE LYS A 62 2.937 -15.869 7.101 1.00 0.00 C ATOM 1032 NZ LYS A 62 4.370 -15.913 7.502 1.00 0.00 N ATOM 0 H LYS A 62 1.008 -11.825 3.919 1.00 0.00 H new ATOM 0 HA LYS A 62 2.776 -13.791 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.679 -14.155 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.769 -15.359 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.327 -16.358 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.423 -15.123 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.475 -14.028 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.753 -14.220 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.316 -15.733 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.655 -16.824 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.518 -16.690 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.961 -16.069 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.633 -15.011 7.948 1.00 0.00 H new ATOM 1046 N ILE A 63 0.445 -12.227 1.426 1.00 0.00 N ATOM 1047 CA ILE A 63 -0.487 -12.022 0.325 1.00 0.00 C ATOM 1048 C ILE A 63 0.112 -12.508 -0.994 1.00 0.00 C ATOM 1049 O ILE A 63 1.138 -11.996 -1.441 1.00 0.00 O ATOM 1050 CB ILE A 63 -0.873 -10.535 0.179 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.163 -9.912 1.550 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -2.080 -10.398 -0.739 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.076 -8.976 2.037 1.00 0.00 C ATOM 0 H ILE A 63 0.783 -11.367 1.858 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.382 -12.600 0.556 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.034 -9.999 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.105 -9.365 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.297 -10.710 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.345 -9.345 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.838 -10.803 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.922 -10.947 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.352 -8.574 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.863 -9.522 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.043 -8.157 1.328 1.00 0.00 H new ATOM 1065 N PRO A 64 -0.518 -13.507 -1.638 1.00 0.00 N ATOM 1066 CA PRO A 64 -0.032 -14.052 -2.908 1.00 0.00 C ATOM 1067 C PRO A 64 -0.275 -13.100 -4.075 1.00 0.00 C ATOM 1068 O PRO A 64 -0.619 -11.935 -3.878 1.00 0.00 O ATOM 1069 CB PRO A 64 -0.851 -15.331 -3.080 1.00 0.00 C ATOM 1070 CG PRO A 64 -2.118 -15.066 -2.344 1.00 0.00 C ATOM 1071 CD PRO A 64 -1.750 -14.183 -1.183 1.00 0.00 C ATOM 0 HA PRO A 64 1.045 -14.219 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.040 -15.542 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.328 -16.195 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.848 -14.577 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.570 -15.996 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.540 -13.467 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.578 -14.763 -0.277 1.00 0.00 H new ATOM 1079 N SER A 65 -0.092 -13.605 -5.291 1.00 0.00 N ATOM 1080 CA SER A 65 -0.291 -12.798 -6.489 1.00 0.00 C ATOM 1081 C SER A 65 -1.718 -12.939 -7.011 1.00 0.00 C ATOM 1082 O SER A 65 -2.253 -12.022 -7.635 1.00 0.00 O ATOM 1083 CB SER A 65 0.704 -13.208 -7.575 1.00 0.00 C ATOM 1084 OG SER A 65 0.628 -12.339 -8.692 1.00 0.00 O ATOM 0 H SER A 65 0.193 -14.567 -5.472 1.00 0.00 H new ATOM 0 HA SER A 65 -0.122 -11.754 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.716 -13.196 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.500 -14.231 -7.892 1.00 0.00 H new ATOM 0 HG SER A 65 1.275 -12.622 -9.371 1.00 0.00 H new ATOM 1090 N SER A 66 -2.328 -14.091 -6.753 1.00 0.00 N ATOM 1091 CA SER A 66 -3.694 -14.348 -7.200 1.00 0.00 C ATOM 1092 C SER A 66 -4.690 -13.468 -6.452 1.00 0.00 C ATOM 1093 O SER A 66 -5.576 -12.866 -7.057 1.00 0.00 O ATOM 1094 CB SER A 66 -4.047 -15.822 -6.999 1.00 0.00 C ATOM 1095 OG SER A 66 -3.449 -16.632 -7.997 1.00 0.00 O ATOM 0 H SER A 66 -1.900 -14.860 -6.238 1.00 0.00 H new ATOM 0 HA SER A 66 -3.753 -14.107 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.713 -16.148 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.130 -15.947 -7.026 1.00 0.00 H new ATOM 0 HG SER A 66 -3.689 -17.570 -7.844 1.00 0.00 H new ATOM 1101 N VAL A 67 -4.539 -13.396 -5.133 1.00 0.00 N ATOM 1102 CA VAL A 67 -5.429 -12.589 -4.307 1.00 0.00 C ATOM 1103 C VAL A 67 -5.212 -11.101 -4.558 1.00 0.00 C ATOM 1104 O VAL A 67 -6.165 -10.354 -4.780 1.00 0.00 O ATOM 1105 CB VAL A 67 -5.226 -12.875 -2.806 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -6.282 -12.157 -1.979 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -5.254 -14.372 -2.537 1.00 0.00 C ATOM 0 H VAL A 67 -3.810 -13.886 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.447 -12.862 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.247 -12.496 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.123 -12.370 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.208 -11.083 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.273 -12.503 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.109 -14.553 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.216 -14.779 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.457 -14.858 -3.099 1.00 0.00 H new ATOM 1117 N TRP A 68 -3.953 -10.676 -4.520 1.00 0.00 N ATOM 1118 CA TRP A 68 -3.614 -9.275 -4.742 1.00 0.00 C ATOM 1119 C TRP A 68 -4.119 -8.803 -6.102 1.00 0.00 C ATOM 1120 O TRP A 68 -4.624 -7.689 -6.236 1.00 0.00 O ATOM 1121 CB TRP A 68 -2.100 -9.071 -4.642 1.00 0.00 C ATOM 1122 CG TRP A 68 -1.694 -8.160 -3.526 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -0.584 -8.273 -2.741 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -2.393 -6.995 -3.071 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -0.548 -7.249 -1.826 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -1.649 -6.452 -2.008 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -3.575 -6.358 -3.460 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -2.048 -5.303 -1.329 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -3.970 -5.218 -2.786 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -3.208 -4.701 -1.731 1.00 0.00 C ATOM 0 H TRP A 68 -3.152 -11.281 -4.338 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.102 -8.681 -3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.619 -10.039 -4.504 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.733 -8.665 -5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.158 -9.053 -2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.179 -7.105 -1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.169 -6.750 -4.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.462 -4.902 -0.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.881 -4.718 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.544 -3.808 -1.224 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.981 -9.659 -7.108 1.00 0.00 N ATOM 1142 CA LYS A 69 -4.427 -9.328 -8.455 1.00 0.00 C ATOM 1143 C LYS A 69 -5.937 -9.115 -8.488 1.00 0.00 C ATOM 1144 O LYS A 69 -6.446 -8.326 -9.284 1.00 0.00 O ATOM 1145 CB LYS A 69 -4.035 -10.437 -9.435 1.00 0.00 C ATOM 1146 CG LYS A 69 -4.202 -10.048 -10.894 1.00 0.00 C ATOM 1147 CD LYS A 69 -3.438 -10.987 -11.812 1.00 0.00 C ATOM 1148 CE LYS A 69 -3.606 -10.599 -13.272 1.00 0.00 C ATOM 1149 NZ LYS A 69 -5.026 -10.304 -13.608 1.00 0.00 N ATOM 0 H LYS A 69 -3.565 -10.586 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.938 -8.401 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.996 -10.715 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.640 -11.320 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.260 -10.062 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.850 -9.027 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.380 -10.972 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.789 -12.008 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.993 -9.724 -13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.243 -11.408 -13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.178 -10.443 -14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.649 -10.944 -13.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.245 -9.319 -13.357 1.00 0.00 H new ATOM 1163 N PHE A 70 -6.648 -9.823 -7.616 1.00 0.00 N ATOM 1164 CA PHE A 70 -8.100 -9.711 -7.543 1.00 0.00 C ATOM 1165 C PHE A 70 -8.513 -8.365 -6.957 1.00 0.00 C ATOM 1166 O PHE A 70 -9.348 -7.661 -7.524 1.00 0.00 O ATOM 1167 CB PHE A 70 -8.678 -10.846 -6.695 1.00 0.00 C ATOM 1168 CG PHE A 70 -8.928 -12.108 -7.471 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -9.623 -12.075 -8.669 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -8.470 -13.328 -7.001 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -9.855 -13.233 -9.384 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -8.699 -14.492 -7.711 1.00 0.00 C ATOM 1173 CZ PHE A 70 -9.393 -14.444 -8.905 1.00 0.00 C ATOM 0 H PHE A 70 -6.242 -10.480 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.496 -9.784 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.992 -11.063 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.614 -10.513 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.988 -11.132 -9.048 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.927 -13.370 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.397 -13.192 -10.317 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.336 -15.437 -7.333 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.574 -15.351 -9.463 1.00 0.00 H new ATOM 1183 N ILE A 71 -7.922 -8.015 -5.819 1.00 0.00 N ATOM 1184 CA ILE A 71 -8.229 -6.753 -5.156 1.00 0.00 C ATOM 1185 C ILE A 71 -7.280 -5.649 -5.612 1.00 0.00 C ATOM 1186 O ILE A 71 -6.061 -5.792 -5.528 1.00 0.00 O ATOM 1187 CB ILE A 71 -8.149 -6.891 -3.622 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -8.597 -5.594 -2.943 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -6.736 -7.261 -3.190 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -9.435 -5.819 -1.703 1.00 0.00 C ATOM 0 H ILE A 71 -7.228 -8.587 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.249 -6.486 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.822 -7.691 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.716 -5.010 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.169 -4.999 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.700 -7.354 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.453 -8.210 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.042 -6.484 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.717 -4.857 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.334 -6.376 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.859 -6.387 -0.972 1.00 0.00 H new