USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0885) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -26:sc= 0.579 USER MOD Single : A 29 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.997 K(o=-1,f=-2.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 24:sc= 0.524 USER MOD Single : A 68 THR OG1 : rot 76:sc= 0.0156 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= -0.0713 (180deg=-0.308) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -117:sc= -1.11 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.912 4.059 -3.772 1.00 44.02 N ATOM 178 CA LYS A 13 -1.155 4.465 -5.151 1.00 55.24 C ATOM 179 C LYS A 13 -1.316 3.249 -6.057 1.00 73.11 C ATOM 180 O LYS A 13 -2.096 3.270 -7.010 1.00 12.12 O ATOM 181 CB LYS A 13 -0.007 5.343 -5.656 1.00 75.12 C ATOM 182 CG LYS A 13 -0.314 6.830 -5.613 1.00 34.12 C ATOM 183 CD LYS A 13 0.954 7.663 -5.686 1.00 11.03 C ATOM 184 CE LYS A 13 0.700 9.010 -6.346 1.00 63.30 C ATOM 185 NZ LYS A 13 1.947 9.596 -6.911 1.00 4.24 N ATOM 0 HA LYS A 13 -2.081 5.039 -5.176 1.00 55.24 H new ATOM 0 HB2 LYS A 13 0.881 5.146 -5.055 1.00 75.12 H new ATOM 0 HB3 LYS A 13 0.232 5.059 -6.681 1.00 75.12 H new ATOM 0 HG2 LYS A 13 -0.970 7.091 -6.443 1.00 34.12 H new ATOM 0 HG3 LYS A 13 -0.852 7.065 -4.695 1.00 34.12 H new ATOM 0 HD2 LYS A 13 1.347 7.818 -4.681 1.00 11.03 H new ATOM 0 HD3 LYS A 13 1.715 7.120 -6.246 1.00 11.03 H new ATOM 0 HE2 LYS A 13 -0.038 8.892 -7.140 1.00 63.30 H new ATOM 0 HE3 LYS A 13 0.274 9.698 -5.615 1.00 63.30 H new ATOM 0 HZ1 LYS A 13 1.731 10.513 -7.352 1.00 4.24 H new ATOM 0 HZ2 LYS A 13 2.642 9.733 -6.150 1.00 4.24 H new ATOM 0 HZ3 LYS A 13 2.340 8.952 -7.627 1.00 4.24 H new ATOM 199 N LEU A 14 -0.575 2.190 -5.754 1.00 24.35 N ATOM 200 CA LEU A 14 -0.636 0.962 -6.539 1.00 44.31 C ATOM 201 C LEU A 14 -1.969 0.250 -6.334 1.00 71.44 C ATOM 202 O LEU A 14 -2.647 -0.108 -7.298 1.00 32.42 O ATOM 203 CB LEU A 14 0.516 0.031 -6.158 1.00 3.43 C ATOM 204 CG LEU A 14 1.765 0.114 -7.037 1.00 24.12 C ATOM 205 CD1 LEU A 14 1.453 -0.343 -8.453 1.00 23.04 C ATOM 206 CD2 LEU A 14 2.321 1.531 -7.041 1.00 22.14 C ATOM 0 H LEU A 14 0.076 2.156 -4.969 1.00 24.35 H new ATOM 0 HA LEU A 14 -0.546 1.229 -7.592 1.00 44.31 H new ATOM 0 HB2 LEU A 14 0.805 0.246 -5.129 1.00 3.43 H new ATOM 0 HB3 LEU A 14 0.149 -0.995 -6.178 1.00 3.43 H new ATOM 0 HG LEU A 14 2.523 -0.551 -6.622 1.00 24.12 H new ATOM 0 HD11 LEU A 14 2.354 -0.277 -9.063 1.00 23.04 H new ATOM 0 HD12 LEU A 14 1.103 -1.375 -8.433 1.00 23.04 H new ATOM 0 HD13 LEU A 14 0.678 0.295 -8.879 1.00 23.04 H new ATOM 0 HD21 LEU A 14 3.209 1.572 -7.671 1.00 22.14 H new ATOM 0 HD22 LEU A 14 1.568 2.216 -7.431 1.00 22.14 H new ATOM 0 HD23 LEU A 14 2.584 1.821 -6.024 1.00 22.14 H new ATOM 218 N TYR A 15 -2.340 0.050 -5.075 1.00 72.41 N ATOM 219 CA TYR A 15 -3.593 -0.618 -4.743 1.00 40.12 C ATOM 220 C TYR A 15 -4.788 0.189 -5.238 1.00 71.24 C ATOM 221 O TYR A 15 -5.666 -0.335 -5.926 1.00 4.35 O ATOM 222 CB TYR A 15 -3.696 -0.832 -3.232 1.00 71.34 C ATOM 223 CG TYR A 15 -4.951 -1.563 -2.810 1.00 25.22 C ATOM 224 CD1 TYR A 15 -5.026 -2.949 -2.876 1.00 5.14 C ATOM 225 CD2 TYR A 15 -6.060 -0.868 -2.343 1.00 43.31 C ATOM 226 CE1 TYR A 15 -6.170 -3.622 -2.491 1.00 33.14 C ATOM 227 CE2 TYR A 15 -7.207 -1.533 -1.955 1.00 32.00 C ATOM 228 CZ TYR A 15 -7.258 -2.908 -2.031 1.00 2.10 C ATOM 229 OH TYR A 15 -8.398 -3.574 -1.645 1.00 63.13 O ATOM 0 H TYR A 15 -1.791 0.341 -4.266 1.00 72.41 H new ATOM 0 HA TYR A 15 -3.602 -1.587 -5.241 1.00 40.12 H new ATOM 0 HB2 TYR A 15 -2.826 -1.394 -2.893 1.00 71.34 H new ATOM 0 HB3 TYR A 15 -3.664 0.137 -2.733 1.00 71.34 H new ATOM 0 HD1 TYR A 15 -4.176 -3.510 -3.234 1.00 5.14 H new ATOM 0 HD2 TYR A 15 -6.025 0.210 -2.282 1.00 43.31 H new ATOM 0 HE1 TYR A 15 -6.212 -4.700 -2.550 1.00 33.14 H new ATOM 0 HE2 TYR A 15 -8.060 -0.978 -1.594 1.00 32.00 H new ATOM 0 HH TYR A 15 -9.070 -2.926 -1.346 1.00 63.13 H new ATOM 239 N LYS A 16 -4.818 1.469 -4.883 1.00 40.03 N ATOM 240 CA LYS A 16 -5.903 2.352 -5.291 1.00 72.55 C ATOM 241 C LYS A 16 -5.992 2.440 -6.811 1.00 64.23 C ATOM 242 O LYS A 16 -7.029 2.812 -7.361 1.00 54.30 O ATOM 243 CB LYS A 16 -5.701 3.749 -4.700 1.00 35.43 C ATOM 244 CG LYS A 16 -4.673 4.582 -5.445 1.00 53.14 C ATOM 245 CD LYS A 16 -5.334 5.650 -6.301 1.00 41.43 C ATOM 246 CE LYS A 16 -4.406 6.132 -7.407 1.00 24.54 C ATOM 247 NZ LYS A 16 -5.143 6.398 -8.672 1.00 74.11 N ATOM 0 H LYS A 16 -4.102 1.918 -4.313 1.00 40.03 H new ATOM 0 HA LYS A 16 -6.837 1.936 -4.914 1.00 72.55 H new ATOM 0 HB2 LYS A 16 -6.655 4.277 -4.703 1.00 35.43 H new ATOM 0 HB3 LYS A 16 -5.393 3.653 -3.659 1.00 35.43 H new ATOM 0 HG2 LYS A 16 -3.998 5.053 -4.730 1.00 53.14 H new ATOM 0 HG3 LYS A 16 -4.066 3.933 -6.076 1.00 53.14 H new ATOM 0 HD2 LYS A 16 -6.249 5.251 -6.740 1.00 41.43 H new ATOM 0 HD3 LYS A 16 -5.623 6.493 -5.674 1.00 41.43 H new ATOM 0 HE2 LYS A 16 -3.898 7.041 -7.085 1.00 24.54 H new ATOM 0 HE3 LYS A 16 -3.635 5.383 -7.587 1.00 24.54 H new ATOM 0 HZ1 LYS A 16 -4.592 7.053 -9.264 1.00 74.11 H new ATOM 0 HZ2 LYS A 16 -5.286 5.505 -9.185 1.00 74.11 H new ATOM 0 HZ3 LYS A 16 -6.067 6.823 -8.453 1.00 74.11 H new ATOM 261 N ASP A 17 -4.901 2.093 -7.484 1.00 44.10 N ATOM 262 CA ASP A 17 -4.856 2.130 -8.941 1.00 22.00 C ATOM 263 C ASP A 17 -5.398 0.832 -9.534 1.00 11.24 C ATOM 264 O ASP A 17 -5.855 0.804 -10.676 1.00 45.31 O ATOM 265 CB ASP A 17 -3.424 2.367 -9.423 1.00 43.34 C ATOM 266 CG ASP A 17 -3.250 2.052 -10.896 1.00 2.43 C ATOM 267 OD1 ASP A 17 -3.102 0.860 -11.236 1.00 62.40 O ATOM 268 OD2 ASP A 17 -3.261 2.999 -11.709 1.00 33.40 O ATOM 0 H ASP A 17 -4.035 1.783 -7.044 1.00 44.10 H new ATOM 0 HA ASP A 17 -5.485 2.954 -9.279 1.00 22.00 H new ATOM 0 HB2 ASP A 17 -3.150 3.406 -9.242 1.00 43.34 H new ATOM 0 HB3 ASP A 17 -2.740 1.751 -8.839 1.00 43.34 H new ATOM 273 N GLY A 18 -5.343 -0.240 -8.750 1.00 21.02 N ATOM 274 CA GLY A 18 -5.830 -1.525 -9.215 1.00 12.35 C ATOM 275 C GLY A 18 -4.738 -2.575 -9.265 1.00 42.41 C ATOM 276 O GLY A 18 -4.599 -3.291 -10.257 1.00 62.20 O ATOM 0 H GLY A 18 -4.970 -0.241 -7.801 1.00 21.02 H new ATOM 0 HA2 GLY A 18 -6.629 -1.867 -8.557 1.00 12.35 H new ATOM 0 HA3 GLY A 18 -6.263 -1.408 -10.208 1.00 12.35 H new ATOM 280 N VAL A 19 -3.958 -2.668 -8.192 1.00 71.51 N ATOM 281 CA VAL A 19 -2.873 -3.638 -8.118 1.00 2.13 C ATOM 282 C VAL A 19 -3.066 -4.590 -6.943 1.00 0.03 C ATOM 283 O VAL A 19 -3.365 -4.180 -5.822 1.00 30.33 O ATOM 284 CB VAL A 19 -1.506 -2.940 -7.979 1.00 64.23 C ATOM 285 CG1 VAL A 19 -0.384 -3.967 -7.944 1.00 71.34 C ATOM 286 CG2 VAL A 19 -1.298 -1.949 -9.113 1.00 10.42 C ATOM 0 H VAL A 19 -4.058 -2.083 -7.362 1.00 71.51 H new ATOM 0 HA VAL A 19 -2.891 -4.205 -9.048 1.00 2.13 H new ATOM 0 HB VAL A 19 -1.491 -2.389 -7.038 1.00 64.23 H new ATOM 0 HG11 VAL A 19 0.574 -3.456 -7.846 1.00 71.34 H new ATOM 0 HG12 VAL A 19 -0.528 -4.635 -7.095 1.00 71.34 H new ATOM 0 HG13 VAL A 19 -0.393 -4.547 -8.867 1.00 71.34 H new ATOM 0 HG21 VAL A 19 -0.328 -1.465 -9.000 1.00 10.42 H new ATOM 0 HG22 VAL A 19 -1.332 -2.475 -10.067 1.00 10.42 H new ATOM 0 HG23 VAL A 19 -2.085 -1.195 -9.086 1.00 10.42 H new ATOM 296 N PRO A 20 -2.892 -5.895 -7.204 1.00 33.13 N ATOM 297 CA PRO A 20 -3.042 -6.933 -6.181 1.00 30.53 C ATOM 298 C PRO A 20 -1.924 -6.891 -5.143 1.00 74.01 C ATOM 299 O PRO A 20 -0.808 -6.462 -5.436 1.00 12.33 O ATOM 300 CB PRO A 20 -2.977 -8.234 -6.983 1.00 50.24 C ATOM 301 CG PRO A 20 -2.199 -7.887 -8.205 1.00 13.32 C ATOM 302 CD PRO A 20 -2.535 -6.455 -8.517 1.00 50.14 C ATOM 0 HA PRO A 20 -3.964 -6.813 -5.611 1.00 30.53 H new ATOM 0 HB2 PRO A 20 -2.489 -9.026 -6.414 1.00 50.24 H new ATOM 0 HB3 PRO A 20 -3.974 -8.593 -7.237 1.00 50.24 H new ATOM 0 HG2 PRO A 20 -1.129 -8.009 -8.034 1.00 13.32 H new ATOM 0 HG3 PRO A 20 -2.465 -8.540 -9.036 1.00 13.32 H new ATOM 0 HD2 PRO A 20 -1.688 -5.931 -8.961 1.00 50.14 H new ATOM 0 HD3 PRO A 20 -3.362 -6.381 -9.224 1.00 50.14 H new ATOM 310 N VAL A 21 -2.231 -7.339 -3.930 1.00 73.44 N ATOM 311 CA VAL A 21 -1.252 -7.354 -2.851 1.00 23.22 C ATOM 312 C VAL A 21 0.021 -8.077 -3.273 1.00 40.33 C ATOM 313 O VAL A 21 1.131 -7.637 -2.967 1.00 72.43 O ATOM 314 CB VAL A 21 -1.818 -8.031 -1.588 1.00 72.15 C ATOM 315 CG1 VAL A 21 -2.893 -7.162 -0.952 1.00 50.42 C ATOM 316 CG2 VAL A 21 -2.366 -9.410 -1.924 1.00 32.04 C ATOM 0 H VAL A 21 -3.150 -7.696 -3.670 1.00 73.44 H new ATOM 0 HA VAL A 21 -1.018 -6.314 -2.623 1.00 23.22 H new ATOM 0 HB VAL A 21 -1.009 -8.151 -0.868 1.00 72.15 H new ATOM 0 HG11 VAL A 21 -3.281 -7.657 -0.061 1.00 50.42 H new ATOM 0 HG12 VAL A 21 -2.465 -6.199 -0.675 1.00 50.42 H new ATOM 0 HG13 VAL A 21 -3.704 -7.008 -1.664 1.00 50.42 H new ATOM 0 HG21 VAL A 21 -2.762 -9.874 -1.021 1.00 32.04 H new ATOM 0 HG22 VAL A 21 -3.162 -9.315 -2.662 1.00 32.04 H new ATOM 0 HG23 VAL A 21 -1.567 -10.030 -2.330 1.00 32.04 H new ATOM 326 N LYS A 22 -0.143 -9.190 -3.980 1.00 23.42 N ATOM 327 CA LYS A 22 0.992 -9.976 -4.448 1.00 12.23 C ATOM 328 C LYS A 22 1.973 -9.105 -5.225 1.00 33.02 C ATOM 329 O LYS A 22 3.188 -9.241 -5.079 1.00 34.40 O ATOM 330 CB LYS A 22 0.511 -11.131 -5.329 1.00 0.13 C ATOM 331 CG LYS A 22 -0.536 -10.722 -6.349 1.00 71.34 C ATOM 332 CD LYS A 22 -0.138 -11.138 -7.755 1.00 41.14 C ATOM 333 CE LYS A 22 -0.026 -12.650 -7.879 1.00 32.15 C ATOM 334 NZ LYS A 22 -0.230 -13.108 -9.280 1.00 64.25 N ATOM 0 H LYS A 22 -1.053 -9.568 -4.242 1.00 23.42 H new ATOM 0 HA LYS A 22 1.505 -10.382 -3.576 1.00 12.23 H new ATOM 0 HB2 LYS A 22 1.367 -11.560 -5.851 1.00 0.13 H new ATOM 0 HB3 LYS A 22 0.100 -11.915 -4.693 1.00 0.13 H new ATOM 0 HG2 LYS A 22 -1.493 -11.176 -6.091 1.00 71.34 H new ATOM 0 HG3 LYS A 22 -0.676 -9.642 -6.314 1.00 71.34 H new ATOM 0 HD2 LYS A 22 -0.875 -10.767 -8.467 1.00 41.14 H new ATOM 0 HD3 LYS A 22 0.816 -10.679 -8.015 1.00 41.14 H new ATOM 0 HE2 LYS A 22 0.956 -12.971 -7.531 1.00 32.15 H new ATOM 0 HE3 LYS A 22 -0.764 -13.123 -7.231 1.00 32.15 H new ATOM 0 HZ1 LYS A 22 -0.146 -14.144 -9.322 1.00 64.25 H new ATOM 0 HZ2 LYS A 22 -1.177 -12.824 -9.604 1.00 64.25 H new ATOM 0 HZ3 LYS A 22 0.490 -12.677 -9.894 1.00 64.25 H new ATOM 348 N GLU A 23 1.439 -8.209 -6.049 1.00 33.41 N ATOM 349 CA GLU A 23 2.268 -7.315 -6.848 1.00 2.02 C ATOM 350 C GLU A 23 2.795 -6.160 -6.001 1.00 4.10 C ATOM 351 O GLU A 23 3.987 -5.850 -6.027 1.00 5.11 O ATOM 352 CB GLU A 23 1.472 -6.770 -8.035 1.00 15.35 C ATOM 353 CG GLU A 23 2.190 -5.664 -8.792 1.00 61.14 C ATOM 354 CD GLU A 23 3.549 -6.096 -9.307 1.00 31.04 C ATOM 355 OE1 GLU A 23 3.790 -7.319 -9.393 1.00 15.32 O ATOM 356 OE2 GLU A 23 4.371 -5.211 -9.624 1.00 74.34 O ATOM 0 H GLU A 23 0.435 -8.083 -6.181 1.00 33.41 H new ATOM 0 HA GLU A 23 3.118 -7.886 -7.222 1.00 2.02 H new ATOM 0 HB2 GLU A 23 1.255 -7.588 -8.722 1.00 15.35 H new ATOM 0 HB3 GLU A 23 0.515 -6.392 -7.677 1.00 15.35 H new ATOM 0 HG2 GLU A 23 1.573 -5.344 -9.631 1.00 61.14 H new ATOM 0 HG3 GLU A 23 2.311 -4.801 -8.138 1.00 61.14 H new ATOM 363 N ILE A 24 1.899 -5.526 -5.252 1.00 24.31 N ATOM 364 CA ILE A 24 2.274 -4.406 -4.398 1.00 60.20 C ATOM 365 C ILE A 24 3.398 -4.794 -3.444 1.00 42.32 C ATOM 366 O ILE A 24 4.281 -3.989 -3.148 1.00 70.21 O ATOM 367 CB ILE A 24 1.073 -3.898 -3.577 1.00 64.02 C ATOM 368 CG1 ILE A 24 -0.078 -3.506 -4.507 1.00 21.24 C ATOM 369 CG2 ILE A 24 1.485 -2.719 -2.708 1.00 40.53 C ATOM 370 CD1 ILE A 24 -1.408 -3.371 -3.797 1.00 40.35 C ATOM 0 H ILE A 24 0.909 -5.769 -5.219 1.00 24.31 H new ATOM 0 HA ILE A 24 2.618 -3.609 -5.057 1.00 60.20 H new ATOM 0 HB ILE A 24 0.731 -4.702 -2.925 1.00 64.02 H new ATOM 0 HG12 ILE A 24 0.163 -2.560 -4.992 1.00 21.24 H new ATOM 0 HG13 ILE A 24 -0.170 -4.254 -5.294 1.00 21.24 H new ATOM 0 HG21 ILE A 24 0.626 -2.372 -2.134 1.00 40.53 H new ATOM 0 HG22 ILE A 24 2.276 -3.029 -2.025 1.00 40.53 H new ATOM 0 HG23 ILE A 24 1.849 -1.910 -3.341 1.00 40.53 H new ATOM 0 HD11 ILE A 24 -2.178 -3.091 -4.516 1.00 40.35 H new ATOM 0 HD12 ILE A 24 -1.672 -4.322 -3.335 1.00 40.35 H new ATOM 0 HD13 ILE A 24 -1.334 -2.602 -3.028 1.00 40.35 H new ATOM 382 N ALA A 25 3.362 -6.034 -2.968 1.00 22.45 N ATOM 383 CA ALA A 25 4.380 -6.530 -2.051 1.00 25.12 C ATOM 384 C ALA A 25 5.770 -6.436 -2.670 1.00 53.41 C ATOM 385 O ALA A 25 6.726 -6.016 -2.017 1.00 62.45 O ATOM 386 CB ALA A 25 4.076 -7.967 -1.651 1.00 61.51 C ATOM 0 H ALA A 25 2.638 -6.714 -3.202 1.00 22.45 H new ATOM 0 HA ALA A 25 4.364 -5.904 -1.159 1.00 25.12 H new ATOM 0 HB1 ALA A 25 4.845 -8.324 -0.966 1.00 61.51 H new ATOM 0 HB2 ALA A 25 3.104 -8.010 -1.160 1.00 61.51 H new ATOM 0 HB3 ALA A 25 4.061 -8.597 -2.540 1.00 61.51 H new ATOM 392 N LYS A 26 5.877 -6.829 -3.935 1.00 60.30 N ATOM 393 CA LYS A 26 7.150 -6.789 -4.644 1.00 54.24 C ATOM 394 C LYS A 26 7.568 -5.349 -4.930 1.00 25.32 C ATOM 395 O LYS A 26 8.702 -4.957 -4.655 1.00 32.34 O ATOM 396 CB LYS A 26 7.052 -7.571 -5.956 1.00 41.11 C ATOM 397 CG LYS A 26 6.446 -8.955 -5.795 1.00 72.22 C ATOM 398 CD LYS A 26 7.208 -9.782 -4.773 1.00 40.42 C ATOM 399 CE LYS A 26 8.644 -10.025 -5.213 1.00 54.21 C ATOM 400 NZ LYS A 26 9.237 -11.212 -4.538 1.00 11.34 N ATOM 0 H LYS A 26 5.096 -7.179 -4.490 1.00 60.30 H new ATOM 0 HA LYS A 26 7.906 -7.250 -4.008 1.00 54.24 H new ATOM 0 HB2 LYS A 26 6.452 -7.001 -6.665 1.00 41.11 H new ATOM 0 HB3 LYS A 26 8.048 -7.668 -6.387 1.00 41.11 H new ATOM 0 HG2 LYS A 26 5.405 -8.864 -5.487 1.00 72.22 H new ATOM 0 HG3 LYS A 26 6.450 -9.469 -6.756 1.00 72.22 H new ATOM 0 HD2 LYS A 26 7.203 -9.269 -3.811 1.00 40.42 H new ATOM 0 HD3 LYS A 26 6.704 -10.737 -4.628 1.00 40.42 H new ATOM 0 HE2 LYS A 26 8.674 -10.169 -6.293 1.00 54.21 H new ATOM 0 HE3 LYS A 26 9.246 -9.143 -4.992 1.00 54.21 H new ATOM 0 HZ1 LYS A 26 10.216 -11.344 -4.864 1.00 11.34 H new ATOM 0 HZ2 LYS A 26 9.232 -11.064 -3.509 1.00 11.34 H new ATOM 0 HZ3 LYS A 26 8.678 -12.058 -4.769 1.00 11.34 H new ATOM 414 N ARG A 27 6.646 -4.568 -5.481 1.00 24.54 N ATOM 415 CA ARG A 27 6.919 -3.173 -5.803 1.00 33.14 C ATOM 416 C ARG A 27 7.361 -2.405 -4.560 1.00 72.11 C ATOM 417 O ARG A 27 8.378 -1.711 -4.575 1.00 70.32 O ATOM 418 CB ARG A 27 5.678 -2.513 -6.408 1.00 24.41 C ATOM 419 CG ARG A 27 5.447 -2.874 -7.865 1.00 60.02 C ATOM 420 CD ARG A 27 5.214 -1.635 -8.716 1.00 43.12 C ATOM 421 NE ARG A 27 5.791 -1.772 -10.050 1.00 50.53 N ATOM 422 CZ ARG A 27 7.099 -1.804 -10.286 1.00 62.42 C ATOM 423 NH1 ARG A 27 7.959 -1.712 -9.282 1.00 4.23 N ATOM 424 NH2 ARG A 27 7.547 -1.931 -11.528 1.00 51.11 N ATOM 0 H ARG A 27 5.702 -4.878 -5.714 1.00 24.54 H new ATOM 0 HA ARG A 27 7.728 -3.147 -6.533 1.00 33.14 H new ATOM 0 HB2 ARG A 27 4.803 -2.803 -5.827 1.00 24.41 H new ATOM 0 HB3 ARG A 27 5.773 -1.431 -6.321 1.00 24.41 H new ATOM 0 HG2 ARG A 27 6.309 -3.422 -8.246 1.00 60.02 H new ATOM 0 HG3 ARG A 27 4.586 -3.538 -7.944 1.00 60.02 H new ATOM 0 HD2 ARG A 27 4.143 -1.450 -8.801 1.00 43.12 H new ATOM 0 HD3 ARG A 27 5.649 -0.767 -8.220 1.00 43.12 H new ATOM 0 HE ARG A 27 5.156 -1.847 -10.845 1.00 50.53 H new ATOM 0 HH11 ARG A 27 7.618 -1.616 -8.325 1.00 4.23 H new ATOM 0 HH12 ARG A 27 8.962 -1.737 -9.466 1.00 4.23 H new ATOM 0 HH21 ARG A 27 6.888 -2.004 -12.303 1.00 51.11 H new ATOM 0 HH22 ARG A 27 8.551 -1.955 -11.708 1.00 51.11 H new ATOM 438 N SER A 28 6.591 -2.535 -3.484 1.00 75.45 N ATOM 439 CA SER A 28 6.900 -1.851 -2.235 1.00 14.00 C ATOM 440 C SER A 28 7.973 -2.603 -1.455 1.00 34.03 C ATOM 441 O SER A 28 8.469 -2.120 -0.438 1.00 2.42 O ATOM 442 CB SER A 28 5.639 -1.709 -1.381 1.00 75.43 C ATOM 443 OG SER A 28 5.939 -1.146 -0.116 1.00 15.13 O ATOM 0 H SER A 28 5.748 -3.108 -3.453 1.00 75.45 H new ATOM 0 HA SER A 28 7.280 -0.859 -2.478 1.00 14.00 H new ATOM 0 HB2 SER A 28 4.914 -1.081 -1.899 1.00 75.43 H new ATOM 0 HB3 SER A 28 5.175 -2.686 -1.247 1.00 75.43 H new ATOM 0 HG SER A 28 6.870 -1.342 0.117 1.00 15.13 H new ATOM 449 N ASN A 29 8.327 -3.788 -1.940 1.00 2.12 N ATOM 450 CA ASN A 29 9.341 -4.610 -1.289 1.00 14.23 C ATOM 451 C ASN A 29 8.948 -4.920 0.152 1.00 55.30 C ATOM 452 O ASN A 29 9.802 -5.020 1.032 1.00 63.24 O ATOM 453 CB ASN A 29 10.697 -3.899 -1.318 1.00 1.04 C ATOM 454 CG ASN A 29 11.284 -3.831 -2.714 1.00 20.45 C ATOM 455 OD1 ASN A 29 11.551 -2.747 -3.234 1.00 21.12 O ATOM 456 ND2 ASN A 29 11.488 -4.991 -3.327 1.00 72.13 N ATOM 0 H ASN A 29 7.927 -4.201 -2.782 1.00 2.12 H new ATOM 0 HA ASN A 29 9.418 -5.550 -1.835 1.00 14.23 H new ATOM 0 HB2 ASN A 29 10.583 -2.889 -0.925 1.00 1.04 H new ATOM 0 HB3 ASN A 29 11.392 -4.420 -0.660 1.00 1.04 H new ATOM 0 HD21 ASN A 29 11.881 -5.008 -4.268 1.00 72.13 H new ATOM 0 HD22 ASN A 29 11.251 -5.865 -2.857 1.00 72.13 H new ATOM 463 N ASN A 30 7.648 -5.071 0.385 1.00 73.13 N ATOM 464 CA ASN A 30 7.140 -5.370 1.719 1.00 3.51 C ATOM 465 C ASN A 30 6.562 -6.781 1.776 1.00 33.12 C ATOM 466 O ASN A 30 6.564 -7.506 0.781 1.00 14.31 O ATOM 467 CB ASN A 30 6.072 -4.352 2.121 1.00 11.21 C ATOM 468 CG ASN A 30 6.637 -3.223 2.962 1.00 62.15 C ATOM 469 OD1 ASN A 30 7.845 -3.146 3.186 1.00 32.12 O ATOM 470 ND2 ASN A 30 5.762 -2.340 3.431 1.00 5.55 N ATOM 0 H ASN A 30 6.927 -4.991 -0.333 1.00 73.13 H new ATOM 0 HA ASN A 30 7.972 -5.308 2.420 1.00 3.51 H new ATOM 0 HB2 ASN A 30 5.612 -3.938 1.224 1.00 11.21 H new ATOM 0 HB3 ASN A 30 5.284 -4.858 2.679 1.00 11.21 H new ATOM 0 HD21 ASN A 30 6.083 -1.558 4.002 1.00 5.55 H new ATOM 0 HD22 ASN A 30 4.770 -2.444 3.220 1.00 5.55 H new ATOM 477 N SER A 31 6.066 -7.163 2.949 1.00 23.51 N ATOM 478 CA SER A 31 5.486 -8.488 3.138 1.00 72.32 C ATOM 479 C SER A 31 3.978 -8.459 2.912 1.00 52.12 C ATOM 480 O SER A 31 3.345 -7.408 3.009 1.00 12.21 O ATOM 481 CB SER A 31 5.792 -9.005 4.545 1.00 65.12 C ATOM 482 OG SER A 31 6.485 -10.240 4.495 1.00 2.12 O ATOM 0 H SER A 31 6.054 -6.574 3.782 1.00 23.51 H new ATOM 0 HA SER A 31 5.932 -9.161 2.406 1.00 72.32 H new ATOM 0 HB2 SER A 31 6.390 -8.270 5.084 1.00 65.12 H new ATOM 0 HB3 SER A 31 4.862 -9.128 5.101 1.00 65.12 H new ATOM 0 HG SER A 31 6.670 -10.548 5.407 1.00 2.12 H new ATOM 488 N MET A 32 3.409 -9.621 2.609 1.00 72.14 N ATOM 489 CA MET A 32 1.974 -9.729 2.368 1.00 20.01 C ATOM 490 C MET A 32 1.182 -9.150 3.537 1.00 50.41 C ATOM 491 O MET A 32 0.174 -8.471 3.340 1.00 44.43 O ATOM 492 CB MET A 32 1.581 -11.191 2.146 1.00 0.33 C ATOM 493 CG MET A 32 1.065 -11.474 0.745 1.00 42.20 C ATOM 494 SD MET A 32 0.221 -13.062 0.624 1.00 65.52 S ATOM 495 CE MET A 32 1.567 -14.124 0.104 1.00 53.12 C ATOM 0 H MET A 32 3.919 -10.501 2.524 1.00 72.14 H new ATOM 0 HA MET A 32 1.737 -9.156 1.471 1.00 20.01 H new ATOM 0 HB2 MET A 32 2.446 -11.825 2.341 1.00 0.33 H new ATOM 0 HB3 MET A 32 0.814 -11.467 2.870 1.00 0.33 H new ATOM 0 HG2 MET A 32 0.381 -10.680 0.447 1.00 42.20 H new ATOM 0 HG3 MET A 32 1.900 -11.456 0.044 1.00 42.20 H new ATOM 0 HE1 MET A 32 1.201 -15.144 -0.014 1.00 53.12 H new ATOM 0 HE2 MET A 32 1.964 -13.769 -0.847 1.00 53.12 H new ATOM 0 HE3 MET A 32 2.356 -14.106 0.856 1.00 53.12 H new ATOM 505 N SER A 33 1.646 -9.423 4.753 1.00 55.14 N ATOM 506 CA SER A 33 0.978 -8.932 5.953 1.00 63.43 C ATOM 507 C SER A 33 1.290 -7.457 6.183 1.00 10.45 C ATOM 508 O SER A 33 0.592 -6.771 6.931 1.00 24.24 O ATOM 509 CB SER A 33 1.406 -9.752 7.171 1.00 64.34 C ATOM 510 OG SER A 33 0.432 -10.730 7.495 1.00 44.14 O ATOM 0 H SER A 33 2.481 -9.981 4.933 1.00 55.14 H new ATOM 0 HA SER A 33 -0.097 -9.040 5.811 1.00 63.43 H new ATOM 0 HB2 SER A 33 2.361 -10.238 6.969 1.00 64.34 H new ATOM 0 HB3 SER A 33 1.559 -9.090 8.023 1.00 64.34 H new ATOM 0 HG SER A 33 0.730 -11.242 8.276 1.00 44.14 H new ATOM 516 N THR A 34 2.346 -6.973 5.535 1.00 13.10 N ATOM 517 CA THR A 34 2.753 -5.580 5.669 1.00 24.51 C ATOM 518 C THR A 34 1.969 -4.684 4.718 1.00 71.21 C ATOM 519 O THR A 34 1.411 -3.665 5.127 1.00 43.24 O ATOM 520 CB THR A 34 4.259 -5.407 5.396 1.00 21.43 C ATOM 521 OG1 THR A 34 5.007 -6.369 6.147 1.00 70.41 O ATOM 522 CG2 THR A 34 4.717 -4.003 5.763 1.00 24.42 C ATOM 0 H THR A 34 2.935 -7.526 4.912 1.00 13.10 H new ATOM 0 HA THR A 34 2.541 -5.286 6.697 1.00 24.51 H new ATOM 0 HB THR A 34 4.433 -5.563 4.331 1.00 21.43 H new ATOM 0 HG1 THR A 34 5.963 -6.253 5.966 1.00 70.41 H new ATOM 0 HG21 THR A 34 5.784 -3.904 5.562 1.00 24.42 H new ATOM 0 HG22 THR A 34 4.166 -3.274 5.169 1.00 24.42 H new ATOM 0 HG23 THR A 34 4.529 -3.824 6.822 1.00 24.42 H new ATOM 530 N VAL A 35 1.930 -5.070 3.446 1.00 13.13 N ATOM 531 CA VAL A 35 1.212 -4.301 2.436 1.00 12.41 C ATOM 532 C VAL A 35 -0.276 -4.225 2.758 1.00 22.23 C ATOM 533 O VAL A 35 -0.842 -3.138 2.874 1.00 61.34 O ATOM 534 CB VAL A 35 1.392 -4.912 1.034 1.00 0.51 C ATOM 535 CG1 VAL A 35 0.330 -4.385 0.082 1.00 52.44 C ATOM 536 CG2 VAL A 35 2.787 -4.621 0.502 1.00 41.43 C ATOM 0 H VAL A 35 2.387 -5.910 3.091 1.00 13.13 H new ATOM 0 HA VAL A 35 1.634 -3.296 2.444 1.00 12.41 H new ATOM 0 HB VAL A 35 1.274 -5.993 1.110 1.00 0.51 H new ATOM 0 HG11 VAL A 35 0.473 -4.828 -0.904 1.00 52.44 H new ATOM 0 HG12 VAL A 35 -0.659 -4.648 0.458 1.00 52.44 H new ATOM 0 HG13 VAL A 35 0.413 -3.301 0.008 1.00 52.44 H new ATOM 0 HG21 VAL A 35 2.897 -5.060 -0.490 1.00 41.43 H new ATOM 0 HG22 VAL A 35 2.935 -3.543 0.440 1.00 41.43 H new ATOM 0 HG23 VAL A 35 3.530 -5.051 1.174 1.00 41.43 H new ATOM 546 N TYR A 36 -0.904 -5.387 2.902 1.00 64.30 N ATOM 547 CA TYR A 36 -2.329 -5.453 3.209 1.00 4.52 C ATOM 548 C TYR A 36 -2.662 -4.605 4.432 1.00 3.24 C ATOM 549 O TYR A 36 -3.699 -3.943 4.481 1.00 62.11 O ATOM 550 CB TYR A 36 -2.753 -6.903 3.447 1.00 32.14 C ATOM 551 CG TYR A 36 -4.233 -7.140 3.250 1.00 24.11 C ATOM 552 CD1 TYR A 36 -5.162 -6.654 4.162 1.00 52.23 C ATOM 553 CD2 TYR A 36 -4.703 -7.852 2.154 1.00 65.33 C ATOM 554 CE1 TYR A 36 -6.516 -6.869 3.986 1.00 14.32 C ATOM 555 CE2 TYR A 36 -6.054 -8.071 1.969 1.00 30.21 C ATOM 556 CZ TYR A 36 -6.957 -7.578 2.888 1.00 33.23 C ATOM 557 OH TYR A 36 -8.304 -7.795 2.709 1.00 15.13 O ATOM 0 H TYR A 36 -0.449 -6.296 2.811 1.00 64.30 H new ATOM 0 HA TYR A 36 -2.879 -5.057 2.355 1.00 4.52 H new ATOM 0 HB2 TYR A 36 -2.196 -7.551 2.770 1.00 32.14 H new ATOM 0 HB3 TYR A 36 -2.479 -7.191 4.462 1.00 32.14 H new ATOM 0 HD1 TYR A 36 -4.820 -6.099 5.023 1.00 52.23 H new ATOM 0 HD2 TYR A 36 -3.999 -8.241 1.433 1.00 65.33 H new ATOM 0 HE1 TYR A 36 -7.225 -6.484 4.704 1.00 14.32 H new ATOM 0 HE2 TYR A 36 -6.402 -8.625 1.110 1.00 30.21 H new ATOM 0 HH TYR A 36 -8.446 -8.309 1.887 1.00 15.13 H new ATOM 567 N LYS A 37 -1.774 -4.630 5.421 1.00 44.23 N ATOM 568 CA LYS A 37 -1.970 -3.864 6.646 1.00 41.30 C ATOM 569 C LYS A 37 -2.051 -2.370 6.345 1.00 25.13 C ATOM 570 O LYS A 37 -2.717 -1.620 7.058 1.00 51.14 O ATOM 571 CB LYS A 37 -0.831 -4.136 7.630 1.00 23.34 C ATOM 572 CG LYS A 37 -1.207 -5.097 8.744 1.00 31.24 C ATOM 573 CD LYS A 37 -1.211 -4.407 10.098 1.00 73.51 C ATOM 574 CE LYS A 37 -1.793 -5.304 11.180 1.00 62.43 C ATOM 575 NZ LYS A 37 -1.194 -5.025 12.514 1.00 61.04 N ATOM 0 H LYS A 37 -0.911 -5.173 5.397 1.00 44.23 H new ATOM 0 HA LYS A 37 -2.912 -4.178 7.095 1.00 41.30 H new ATOM 0 HB2 LYS A 37 0.021 -4.541 7.084 1.00 23.34 H new ATOM 0 HB3 LYS A 37 -0.508 -3.192 8.069 1.00 23.34 H new ATOM 0 HG2 LYS A 37 -2.193 -5.517 8.546 1.00 31.24 H new ATOM 0 HG3 LYS A 37 -0.503 -5.929 8.761 1.00 31.24 H new ATOM 0 HD2 LYS A 37 -0.193 -4.125 10.367 1.00 73.51 H new ATOM 0 HD3 LYS A 37 -1.791 -3.486 10.036 1.00 73.51 H new ATOM 0 HE2 LYS A 37 -2.872 -5.160 11.229 1.00 62.43 H new ATOM 0 HE3 LYS A 37 -1.623 -6.348 10.917 1.00 62.43 H new ATOM 0 HZ1 LYS A 37 -1.617 -5.657 13.224 1.00 61.04 H new ATOM 0 HZ2 LYS A 37 -0.167 -5.187 12.474 1.00 61.04 H new ATOM 0 HZ3 LYS A 37 -1.378 -4.036 12.777 1.00 61.04 H new ATOM 589 N ALA A 38 -1.368 -1.946 5.286 1.00 20.53 N ATOM 590 CA ALA A 38 -1.366 -0.543 4.891 1.00 21.10 C ATOM 591 C ALA A 38 -2.658 -0.174 4.171 1.00 3.13 C ATOM 592 O ALA A 38 -3.207 0.910 4.376 1.00 64.30 O ATOM 593 CB ALA A 38 -0.163 -0.246 4.007 1.00 22.20 C ATOM 0 H ALA A 38 -0.810 -2.554 4.687 1.00 20.53 H new ATOM 0 HA ALA A 38 -1.298 0.064 5.794 1.00 21.10 H new ATOM 0 HB1 ALA A 38 -0.174 0.805 3.719 1.00 22.20 H new ATOM 0 HB2 ALA A 38 0.754 -0.463 4.555 1.00 22.20 H new ATOM 0 HB3 ALA A 38 -0.206 -0.868 3.113 1.00 22.20 H new ATOM 599 N LEU A 39 -3.139 -1.079 3.327 1.00 4.30 N ATOM 600 CA LEU A 39 -4.367 -0.848 2.575 1.00 24.51 C ATOM 601 C LEU A 39 -5.547 -0.624 3.515 1.00 32.35 C ATOM 602 O LEU A 39 -6.297 0.341 3.368 1.00 42.54 O ATOM 603 CB LEU A 39 -4.655 -2.034 1.652 1.00 11.21 C ATOM 604 CG LEU A 39 -3.487 -2.508 0.785 1.00 34.13 C ATOM 605 CD1 LEU A 39 -3.876 -3.749 -0.001 1.00 72.04 C ATOM 606 CD2 LEU A 39 -3.036 -1.398 -0.154 1.00 24.21 C ATOM 0 H LEU A 39 -2.697 -1.980 3.146 1.00 4.30 H new ATOM 0 HA LEU A 39 -4.230 0.049 1.972 1.00 24.51 H new ATOM 0 HB2 LEU A 39 -4.991 -2.871 2.263 1.00 11.21 H new ATOM 0 HB3 LEU A 39 -5.483 -1.766 0.996 1.00 11.21 H new ATOM 0 HG LEU A 39 -2.653 -2.764 1.439 1.00 34.13 H new ATOM 0 HD11 LEU A 39 -3.033 -4.072 -0.612 1.00 72.04 H new ATOM 0 HD12 LEU A 39 -4.150 -4.546 0.690 1.00 72.04 H new ATOM 0 HD13 LEU A 39 -4.725 -3.520 -0.646 1.00 72.04 H new ATOM 0 HD21 LEU A 39 -2.205 -1.752 -0.763 1.00 24.21 H new ATOM 0 HD22 LEU A 39 -3.864 -1.111 -0.802 1.00 24.21 H new ATOM 0 HD23 LEU A 39 -2.716 -0.535 0.430 1.00 24.21 H new ATOM 618 N GLU A 40 -5.705 -1.521 4.484 1.00 41.51 N ATOM 619 CA GLU A 40 -6.792 -1.420 5.450 1.00 14.11 C ATOM 620 C GLU A 40 -6.730 -0.094 6.203 1.00 64.23 C ATOM 621 O GLU A 40 -7.758 0.469 6.580 1.00 63.14 O ATOM 622 CB GLU A 40 -6.735 -2.584 6.440 1.00 65.03 C ATOM 623 CG GLU A 40 -5.384 -2.742 7.117 1.00 73.42 C ATOM 624 CD GLU A 40 -5.435 -3.675 8.311 1.00 65.44 C ATOM 625 OE1 GLU A 40 -6.355 -4.518 8.365 1.00 63.02 O ATOM 626 OE2 GLU A 40 -4.557 -3.563 9.192 1.00 12.51 O ATOM 0 H GLU A 40 -5.093 -2.326 4.620 1.00 41.51 H new ATOM 0 HA GLU A 40 -7.734 -1.464 4.903 1.00 14.11 H new ATOM 0 HB2 GLU A 40 -7.500 -2.439 7.203 1.00 65.03 H new ATOM 0 HB3 GLU A 40 -6.980 -3.508 5.916 1.00 65.03 H new ATOM 0 HG2 GLU A 40 -4.662 -3.122 6.394 1.00 73.42 H new ATOM 0 HG3 GLU A 40 -5.027 -1.764 7.440 1.00 73.42 H new ATOM 633 N LYS A 41 -5.516 0.400 6.418 1.00 31.14 N ATOM 634 CA LYS A 41 -5.316 1.659 7.125 1.00 1.03 C ATOM 635 C LYS A 41 -5.584 2.847 6.208 1.00 72.03 C ATOM 636 O LYS A 41 -6.122 3.869 6.637 1.00 22.53 O ATOM 637 CB LYS A 41 -3.890 1.739 7.676 1.00 24.21 C ATOM 638 CG LYS A 41 -3.825 1.771 9.193 1.00 32.42 C ATOM 639 CD LYS A 41 -4.041 0.390 9.791 1.00 11.22 C ATOM 640 CE LYS A 41 -5.502 0.157 10.142 1.00 11.30 C ATOM 641 NZ LYS A 41 -5.659 -0.869 11.211 1.00 14.34 N ATOM 0 H LYS A 41 -4.655 -0.053 6.112 1.00 31.14 H new ATOM 0 HA LYS A 41 -6.022 1.696 7.955 1.00 1.03 H new ATOM 0 HB2 LYS A 41 -3.321 0.882 7.314 1.00 24.21 H new ATOM 0 HB3 LYS A 41 -3.406 2.632 7.281 1.00 24.21 H new ATOM 0 HG2 LYS A 41 -2.856 2.157 9.508 1.00 32.42 H new ATOM 0 HG3 LYS A 41 -4.581 2.456 9.576 1.00 32.42 H new ATOM 0 HD2 LYS A 41 -3.710 -0.370 9.083 1.00 11.22 H new ATOM 0 HD3 LYS A 41 -3.429 0.280 10.686 1.00 11.22 H new ATOM 0 HE2 LYS A 41 -5.951 1.095 10.470 1.00 11.30 H new ATOM 0 HE3 LYS A 41 -6.043 -0.161 9.251 1.00 11.30 H new ATOM 0 HZ1 LYS A 41 -6.669 -0.999 11.422 1.00 14.34 H new ATOM 0 HZ2 LYS A 41 -5.254 -1.771 10.889 1.00 14.34 H new ATOM 0 HZ3 LYS A 41 -5.164 -0.554 12.070 1.00 14.34 H new ATOM 655 N LEU A 42 -5.207 2.707 4.941 1.00 2.23 N ATOM 656 CA LEU A 42 -5.409 3.769 3.961 1.00 3.33 C ATOM 657 C LEU A 42 -6.889 3.936 3.636 1.00 23.13 C ATOM 658 O LEU A 42 -7.424 5.043 3.688 1.00 5.03 O ATOM 659 CB LEU A 42 -4.625 3.464 2.683 1.00 14.04 C ATOM 660 CG LEU A 42 -3.103 3.419 2.823 1.00 15.15 C ATOM 661 CD1 LEU A 42 -2.508 2.404 1.860 1.00 24.02 C ATOM 662 CD2 LEU A 42 -2.504 4.798 2.584 1.00 45.43 C ATOM 0 H LEU A 42 -4.760 1.869 4.569 1.00 2.23 H new ATOM 0 HA LEU A 42 -5.044 4.702 4.391 1.00 3.33 H new ATOM 0 HB2 LEU A 42 -4.962 2.503 2.294 1.00 14.04 H new ATOM 0 HB3 LEU A 42 -4.879 4.217 1.937 1.00 14.04 H new ATOM 0 HG LEU A 42 -2.860 3.110 3.840 1.00 15.15 H new ATOM 0 HD11 LEU A 42 -1.424 2.386 1.974 1.00 24.02 H new ATOM 0 HD12 LEU A 42 -2.912 1.415 2.078 1.00 24.02 H new ATOM 0 HD13 LEU A 42 -2.761 2.682 0.837 1.00 24.02 H new ATOM 0 HD21 LEU A 42 -1.420 4.747 2.688 1.00 45.43 H new ATOM 0 HD22 LEU A 42 -2.757 5.135 1.579 1.00 45.43 H new ATOM 0 HD23 LEU A 42 -2.906 5.501 3.314 1.00 45.43 H new ATOM 674 N GLU A 43 -7.545 2.829 3.303 1.00 72.11 N ATOM 675 CA GLU A 43 -8.965 2.854 2.971 1.00 62.43 C ATOM 676 C GLU A 43 -9.777 3.480 4.101 1.00 12.30 C ATOM 677 O GLU A 43 -10.695 4.264 3.860 1.00 43.32 O ATOM 678 CB GLU A 43 -9.470 1.438 2.689 1.00 65.44 C ATOM 679 CG GLU A 43 -10.602 1.385 1.676 1.00 13.12 C ATOM 680 CD GLU A 43 -10.936 -0.030 1.246 1.00 33.23 C ATOM 681 OE1 GLU A 43 -10.505 -0.976 1.938 1.00 2.24 O ATOM 682 OE2 GLU A 43 -11.629 -0.192 0.220 1.00 32.45 O ATOM 0 H GLU A 43 -7.117 1.905 3.256 1.00 72.11 H new ATOM 0 HA GLU A 43 -9.092 3.462 2.076 1.00 62.43 H new ATOM 0 HB2 GLU A 43 -8.640 0.831 2.326 1.00 65.44 H new ATOM 0 HB3 GLU A 43 -9.808 0.989 3.623 1.00 65.44 H new ATOM 0 HG2 GLU A 43 -11.490 1.849 2.105 1.00 13.12 H new ATOM 0 HG3 GLU A 43 -10.327 1.972 0.799 1.00 13.12 H new ATOM 689 N ALA A 44 -9.432 3.128 5.335 1.00 21.12 N ATOM 690 CA ALA A 44 -10.126 3.656 6.503 1.00 41.14 C ATOM 691 C ALA A 44 -10.039 5.177 6.552 1.00 11.02 C ATOM 692 O ALA A 44 -10.870 5.836 7.175 1.00 72.41 O ATOM 693 CB ALA A 44 -9.554 3.050 7.776 1.00 74.21 C ATOM 0 H ALA A 44 -8.676 2.479 5.552 1.00 21.12 H new ATOM 0 HA ALA A 44 -11.178 3.381 6.425 1.00 41.14 H new ATOM 0 HB1 ALA A 44 -10.082 3.453 8.640 1.00 74.21 H new ATOM 0 HB2 ALA A 44 -9.675 1.967 7.750 1.00 74.21 H new ATOM 0 HB3 ALA A 44 -8.494 3.295 7.851 1.00 74.21 H new ATOM 699 N MET A 45 -9.026 5.729 5.893 1.00 52.15 N ATOM 700 CA MET A 45 -8.831 7.174 5.862 1.00 11.22 C ATOM 701 C MET A 45 -9.351 7.765 4.555 1.00 34.40 C ATOM 702 O MET A 45 -9.706 8.942 4.493 1.00 24.34 O ATOM 703 CB MET A 45 -7.349 7.514 6.034 1.00 62.21 C ATOM 704 CG MET A 45 -6.806 7.183 7.415 1.00 33.11 C ATOM 705 SD MET A 45 -7.442 8.287 8.693 1.00 45.43 S ATOM 706 CE MET A 45 -6.024 9.348 8.959 1.00 41.14 C ATOM 0 H MET A 45 -8.327 5.198 5.373 1.00 52.15 H new ATOM 0 HA MET A 45 -9.395 7.609 6.687 1.00 11.22 H new ATOM 0 HB2 MET A 45 -6.771 6.972 5.286 1.00 62.21 H new ATOM 0 HB3 MET A 45 -7.204 8.577 5.840 1.00 62.21 H new ATOM 0 HG2 MET A 45 -7.065 6.155 7.666 1.00 33.11 H new ATOM 0 HG3 MET A 45 -5.718 7.242 7.397 1.00 33.11 H new ATOM 0 HE1 MET A 45 -6.261 10.087 9.725 1.00 41.14 H new ATOM 0 HE2 MET A 45 -5.176 8.746 9.285 1.00 41.14 H new ATOM 0 HE3 MET A 45 -5.771 9.858 8.029 1.00 41.14 H new ATOM 716 N GLY A 46 -9.395 6.941 3.514 1.00 52.42 N ATOM 717 CA GLY A 46 -9.873 7.401 2.222 1.00 25.45 C ATOM 718 C GLY A 46 -8.744 7.806 1.296 1.00 33.14 C ATOM 719 O GLY A 46 -8.929 8.638 0.408 1.00 0.24 O ATOM 0 H GLY A 46 -9.108 5.962 3.541 1.00 52.42 H new ATOM 0 HA2 GLY A 46 -10.458 6.610 1.752 1.00 25.45 H new ATOM 0 HA3 GLY A 46 -10.542 8.249 2.367 1.00 25.45 H new ATOM 723 N ARG A 47 -7.570 7.219 1.506 1.00 54.45 N ATOM 724 CA ARG A 47 -6.406 7.527 0.684 1.00 1.34 C ATOM 725 C ARG A 47 -6.431 6.729 -0.617 1.00 32.21 C ATOM 726 O ARG A 47 -6.123 7.256 -1.686 1.00 14.32 O ATOM 727 CB ARG A 47 -5.118 7.226 1.454 1.00 62.10 C ATOM 728 CG ARG A 47 -5.150 7.692 2.900 1.00 52.22 C ATOM 729 CD ARG A 47 -5.326 9.200 2.996 1.00 44.44 C ATOM 730 NE ARG A 47 -4.129 9.858 3.511 1.00 41.20 N ATOM 731 CZ ARG A 47 -4.097 11.131 3.892 1.00 22.11 C ATOM 732 NH1 ARG A 47 -5.191 11.876 3.817 1.00 24.01 N ATOM 733 NH2 ARG A 47 -2.969 11.659 4.350 1.00 32.22 N ATOM 0 H ARG A 47 -7.400 6.529 2.237 1.00 54.45 H new ATOM 0 HA ARG A 47 -6.437 8.589 0.439 1.00 1.34 H new ATOM 0 HB2 ARG A 47 -4.934 6.152 1.431 1.00 62.10 H new ATOM 0 HB3 ARG A 47 -4.281 7.704 0.946 1.00 62.10 H new ATOM 0 HG2 ARG A 47 -5.966 7.195 3.425 1.00 52.22 H new ATOM 0 HG3 ARG A 47 -4.225 7.400 3.398 1.00 52.22 H new ATOM 0 HD2 ARG A 47 -5.565 9.601 2.011 1.00 44.44 H new ATOM 0 HD3 ARG A 47 -6.172 9.426 3.645 1.00 44.44 H new ATOM 0 HE ARG A 47 -3.271 9.311 3.582 1.00 41.20 H new ATOM 0 HH11 ARG A 47 -6.060 11.473 3.466 1.00 24.01 H new ATOM 0 HH12 ARG A 47 -5.164 12.853 4.110 1.00 24.01 H new ATOM 0 HH21 ARG A 47 -2.126 11.088 4.410 1.00 32.22 H new ATOM 0 HH22 ARG A 47 -2.945 12.636 4.642 1.00 32.22 H new ATOM 747 N ILE A 48 -6.801 5.457 -0.517 1.00 24.15 N ATOM 748 CA ILE A 48 -6.868 4.588 -1.685 1.00 72.03 C ATOM 749 C ILE A 48 -8.281 4.544 -2.258 1.00 11.21 C ATOM 750 O ILE A 48 -8.739 3.505 -2.731 1.00 51.42 O ATOM 751 CB ILE A 48 -6.419 3.154 -1.346 1.00 23.23 C ATOM 752 CG1 ILE A 48 -7.306 2.565 -0.246 1.00 52.02 C ATOM 753 CG2 ILE A 48 -4.959 3.143 -0.920 1.00 13.25 C ATOM 754 CD1 ILE A 48 -6.978 1.127 0.089 1.00 12.40 C ATOM 0 H ILE A 48 -7.059 5.005 0.360 1.00 24.15 H new ATOM 0 HA ILE A 48 -6.190 5.007 -2.429 1.00 72.03 H new ATOM 0 HB ILE A 48 -6.521 2.536 -2.238 1.00 23.23 H new ATOM 0 HG12 ILE A 48 -7.206 3.171 0.654 1.00 52.02 H new ATOM 0 HG13 ILE A 48 -8.348 2.628 -0.558 1.00 52.02 H new ATOM 0 HG21 ILE A 48 -4.657 2.123 -0.684 1.00 13.25 H new ATOM 0 HG22 ILE A 48 -4.340 3.526 -1.731 1.00 13.25 H new ATOM 0 HG23 ILE A 48 -4.832 3.772 -0.039 1.00 13.25 H new ATOM 0 HD11 ILE A 48 -7.645 0.775 0.876 1.00 12.40 H new ATOM 0 HD12 ILE A 48 -7.106 0.508 -0.799 1.00 12.40 H new ATOM 0 HD13 ILE A 48 -5.946 1.060 0.432 1.00 12.40 H new ATOM 1035 N THR A 62 -1.615 12.812 -8.296 1.00 64.55 N ATOM 1036 CA THR A 62 -1.932 11.401 -8.118 1.00 62.15 C ATOM 1037 C THR A 62 -1.747 10.628 -9.419 1.00 30.11 C ATOM 1038 O THR A 62 -1.600 11.220 -10.488 1.00 1.55 O ATOM 1039 CB THR A 62 -3.377 11.207 -7.620 1.00 55.44 C ATOM 1040 OG1 THR A 62 -3.787 12.344 -6.854 1.00 73.43 O ATOM 1041 CG2 THR A 62 -3.495 9.949 -6.774 1.00 1.32 C ATOM 0 HA THR A 62 -1.243 11.015 -7.367 1.00 62.15 H new ATOM 0 HB THR A 62 -4.026 11.102 -8.489 1.00 55.44 H new ATOM 0 HG1 THR A 62 -3.250 13.122 -7.111 1.00 73.43 H new ATOM 0 HG21 THR A 62 -4.524 9.834 -6.434 1.00 1.32 H new ATOM 0 HG22 THR A 62 -3.211 9.082 -7.370 1.00 1.32 H new ATOM 0 HG23 THR A 62 -2.835 10.028 -5.910 1.00 1.32 H new ATOM 1049 N GLU A 63 -1.756 9.302 -9.321 1.00 4.14 N ATOM 1050 CA GLU A 63 -1.589 8.449 -10.491 1.00 51.44 C ATOM 1051 C GLU A 63 -2.571 8.837 -11.594 1.00 12.05 C ATOM 1052 O GLU A 63 -2.240 8.789 -12.778 1.00 61.22 O ATOM 1053 CB GLU A 63 -1.786 6.980 -10.112 1.00 32.42 C ATOM 1054 CG GLU A 63 -0.488 6.245 -9.823 1.00 13.21 C ATOM 1055 CD GLU A 63 -0.387 4.927 -10.563 1.00 44.30 C ATOM 1056 OE1 GLU A 63 -1.001 3.940 -10.107 1.00 2.20 O ATOM 1057 OE2 GLU A 63 0.309 4.880 -11.601 1.00 35.23 O ATOM 0 H GLU A 63 -1.877 8.796 -8.444 1.00 4.14 H new ATOM 0 HA GLU A 63 -0.575 8.587 -10.866 1.00 51.44 H new ATOM 0 HB2 GLU A 63 -2.429 6.924 -9.233 1.00 32.42 H new ATOM 0 HB3 GLU A 63 -2.309 6.472 -10.922 1.00 32.42 H new ATOM 0 HG2 GLU A 63 0.354 6.879 -10.101 1.00 13.21 H new ATOM 0 HG3 GLU A 63 -0.409 6.063 -8.751 1.00 13.21 H new ATOM 1064 N GLU A 64 -3.779 9.222 -11.193 1.00 0.21 N ATOM 1065 CA GLU A 64 -4.808 9.618 -12.146 1.00 24.41 C ATOM 1066 C GLU A 64 -4.416 10.904 -12.869 1.00 25.34 C ATOM 1067 O GLU A 64 -4.723 11.083 -14.047 1.00 12.23 O ATOM 1068 CB GLU A 64 -6.148 9.809 -11.433 1.00 31.33 C ATOM 1069 CG GLU A 64 -7.145 8.694 -11.700 1.00 1.01 C ATOM 1070 CD GLU A 64 -8.348 8.754 -10.780 1.00 23.30 C ATOM 1071 OE1 GLU A 64 -9.035 9.796 -10.769 1.00 31.52 O ATOM 1072 OE2 GLU A 64 -8.604 7.758 -10.070 1.00 3.51 O ATOM 0 H GLU A 64 -4.068 9.268 -10.216 1.00 0.21 H new ATOM 0 HA GLU A 64 -4.907 8.823 -12.885 1.00 24.41 H new ATOM 0 HB2 GLU A 64 -5.972 9.878 -10.360 1.00 31.33 H new ATOM 0 HB3 GLU A 64 -6.584 10.758 -11.746 1.00 31.33 H new ATOM 0 HG2 GLU A 64 -7.481 8.752 -12.735 1.00 1.01 H new ATOM 0 HG3 GLU A 64 -6.648 7.731 -11.580 1.00 1.01 H new ATOM 1079 N GLU A 65 -3.738 11.795 -12.152 1.00 10.11 N ATOM 1080 CA GLU A 65 -3.305 13.064 -12.724 1.00 74.10 C ATOM 1081 C GLU A 65 -2.167 12.854 -13.718 1.00 43.05 C ATOM 1082 O GLU A 65 -2.103 13.515 -14.755 1.00 12.41 O ATOM 1083 CB GLU A 65 -2.859 14.022 -11.617 1.00 54.13 C ATOM 1084 CG GLU A 65 -3.994 14.842 -11.028 1.00 23.55 C ATOM 1085 CD GLU A 65 -4.671 14.146 -9.862 1.00 11.22 C ATOM 1086 OE1 GLU A 65 -5.045 12.965 -10.011 1.00 3.42 O ATOM 1087 OE2 GLU A 65 -4.826 14.786 -8.799 1.00 45.52 O ATOM 0 H GLU A 65 -3.477 11.661 -11.175 1.00 10.11 H new ATOM 0 HA GLU A 65 -4.151 13.501 -13.254 1.00 74.10 H new ATOM 0 HB2 GLU A 65 -2.385 13.448 -10.821 1.00 54.13 H new ATOM 0 HB3 GLU A 65 -2.103 14.698 -12.016 1.00 54.13 H new ATOM 0 HG2 GLU A 65 -3.607 15.806 -10.697 1.00 23.55 H new ATOM 0 HG3 GLU A 65 -4.732 15.044 -11.804 1.00 23.55 H new ATOM 1094 N LEU A 66 -1.272 11.928 -13.396 1.00 65.25 N ATOM 1095 CA LEU A 66 -0.135 11.627 -14.260 1.00 33.33 C ATOM 1096 C LEU A 66 -0.604 11.195 -15.645 1.00 43.31 C ATOM 1097 O LEU A 66 0.079 11.428 -16.643 1.00 74.02 O ATOM 1098 CB LEU A 66 0.731 10.532 -13.636 1.00 20.30 C ATOM 1099 CG LEU A 66 1.528 10.931 -12.395 1.00 31.13 C ATOM 1100 CD1 LEU A 66 1.903 9.702 -11.581 1.00 21.41 C ATOM 1101 CD2 LEU A 66 2.774 11.711 -12.790 1.00 12.14 C ATOM 0 H LEU A 66 -1.311 11.371 -12.542 1.00 65.25 H new ATOM 0 HA LEU A 66 0.460 12.534 -14.365 1.00 33.33 H new ATOM 0 HB2 LEU A 66 0.087 9.692 -13.375 1.00 20.30 H new ATOM 0 HB3 LEU A 66 1.430 10.175 -14.392 1.00 20.30 H new ATOM 0 HG LEU A 66 0.901 11.573 -11.776 1.00 31.13 H new ATOM 0 HD11 LEU A 66 2.470 10.007 -10.702 1.00 21.41 H new ATOM 0 HD12 LEU A 66 0.997 9.183 -11.267 1.00 21.41 H new ATOM 0 HD13 LEU A 66 2.511 9.033 -12.191 1.00 21.41 H new ATOM 0 HD21 LEU A 66 3.330 11.987 -11.894 1.00 12.14 H new ATOM 0 HD22 LEU A 66 3.403 11.092 -13.431 1.00 12.14 H new ATOM 0 HD23 LEU A 66 2.483 12.613 -13.329 1.00 12.14 H new ATOM 1113 N ALA A 67 -1.772 10.565 -15.699 1.00 45.13 N ATOM 1114 CA ALA A 67 -2.334 10.104 -16.962 1.00 42.43 C ATOM 1115 C ALA A 67 -2.978 11.253 -17.730 1.00 43.12 C ATOM 1116 O ALA A 67 -3.084 11.213 -18.956 1.00 40.10 O ATOM 1117 CB ALA A 67 -3.348 8.997 -16.716 1.00 72.43 C ATOM 0 H ALA A 67 -2.348 10.362 -14.882 1.00 45.13 H new ATOM 0 HA ALA A 67 -1.520 9.708 -17.569 1.00 42.43 H new ATOM 0 HB1 ALA A 67 -3.760 8.662 -17.668 1.00 72.43 H new ATOM 0 HB2 ALA A 67 -2.859 8.160 -16.218 1.00 72.43 H new ATOM 0 HB3 ALA A 67 -4.153 9.374 -16.085 1.00 72.43 H new ATOM 1123 N THR A 68 -3.408 12.278 -17.000 1.00 42.45 N ATOM 1124 CA THR A 68 -4.043 13.438 -17.613 1.00 35.25 C ATOM 1125 C THR A 68 -3.003 14.429 -18.123 1.00 64.05 C ATOM 1126 O THR A 68 -3.148 14.990 -19.209 1.00 51.12 O ATOM 1127 CB THR A 68 -4.975 14.157 -16.619 1.00 71.41 C ATOM 1128 OG1 THR A 68 -6.007 13.266 -16.183 1.00 71.44 O ATOM 1129 CG2 THR A 68 -5.598 15.391 -17.256 1.00 44.34 C ATOM 0 H THR A 68 -3.328 12.328 -15.984 1.00 42.45 H new ATOM 0 HA THR A 68 -4.632 13.069 -18.453 1.00 35.25 H new ATOM 0 HB THR A 68 -4.381 14.472 -15.761 1.00 71.41 H new ATOM 0 HG1 THR A 68 -5.640 12.636 -15.528 1.00 71.44 H new ATOM 0 HG21 THR A 68 -6.252 15.882 -16.535 1.00 44.34 H new ATOM 0 HG22 THR A 68 -4.810 16.081 -17.560 1.00 44.34 H new ATOM 0 HG23 THR A 68 -6.179 15.096 -18.130 1.00 44.34 H new ATOM 1137 N ILE A 69 -1.954 14.637 -17.335 1.00 13.32 N ATOM 1138 CA ILE A 69 -0.889 15.559 -17.709 1.00 54.53 C ATOM 1139 C ILE A 69 -0.209 15.118 -19.001 1.00 53.03 C ATOM 1140 O ILE A 69 0.155 15.945 -19.837 1.00 4.33 O ATOM 1141 CB ILE A 69 0.172 15.676 -16.599 1.00 33.52 C ATOM 1142 CG1 ILE A 69 1.293 16.623 -17.032 1.00 21.22 C ATOM 1143 CG2 ILE A 69 0.732 14.305 -16.255 1.00 20.13 C ATOM 1144 CD1 ILE A 69 2.298 16.910 -15.938 1.00 63.31 C ATOM 0 H ILE A 69 -1.819 14.179 -16.433 1.00 13.32 H new ATOM 0 HA ILE A 69 -1.354 16.533 -17.859 1.00 54.53 H new ATOM 0 HB ILE A 69 -0.301 16.088 -15.707 1.00 33.52 H new ATOM 0 HG12 ILE A 69 1.813 16.191 -17.887 1.00 21.22 H new ATOM 0 HG13 ILE A 69 0.854 17.563 -17.367 1.00 21.22 H new ATOM 0 HG21 ILE A 69 1.481 14.405 -15.469 1.00 20.13 H new ATOM 0 HG22 ILE A 69 -0.075 13.659 -15.908 1.00 20.13 H new ATOM 0 HG23 ILE A 69 1.192 13.867 -17.141 1.00 20.13 H new ATOM 0 HD11 ILE A 69 3.063 17.588 -16.316 1.00 63.31 H new ATOM 0 HD12 ILE A 69 1.791 17.371 -15.090 1.00 63.31 H new ATOM 0 HD13 ILE A 69 2.764 15.978 -15.619 1.00 63.31 H new ATOM 1156 N ARG A 70 -0.042 13.809 -19.159 1.00 22.44 N ATOM 1157 CA ARG A 70 0.593 13.256 -20.348 1.00 33.21 C ATOM 1158 C ARG A 70 -0.133 13.707 -21.612 1.00 14.14 C ATOM 1159 O ARG A 70 0.447 13.731 -22.697 1.00 71.33 O ATOM 1160 CB ARG A 70 0.615 11.728 -20.278 1.00 53.32 C ATOM 1161 CG ARG A 70 -0.717 11.084 -20.624 1.00 71.45 C ATOM 1162 CD ARG A 70 -0.731 10.567 -22.055 1.00 72.40 C ATOM 1163 NE ARG A 70 -1.007 9.134 -22.116 1.00 51.24 N ATOM 1164 CZ ARG A 70 -0.085 8.199 -21.915 1.00 22.32 C ATOM 1165 NH1 ARG A 70 1.164 8.544 -21.639 1.00 40.53 N ATOM 1166 NH2 ARG A 70 -0.414 6.915 -21.988 1.00 10.10 N ATOM 0 H ARG A 70 -0.338 13.111 -18.477 1.00 22.44 H new ATOM 0 HA ARG A 70 1.618 13.626 -20.386 1.00 33.21 H new ATOM 0 HB2 ARG A 70 1.379 11.352 -20.959 1.00 53.32 H new ATOM 0 HB3 ARG A 70 0.906 11.423 -19.273 1.00 53.32 H new ATOM 0 HG2 ARG A 70 -0.914 10.261 -19.937 1.00 71.45 H new ATOM 0 HG3 ARG A 70 -1.519 11.810 -20.490 1.00 71.45 H new ATOM 0 HD2 ARG A 70 -1.485 11.106 -22.628 1.00 72.40 H new ATOM 0 HD3 ARG A 70 0.232 10.771 -22.524 1.00 72.40 H new ATOM 0 HE ARG A 70 -1.960 8.835 -22.324 1.00 51.24 H new ATOM 0 HH11 ARG A 70 1.420 9.530 -21.580 1.00 40.53 H new ATOM 0 HH12 ARG A 70 1.870 7.824 -21.485 1.00 40.53 H new ATOM 0 HH21 ARG A 70 -1.375 6.646 -22.199 1.00 10.10 H new ATOM 0 HH22 ARG A 70 0.294 6.197 -21.834 1.00 10.10 H new ATOM 1180 N GLU A 71 -1.405 14.065 -21.462 1.00 70.22 N ATOM 1181 CA GLU A 71 -2.209 14.515 -22.591 1.00 62.45 C ATOM 1182 C GLU A 71 -1.514 15.649 -23.338 1.00 72.02 C ATOM 1183 O GLU A 71 -1.665 15.793 -24.552 1.00 12.14 O ATOM 1184 CB GLU A 71 -3.589 14.973 -22.113 1.00 33.14 C ATOM 1185 CG GLU A 71 -4.531 15.352 -23.244 1.00 21.24 C ATOM 1186 CD GLU A 71 -5.234 14.150 -23.844 1.00 40.42 C ATOM 1187 OE1 GLU A 71 -4.633 13.056 -23.856 1.00 43.41 O ATOM 1188 OE2 GLU A 71 -6.384 14.304 -24.303 1.00 74.43 O ATOM 0 H GLU A 71 -1.900 14.052 -20.570 1.00 70.22 H new ATOM 0 HA GLU A 71 -2.330 13.675 -23.275 1.00 62.45 H new ATOM 0 HB2 GLU A 71 -4.043 14.176 -21.525 1.00 33.14 H new ATOM 0 HB3 GLU A 71 -3.468 15.829 -21.450 1.00 33.14 H new ATOM 0 HG2 GLU A 71 -5.276 16.055 -22.872 1.00 21.24 H new ATOM 0 HG3 GLU A 71 -3.969 15.866 -24.024 1.00 21.24 H new ATOM 1195 N LEU A 72 -0.753 16.453 -22.604 1.00 25.35 N ATOM 1196 CA LEU A 72 -0.034 17.576 -23.195 1.00 23.11 C ATOM 1197 C LEU A 72 0.821 17.117 -24.372 1.00 30.44 C ATOM 1198 O LEU A 72 1.178 17.913 -25.241 1.00 70.43 O ATOM 1199 CB LEU A 72 0.847 18.254 -22.143 1.00 62.10 C ATOM 1200 CG LEU A 72 2.266 17.703 -22.001 1.00 5.40 C ATOM 1201 CD1 LEU A 72 2.237 16.193 -21.821 1.00 2.24 C ATOM 1202 CD2 LEU A 72 3.108 18.081 -23.210 1.00 2.54 C ATOM 0 H LEU A 72 -0.618 16.348 -21.598 1.00 25.35 H new ATOM 0 HA LEU A 72 -0.769 18.293 -23.562 1.00 23.11 H new ATOM 0 HB2 LEU A 72 0.913 19.315 -22.382 1.00 62.10 H new ATOM 0 HB3 LEU A 72 0.350 18.176 -21.176 1.00 62.10 H new ATOM 0 HG LEU A 72 2.720 18.145 -21.114 1.00 5.40 H new ATOM 0 HD11 LEU A 72 3.256 15.819 -21.722 1.00 2.24 H new ATOM 0 HD12 LEU A 72 1.670 15.944 -20.924 1.00 2.24 H new ATOM 0 HD13 LEU A 72 1.764 15.732 -22.688 1.00 2.24 H new ATOM 0 HD21 LEU A 72 4.115 17.681 -23.092 1.00 2.54 H new ATOM 0 HD22 LEU A 72 2.656 17.667 -24.112 1.00 2.54 H new ATOM 0 HD23 LEU A 72 3.157 19.167 -23.294 1.00 2.54 H new ATOM 1214 N TYR A 73 1.145 15.829 -24.393 1.00 62.23 N ATOM 1215 CA TYR A 73 1.958 15.263 -25.463 1.00 71.31 C ATOM 1216 C TYR A 73 1.121 15.025 -26.716 1.00 30.31 C ATOM 1217 O TYR A 73 1.575 15.268 -27.835 1.00 61.43 O ATOM 1218 CB TYR A 73 2.598 13.952 -25.006 1.00 44.15 C ATOM 1219 CG TYR A 73 4.094 13.898 -25.225 1.00 72.52 C ATOM 1220 CD1 TYR A 73 4.636 14.057 -26.494 1.00 73.14 C ATOM 1221 CD2 TYR A 73 4.963 13.691 -24.162 1.00 60.12 C ATOM 1222 CE1 TYR A 73 6.001 14.009 -26.698 1.00 25.01 C ATOM 1223 CE2 TYR A 73 6.330 13.642 -24.356 1.00 2.44 C ATOM 1224 CZ TYR A 73 6.844 13.801 -25.626 1.00 40.24 C ATOM 1225 OH TYR A 73 8.205 13.754 -25.825 1.00 1.13 O ATOM 0 H TYR A 73 0.857 15.157 -23.681 1.00 62.23 H new ATOM 0 HA TYR A 73 2.744 15.978 -25.705 1.00 71.31 H new ATOM 0 HB2 TYR A 73 2.389 13.806 -23.946 1.00 44.15 H new ATOM 0 HB3 TYR A 73 2.131 13.124 -25.540 1.00 44.15 H new ATOM 0 HD1 TYR A 73 3.979 14.221 -27.335 1.00 73.14 H new ATOM 0 HD2 TYR A 73 4.563 13.566 -23.166 1.00 60.12 H new ATOM 0 HE1 TYR A 73 6.406 14.134 -27.691 1.00 25.01 H new ATOM 0 HE2 TYR A 73 6.992 13.480 -23.518 1.00 2.44 H new ATOM 0 HH TYR A 73 8.656 13.602 -24.968 1.00 1.13 H new ATOM 1235 N LEU A 74 -0.104 14.550 -26.519 1.00 2.50 N ATOM 1236 CA LEU A 74 -1.007 14.278 -27.633 1.00 14.25 C ATOM 1237 C LEU A 74 -1.423 15.572 -28.323 1.00 74.52 C ATOM 1238 O LEU A 74 -1.425 15.661 -29.551 1.00 51.41 O ATOM 1239 CB LEU A 74 -2.246 13.529 -27.139 1.00 3.44 C ATOM 1240 CG LEU A 74 -2.036 12.065 -26.754 1.00 44.35 C ATOM 1241 CD1 LEU A 74 -1.353 11.308 -27.884 1.00 14.23 C ATOM 1242 CD2 LEU A 74 -1.223 11.961 -25.473 1.00 4.35 C ATOM 0 H LEU A 74 -0.495 14.345 -25.599 1.00 2.50 H new ATOM 0 HA LEU A 74 -0.478 13.656 -28.355 1.00 14.25 H new ATOM 0 HB2 LEU A 74 -2.644 14.058 -26.273 1.00 3.44 H new ATOM 0 HB3 LEU A 74 -3.007 13.573 -27.918 1.00 3.44 H new ATOM 0 HG LEU A 74 -3.012 11.613 -26.579 1.00 44.35 H new ATOM 0 HD11 LEU A 74 -1.212 10.267 -27.592 1.00 14.23 H new ATOM 0 HD12 LEU A 74 -1.974 11.352 -28.779 1.00 14.23 H new ATOM 0 HD13 LEU A 74 -0.384 11.761 -28.092 1.00 14.23 H new ATOM 0 HD21 LEU A 74 -1.084 10.911 -25.215 1.00 4.35 H new ATOM 0 HD22 LEU A 74 -0.250 12.431 -25.620 1.00 4.35 H new ATOM 0 HD23 LEU A 74 -1.751 12.467 -24.665 1.00 4.35 H new ATOM 1254 N LYS A 75 -1.774 16.577 -27.527 1.00 64.33 N ATOM 1255 CA LYS A 75 -2.190 17.868 -28.060 1.00 41.25 C ATOM 1256 C LYS A 75 -0.980 18.749 -28.355 1.00 53.42 C ATOM 1257 O LYS A 75 -1.066 19.701 -29.131 1.00 64.31 O ATOM 1258 CB LYS A 75 -3.120 18.576 -27.073 1.00 24.23 C ATOM 1259 CG LYS A 75 -4.474 17.903 -26.925 1.00 1.12 C ATOM 1260 CD LYS A 75 -5.269 17.958 -28.219 1.00 11.01 C ATOM 1261 CE LYS A 75 -5.550 19.392 -28.640 1.00 12.14 C ATOM 1262 NZ LYS A 75 -6.240 20.160 -27.567 1.00 21.14 N ATOM 0 H LYS A 75 -1.778 16.521 -26.509 1.00 64.33 H new ATOM 0 HA LYS A 75 -2.727 17.692 -28.992 1.00 41.25 H new ATOM 0 HB2 LYS A 75 -2.636 18.619 -26.097 1.00 24.23 H new ATOM 0 HB3 LYS A 75 -3.269 19.605 -27.401 1.00 24.23 H new ATOM 0 HG2 LYS A 75 -4.334 16.864 -26.627 1.00 1.12 H new ATOM 0 HG3 LYS A 75 -5.038 18.390 -26.129 1.00 1.12 H new ATOM 0 HD2 LYS A 75 -4.717 17.448 -29.008 1.00 11.01 H new ATOM 0 HD3 LYS A 75 -6.211 17.424 -28.092 1.00 11.01 H new ATOM 0 HE2 LYS A 75 -4.612 19.886 -28.895 1.00 12.14 H new ATOM 0 HE3 LYS A 75 -6.165 19.392 -29.540 1.00 12.14 H new ATOM 0 HZ1 LYS A 75 -6.594 21.057 -27.955 1.00 21.14 H new ATOM 0 HZ2 LYS A 75 -7.038 19.603 -27.200 1.00 21.14 H new ATOM 0 HZ3 LYS A 75 -5.571 20.357 -26.796 1.00 21.14 H new ATOM 1276 N GLY A 76 0.149 18.425 -27.732 1.00 44.41 N ATOM 1277 CA GLY A 76 1.361 19.196 -27.942 1.00 71.43 C ATOM 1278 C GLY A 76 1.423 20.429 -27.063 1.00 1.30 C ATOM 1279 O GLY A 76 2.228 21.329 -27.301 1.00 74.51 O ATOM 0 H GLY A 76 0.246 17.642 -27.085 1.00 44.41 H new ATOM 0 HA2 GLY A 76 2.228 18.566 -27.741 1.00 71.43 H new ATOM 0 HA3 GLY A 76 1.420 19.496 -28.988 1.00 71.43 H new ATOM 1283 N ALA A 77 0.571 20.470 -26.043 1.00 51.01 N ATOM 1284 CA ALA A 77 0.533 21.601 -25.125 1.00 73.11 C ATOM 1285 C ALA A 77 1.893 21.823 -24.472 1.00 15.11 C ATOM 1286 O ALA A 77 2.801 21.003 -24.608 1.00 11.25 O ATOM 1287 CB ALA A 77 -0.535 21.384 -24.064 1.00 33.41 C ATOM 0 H ALA A 77 -0.102 19.733 -25.832 1.00 51.01 H new ATOM 0 HA ALA A 77 0.284 22.494 -25.698 1.00 73.11 H new ATOM 0 HB1 ALA A 77 -0.552 22.237 -23.385 1.00 33.41 H new ATOM 0 HB2 ALA A 77 -1.509 21.282 -24.543 1.00 33.41 H new ATOM 0 HB3 ALA A 77 -0.311 20.477 -23.502 1.00 33.41 H new ATOM 1293 N THR A 78 2.029 22.941 -23.763 1.00 62.42 N ATOM 1294 CA THR A 78 3.278 23.272 -23.090 1.00 41.12 C ATOM 1295 C THR A 78 3.109 23.250 -21.575 1.00 14.05 C ATOM 1296 O THR A 78 2.013 23.017 -21.066 1.00 22.31 O ATOM 1297 CB THR A 78 3.796 24.658 -23.517 1.00 44.24 C ATOM 1298 OG1 THR A 78 2.940 25.682 -22.999 1.00 22.42 O ATOM 1299 CG2 THR A 78 3.863 24.767 -25.033 1.00 44.03 C ATOM 0 H THR A 78 1.288 23.632 -23.641 1.00 62.42 H new ATOM 0 HA THR A 78 4.005 22.514 -23.383 1.00 41.12 H new ATOM 0 HB THR A 78 4.801 24.786 -23.114 1.00 44.24 H new ATOM 0 HG1 THR A 78 3.277 26.560 -23.274 1.00 22.42 H new ATOM 0 HG21 THR A 78 4.232 25.754 -25.311 1.00 44.03 H new ATOM 0 HG22 THR A 78 4.538 24.005 -25.423 1.00 44.03 H new ATOM 0 HG23 THR A 78 2.868 24.620 -25.453 1.00 44.03 H new ATOM 1307 N VAL A 79 4.202 23.495 -20.859 1.00 11.04 N ATOM 1308 CA VAL A 79 4.174 23.506 -19.401 1.00 11.21 C ATOM 1309 C VAL A 79 3.168 24.525 -18.878 1.00 50.12 C ATOM 1310 O VAL A 79 2.593 24.350 -17.803 1.00 35.22 O ATOM 1311 CB VAL A 79 5.563 23.824 -18.816 1.00 33.22 C ATOM 1312 CG1 VAL A 79 5.558 23.653 -17.304 1.00 63.42 C ATOM 1313 CG2 VAL A 79 6.625 22.945 -19.457 1.00 23.34 C ATOM 0 H VAL A 79 5.118 23.688 -21.265 1.00 11.04 H new ATOM 0 HA VAL A 79 3.874 22.508 -19.082 1.00 11.21 H new ATOM 0 HB VAL A 79 5.802 24.864 -19.039 1.00 33.22 H new ATOM 0 HG11 VAL A 79 6.548 23.882 -16.909 1.00 63.42 H new ATOM 0 HG12 VAL A 79 4.826 24.330 -16.864 1.00 63.42 H new ATOM 0 HG13 VAL A 79 5.297 22.624 -17.055 1.00 63.42 H new ATOM 0 HG21 VAL A 79 7.600 23.183 -19.032 1.00 23.34 H new ATOM 0 HG22 VAL A 79 6.393 21.897 -19.267 1.00 23.34 H new ATOM 0 HG23 VAL A 79 6.645 23.124 -20.532 1.00 23.34 H new ATOM 1323 N TYR A 80 2.960 25.590 -19.645 1.00 21.25 N ATOM 1324 CA TYR A 80 2.025 26.639 -19.258 1.00 40.00 C ATOM 1325 C TYR A 80 0.582 26.161 -19.395 1.00 3.01 C ATOM 1326 O TYR A 80 -0.311 26.646 -18.703 1.00 21.24 O ATOM 1327 CB TYR A 80 2.244 27.888 -20.114 1.00 22.33 C ATOM 1328 CG TYR A 80 1.294 29.019 -19.789 1.00 32.12 C ATOM 1329 CD1 TYR A 80 1.541 29.875 -18.723 1.00 43.52 C ATOM 1330 CD2 TYR A 80 0.150 29.232 -20.548 1.00 64.52 C ATOM 1331 CE1 TYR A 80 0.677 30.910 -18.422 1.00 64.11 C ATOM 1332 CE2 TYR A 80 -0.720 30.263 -20.255 1.00 35.13 C ATOM 1333 CZ TYR A 80 -0.452 31.100 -19.191 1.00 43.21 C ATOM 1334 OH TYR A 80 -1.316 32.129 -18.895 1.00 75.41 O ATOM 0 H TYR A 80 3.426 25.749 -20.538 1.00 21.25 H new ATOM 0 HA TYR A 80 2.209 26.886 -18.212 1.00 40.00 H new ATOM 0 HB2 TYR A 80 3.268 28.235 -19.980 1.00 22.33 H new ATOM 0 HB3 TYR A 80 2.133 27.622 -21.165 1.00 22.33 H new ATOM 0 HD1 TYR A 80 2.424 29.729 -18.119 1.00 43.52 H new ATOM 0 HD2 TYR A 80 -0.062 28.579 -21.382 1.00 64.52 H new ATOM 0 HE1 TYR A 80 0.884 31.566 -17.590 1.00 64.11 H new ATOM 0 HE2 TYR A 80 -1.605 30.414 -20.855 1.00 35.13 H new ATOM 0 HH TYR A 80 -2.060 32.125 -19.533 1.00 75.41 H new ATOM 1344 N GLU A 81 0.366 25.206 -20.294 1.00 32.10 N ATOM 1345 CA GLU A 81 -0.967 24.662 -20.522 1.00 61.41 C ATOM 1346 C GLU A 81 -1.357 23.692 -19.411 1.00 31.42 C ATOM 1347 O GLU A 81 -2.422 23.822 -18.804 1.00 13.22 O ATOM 1348 CB GLU A 81 -1.028 23.952 -21.877 1.00 2.14 C ATOM 1349 CG GLU A 81 -1.055 24.903 -23.062 1.00 34.44 C ATOM 1350 CD GLU A 81 -2.315 25.747 -23.104 1.00 4.03 C ATOM 1351 OE1 GLU A 81 -3.260 25.440 -22.347 1.00 53.22 O ATOM 1352 OE2 GLU A 81 -2.356 26.713 -23.895 1.00 5.22 O ATOM 0 H GLU A 81 1.096 24.794 -20.875 1.00 32.10 H new ATOM 0 HA GLU A 81 -1.674 25.492 -20.522 1.00 61.41 H new ATOM 0 HB2 GLU A 81 -0.166 23.292 -21.971 1.00 2.14 H new ATOM 0 HB3 GLU A 81 -1.917 23.321 -21.908 1.00 2.14 H new ATOM 0 HG2 GLU A 81 -0.185 25.558 -23.018 1.00 34.44 H new ATOM 0 HG3 GLU A 81 -0.975 24.329 -23.985 1.00 34.44 H new ATOM 1359 N ILE A 82 -0.489 22.721 -19.149 1.00 74.11 N ATOM 1360 CA ILE A 82 -0.742 21.730 -18.110 1.00 71.43 C ATOM 1361 C ILE A 82 -0.994 22.398 -16.763 1.00 41.31 C ATOM 1362 O ILE A 82 -1.747 21.885 -15.936 1.00 4.24 O ATOM 1363 CB ILE A 82 0.435 20.747 -17.971 1.00 73.22 C ATOM 1364 CG1 ILE A 82 1.739 21.510 -17.734 1.00 1.22 C ATOM 1365 CG2 ILE A 82 0.545 19.873 -19.212 1.00 60.53 C ATOM 1366 CD1 ILE A 82 2.945 20.611 -17.571 1.00 24.41 C ATOM 0 H ILE A 82 0.396 22.599 -19.642 1.00 74.11 H new ATOM 0 HA ILE A 82 -1.632 21.178 -18.411 1.00 71.43 H new ATOM 0 HB ILE A 82 0.251 20.102 -17.111 1.00 73.22 H new ATOM 0 HG12 ILE A 82 1.911 22.187 -18.571 1.00 1.22 H new ATOM 0 HG13 ILE A 82 1.632 22.127 -16.842 1.00 1.22 H new ATOM 0 HG21 ILE A 82 1.382 19.184 -19.098 1.00 60.53 H new ATOM 0 HG22 ILE A 82 -0.377 19.306 -19.341 1.00 60.53 H new ATOM 0 HG23 ILE A 82 0.710 20.502 -20.087 1.00 60.53 H new ATOM 0 HD11 ILE A 82 3.834 21.220 -17.406 1.00 24.41 H new ATOM 0 HD12 ILE A 82 2.794 19.951 -16.717 1.00 24.41 H new ATOM 0 HD13 ILE A 82 3.077 20.013 -18.472 1.00 24.41 H new ATOM 1378 N ALA A 83 -0.361 23.547 -16.551 1.00 5.43 N ATOM 1379 CA ALA A 83 -0.518 24.287 -15.305 1.00 15.30 C ATOM 1380 C ALA A 83 -1.989 24.567 -15.015 1.00 2.20 C ATOM 1381 O ALA A 83 -2.471 24.321 -13.909 1.00 55.51 O ATOM 1382 CB ALA A 83 0.267 25.589 -15.363 1.00 21.43 C ATOM 0 H ALA A 83 0.265 23.986 -17.226 1.00 5.43 H new ATOM 0 HA ALA A 83 -0.125 23.674 -14.494 1.00 15.30 H new ATOM 0 HB1 ALA A 83 0.141 26.132 -14.426 1.00 21.43 H new ATOM 0 HB2 ALA A 83 1.324 25.370 -15.516 1.00 21.43 H new ATOM 0 HB3 ALA A 83 -0.101 26.199 -16.188 1.00 21.43 H new ATOM 1388 N ARG A 84 -2.697 25.081 -16.015 1.00 20.40 N ATOM 1389 CA ARG A 84 -4.113 25.396 -15.867 1.00 11.34 C ATOM 1390 C ARG A 84 -4.952 24.122 -15.828 1.00 5.45 C ATOM 1391 O ARG A 84 -6.016 24.087 -15.210 1.00 13.13 O ATOM 1392 CB ARG A 84 -4.582 26.293 -17.014 1.00 10.54 C ATOM 1393 CG ARG A 84 -4.621 27.769 -16.655 1.00 53.45 C ATOM 1394 CD ARG A 84 -3.801 28.602 -17.630 1.00 25.41 C ATOM 1395 NE ARG A 84 -3.837 30.024 -17.299 1.00 72.15 N ATOM 1396 CZ ARG A 84 -4.914 30.787 -17.454 1.00 40.35 C ATOM 1397 NH1 ARG A 84 -6.036 30.267 -17.931 1.00 10.13 N ATOM 1398 NH2 ARG A 84 -4.868 32.074 -17.131 1.00 65.30 N ATOM 0 H ARG A 84 -2.313 25.288 -16.937 1.00 20.40 H new ATOM 0 HA ARG A 84 -4.244 25.927 -14.924 1.00 11.34 H new ATOM 0 HB2 ARG A 84 -3.919 26.153 -17.868 1.00 10.54 H new ATOM 0 HB3 ARG A 84 -5.577 25.977 -17.327 1.00 10.54 H new ATOM 0 HG2 ARG A 84 -5.654 28.118 -16.656 1.00 53.45 H new ATOM 0 HG3 ARG A 84 -4.238 27.909 -15.644 1.00 53.45 H new ATOM 0 HD2 ARG A 84 -2.768 28.254 -17.624 1.00 25.41 H new ATOM 0 HD3 ARG A 84 -4.181 28.455 -18.641 1.00 25.41 H new ATOM 0 HE ARG A 84 -2.990 30.455 -16.929 1.00 72.15 H new ATOM 0 HH11 ARG A 84 -6.074 29.279 -18.180 1.00 10.13 H new ATOM 0 HH12 ARG A 84 -6.861 30.855 -18.049 1.00 10.13 H new ATOM 0 HH21 ARG A 84 -4.006 32.477 -16.764 1.00 65.30 H new ATOM 0 HH22 ARG A 84 -5.695 32.660 -17.250 1.00 65.30 H new ATOM 1412 N GLN A 85 -4.465 23.079 -16.492 1.00 51.31 N ATOM 1413 CA GLN A 85 -5.171 21.804 -16.534 1.00 42.22 C ATOM 1414 C GLN A 85 -5.185 21.144 -15.158 1.00 54.25 C ATOM 1415 O GLN A 85 -6.248 20.823 -14.625 1.00 23.23 O ATOM 1416 CB GLN A 85 -4.518 20.869 -17.554 1.00 71.11 C ATOM 1417 CG GLN A 85 -5.278 19.568 -17.761 1.00 13.42 C ATOM 1418 CD GLN A 85 -5.223 19.082 -19.196 1.00 32.22 C ATOM 1419 OE1 GLN A 85 -6.087 19.414 -20.008 1.00 44.04 O ATOM 1420 NE2 GLN A 85 -4.206 18.292 -19.515 1.00 52.11 N ATOM 0 H GLN A 85 -3.585 23.092 -17.008 1.00 51.31 H new ATOM 0 HA GLN A 85 -6.201 21.997 -16.835 1.00 42.22 H new ATOM 0 HB2 GLN A 85 -4.435 21.388 -18.509 1.00 71.11 H new ATOM 0 HB3 GLN A 85 -3.504 20.640 -17.227 1.00 71.11 H new ATOM 0 HG2 GLN A 85 -4.864 18.802 -17.106 1.00 13.42 H new ATOM 0 HG3 GLN A 85 -6.319 19.709 -17.469 1.00 13.42 H new ATOM 0 HE21 GLN A 85 -3.513 18.043 -18.809 1.00 52.11 H new ATOM 0 HE22 GLN A 85 -4.117 17.934 -20.466 1.00 52.11 H new ATOM 1429 N LEU A 86 -4.001 20.943 -14.592 1.00 15.02 N ATOM 1430 CA LEU A 86 -3.878 20.322 -13.278 1.00 40.22 C ATOM 1431 C LEU A 86 -4.359 21.266 -12.181 1.00 42.03 C ATOM 1432 O LEU A 86 -4.652 20.839 -11.064 1.00 42.15 O ATOM 1433 CB LEU A 86 -2.425 19.918 -13.018 1.00 64.13 C ATOM 1434 CG LEU A 86 -1.996 18.559 -13.574 1.00 71.45 C ATOM 1435 CD1 LEU A 86 -2.848 17.447 -12.981 1.00 70.14 C ATOM 1436 CD2 LEU A 86 -2.089 18.552 -15.093 1.00 52.52 C ATOM 0 H LEU A 86 -3.113 21.201 -15.022 1.00 15.02 H new ATOM 0 HA LEU A 86 -4.505 19.431 -13.265 1.00 40.22 H new ATOM 0 HB2 LEU A 86 -1.775 20.683 -13.442 1.00 64.13 H new ATOM 0 HB3 LEU A 86 -2.256 19.917 -11.941 1.00 64.13 H new ATOM 0 HG LEU A 86 -0.958 18.383 -13.292 1.00 71.45 H new ATOM 0 HD11 LEU A 86 -2.529 16.488 -13.388 1.00 70.14 H new ATOM 0 HD12 LEU A 86 -2.732 17.438 -11.897 1.00 70.14 H new ATOM 0 HD13 LEU A 86 -3.895 17.617 -13.232 1.00 70.14 H new ATOM 0 HD21 LEU A 86 -1.780 17.578 -15.472 1.00 52.52 H new ATOM 0 HD22 LEU A 86 -3.117 18.750 -15.395 1.00 52.52 H new ATOM 0 HD23 LEU A 86 -1.436 19.324 -15.501 1.00 52.52 H new ATOM 1448 N GLY A 87 -4.440 22.552 -12.508 1.00 11.22 N ATOM 1449 CA GLY A 87 -4.889 23.536 -11.539 1.00 51.43 C ATOM 1450 C GLY A 87 -3.759 24.053 -10.671 1.00 44.13 C ATOM 1451 O GLY A 87 -3.994 24.590 -9.590 1.00 10.22 O ATOM 0 H GLY A 87 -4.203 22.930 -13.425 1.00 11.22 H new ATOM 0 HA2 GLY A 87 -5.352 24.372 -12.063 1.00 51.43 H new ATOM 0 HA3 GLY A 87 -5.657 23.093 -10.905 1.00 51.43 H new ATOM 1455 N ARG A 88 -2.528 23.888 -11.146 1.00 20.43 N ATOM 1456 CA ARG A 88 -1.356 24.338 -10.403 1.00 33.40 C ATOM 1457 C ARG A 88 -0.697 25.527 -11.098 1.00 3.13 C ATOM 1458 O ARG A 88 -0.795 25.700 -12.312 1.00 62.24 O ATOM 1459 CB ARG A 88 -0.349 23.196 -10.255 1.00 74.30 C ATOM 1460 CG ARG A 88 -0.961 21.912 -9.720 1.00 41.34 C ATOM 1461 CD ARG A 88 -1.266 22.016 -8.234 1.00 4.33 C ATOM 1462 NE ARG A 88 -2.693 22.193 -7.979 1.00 42.33 N ATOM 1463 CZ ARG A 88 -3.600 21.248 -8.198 1.00 24.41 C ATOM 1464 NH1 ARG A 88 -3.231 20.066 -8.673 1.00 22.12 N ATOM 1465 NH2 ARG A 88 -4.881 21.484 -7.940 1.00 41.44 N ATOM 0 H ARG A 88 -2.317 23.447 -12.041 1.00 20.43 H new ATOM 0 HA ARG A 88 -1.683 24.653 -9.412 1.00 33.40 H new ATOM 0 HB2 ARG A 88 0.106 22.995 -11.225 1.00 74.30 H new ATOM 0 HB3 ARG A 88 0.452 23.513 -9.587 1.00 74.30 H new ATOM 0 HG2 ARG A 88 -1.878 21.690 -10.266 1.00 41.34 H new ATOM 0 HG3 ARG A 88 -0.277 21.082 -9.895 1.00 41.34 H new ATOM 0 HD2 ARG A 88 -0.916 21.116 -7.728 1.00 4.33 H new ATOM 0 HD3 ARG A 88 -0.715 22.855 -7.809 1.00 4.33 H new ATOM 0 HE ARG A 88 -3.010 23.091 -7.613 1.00 42.33 H new ATOM 0 HH11 ARG A 88 -2.248 19.880 -8.871 1.00 22.12 H new ATOM 0 HH12 ARG A 88 -3.930 19.343 -8.840 1.00 22.12 H new ATOM 0 HH21 ARG A 88 -5.169 22.391 -7.573 1.00 41.44 H new ATOM 0 HH22 ARG A 88 -5.577 20.758 -8.108 1.00 41.44 H new ATOM 1479 N PRO A 89 -0.008 26.365 -10.310 1.00 20.31 N ATOM 1480 CA PRO A 89 0.681 27.551 -10.827 1.00 44.11 C ATOM 1481 C PRO A 89 1.898 27.191 -11.673 1.00 73.21 C ATOM 1482 O PRO A 89 2.042 27.662 -12.800 1.00 71.34 O ATOM 1483 CB PRO A 89 1.112 28.292 -9.558 1.00 51.25 C ATOM 1484 CG PRO A 89 1.210 27.233 -8.516 1.00 34.22 C ATOM 1485 CD PRO A 89 0.150 26.220 -8.853 1.00 13.45 C ATOM 0 HA PRO A 89 0.042 28.140 -11.485 1.00 44.11 H new ATOM 0 HB2 PRO A 89 2.067 28.797 -9.700 1.00 51.25 H new ATOM 0 HB3 PRO A 89 0.386 29.056 -9.279 1.00 51.25 H new ATOM 0 HG2 PRO A 89 2.200 26.777 -8.516 1.00 34.22 H new ATOM 0 HG3 PRO A 89 1.050 27.649 -7.521 1.00 34.22 H new ATOM 0 HD2 PRO A 89 0.458 25.210 -8.580 1.00 13.45 H new ATOM 0 HD3 PRO A 89 -0.782 26.423 -8.325 1.00 13.45 H new ATOM 1493 N GLU A 90 2.770 26.354 -11.120 1.00 72.02 N ATOM 1494 CA GLU A 90 3.975 25.932 -11.826 1.00 74.42 C ATOM 1495 C GLU A 90 4.826 25.018 -10.949 1.00 44.31 C ATOM 1496 O GLU A 90 5.333 23.995 -11.410 1.00 45.10 O ATOM 1497 CB GLU A 90 4.793 27.151 -12.258 1.00 22.42 C ATOM 1498 CG GLU A 90 6.208 26.810 -12.694 1.00 51.04 C ATOM 1499 CD GLU A 90 6.741 27.767 -13.743 1.00 73.30 C ATOM 1500 OE1 GLU A 90 6.296 27.679 -14.907 1.00 5.43 O ATOM 1501 OE2 GLU A 90 7.602 28.604 -13.400 1.00 21.24 O ATOM 0 H GLU A 90 2.665 25.955 -10.187 1.00 72.02 H new ATOM 0 HA GLU A 90 3.671 25.376 -12.713 1.00 74.42 H new ATOM 0 HB2 GLU A 90 4.279 27.651 -13.079 1.00 22.42 H new ATOM 0 HB3 GLU A 90 4.837 27.860 -11.431 1.00 22.42 H new ATOM 0 HG2 GLU A 90 6.866 26.826 -11.825 1.00 51.04 H new ATOM 0 HG3 GLU A 90 6.228 25.795 -13.090 1.00 51.04 H new ATOM 1508 N SER A 91 4.979 25.396 -9.684 1.00 3.34 N ATOM 1509 CA SER A 91 5.773 24.613 -8.743 1.00 50.25 C ATOM 1510 C SER A 91 5.359 23.145 -8.773 1.00 52.41 C ATOM 1511 O SER A 91 6.190 22.256 -8.968 1.00 35.51 O ATOM 1512 CB SER A 91 5.619 25.170 -7.327 1.00 43.21 C ATOM 1513 OG SER A 91 6.867 25.594 -6.807 1.00 10.15 O ATOM 0 H SER A 91 4.564 26.239 -9.287 1.00 3.34 H new ATOM 0 HA SER A 91 6.819 24.683 -9.041 1.00 50.25 H new ATOM 0 HB2 SER A 91 4.922 26.008 -7.336 1.00 43.21 H new ATOM 0 HB3 SER A 91 5.191 24.407 -6.677 1.00 43.21 H new ATOM 0 HG SER A 91 6.741 25.947 -5.902 1.00 10.15 H new ATOM 1519 N THR A 92 4.068 22.897 -8.579 1.00 71.13 N ATOM 1520 CA THR A 92 3.542 21.538 -8.582 1.00 60.14 C ATOM 1521 C THR A 92 3.978 20.782 -9.833 1.00 54.20 C ATOM 1522 O THR A 92 4.484 19.662 -9.748 1.00 31.21 O ATOM 1523 CB THR A 92 2.003 21.530 -8.503 1.00 42.21 C ATOM 1524 OG1 THR A 92 1.551 22.604 -7.671 1.00 13.31 O ATOM 1525 CG2 THR A 92 1.496 20.206 -7.950 1.00 41.45 C ATOM 0 H THR A 92 3.367 23.620 -8.418 1.00 71.13 H new ATOM 0 HA THR A 92 3.947 21.041 -7.700 1.00 60.14 H new ATOM 0 HB THR A 92 1.608 21.659 -9.511 1.00 42.21 H new ATOM 0 HG1 THR A 92 1.085 22.239 -6.890 1.00 13.31 H new ATOM 0 HG21 THR A 92 0.407 20.224 -7.904 1.00 41.45 H new ATOM 0 HG22 THR A 92 1.818 19.393 -8.601 1.00 41.45 H new ATOM 0 HG23 THR A 92 1.899 20.051 -6.949 1.00 41.45 H new ATOM 1533 N ILE A 93 3.781 21.401 -10.992 1.00 74.11 N ATOM 1534 CA ILE A 93 4.156 20.786 -12.259 1.00 53.14 C ATOM 1535 C ILE A 93 5.603 20.307 -12.231 1.00 21.11 C ATOM 1536 O ILE A 93 5.917 19.219 -12.712 1.00 51.22 O ATOM 1537 CB ILE A 93 3.974 21.765 -13.435 1.00 30.11 C ATOM 1538 CG1 ILE A 93 2.522 22.239 -13.511 1.00 73.25 C ATOM 1539 CG2 ILE A 93 4.392 21.106 -14.741 1.00 32.03 C ATOM 1540 CD1 ILE A 93 1.533 21.122 -13.767 1.00 30.25 C ATOM 0 H ILE A 93 3.364 22.328 -11.080 1.00 74.11 H new ATOM 0 HA ILE A 93 3.496 19.931 -12.402 1.00 53.14 H new ATOM 0 HB ILE A 93 4.611 22.634 -13.269 1.00 30.11 H new ATOM 0 HG12 ILE A 93 2.262 22.737 -12.577 1.00 73.25 H new ATOM 0 HG13 ILE A 93 2.432 22.982 -14.304 1.00 73.25 H new ATOM 0 HG21 ILE A 93 4.258 21.809 -15.563 1.00 32.03 H new ATOM 0 HG22 ILE A 93 5.440 20.813 -14.682 1.00 32.03 H new ATOM 0 HG23 ILE A 93 3.778 20.223 -14.916 1.00 32.03 H new ATOM 0 HD11 ILE A 93 0.524 21.532 -13.808 1.00 30.25 H new ATOM 0 HD12 ILE A 93 1.768 20.639 -14.715 1.00 30.25 H new ATOM 0 HD13 ILE A 93 1.594 20.390 -12.962 1.00 30.25 H new ATOM 1552 N TYR A 94 6.480 21.126 -11.661 1.00 23.13 N ATOM 1553 CA TYR A 94 7.896 20.787 -11.569 1.00 65.44 C ATOM 1554 C TYR A 94 8.101 19.533 -10.725 1.00 21.32 C ATOM 1555 O TYR A 94 8.978 18.716 -11.009 1.00 0.24 O ATOM 1556 CB TYR A 94 8.684 21.953 -10.972 1.00 24.13 C ATOM 1557 CG TYR A 94 9.437 22.765 -12.000 1.00 54.11 C ATOM 1558 CD1 TYR A 94 8.827 23.826 -12.658 1.00 33.12 C ATOM 1559 CD2 TYR A 94 10.758 22.472 -12.314 1.00 50.14 C ATOM 1560 CE1 TYR A 94 9.511 24.571 -13.599 1.00 55.42 C ATOM 1561 CE2 TYR A 94 11.450 23.212 -13.254 1.00 23.53 C ATOM 1562 CZ TYR A 94 10.823 24.261 -13.893 1.00 61.42 C ATOM 1563 OH TYR A 94 11.508 24.999 -14.830 1.00 11.24 O ATOM 0 H TYR A 94 6.236 22.030 -11.256 1.00 23.13 H new ATOM 0 HA TYR A 94 8.263 20.589 -12.576 1.00 65.44 H new ATOM 0 HB2 TYR A 94 7.997 22.608 -10.436 1.00 24.13 H new ATOM 0 HB3 TYR A 94 9.391 21.565 -10.239 1.00 24.13 H new ATOM 0 HD1 TYR A 94 7.801 24.072 -12.430 1.00 33.12 H new ATOM 0 HD2 TYR A 94 11.253 21.652 -11.815 1.00 50.14 H new ATOM 0 HE1 TYR A 94 9.021 25.392 -14.102 1.00 55.42 H new ATOM 0 HE2 TYR A 94 12.476 22.970 -13.487 1.00 23.53 H new ATOM 0 HH TYR A 94 12.420 24.651 -14.918 1.00 11.24 H new