USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= 0.775 K(o=1.5,f=-4.2!) USER MOD Set 1.2: A 90 TYR OH : rot -60:sc= 0.759 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -2.47! C(o=-1.9!,f=-13!) USER MOD Set 2.2: A 49 SER OG : rot 127:sc= -0.0576 USER MOD Set 2.3: A 86 SER OG : rot -94:sc= 0.604 USER MOD Set 2.4: A 91 HIS : no HE2:sc= 0.0317 K(o=-1.9,f=-21!) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0734 (180deg=-0.63) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0.585 (180deg=-0.0394!) USER MOD Single : A 12 CYS SG : rot -116:sc= -1.81! USER MOD Single : A 13 SER OG : rot 180:sc= -0.23 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -0.0388 (180deg=-0.399) USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 0.377 (180deg=-3.75!) USER MOD Single : A 27 GLN : amide:sc= -5.99! C(o=-6!,f=-9.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.207 (180deg=0.207) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0757 (180deg=-0.53) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0.966 (180deg=0.849) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.244 (180deg=-1.8!) USER MOD Single : A 44 SER OG : rot 80:sc= -5.63! USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.055 (180deg=-0.552) USER MOD Single : A 55 SER OG : rot 102:sc= 0.841 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.548 (180deg=-1.35) USER MOD Single : A 64 MET CE :methyl -172:sc= -8.9! (180deg=-9.54!) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.321) USER MOD Single : A 76 GLN : amide:sc=-0.00689 X(o=-0.0069,f=-0.0069) USER MOD Single : A 81 SER OG : rot -86:sc= -1.49! USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0.803 (180deg=0.542) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.847 8.740 -0.032 1.00 0.00 N ATOM 97 CA LYS A 9 -11.575 8.263 0.436 1.00 0.00 C ATOM 98 C LYS A 9 -11.192 6.980 -0.296 1.00 0.00 C ATOM 99 O LYS A 9 -12.035 6.354 -0.951 1.00 0.00 O ATOM 100 CB LYS A 9 -11.698 8.014 1.930 1.00 0.00 C ATOM 101 CG LYS A 9 -11.866 9.367 2.627 1.00 0.00 C ATOM 102 CD LYS A 9 -12.192 9.153 4.097 1.00 0.00 C ATOM 103 CE LYS A 9 -12.045 10.465 4.862 1.00 0.00 C ATOM 104 NZ LYS A 9 -12.421 11.629 4.000 1.00 0.00 N ATOM 0 HA LYS A 9 -10.794 8.998 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.552 7.370 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.812 7.501 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.952 9.953 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.662 9.937 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.209 8.774 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.527 8.400 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.677 10.446 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.016 10.578 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.560 12.471 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.662 11.812 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.303 11.414 3.492 1.00 0.00 H new ATOM 118 N ILE A 10 -9.929 6.612 -0.214 1.00 0.00 N ATOM 119 CA ILE A 10 -9.430 5.428 -0.883 1.00 0.00 C ATOM 120 C ILE A 10 -9.219 4.354 0.148 1.00 0.00 C ATOM 121 O ILE A 10 -8.523 4.576 1.137 1.00 0.00 O ATOM 122 CB ILE A 10 -8.066 5.715 -1.535 1.00 0.00 C ATOM 123 CG1 ILE A 10 -8.171 6.888 -2.496 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.591 4.474 -2.313 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.772 7.284 -2.974 1.00 0.00 C ATOM 0 H ILE A 10 -9.223 7.123 0.316 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.148 5.123 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.352 5.958 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.795 6.619 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.651 7.733 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.625 4.681 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.494 3.631 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.318 4.230 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.847 8.125 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.162 7.571 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.308 6.439 -3.483 1.00 0.00 H new ATOM 137 N LYS A 11 -9.772 3.182 -0.103 1.00 0.00 N ATOM 138 CA LYS A 11 -9.563 2.044 0.767 1.00 0.00 C ATOM 139 C LYS A 11 -8.373 1.269 0.267 1.00 0.00 C ATOM 140 O LYS A 11 -8.415 0.703 -0.827 1.00 0.00 O ATOM 141 CB LYS A 11 -10.792 1.139 0.744 1.00 0.00 C ATOM 142 CG LYS A 11 -11.972 1.874 1.366 1.00 0.00 C ATOM 143 CD LYS A 11 -13.236 1.033 1.206 1.00 0.00 C ATOM 144 CE LYS A 11 -13.235 -0.123 2.223 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.510 -0.880 2.128 1.00 0.00 N ATOM 0 H LYS A 11 -10.372 2.995 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.392 2.390 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.027 0.852 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.591 0.220 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.780 2.064 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.104 2.844 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.118 1.656 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.292 0.636 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.392 -0.787 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.109 0.269 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.634 -1.460 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.304 -0.214 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.486 -1.497 1.291 1.00 0.00 H new ATOM 159 N CYS A 12 -7.281 1.313 0.995 1.00 0.00 N ATOM 160 CA CYS A 12 -6.072 0.682 0.509 1.00 0.00 C ATOM 161 C CYS A 12 -5.283 -0.015 1.593 1.00 0.00 C ATOM 162 O CYS A 12 -5.430 0.285 2.789 1.00 0.00 O ATOM 163 CB CYS A 12 -5.200 1.699 -0.237 1.00 0.00 C ATOM 164 SG CYS A 12 -3.855 2.272 0.839 1.00 0.00 S ATOM 0 H CYS A 12 -7.202 1.767 1.905 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.385 -0.099 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.788 1.245 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.807 2.546 -0.556 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.991 3.545 1.064 1.00 0.00 H new ATOM 170 N SER A 13 -4.369 -0.854 1.148 1.00 0.00 N ATOM 171 CA SER A 13 -3.423 -1.512 2.003 1.00 0.00 C ATOM 172 C SER A 13 -2.029 -1.266 1.457 1.00 0.00 C ATOM 173 O SER A 13 -1.828 -1.286 0.233 1.00 0.00 O ATOM 174 CB SER A 13 -3.705 -3.021 2.058 1.00 0.00 C ATOM 175 OG SER A 13 -5.109 -3.252 2.253 1.00 0.00 O ATOM 0 H SER A 13 -4.268 -1.097 0.162 1.00 0.00 H new ATOM 0 HA SER A 13 -3.506 -1.114 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.375 -3.495 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.137 -3.476 2.870 1.00 0.00 H new ATOM 0 HG SER A 13 -5.280 -4.216 2.285 1.00 0.00 H new ATOM 181 N HIS A 14 -1.067 -1.041 2.338 1.00 0.00 N ATOM 182 CA HIS A 14 0.290 -0.787 1.892 1.00 0.00 C ATOM 183 C HIS A 14 1.318 -1.536 2.711 1.00 0.00 C ATOM 184 O HIS A 14 1.096 -1.855 3.887 1.00 0.00 O ATOM 185 CB HIS A 14 0.594 0.730 1.840 1.00 0.00 C ATOM 186 CG HIS A 14 1.481 1.186 2.979 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.513 2.104 2.787 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.498 0.891 4.322 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.096 2.323 3.982 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.519 1.602 4.950 1.00 0.00 N ATOM 0 H HIS A 14 -1.198 -1.029 3.349 1.00 0.00 H new ATOM 0 HA HIS A 14 0.364 -1.173 0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.076 0.968 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.343 1.286 1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.821 0.210 4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.926 2.997 4.139 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.772 1.578 5.938 1.00 0.00 H new ATOM 198 N ILE A 15 2.420 -1.850 2.061 1.00 0.00 N ATOM 199 CA ILE A 15 3.524 -2.548 2.673 1.00 0.00 C ATOM 200 C ILE A 15 4.809 -1.790 2.402 1.00 0.00 C ATOM 201 O ILE A 15 5.153 -1.550 1.240 1.00 0.00 O ATOM 202 CB ILE A 15 3.605 -3.976 2.107 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.351 -4.759 2.513 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.844 -4.702 2.644 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.275 -6.061 1.718 1.00 0.00 C ATOM 0 H ILE A 15 2.573 -1.623 1.078 1.00 0.00 H new ATOM 0 HA ILE A 15 3.374 -2.610 3.751 1.00 0.00 H new ATOM 0 HB ILE A 15 3.674 -3.914 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.376 -4.975 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.460 -4.158 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.882 -5.710 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.741 -4.156 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.791 -4.757 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.382 -6.614 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.229 -5.835 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.159 -6.665 1.923 1.00 0.00 H new ATOM 217 N LEU A 16 5.546 -1.478 3.451 1.00 0.00 N ATOM 218 CA LEU A 16 6.841 -0.846 3.290 1.00 0.00 C ATOM 219 C LEU A 16 7.925 -1.883 3.316 1.00 0.00 C ATOM 220 O LEU A 16 7.968 -2.721 4.228 1.00 0.00 O ATOM 221 CB LEU A 16 7.105 0.205 4.384 1.00 0.00 C ATOM 222 CG LEU A 16 6.465 1.540 4.002 1.00 0.00 C ATOM 223 CD1 LEU A 16 6.283 2.404 5.257 1.00 0.00 C ATOM 224 CD2 LEU A 16 7.389 2.282 3.024 1.00 0.00 C ATOM 0 H LEU A 16 5.272 -1.651 4.418 1.00 0.00 H new ATOM 0 HA LEU A 16 6.840 -0.336 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.701 -0.141 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.178 0.335 4.522 1.00 0.00 H new ATOM 0 HG LEU A 16 5.496 1.354 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.827 3.355 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.639 1.884 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.254 2.588 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.937 3.235 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.353 2.462 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.533 1.677 2.129 1.00 0.00 H new ATOM 236 N VAL A 17 8.825 -1.797 2.368 1.00 0.00 N ATOM 237 CA VAL A 17 9.957 -2.691 2.299 1.00 0.00 C ATOM 238 C VAL A 17 11.236 -1.886 2.139 1.00 0.00 C ATOM 239 O VAL A 17 11.198 -0.730 1.696 1.00 0.00 O ATOM 240 CB VAL A 17 9.778 -3.678 1.136 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.520 -4.531 1.371 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.613 -2.903 -0.182 1.00 0.00 C ATOM 0 H VAL A 17 8.794 -1.104 1.620 1.00 0.00 H new ATOM 0 HA VAL A 17 10.024 -3.265 3.223 1.00 0.00 H new ATOM 0 HB VAL A 17 10.656 -4.321 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.395 -5.231 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.626 -5.086 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.646 -3.882 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.486 -3.607 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.736 -2.258 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.499 -2.294 -0.359 1.00 0.00 H new ATOM 252 N LYS A 18 12.336 -2.448 2.584 1.00 0.00 N ATOM 253 CA LYS A 18 13.607 -1.750 2.560 1.00 0.00 C ATOM 254 C LYS A 18 14.054 -1.480 1.137 1.00 0.00 C ATOM 255 O LYS A 18 14.665 -0.447 0.854 1.00 0.00 O ATOM 256 CB LYS A 18 14.667 -2.566 3.287 1.00 0.00 C ATOM 257 CG LYS A 18 14.281 -2.689 4.763 1.00 0.00 C ATOM 258 CD LYS A 18 15.344 -3.495 5.501 1.00 0.00 C ATOM 259 CE LYS A 18 14.900 -3.755 6.940 1.00 0.00 C ATOM 260 NZ LYS A 18 14.672 -2.467 7.642 1.00 0.00 N ATOM 0 H LYS A 18 12.379 -3.391 2.969 1.00 0.00 H new ATOM 0 HA LYS A 18 13.476 -0.794 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.754 -3.555 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.641 -2.086 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.186 -1.699 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.310 -3.176 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.515 -4.442 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.290 -2.954 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.986 -4.348 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.659 -4.335 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.604 -2.637 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.465 -1.822 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.787 -2.039 7.303 1.00 0.00 H new ATOM 274 N LYS A 19 13.866 -2.462 0.272 1.00 0.00 N ATOM 275 CA LYS A 19 14.374 -2.374 -1.088 1.00 0.00 C ATOM 276 C LYS A 19 13.293 -2.569 -2.141 1.00 0.00 C ATOM 277 O LYS A 19 12.322 -3.306 -1.943 1.00 0.00 O ATOM 278 CB LYS A 19 15.536 -3.352 -1.294 1.00 0.00 C ATOM 279 CG LYS A 19 16.732 -2.877 -0.450 1.00 0.00 C ATOM 280 CD LYS A 19 17.945 -3.797 -0.657 1.00 0.00 C ATOM 281 CE LYS A 19 17.931 -4.929 0.376 1.00 0.00 C ATOM 282 NZ LYS A 19 16.988 -5.984 -0.058 1.00 0.00 N ATOM 0 H LYS A 19 13.368 -3.326 0.485 1.00 0.00 H new ATOM 0 HA LYS A 19 14.745 -1.358 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.240 -4.359 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.811 -3.397 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.994 -1.855 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.456 -2.863 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.928 -4.213 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.867 -3.222 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.932 -5.345 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.636 -4.542 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.174 -6.009 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.658 -5.779 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.469 -6.906 -0.046 1.00 0.00 H new ATOM 296 N GLN A 20 13.487 -1.921 -3.276 1.00 0.00 N ATOM 297 CA GLN A 20 12.560 -2.006 -4.384 1.00 0.00 C ATOM 298 C GLN A 20 12.492 -3.437 -4.899 1.00 0.00 C ATOM 299 O GLN A 20 11.408 -3.949 -5.196 1.00 0.00 O ATOM 300 CB GLN A 20 12.970 -1.015 -5.488 1.00 0.00 C ATOM 301 CG GLN A 20 11.955 -1.028 -6.636 1.00 0.00 C ATOM 302 CD GLN A 20 12.234 0.129 -7.594 1.00 0.00 C ATOM 303 OE1 GLN A 20 12.842 1.132 -7.200 1.00 0.00 O ATOM 304 NE2 GLN A 20 11.835 0.059 -8.826 1.00 0.00 N ATOM 0 H GLN A 20 14.293 -1.321 -3.453 1.00 0.00 H new ATOM 0 HA GLN A 20 11.560 -1.731 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.042 -0.010 -5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.958 -1.275 -5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.011 -1.976 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.943 -0.946 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.334 -0.767 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.023 0.830 -9.467 1.00 0.00 H new ATOM 313 N GLY A 21 13.629 -4.114 -4.905 1.00 0.00 N ATOM 314 CA GLY A 21 13.667 -5.519 -5.291 1.00 0.00 C ATOM 315 C GLY A 21 12.768 -6.335 -4.381 1.00 0.00 C ATOM 316 O GLY A 21 12.006 -7.199 -4.846 1.00 0.00 O ATOM 0 H GLY A 21 14.534 -3.718 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.345 -5.628 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.690 -5.892 -5.234 1.00 0.00 H new ATOM 320 N GLU A 22 12.771 -5.985 -3.101 1.00 0.00 N ATOM 321 CA GLU A 22 11.893 -6.631 -2.142 1.00 0.00 C ATOM 322 C GLU A 22 10.452 -6.335 -2.519 1.00 0.00 C ATOM 323 O GLU A 22 9.596 -7.228 -2.522 1.00 0.00 O ATOM 324 CB GLU A 22 12.180 -6.095 -0.738 1.00 0.00 C ATOM 325 CG GLU A 22 13.583 -6.536 -0.283 1.00 0.00 C ATOM 326 CD GLU A 22 13.951 -5.898 1.052 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.113 -5.258 1.645 1.00 0.00 O ATOM 328 OE2 GLU A 22 15.083 -6.058 1.457 1.00 0.00 O ATOM 0 H GLU A 22 13.370 -5.260 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 22 12.063 -7.708 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.113 -5.007 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.429 -6.463 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.615 -7.622 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.318 -6.257 -1.038 1.00 0.00 H new ATOM 335 N ALA A 23 10.202 -5.088 -2.908 1.00 0.00 N ATOM 336 CA ALA A 23 8.876 -4.684 -3.354 1.00 0.00 C ATOM 337 C ALA A 23 8.438 -5.536 -4.538 1.00 0.00 C ATOM 338 O ALA A 23 7.339 -6.093 -4.540 1.00 0.00 O ATOM 339 CB ALA A 23 8.860 -3.201 -3.743 1.00 0.00 C ATOM 0 H ALA A 23 10.899 -4.343 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 23 8.179 -4.832 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.859 -2.922 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.140 -2.596 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.570 -3.029 -4.552 1.00 0.00 H new ATOM 345 N LEU A 24 9.326 -5.692 -5.507 1.00 0.00 N ATOM 346 CA LEU A 24 9.032 -6.525 -6.666 1.00 0.00 C ATOM 347 C LEU A 24 8.793 -7.962 -6.242 1.00 0.00 C ATOM 348 O LEU A 24 7.896 -8.630 -6.759 1.00 0.00 O ATOM 349 CB LEU A 24 10.174 -6.469 -7.706 1.00 0.00 C ATOM 350 CG LEU A 24 10.014 -5.265 -8.660 1.00 0.00 C ATOM 351 CD1 LEU A 24 8.851 -5.504 -9.626 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.775 -3.973 -7.881 1.00 0.00 C ATOM 0 H LEU A 24 10.249 -5.258 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 24 8.127 -6.133 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.133 -6.402 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.186 -7.393 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 24 10.940 -5.163 -9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.750 -4.647 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.045 -6.401 -10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.929 -5.634 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.666 -3.142 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.866 -4.069 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.622 -3.784 -7.221 1.00 0.00 H new ATOM 364 N ALA A 25 9.608 -8.451 -5.324 1.00 0.00 N ATOM 365 CA ALA A 25 9.470 -9.830 -4.867 1.00 0.00 C ATOM 366 C ALA A 25 8.096 -10.061 -4.259 1.00 0.00 C ATOM 367 O ALA A 25 7.374 -10.990 -4.651 1.00 0.00 O ATOM 368 CB ALA A 25 10.561 -10.176 -3.847 1.00 0.00 C ATOM 0 H ALA A 25 10.363 -7.926 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 25 9.582 -10.483 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.439 -11.209 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.541 -10.055 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.479 -9.511 -2.987 1.00 0.00 H new ATOM 374 N VAL A 26 7.706 -9.194 -3.336 1.00 0.00 N ATOM 375 CA VAL A 26 6.402 -9.326 -2.708 1.00 0.00 C ATOM 376 C VAL A 26 5.280 -9.110 -3.722 1.00 0.00 C ATOM 377 O VAL A 26 4.287 -9.825 -3.712 1.00 0.00 O ATOM 378 CB VAL A 26 6.251 -8.395 -1.492 1.00 0.00 C ATOM 379 CG1 VAL A 26 7.411 -8.632 -0.513 1.00 0.00 C ATOM 380 CG2 VAL A 26 6.256 -6.931 -1.937 1.00 0.00 C ATOM 0 H VAL A 26 8.264 -8.405 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 26 6.323 -10.347 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 26 5.303 -8.614 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.302 -7.972 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.398 -9.669 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.357 -8.424 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.148 -6.285 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.196 -6.707 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.427 -6.756 -2.623 1.00 0.00 H new ATOM 390 N GLN A 27 5.465 -8.152 -4.624 1.00 0.00 N ATOM 391 CA GLN A 27 4.458 -7.889 -5.647 1.00 0.00 C ATOM 392 C GLN A 27 4.202 -9.139 -6.463 1.00 0.00 C ATOM 393 O GLN A 27 3.055 -9.574 -6.595 1.00 0.00 O ATOM 394 CB GLN A 27 4.923 -6.755 -6.564 1.00 0.00 C ATOM 395 CG GLN A 27 4.836 -5.417 -5.826 1.00 0.00 C ATOM 396 CD GLN A 27 5.531 -4.331 -6.633 1.00 0.00 C ATOM 397 OE1 GLN A 27 6.538 -4.589 -7.293 1.00 0.00 O ATOM 398 NE2 GLN A 27 5.050 -3.143 -6.652 1.00 0.00 N ATOM 0 H GLN A 27 6.289 -7.553 -4.669 1.00 0.00 H new ATOM 0 HA GLN A 27 3.531 -7.592 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.948 -6.935 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.305 -6.726 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.792 -5.149 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.299 -5.504 -4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.216 -2.922 -6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.501 -2.419 -7.211 1.00 0.00 H new ATOM 407 N GLU A 28 5.271 -9.796 -6.889 1.00 0.00 N ATOM 408 CA GLU A 28 5.131 -11.040 -7.631 1.00 0.00 C ATOM 409 C GLU A 28 4.479 -12.084 -6.747 1.00 0.00 C ATOM 410 O GLU A 28 3.659 -12.886 -7.203 1.00 0.00 O ATOM 411 CB GLU A 28 6.491 -11.550 -8.124 1.00 0.00 C ATOM 412 CG GLU A 28 7.056 -10.579 -9.173 1.00 0.00 C ATOM 413 CD GLU A 28 8.368 -11.095 -9.734 1.00 0.00 C ATOM 414 OE1 GLU A 28 8.686 -12.243 -9.505 1.00 0.00 O ATOM 415 OE2 GLU A 28 9.028 -10.342 -10.418 1.00 0.00 O ATOM 0 H GLU A 28 6.233 -9.493 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 28 4.506 -10.852 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.183 -11.639 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.383 -12.545 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.336 -10.450 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.209 -9.598 -8.722 1.00 0.00 H new ATOM 422 N ARG A 29 4.823 -12.051 -5.476 1.00 0.00 N ATOM 423 CA ARG A 29 4.228 -12.952 -4.515 1.00 0.00 C ATOM 424 C ARG A 29 2.719 -12.695 -4.400 1.00 0.00 C ATOM 425 O ARG A 29 1.921 -13.633 -4.379 1.00 0.00 O ATOM 426 CB ARG A 29 4.918 -12.852 -3.153 1.00 0.00 C ATOM 427 CG ARG A 29 4.306 -13.893 -2.218 1.00 0.00 C ATOM 428 CD ARG A 29 5.008 -13.863 -0.869 1.00 0.00 C ATOM 429 NE ARG A 29 4.382 -14.824 0.021 1.00 0.00 N ATOM 430 CZ ARG A 29 4.611 -14.829 1.325 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.504 -14.025 1.825 1.00 0.00 N ATOM 432 NH2 ARG A 29 3.954 -15.639 2.095 1.00 0.00 N ATOM 0 H ARG A 29 5.513 -11.409 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 29 4.371 -13.972 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.989 -13.022 -3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.793 -11.852 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.242 -13.695 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.393 -14.886 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.065 -14.099 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.952 -12.863 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 29 3.745 -15.518 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.023 -13.395 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.685 -14.024 2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.261 -16.272 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.130 -15.643 3.100 1.00 0.00 H new ATOM 446 N LEU A 30 2.327 -11.427 -4.432 1.00 0.00 N ATOM 447 CA LEU A 30 0.915 -11.076 -4.430 1.00 0.00 C ATOM 448 C LEU A 30 0.268 -11.651 -5.654 1.00 0.00 C ATOM 449 O LEU A 30 -0.820 -12.222 -5.596 1.00 0.00 O ATOM 450 CB LEU A 30 0.718 -9.550 -4.412 1.00 0.00 C ATOM 451 CG LEU A 30 0.626 -9.016 -2.975 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.607 -9.604 -2.286 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.875 -9.378 -2.175 1.00 0.00 C ATOM 0 H LEU A 30 2.963 -10.630 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 30 0.456 -11.486 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.548 -9.068 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.190 -9.292 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 30 0.545 -7.930 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.670 -9.224 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.503 -9.317 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.528 -10.691 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.784 -8.988 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.982 -10.462 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.752 -8.943 -2.653 1.00 0.00 H new ATOM 465 N LYS A 31 0.981 -11.568 -6.749 1.00 0.00 N ATOM 466 CA LYS A 31 0.503 -12.124 -7.983 1.00 0.00 C ATOM 467 C LYS A 31 0.301 -13.630 -7.825 1.00 0.00 C ATOM 468 O LYS A 31 -0.573 -14.215 -8.461 1.00 0.00 O ATOM 469 CB LYS A 31 1.466 -11.822 -9.133 1.00 0.00 C ATOM 470 CG LYS A 31 1.649 -10.300 -9.295 1.00 0.00 C ATOM 471 CD LYS A 31 0.295 -9.632 -9.505 1.00 0.00 C ATOM 472 CE LYS A 31 0.487 -8.219 -10.090 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.833 -7.654 -10.474 1.00 0.00 N ATOM 0 H LYS A 31 1.895 -11.120 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.454 -11.662 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.430 -12.292 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.082 -12.249 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.134 -9.887 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.302 -10.092 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.315 -10.233 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.241 -9.572 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.971 -7.574 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.143 -8.261 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.701 -6.701 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.278 -8.266 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.445 -7.600 -9.635 1.00 0.00 H new ATOM 487 N ALA A 32 1.083 -14.240 -6.930 1.00 0.00 N ATOM 488 CA ALA A 32 0.942 -15.657 -6.622 1.00 0.00 C ATOM 489 C ALA A 32 -0.417 -15.931 -5.991 1.00 0.00 C ATOM 490 O ALA A 32 -0.911 -17.065 -6.010 1.00 0.00 O ATOM 491 CB ALA A 32 2.065 -16.129 -5.695 1.00 0.00 C ATOM 0 H ALA A 32 1.821 -13.769 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 32 1.013 -16.216 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.937 -17.190 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.028 -15.970 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.030 -15.563 -4.764 1.00 0.00 H new ATOM 497 N GLY A 33 -1.026 -14.889 -5.436 1.00 0.00 N ATOM 498 CA GLY A 33 -2.345 -15.009 -4.827 1.00 0.00 C ATOM 499 C GLY A 33 -2.280 -14.977 -3.307 1.00 0.00 C ATOM 500 O GLY A 33 -3.317 -14.932 -2.638 1.00 0.00 O ATOM 0 H GLY A 33 -0.627 -13.951 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.981 -14.197 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.809 -15.941 -5.150 1.00 0.00 H new ATOM 504 N GLU A 34 -1.073 -14.938 -2.754 1.00 0.00 N ATOM 505 CA GLU A 34 -0.924 -14.861 -1.305 1.00 0.00 C ATOM 506 C GLU A 34 -1.534 -13.559 -0.779 1.00 0.00 C ATOM 507 O GLU A 34 -1.644 -12.570 -1.517 1.00 0.00 O ATOM 508 CB GLU A 34 0.552 -14.984 -0.879 1.00 0.00 C ATOM 509 CG GLU A 34 1.069 -16.391 -1.228 1.00 0.00 C ATOM 510 CD GLU A 34 2.226 -16.765 -0.313 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.032 -16.828 0.887 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.304 -16.967 -0.814 1.00 0.00 O ATOM 0 H GLU A 34 -0.197 -14.958 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.460 -15.703 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.152 -14.228 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.649 -14.804 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.264 -17.119 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.394 -16.420 -2.268 1.00 0.00 H new ATOM 519 N LYS A 35 -2.033 -13.597 0.446 1.00 0.00 N ATOM 520 CA LYS A 35 -2.744 -12.460 1.013 1.00 0.00 C ATOM 521 C LYS A 35 -1.821 -11.255 1.152 1.00 0.00 C ATOM 522 O LYS A 35 -0.716 -11.354 1.697 1.00 0.00 O ATOM 523 CB LYS A 35 -3.340 -12.824 2.385 1.00 0.00 C ATOM 524 CG LYS A 35 -4.587 -11.967 2.671 1.00 0.00 C ATOM 525 CD LYS A 35 -5.242 -12.446 3.973 1.00 0.00 C ATOM 526 CE LYS A 35 -6.539 -11.668 4.224 1.00 0.00 C ATOM 527 NZ LYS A 35 -6.246 -10.214 4.278 1.00 0.00 N ATOM 0 H LYS A 35 -1.959 -14.402 1.068 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.555 -12.200 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.605 -13.881 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.596 -12.667 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.309 -10.916 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.294 -12.045 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.454 -13.513 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.556 -12.305 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.258 -11.875 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.994 -11.992 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.035 -9.718 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.373 -10.056 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.125 -9.848 3.312 1.00 0.00 H new ATOM 541 N PHE A 36 -2.314 -10.104 0.740 1.00 0.00 N ATOM 542 CA PHE A 36 -1.561 -8.868 0.866 1.00 0.00 C ATOM 543 C PHE A 36 -1.205 -8.681 2.328 1.00 0.00 C ATOM 544 O PHE A 36 -0.054 -8.415 2.681 1.00 0.00 O ATOM 545 CB PHE A 36 -2.423 -7.691 0.391 1.00 0.00 C ATOM 546 CG PHE A 36 -1.604 -6.419 0.385 1.00 0.00 C ATOM 547 CD1 PHE A 36 -0.827 -6.097 -0.739 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.622 -5.561 1.495 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.073 -4.921 -0.753 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.865 -4.383 1.476 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.091 -4.065 0.352 1.00 0.00 C ATOM 0 H PHE A 36 -3.235 -9.997 0.314 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.657 -8.910 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.807 -7.891 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.286 -7.574 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.812 -6.758 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.218 -5.808 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.524 -4.673 -1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.878 -3.719 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.493 -3.157 0.339 1.00 0.00 H new ATOM 561 N GLY A 37 -2.185 -8.902 3.173 1.00 0.00 N ATOM 562 CA GLY A 37 -1.999 -8.807 4.600 1.00 0.00 C ATOM 563 C GLY A 37 -0.966 -9.804 5.089 1.00 0.00 C ATOM 564 O GLY A 37 -0.174 -9.497 5.979 1.00 0.00 O ATOM 0 H GLY A 37 -3.132 -9.152 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.684 -7.797 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.948 -8.986 5.105 1.00 0.00 H new ATOM 568 N LYS A 38 -0.928 -10.968 4.464 1.00 0.00 N ATOM 569 CA LYS A 38 0.044 -11.985 4.823 1.00 0.00 C ATOM 570 C LYS A 38 1.436 -11.420 4.621 1.00 0.00 C ATOM 571 O LYS A 38 2.253 -11.419 5.537 1.00 0.00 O ATOM 572 CB LYS A 38 -0.167 -13.226 3.940 1.00 0.00 C ATOM 573 CG LYS A 38 0.749 -14.381 4.356 1.00 0.00 C ATOM 574 CD LYS A 38 0.474 -15.561 3.420 1.00 0.00 C ATOM 575 CE LYS A 38 1.334 -16.766 3.807 1.00 0.00 C ATOM 576 NZ LYS A 38 1.035 -17.886 2.881 1.00 0.00 N ATOM 0 H LYS A 38 -1.558 -11.232 3.707 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.078 -12.276 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.207 -13.545 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.023 -12.968 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.795 -14.080 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.560 -14.664 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.581 -15.831 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.685 -15.272 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.391 -16.507 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.128 -17.062 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.577 -18.727 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.018 -18.102 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.300 -17.616 1.912 1.00 0.00 H new ATOM 590 N LEU A 39 1.640 -10.783 3.470 1.00 0.00 N ATOM 591 CA LEU A 39 2.887 -10.077 3.205 1.00 0.00 C ATOM 592 C LEU A 39 3.076 -8.947 4.188 1.00 0.00 C ATOM 593 O LEU A 39 4.194 -8.718 4.680 1.00 0.00 O ATOM 594 CB LEU A 39 2.921 -9.511 1.775 1.00 0.00 C ATOM 595 CG LEU A 39 3.401 -10.582 0.778 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.897 -10.836 0.979 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.619 -11.891 0.967 1.00 0.00 C ATOM 0 H LEU A 39 0.960 -10.742 2.711 1.00 0.00 H new ATOM 0 HA LEU A 39 3.696 -10.799 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.927 -9.163 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.584 -8.647 1.736 1.00 0.00 H new ATOM 0 HG LEU A 39 3.225 -10.220 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.235 -11.594 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.449 -9.911 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.073 -11.184 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.974 -12.634 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.770 -12.262 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.557 -11.708 0.802 1.00 0.00 H new ATOM 609 N ALA A 40 1.994 -8.232 4.475 1.00 0.00 N ATOM 610 CA ALA A 40 2.077 -7.105 5.374 1.00 0.00 C ATOM 611 C ALA A 40 2.603 -7.566 6.718 1.00 0.00 C ATOM 612 O ALA A 40 3.561 -6.999 7.261 1.00 0.00 O ATOM 613 CB ALA A 40 0.716 -6.428 5.538 1.00 0.00 C ATOM 0 H ALA A 40 1.063 -8.415 4.100 1.00 0.00 H new ATOM 0 HA ALA A 40 2.763 -6.372 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.810 -5.583 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.366 -6.074 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.000 -7.143 5.943 1.00 0.00 H new ATOM 619 N LYS A 41 2.026 -8.645 7.204 1.00 0.00 N ATOM 620 CA LYS A 41 2.460 -9.273 8.434 1.00 0.00 C ATOM 621 C LYS A 41 3.862 -9.845 8.291 1.00 0.00 C ATOM 622 O LYS A 41 4.630 -9.872 9.252 1.00 0.00 O ATOM 623 CB LYS A 41 1.499 -10.393 8.817 1.00 0.00 C ATOM 624 CG LYS A 41 0.121 -9.831 9.171 1.00 0.00 C ATOM 625 CD LYS A 41 0.167 -9.117 10.531 1.00 0.00 C ATOM 626 CE LYS A 41 -1.232 -8.606 10.874 1.00 0.00 C ATOM 627 NZ LYS A 41 -2.204 -9.724 10.751 1.00 0.00 N ATOM 0 H LYS A 41 1.239 -9.113 6.755 1.00 0.00 H new ATOM 0 HA LYS A 41 2.469 -8.511 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.408 -11.098 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.899 -10.947 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.204 -9.134 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.611 -10.638 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.517 -9.801 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.873 -8.287 10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.247 -8.205 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.509 -7.792 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.064 -9.497 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.449 -9.863 9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.780 -10.596 11.127 1.00 0.00 H new ATOM 641 N GLU A 42 4.134 -10.449 7.144 1.00 0.00 N ATOM 642 CA GLU A 42 5.380 -11.172 6.968 1.00 0.00 C ATOM 643 C GLU A 42 6.604 -10.264 6.883 1.00 0.00 C ATOM 644 O GLU A 42 7.640 -10.578 7.482 1.00 0.00 O ATOM 645 CB GLU A 42 5.342 -12.045 5.703 1.00 0.00 C ATOM 646 CG GLU A 42 4.553 -13.346 5.922 1.00 0.00 C ATOM 647 CD GLU A 42 4.856 -14.322 4.792 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.898 -14.184 4.179 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.068 -15.204 4.563 1.00 0.00 O ATOM 0 H GLU A 42 3.517 -10.453 6.332 1.00 0.00 H new ATOM 0 HA GLU A 42 5.476 -11.791 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.891 -11.481 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.361 -12.286 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.821 -13.789 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.484 -13.134 5.957 1.00 0.00 H new ATOM 656 N LEU A 43 6.575 -9.296 5.971 1.00 0.00 N ATOM 657 CA LEU A 43 7.811 -8.585 5.634 1.00 0.00 C ATOM 658 C LEU A 43 7.830 -7.077 5.919 1.00 0.00 C ATOM 659 O LEU A 43 8.904 -6.513 6.148 1.00 0.00 O ATOM 660 CB LEU A 43 8.292 -8.979 4.204 1.00 0.00 C ATOM 661 CG LEU A 43 8.226 -7.829 3.180 1.00 0.00 C ATOM 662 CD1 LEU A 43 6.847 -7.163 3.172 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.324 -6.800 3.462 1.00 0.00 C ATOM 0 H LEU A 43 5.743 -8.991 5.466 1.00 0.00 H new ATOM 0 HA LEU A 43 8.556 -8.934 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.319 -9.340 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.684 -9.808 3.843 1.00 0.00 H new ATOM 0 HG LEU A 43 8.391 -8.253 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.837 -6.357 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.088 -7.901 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.633 -6.757 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.264 -5.994 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.191 -6.391 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.300 -7.281 3.393 1.00 0.00 H new ATOM 675 N SER A 44 6.682 -6.420 5.869 1.00 0.00 N ATOM 676 CA SER A 44 6.642 -4.962 6.009 1.00 0.00 C ATOM 677 C SER A 44 7.569 -4.461 7.107 1.00 0.00 C ATOM 678 O SER A 44 7.557 -4.976 8.228 1.00 0.00 O ATOM 679 CB SER A 44 5.230 -4.510 6.333 1.00 0.00 C ATOM 680 OG SER A 44 4.325 -5.325 5.632 1.00 0.00 O ATOM 0 H SER A 44 5.772 -6.861 5.734 1.00 0.00 H new ATOM 0 HA SER A 44 6.975 -4.545 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.048 -4.578 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.094 -3.466 6.053 1.00 0.00 H new ATOM 0 HG SER A 44 4.214 -6.175 6.107 1.00 0.00 H new ATOM 686 N ILE A 45 8.265 -3.372 6.821 1.00 0.00 N ATOM 687 CA ILE A 45 9.052 -2.697 7.838 1.00 0.00 C ATOM 688 C ILE A 45 8.126 -1.775 8.624 1.00 0.00 C ATOM 689 O ILE A 45 8.475 -1.269 9.694 1.00 0.00 O ATOM 690 CB ILE A 45 10.207 -1.903 7.199 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.665 -0.803 6.285 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.079 -2.844 6.361 1.00 0.00 C ATOM 693 CD1 ILE A 45 10.835 0.045 5.768 1.00 0.00 C ATOM 0 H ILE A 45 8.301 -2.939 5.898 1.00 0.00 H new ATOM 0 HA ILE A 45 9.499 -3.430 8.509 1.00 0.00 H new ATOM 0 HB ILE A 45 10.794 -1.453 7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.122 -1.243 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.959 -0.176 6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.895 -2.279 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.489 -3.626 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.474 -3.297 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.454 0.831 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.359 0.495 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.524 -0.588 5.209 1.00 0.00 H new ATOM 705 N ASP A 46 6.930 -1.579 8.076 1.00 0.00 N ATOM 706 CA ASP A 46 5.903 -0.761 8.700 1.00 0.00 C ATOM 707 C ASP A 46 5.062 -1.616 9.629 1.00 0.00 C ATOM 708 O ASP A 46 4.139 -2.309 9.189 1.00 0.00 O ATOM 709 CB ASP A 46 5.007 -0.147 7.615 1.00 0.00 C ATOM 710 CG ASP A 46 3.981 0.807 8.207 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.811 0.837 9.410 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.365 1.498 7.440 1.00 0.00 O ATOM 0 H ASP A 46 6.648 -1.986 7.184 1.00 0.00 H new ATOM 0 HA ASP A 46 6.376 0.036 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.624 0.386 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.495 -0.942 7.073 1.00 0.00 H new ATOM 717 N GLY A 47 5.387 -1.575 10.899 1.00 0.00 N ATOM 718 CA GLY A 47 4.665 -2.354 11.881 1.00 0.00 C ATOM 719 C GLY A 47 3.240 -1.849 12.041 1.00 0.00 C ATOM 720 O GLY A 47 2.296 -2.635 12.075 1.00 0.00 O ATOM 0 H GLY A 47 6.147 -1.011 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.651 -3.401 11.580 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.181 -2.305 12.840 1.00 0.00 H new ATOM 724 N GLY A 48 3.089 -0.536 12.148 1.00 0.00 N ATOM 725 CA GLY A 48 1.780 0.061 12.394 1.00 0.00 C ATOM 726 C GLY A 48 0.778 -0.388 11.356 1.00 0.00 C ATOM 727 O GLY A 48 -0.321 -0.840 11.697 1.00 0.00 O ATOM 0 H GLY A 48 3.853 0.136 12.069 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.430 -0.218 13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.863 1.148 12.379 1.00 0.00 H new ATOM 731 N SER A 49 1.179 -0.359 10.107 1.00 0.00 N ATOM 732 CA SER A 49 0.326 -0.866 9.052 1.00 0.00 C ATOM 733 C SER A 49 0.206 -2.382 9.143 1.00 0.00 C ATOM 734 O SER A 49 -0.851 -2.950 8.848 1.00 0.00 O ATOM 735 CB SER A 49 0.840 -0.435 7.680 1.00 0.00 C ATOM 736 OG SER A 49 1.034 0.976 7.684 1.00 0.00 O ATOM 0 H SER A 49 2.080 0.005 9.796 1.00 0.00 H new ATOM 0 HA SER A 49 -0.669 -0.440 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.776 -0.944 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.127 -0.716 6.905 1.00 0.00 H new ATOM 0 HG SER A 49 1.943 1.182 7.381 1.00 0.00 H new ATOM 742 N ALA A 50 1.272 -3.033 9.597 1.00 0.00 N ATOM 743 CA ALA A 50 1.272 -4.482 9.723 1.00 0.00 C ATOM 744 C ALA A 50 0.230 -4.923 10.717 1.00 0.00 C ATOM 745 O ALA A 50 -0.325 -6.015 10.604 1.00 0.00 O ATOM 746 CB ALA A 50 2.644 -5.001 10.140 1.00 0.00 C ATOM 0 H ALA A 50 2.141 -2.581 9.882 1.00 0.00 H new ATOM 0 HA ALA A 50 1.032 -4.901 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.612 -6.087 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.383 -4.718 9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.919 -4.569 11.102 1.00 0.00 H new ATOM 752 N LYS A 51 -0.087 -4.051 11.652 1.00 0.00 N ATOM 753 CA LYS A 51 -1.086 -4.357 12.649 1.00 0.00 C ATOM 754 C LYS A 51 -2.410 -4.578 11.967 1.00 0.00 C ATOM 755 O LYS A 51 -3.160 -5.481 12.320 1.00 0.00 O ATOM 756 CB LYS A 51 -1.202 -3.221 13.668 1.00 0.00 C ATOM 757 CG LYS A 51 0.131 -3.046 14.410 1.00 0.00 C ATOM 758 CD LYS A 51 0.463 -4.302 15.224 1.00 0.00 C ATOM 759 CE LYS A 51 1.801 -4.099 15.929 1.00 0.00 C ATOM 760 NZ LYS A 51 2.882 -3.974 14.916 1.00 0.00 N ATOM 0 H LYS A 51 0.334 -3.126 11.740 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.791 -5.260 13.183 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.471 -2.294 13.163 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.998 -3.439 14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.929 -2.848 13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.075 -2.181 15.071 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.322 -4.495 15.955 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.511 -5.173 14.570 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.765 -3.204 16.550 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.005 -4.939 16.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.796 -4.207 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.698 -4.628 14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.909 -2.999 14.556 1.00 0.00 H new ATOM 774 N ARG A 52 -2.663 -3.793 10.940 1.00 0.00 N ATOM 775 CA ARG A 52 -3.871 -3.947 10.159 1.00 0.00 C ATOM 776 C ARG A 52 -3.603 -4.761 8.906 1.00 0.00 C ATOM 777 O ARG A 52 -4.314 -4.628 7.918 1.00 0.00 O ATOM 778 CB ARG A 52 -4.485 -2.591 9.786 1.00 0.00 C ATOM 779 CG ARG A 52 -4.891 -1.829 11.053 1.00 0.00 C ATOM 780 CD ARG A 52 -5.916 -0.744 10.694 1.00 0.00 C ATOM 781 NE ARG A 52 -5.417 0.165 9.656 1.00 0.00 N ATOM 782 CZ ARG A 52 -4.723 1.263 9.957 1.00 0.00 C ATOM 783 NH1 ARG A 52 -4.264 1.427 11.165 1.00 0.00 N ATOM 784 NH2 ARG A 52 -4.486 2.159 9.034 1.00 0.00 N ATOM 0 H ARG A 52 -2.048 -3.042 10.627 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.590 -4.481 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.767 -2.003 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.356 -2.741 9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.316 -2.518 11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.013 -1.376 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.837 -1.215 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.165 -0.171 11.587 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.606 -0.049 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.436 0.717 11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.733 2.266 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.832 2.017 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.955 2.999 9.263 1.00 0.00 H new ATOM 798 N ASP A 53 -2.526 -5.533 8.916 1.00 0.00 N ATOM 799 CA ASP A 53 -2.130 -6.318 7.743 1.00 0.00 C ATOM 800 C ASP A 53 -1.862 -5.393 6.576 1.00 0.00 C ATOM 801 O ASP A 53 -2.157 -5.717 5.426 1.00 0.00 O ATOM 802 CB ASP A 53 -3.233 -7.301 7.347 1.00 0.00 C ATOM 803 CG ASP A 53 -3.431 -8.353 8.402 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.692 -9.313 8.404 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.328 -8.208 9.191 1.00 0.00 O ATOM 0 H ASP A 53 -1.907 -5.636 9.720 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.229 -6.876 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.166 -6.760 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.977 -7.776 6.400 1.00 0.00 H new ATOM 810 N GLY A 54 -1.378 -4.216 6.875 1.00 0.00 N ATOM 811 CA GLY A 54 -1.119 -3.221 5.852 1.00 0.00 C ATOM 812 C GLY A 54 -2.403 -2.535 5.429 1.00 0.00 C ATOM 813 O GLY A 54 -2.365 -1.540 4.711 1.00 0.00 O ATOM 0 H GLY A 54 -1.152 -3.916 7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.413 -2.481 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.653 -3.694 4.988 1.00 0.00 H new ATOM 817 N SER A 55 -3.543 -3.046 5.899 1.00 0.00 N ATOM 818 CA SER A 55 -4.830 -2.450 5.568 1.00 0.00 C ATOM 819 C SER A 55 -4.932 -1.041 6.158 1.00 0.00 C ATOM 820 O SER A 55 -5.375 -0.849 7.304 1.00 0.00 O ATOM 821 CB SER A 55 -5.984 -3.340 6.065 1.00 0.00 C ATOM 822 OG SER A 55 -5.604 -4.717 5.971 1.00 0.00 O ATOM 0 H SER A 55 -3.597 -3.865 6.505 1.00 0.00 H new ATOM 0 HA SER A 55 -4.908 -2.372 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.231 -3.090 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.879 -3.158 5.470 1.00 0.00 H new ATOM 0 HG SER A 55 -5.347 -5.047 6.857 1.00 0.00 H new ATOM 828 N LEU A 56 -4.486 -0.066 5.386 1.00 0.00 N ATOM 829 CA LEU A 56 -4.501 1.310 5.823 1.00 0.00 C ATOM 830 C LEU A 56 -5.926 1.762 6.049 1.00 0.00 C ATOM 831 O LEU A 56 -6.221 2.436 7.040 1.00 0.00 O ATOM 832 CB LEU A 56 -3.825 2.216 4.792 1.00 0.00 C ATOM 833 CG LEU A 56 -2.320 1.918 4.735 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.689 2.753 3.629 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.654 2.267 6.072 1.00 0.00 C ATOM 0 H LEU A 56 -4.108 -0.208 4.449 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.946 1.380 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.272 2.060 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.987 3.262 5.053 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.176 0.856 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.620 2.547 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.149 2.500 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.846 3.811 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.587 2.050 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.798 3.326 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.103 1.673 6.868 1.00 0.00 H new ATOM 847 N GLY A 57 -6.807 1.359 5.144 1.00 0.00 N ATOM 848 CA GLY A 57 -8.222 1.705 5.233 1.00 0.00 C ATOM 849 C GLY A 57 -8.547 2.840 4.287 1.00 0.00 C ATOM 850 O GLY A 57 -7.867 3.012 3.269 1.00 0.00 O ATOM 0 H GLY A 57 -6.566 0.788 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.832 0.835 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.469 1.993 6.255 1.00 0.00 H new ATOM 854 N TYR A 58 -9.595 3.605 4.609 1.00 0.00 N ATOM 855 CA TYR A 58 -10.020 4.718 3.760 1.00 0.00 C ATOM 856 C TYR A 58 -9.202 5.946 4.083 1.00 0.00 C ATOM 857 O TYR A 58 -9.080 6.316 5.258 1.00 0.00 O ATOM 858 CB TYR A 58 -11.511 5.083 3.994 1.00 0.00 C ATOM 859 CG TYR A 58 -12.156 4.149 4.986 1.00 0.00 C ATOM 860 CD1 TYR A 58 -11.933 4.334 6.359 1.00 0.00 C ATOM 861 CD2 TYR A 58 -12.983 3.112 4.549 1.00 0.00 C ATOM 862 CE1 TYR A 58 -12.538 3.486 7.284 1.00 0.00 C ATOM 863 CE2 TYR A 58 -13.583 2.262 5.480 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.359 2.452 6.848 1.00 0.00 C ATOM 865 OH TYR A 58 -13.960 1.620 7.768 1.00 0.00 O ATOM 0 H TYR A 58 -10.161 3.473 5.447 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.880 4.404 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.584 6.108 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.051 5.041 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.292 5.134 6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.158 2.968 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.369 3.632 8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.220 1.457 5.144 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.501 0.951 7.299 1.00 0.00 H new ATOM 875 N PHE A 59 -8.735 6.642 3.060 1.00 0.00 N ATOM 876 CA PHE A 59 -8.024 7.898 3.268 1.00 0.00 C ATOM 877 C PHE A 59 -8.364 8.888 2.176 1.00 0.00 C ATOM 878 O PHE A 59 -8.724 8.497 1.076 1.00 0.00 O ATOM 879 CB PHE A 59 -6.511 7.671 3.309 1.00 0.00 C ATOM 880 CG PHE A 59 -6.008 7.169 1.969 1.00 0.00 C ATOM 881 CD1 PHE A 59 -6.004 5.800 1.682 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.504 8.076 1.028 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.504 5.341 0.471 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.012 7.609 -0.190 1.00 0.00 C ATOM 885 CZ PHE A 59 -5.009 6.245 -0.464 1.00 0.00 C ATOM 0 H PHE A 59 -8.833 6.364 2.084 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.341 8.305 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.005 8.601 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.268 6.949 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.391 5.098 2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.497 9.134 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.499 4.283 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.633 8.307 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.621 5.886 -1.406 1.00 0.00 H new ATOM 895 N GLY A 60 -8.242 10.171 2.481 1.00 0.00 N ATOM 896 CA GLY A 60 -8.533 11.217 1.504 1.00 0.00 C ATOM 897 C GLY A 60 -7.243 11.743 0.888 1.00 0.00 C ATOM 898 O GLY A 60 -6.150 11.353 1.306 1.00 0.00 O ATOM 0 H GLY A 60 -7.945 10.515 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.182 10.823 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.073 12.033 1.985 1.00 0.00 H new ATOM 902 N ARG A 61 -7.362 12.610 -0.111 1.00 0.00 N ATOM 903 CA ARG A 61 -6.197 13.129 -0.806 1.00 0.00 C ATOM 904 C ARG A 61 -5.459 14.077 0.100 1.00 0.00 C ATOM 905 O ARG A 61 -6.077 14.863 0.828 1.00 0.00 O ATOM 906 CB ARG A 61 -6.629 13.868 -2.082 1.00 0.00 C ATOM 907 CG ARG A 61 -7.404 12.900 -2.977 1.00 0.00 C ATOM 908 CD ARG A 61 -7.944 13.631 -4.210 1.00 0.00 C ATOM 909 NE ARG A 61 -6.929 13.702 -5.260 1.00 0.00 N ATOM 910 CZ ARG A 61 -6.915 12.816 -6.272 1.00 0.00 C ATOM 911 NH1 ARG A 61 -7.799 11.851 -6.314 1.00 0.00 N ATOM 912 NH2 ARG A 61 -6.022 12.912 -7.207 1.00 0.00 N ATOM 0 H ARG A 61 -8.254 12.966 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.545 12.300 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.251 14.727 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.756 14.252 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.754 12.081 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.229 12.458 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.827 13.114 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.257 14.637 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.220 14.435 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.501 11.770 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.786 11.181 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.329 13.660 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.012 12.240 -7.974 1.00 0.00 H new ATOM 926 N GLY A 62 -4.157 13.988 0.085 1.00 0.00 N ATOM 927 CA GLY A 62 -3.319 14.808 0.931 1.00 0.00 C ATOM 928 C GLY A 62 -3.131 14.158 2.294 1.00 0.00 C ATOM 929 O GLY A 62 -2.323 14.616 3.103 1.00 0.00 O ATOM 0 H GLY A 62 -3.641 13.344 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.349 14.956 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.769 15.793 1.051 1.00 0.00 H new ATOM 933 N LYS A 63 -3.832 13.052 2.529 1.00 0.00 N ATOM 934 CA LYS A 63 -3.677 12.298 3.769 1.00 0.00 C ATOM 935 C LYS A 63 -2.292 11.646 3.808 1.00 0.00 C ATOM 936 O LYS A 63 -1.631 11.600 4.860 1.00 0.00 O ATOM 937 CB LYS A 63 -4.778 11.233 3.894 1.00 0.00 C ATOM 938 CG LYS A 63 -4.693 10.517 5.257 1.00 0.00 C ATOM 939 CD LYS A 63 -5.033 11.510 6.389 1.00 0.00 C ATOM 940 CE LYS A 63 -5.225 10.764 7.725 1.00 0.00 C ATOM 941 NZ LYS A 63 -5.894 9.455 7.492 1.00 0.00 N ATOM 0 H LYS A 63 -4.512 12.659 1.878 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.770 12.982 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.757 11.700 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.680 10.505 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.384 9.674 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.692 10.112 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.234 12.245 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.941 12.058 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.259 10.606 8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.823 11.370 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.230 9.071 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.702 9.587 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.218 8.791 7.064 1.00 0.00 H new ATOM 955 N MET A 64 -1.872 11.131 2.662 1.00 0.00 N ATOM 956 CA MET A 64 -0.582 10.461 2.506 1.00 0.00 C ATOM 957 C MET A 64 0.237 11.122 1.414 1.00 0.00 C ATOM 958 O MET A 64 -0.273 11.949 0.657 1.00 0.00 O ATOM 959 CB MET A 64 -0.755 8.965 2.226 1.00 0.00 C ATOM 960 CG MET A 64 -1.274 8.264 3.488 1.00 0.00 C ATOM 961 SD MET A 64 -1.465 6.497 3.167 1.00 0.00 S ATOM 962 CE MET A 64 -2.999 6.613 2.213 1.00 0.00 C ATOM 0 H MET A 64 -2.421 11.165 1.803 1.00 0.00 H new ATOM 0 HA MET A 64 -0.043 10.559 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.453 8.817 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.196 8.529 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.580 8.421 4.314 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.229 8.694 3.788 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.387 5.612 2.025 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.735 7.187 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.800 7.110 1.263 1.00 0.00 H new ATOM 972 N VAL A 65 1.529 10.867 1.419 1.00 0.00 N ATOM 973 CA VAL A 65 2.429 11.506 0.475 1.00 0.00 C ATOM 974 C VAL A 65 1.913 11.340 -0.960 1.00 0.00 C ATOM 975 O VAL A 65 1.371 10.279 -1.323 1.00 0.00 O ATOM 976 CB VAL A 65 3.844 10.920 0.609 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.366 11.160 2.028 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.821 9.412 0.332 1.00 0.00 C ATOM 0 H VAL A 65 1.982 10.222 2.066 1.00 0.00 H new ATOM 0 HA VAL A 65 2.470 12.571 0.702 1.00 0.00 H new ATOM 0 HB VAL A 65 4.496 11.409 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.369 10.744 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.397 12.231 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.704 10.676 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.829 9.009 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.162 8.921 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.455 9.233 -0.679 1.00 0.00 H new ATOM 988 N LYS A 66 2.045 12.402 -1.753 1.00 0.00 N ATOM 989 CA LYS A 66 1.551 12.416 -3.129 1.00 0.00 C ATOM 990 C LYS A 66 1.905 11.123 -3.866 1.00 0.00 C ATOM 991 O LYS A 66 1.049 10.541 -4.533 1.00 0.00 O ATOM 992 CB LYS A 66 2.107 13.632 -3.898 1.00 0.00 C ATOM 993 CG LYS A 66 1.251 14.884 -3.622 1.00 0.00 C ATOM 994 CD LYS A 66 1.134 15.728 -4.907 1.00 0.00 C ATOM 995 CE LYS A 66 1.027 17.219 -4.557 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.054 17.428 -3.553 1.00 0.00 N ATOM 0 H LYS A 66 2.494 13.271 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 66 0.465 12.494 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.139 13.817 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.117 13.420 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.260 14.590 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.702 15.477 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.003 15.558 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.258 15.417 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.977 17.578 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.817 17.798 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.284 18.441 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.901 16.897 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.267 17.093 -2.622 1.00 0.00 H new ATOM 1010 N PRO A 67 3.137 10.660 -3.764 1.00 0.00 N ATOM 1011 CA PRO A 67 3.539 9.404 -4.466 1.00 0.00 C ATOM 1012 C PRO A 67 2.616 8.256 -4.087 1.00 0.00 C ATOM 1013 O PRO A 67 2.130 7.507 -4.944 1.00 0.00 O ATOM 1014 CB PRO A 67 4.937 9.120 -3.913 1.00 0.00 C ATOM 1015 CG PRO A 67 5.496 10.450 -3.533 1.00 0.00 C ATOM 1016 CD PRO A 67 4.310 11.354 -3.182 1.00 0.00 C ATOM 0 HA PRO A 67 3.501 9.504 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.890 8.454 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.562 8.631 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.172 10.355 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.074 10.874 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.207 11.474 -2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.432 12.352 -3.604 1.00 0.00 H new ATOM 1024 N PHE A 68 2.369 8.138 -2.796 1.00 0.00 N ATOM 1025 CA PHE A 68 1.528 7.077 -2.279 1.00 0.00 C ATOM 1026 C PHE A 68 0.128 7.192 -2.839 1.00 0.00 C ATOM 1027 O PHE A 68 -0.447 6.216 -3.334 1.00 0.00 O ATOM 1028 CB PHE A 68 1.463 7.155 -0.755 1.00 0.00 C ATOM 1029 CG PHE A 68 0.704 5.966 -0.246 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.691 6.000 -0.191 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.396 4.830 0.162 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.392 4.887 0.268 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.697 3.725 0.623 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.698 3.752 0.677 1.00 0.00 C ATOM 0 H PHE A 68 2.741 8.767 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 68 1.959 6.122 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.468 7.170 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.973 8.078 -0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.224 6.886 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.475 4.809 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.471 4.905 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.232 2.842 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.240 2.890 1.037 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.420 8.390 -2.758 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.769 8.622 -3.214 1.00 0.00 C ATOM 1046 C GLU A 69 -1.858 8.430 -4.711 1.00 0.00 C ATOM 1047 O GLU A 69 -2.791 7.801 -5.221 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.234 10.028 -2.819 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.379 10.096 -1.288 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.871 11.463 -0.837 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.134 12.304 -1.687 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.982 11.660 0.354 1.00 0.00 O ATOM 0 H GLU A 69 0.050 9.213 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.428 7.898 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.516 10.772 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.186 10.258 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.076 9.328 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.418 9.881 -0.820 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.844 8.904 -5.405 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.789 8.764 -6.846 1.00 0.00 C ATOM 1061 C ASP A 70 -0.830 7.307 -7.247 1.00 0.00 C ATOM 1062 O ASP A 70 -1.578 6.924 -8.153 1.00 0.00 O ATOM 1063 CB ASP A 70 0.462 9.450 -7.408 1.00 0.00 C ATOM 1064 CG ASP A 70 0.578 9.205 -8.892 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.357 9.510 -9.597 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.595 8.704 -9.307 1.00 0.00 O ATOM 0 H ASP A 70 -0.046 9.390 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.666 9.254 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.415 10.521 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.350 9.072 -6.901 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.064 6.483 -6.559 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.084 5.050 -6.832 1.00 0.00 C ATOM 1073 C ALA A 71 -1.428 4.441 -6.441 1.00 0.00 C ATOM 1074 O ALA A 71 -1.918 3.524 -7.097 1.00 0.00 O ATOM 1075 CB ALA A 71 1.050 4.336 -6.089 1.00 0.00 C ATOM 0 H ALA A 71 0.573 6.770 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 71 0.062 4.915 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.014 3.269 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.009 4.741 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.935 4.490 -5.016 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.985 4.914 -5.330 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.231 4.355 -4.800 1.00 0.00 C ATOM 1083 C ALA A 72 -4.404 4.563 -5.751 1.00 0.00 C ATOM 1084 O ALA A 72 -5.250 3.676 -5.907 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.563 4.968 -3.440 1.00 0.00 C ATOM 0 H ALA A 72 -1.598 5.680 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.072 3.282 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.492 4.539 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.756 4.756 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.678 6.047 -3.545 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.473 5.736 -6.365 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.589 6.051 -7.263 1.00 0.00 C ATOM 1093 C PHE A 73 -5.638 5.111 -8.446 1.00 0.00 C ATOM 1094 O PHE A 73 -6.717 4.756 -8.926 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.577 7.519 -7.711 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.155 8.366 -6.601 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.530 8.330 -6.350 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.323 9.170 -5.817 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.075 9.092 -5.318 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.868 9.937 -4.782 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.246 9.895 -4.531 1.00 0.00 C ATOM 0 H PHE A 73 -3.783 6.480 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.504 5.902 -6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.560 7.837 -7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.161 7.641 -8.623 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.172 7.710 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.261 9.199 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.138 9.062 -5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.227 10.561 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.667 10.483 -3.729 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.485 4.659 -8.876 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.414 3.710 -9.974 1.00 0.00 C ATOM 1113 C ARG A 74 -5.128 2.417 -9.615 1.00 0.00 C ATOM 1114 O ARG A 74 -5.652 1.720 -10.490 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.956 3.380 -10.330 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.270 4.570 -11.008 1.00 0.00 C ATOM 1117 CD ARG A 74 -0.803 4.205 -11.291 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.735 3.037 -12.174 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.426 2.473 -12.522 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.543 3.005 -12.131 1.00 0.00 N ATOM 1121 NH2 ARG A 74 0.434 1.397 -13.263 1.00 0.00 N ATOM 0 H ARG A 74 -3.582 4.929 -8.487 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.899 4.175 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.410 3.109 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.927 2.514 -10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.782 4.821 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.322 5.450 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.293 5.050 -11.753 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.286 3.993 -10.355 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.603 2.641 -12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.533 3.850 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.431 2.578 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.446 0.987 -13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.320 0.967 -13.528 1.00 0.00 H new ATOM 1135 N LEU A 75 -5.004 2.016 -8.361 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.449 0.688 -7.943 1.00 0.00 C ATOM 1137 C LEU A 75 -6.878 0.651 -7.471 1.00 0.00 C ATOM 1138 O LEU A 75 -7.305 -0.369 -6.937 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.585 0.150 -6.827 1.00 0.00 C ATOM 1140 CG LEU A 75 -3.123 0.142 -7.227 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.328 -0.390 -6.053 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.907 -0.754 -8.454 1.00 0.00 C ATOM 0 H LEU A 75 -4.602 2.584 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.364 0.072 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.718 0.760 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.902 -0.862 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.799 1.150 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.269 -0.409 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.481 0.255 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.662 -1.400 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.852 -0.748 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.215 -1.773 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.500 -0.378 -9.288 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.613 1.738 -7.604 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.978 1.747 -7.096 1.00 0.00 C ATOM 1156 C GLN A 76 -9.737 0.521 -7.614 1.00 0.00 C ATOM 1157 O GLN A 76 -10.602 -0.025 -6.928 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.697 3.045 -7.477 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.034 4.220 -6.738 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.710 5.530 -7.111 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -9.652 5.953 -8.266 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.349 6.202 -6.216 1.00 0.00 N ATOM 0 H GLN A 76 -7.304 2.604 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.946 1.699 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.646 3.201 -8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.753 2.982 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.099 4.064 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.975 4.265 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.400 5.856 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.804 7.080 -6.466 1.00 0.00 H new ATOM 1171 N VAL A 77 -9.320 0.031 -8.768 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.894 -1.173 -9.347 1.00 0.00 C ATOM 1173 C VAL A 77 -9.665 -2.424 -8.460 1.00 0.00 C ATOM 1174 O VAL A 77 -10.514 -3.312 -8.414 1.00 0.00 O ATOM 1175 CB VAL A 77 -9.335 -1.390 -10.768 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.978 -2.093 -10.712 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -10.316 -2.226 -11.591 1.00 0.00 C ATOM 0 H VAL A 77 -8.579 0.452 -9.328 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.973 -1.031 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.204 -0.416 -11.240 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.601 -2.237 -11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.275 -1.482 -10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.090 -3.062 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.915 -2.375 -12.593 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.462 -3.193 -11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.272 -1.706 -11.656 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.528 -2.485 -7.760 1.00 0.00 N ATOM 1188 CA GLY A 78 -8.241 -3.639 -6.887 1.00 0.00 C ATOM 1189 C GLY A 78 -6.971 -4.379 -7.291 1.00 0.00 C ATOM 1190 O GLY A 78 -7.005 -5.589 -7.517 1.00 0.00 O ATOM 0 H GLY A 78 -7.802 -1.768 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.145 -3.295 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.084 -4.330 -6.915 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.883 -3.643 -7.479 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.633 -4.233 -7.953 1.00 0.00 C ATOM 1196 C GLU A 79 -3.446 -3.860 -7.067 1.00 0.00 C ATOM 1197 O GLU A 79 -3.569 -3.024 -6.163 1.00 0.00 O ATOM 1198 CB GLU A 79 -4.363 -3.803 -9.396 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.149 -5.033 -10.283 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.743 -5.577 -10.121 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -2.498 -6.286 -9.160 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -1.922 -5.293 -10.963 1.00 0.00 O ATOM 0 H GLU A 79 -5.839 -2.638 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.747 -5.316 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.202 -3.216 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.483 -3.161 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.874 -5.804 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.324 -4.769 -11.326 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.290 -4.455 -7.367 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.042 -4.153 -6.678 1.00 0.00 C ATOM 1211 C VAL A 80 -0.276 -3.117 -7.495 1.00 0.00 C ATOM 1212 O VAL A 80 -0.132 -3.255 -8.718 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.178 -5.425 -6.545 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.172 -5.086 -5.906 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.894 -6.467 -5.689 1.00 0.00 C ATOM 0 H VAL A 80 -2.197 -5.161 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.264 -3.772 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.013 -5.831 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.771 -5.992 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.698 -4.362 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.009 -4.661 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.272 -7.358 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.078 -6.058 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.844 -6.730 -6.155 1.00 0.00 H new ATOM 1225 N SER A 81 0.169 -2.082 -6.843 1.00 0.00 N ATOM 1226 CA SER A 81 0.890 -1.003 -7.492 1.00 0.00 C ATOM 1227 C SER A 81 2.327 -1.389 -7.748 1.00 0.00 C ATOM 1228 O SER A 81 2.867 -2.253 -7.059 1.00 0.00 O ATOM 1229 CB SER A 81 0.837 0.227 -6.595 1.00 0.00 C ATOM 1230 OG SER A 81 1.098 -0.177 -5.250 1.00 0.00 O ATOM 0 H SER A 81 0.046 -1.953 -5.839 1.00 0.00 H new ATOM 0 HA SER A 81 0.424 -0.790 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.573 0.963 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.141 0.703 -6.664 1.00 0.00 H new ATOM 0 HG SER A 81 0.263 -0.470 -4.829 1.00 0.00 H new ATOM 1236 N GLU A 82 2.987 -0.638 -8.630 1.00 0.00 N ATOM 1237 CA GLU A 82 4.420 -0.787 -8.806 1.00 0.00 C ATOM 1238 C GLU A 82 5.093 -0.278 -7.542 1.00 0.00 C ATOM 1239 O GLU A 82 4.434 0.324 -6.695 1.00 0.00 O ATOM 1240 CB GLU A 82 4.939 0.000 -10.031 1.00 0.00 C ATOM 1241 CG GLU A 82 3.841 0.861 -10.662 1.00 0.00 C ATOM 1242 CD GLU A 82 4.404 1.636 -11.850 1.00 0.00 C ATOM 1243 OE1 GLU A 82 5.589 1.902 -11.857 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.644 1.963 -12.731 1.00 0.00 O ATOM 0 H GLU A 82 2.554 0.069 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 82 4.652 -1.837 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.771 0.636 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.325 -0.698 -10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.014 0.230 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.440 1.554 -9.922 1.00 0.00 H new ATOM 1251 N PRO A 83 6.362 -0.492 -7.378 1.00 0.00 N ATOM 1252 CA PRO A 83 7.024 -0.001 -6.142 1.00 0.00 C ATOM 1253 C PRO A 83 6.949 1.515 -6.058 1.00 0.00 C ATOM 1254 O PRO A 83 7.122 2.212 -7.066 1.00 0.00 O ATOM 1255 CB PRO A 83 8.468 -0.470 -6.296 1.00 0.00 C ATOM 1256 CG PRO A 83 8.694 -0.533 -7.768 1.00 0.00 C ATOM 1257 CD PRO A 83 7.353 -0.941 -8.384 1.00 0.00 C ATOM 0 HA PRO A 83 6.556 -0.374 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.162 0.222 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.619 -1.444 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.023 0.432 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.472 -1.256 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.192 -0.461 -9.349 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.298 -2.017 -8.550 1.00 0.00 H new ATOM 1265 N VAL A 84 6.741 2.017 -4.865 1.00 0.00 N ATOM 1266 CA VAL A 84 6.661 3.442 -4.624 1.00 0.00 C ATOM 1267 C VAL A 84 7.749 3.837 -3.654 1.00 0.00 C ATOM 1268 O VAL A 84 7.905 3.209 -2.618 1.00 0.00 O ATOM 1269 CB VAL A 84 5.272 3.790 -4.044 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.242 5.225 -3.502 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.206 3.630 -5.130 1.00 0.00 C ATOM 0 H VAL A 84 6.621 1.447 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 84 6.796 3.988 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 84 5.066 3.108 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.252 5.442 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.985 5.331 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.467 5.923 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.227 3.876 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.429 4.300 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.201 2.600 -5.486 1.00 0.00 H new ATOM 1281 N LYS A 85 8.498 4.869 -3.983 1.00 0.00 N ATOM 1282 CA LYS A 85 9.559 5.327 -3.108 1.00 0.00 C ATOM 1283 C LYS A 85 9.171 6.628 -2.455 1.00 0.00 C ATOM 1284 O LYS A 85 8.714 7.553 -3.123 1.00 0.00 O ATOM 1285 CB LYS A 85 10.879 5.503 -3.871 1.00 0.00 C ATOM 1286 CG LYS A 85 11.974 6.007 -2.903 1.00 0.00 C ATOM 1287 CD LYS A 85 12.233 4.956 -1.814 1.00 0.00 C ATOM 1288 CE LYS A 85 13.472 5.335 -1.003 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.232 6.624 -0.306 1.00 0.00 N ATOM 0 H LYS A 85 8.393 5.405 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 85 9.708 4.566 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.182 4.556 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.747 6.212 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.893 6.208 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.664 6.947 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.367 4.881 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.373 3.976 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.698 4.554 -0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.338 5.420 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.990 6.791 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.222 7.398 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.316 6.588 0.185 1.00 0.00 H new ATOM 1303 N SER A 86 9.421 6.724 -1.176 1.00 0.00 N ATOM 1304 CA SER A 86 9.190 7.934 -0.435 1.00 0.00 C ATOM 1305 C SER A 86 10.254 8.056 0.632 1.00 0.00 C ATOM 1306 O SER A 86 11.095 7.143 0.789 1.00 0.00 O ATOM 1307 CB SER A 86 7.792 7.918 0.201 1.00 0.00 C ATOM 1308 OG SER A 86 7.848 7.238 1.454 1.00 0.00 O ATOM 0 H SER A 86 9.794 5.958 -0.615 1.00 0.00 H new ATOM 0 HA SER A 86 9.241 8.791 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.434 8.938 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.084 7.422 -0.463 1.00 0.00 H new ATOM 0 HG SER A 86 7.616 6.295 1.325 1.00 0.00 H new ATOM 1314 N GLU A 87 10.228 9.144 1.373 1.00 0.00 N ATOM 1315 CA GLU A 87 11.168 9.332 2.461 1.00 0.00 C ATOM 1316 C GLU A 87 10.997 8.220 3.486 1.00 0.00 C ATOM 1317 O GLU A 87 11.976 7.763 4.095 1.00 0.00 O ATOM 1318 CB GLU A 87 10.992 10.706 3.119 1.00 0.00 C ATOM 1319 CG GLU A 87 9.505 10.984 3.417 1.00 0.00 C ATOM 1320 CD GLU A 87 9.323 12.389 3.954 1.00 0.00 C ATOM 1321 OE1 GLU A 87 10.015 13.267 3.500 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.486 12.574 4.805 1.00 0.00 O ATOM 0 H GLU A 87 9.568 9.911 1.243 1.00 0.00 H new ATOM 0 HA GLU A 87 12.178 9.291 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.567 10.747 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.387 11.482 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.916 10.857 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.132 10.260 4.142 1.00 0.00 H new ATOM 1329 N PHE A 88 9.761 7.733 3.611 1.00 0.00 N ATOM 1330 CA PHE A 88 9.461 6.628 4.510 1.00 0.00 C ATOM 1331 C PHE A 88 10.223 5.391 4.082 1.00 0.00 C ATOM 1332 O PHE A 88 10.751 4.650 4.922 1.00 0.00 O ATOM 1333 CB PHE A 88 7.954 6.313 4.507 1.00 0.00 C ATOM 1334 CG PHE A 88 7.166 7.392 5.228 1.00 0.00 C ATOM 1335 CD1 PHE A 88 7.058 7.372 6.623 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.538 8.406 4.497 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.320 8.358 7.284 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.799 9.398 5.161 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.693 9.372 6.554 1.00 0.00 C ATOM 0 H PHE A 88 8.954 8.090 3.099 1.00 0.00 H new ATOM 0 HA PHE A 88 9.762 6.920 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.600 6.226 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.780 5.350 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.546 6.593 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.622 8.426 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.234 8.336 8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.313 10.180 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.127 10.135 7.067 1.00 0.00 H new ATOM 1349 N GLY A 89 10.257 5.151 2.780 1.00 0.00 N ATOM 1350 CA GLY A 89 10.931 3.972 2.228 1.00 0.00 C ATOM 1351 C GLY A 89 10.286 3.559 0.915 1.00 0.00 C ATOM 1352 O GLY A 89 9.771 4.409 0.177 1.00 0.00 O ATOM 0 H GLY A 89 9.827 5.755 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.987 4.190 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.879 3.149 2.941 1.00 0.00 H new ATOM 1356 N TYR A 90 10.209 2.258 0.680 1.00 0.00 N ATOM 1357 CA TYR A 90 9.534 1.725 -0.490 1.00 0.00 C ATOM 1358 C TYR A 90 8.209 1.134 -0.092 1.00 0.00 C ATOM 1359 O TYR A 90 8.158 0.290 0.798 1.00 0.00 O ATOM 1360 CB TYR A 90 10.383 0.644 -1.182 1.00 0.00 C ATOM 1361 CG TYR A 90 11.160 1.236 -2.337 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.484 1.570 -3.517 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.542 1.442 -2.240 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.182 2.105 -4.599 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.240 1.980 -3.328 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.555 2.314 -4.507 1.00 0.00 C ATOM 1367 OH TYR A 90 13.237 2.840 -5.582 1.00 0.00 O ATOM 0 H TYR A 90 10.610 1.547 1.292 1.00 0.00 H new ATOM 0 HA TYR A 90 9.381 2.546 -1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.071 0.199 -0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.738 -0.157 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.418 1.413 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.066 1.187 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.657 2.357 -5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.306 2.138 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 90 13.136 2.247 -6.355 1.00 0.00 H new ATOM 1377 N HIS A 91 7.153 1.523 -0.789 1.00 0.00 N ATOM 1378 CA HIS A 91 5.828 0.999 -0.518 1.00 0.00 C ATOM 1379 C HIS A 91 5.392 0.094 -1.633 1.00 0.00 C ATOM 1380 O HIS A 91 5.535 0.451 -2.813 1.00 0.00 O ATOM 1381 CB HIS A 91 4.769 2.120 -0.442 1.00 0.00 C ATOM 1382 CG HIS A 91 5.245 3.306 0.336 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.513 3.834 1.385 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.339 4.123 0.188 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.165 4.927 1.818 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.291 5.139 1.123 1.00 0.00 N ATOM 0 H HIS A 91 7.191 2.202 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 91 5.896 0.475 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.504 2.434 -1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.862 1.728 0.018 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.640 3.463 1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.119 3.991 -0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.823 5.557 2.626 1.00 0.00 H new ATOM 1394 N VAL A 92 4.625 -0.899 -1.273 1.00 0.00 N ATOM 1395 CA VAL A 92 3.838 -1.636 -2.220 1.00 0.00 C ATOM 1396 C VAL A 92 2.386 -1.425 -1.808 1.00 0.00 C ATOM 1397 O VAL A 92 2.062 -1.559 -0.618 1.00 0.00 O ATOM 1398 CB VAL A 92 4.211 -3.126 -2.178 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.227 -3.938 -3.026 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.631 -3.311 -2.728 1.00 0.00 C ATOM 0 H VAL A 92 4.529 -1.220 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 92 4.010 -1.297 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 92 4.166 -3.476 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.500 -4.993 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.218 -3.811 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.262 -3.589 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.898 -4.367 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.672 -2.954 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.334 -2.743 -2.119 1.00 0.00 H new ATOM 1410 N ILE A 93 1.550 -0.979 -2.733 1.00 0.00 N ATOM 1411 CA ILE A 93 0.176 -0.639 -2.391 1.00 0.00 C ATOM 1412 C ILE A 93 -0.790 -1.554 -3.098 1.00 0.00 C ATOM 1413 O ILE A 93 -0.737 -1.687 -4.327 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.137 0.826 -2.769 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.791 1.771 -2.003 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.594 1.165 -2.417 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.635 3.193 -2.553 1.00 0.00 C ATOM 0 H ILE A 93 1.794 -0.845 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 93 0.063 -0.761 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 93 0.016 0.947 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.551 1.752 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.826 1.442 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.802 2.200 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.264 0.504 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.750 1.032 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.295 3.868 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.896 3.205 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.398 3.519 -2.431 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.716 -2.121 -2.342 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.801 -2.898 -2.911 1.00 0.00 C ATOM 1431 C LYS A 94 -4.118 -2.330 -2.427 1.00 0.00 C ATOM 1432 O LYS A 94 -4.208 -1.823 -1.306 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.686 -4.377 -2.565 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.783 -5.155 -3.312 1.00 0.00 C ATOM 1435 CD LYS A 94 -3.624 -6.648 -3.047 1.00 0.00 C ATOM 1436 CE LYS A 94 -4.699 -7.423 -3.819 1.00 0.00 C ATOM 1437 NZ LYS A 94 -4.488 -8.876 -3.631 1.00 0.00 N ATOM 0 H LYS A 94 -1.736 -2.056 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.747 -2.828 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.702 -4.753 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.789 -4.521 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.767 -4.820 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.719 -4.957 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.632 -6.979 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.711 -6.850 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.691 -7.140 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.654 -7.172 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.216 -9.403 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.547 -9.139 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.552 -9.108 -2.619 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.110 -2.328 -3.283 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.377 -1.701 -2.937 1.00 0.00 C ATOM 1453 C ARG A 95 -7.223 -2.574 -2.036 1.00 0.00 C ATOM 1454 O ARG A 95 -7.217 -3.801 -2.148 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.164 -1.271 -4.174 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.792 0.104 -3.908 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.229 -0.059 -3.401 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.131 -0.398 -4.492 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.368 -0.829 -4.270 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.783 -1.035 -3.050 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.162 -1.045 -5.279 1.00 0.00 N ATOM 0 H ARG A 95 -5.074 -2.745 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.125 -0.801 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.506 -1.224 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.940 -2.003 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.198 0.647 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.786 0.697 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.264 -0.838 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.558 0.865 -2.926 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.804 -0.302 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.157 -0.865 -2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.733 -1.366 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.833 -0.883 -6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.113 -1.376 -5.118 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.924 -1.927 -1.122 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.774 -2.595 -0.169 1.00 0.00 C ATOM 1477 C LEU A 96 -10.232 -2.328 -0.506 1.00 0.00 C ATOM 1478 O LEU A 96 -10.598 -1.225 -0.920 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.454 -2.109 1.251 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.430 -2.728 2.256 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.204 -4.243 2.347 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.198 -2.097 3.631 1.00 0.00 C ATOM 0 H LEU A 96 -7.915 -0.912 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.593 -3.669 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.431 -2.379 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.518 -1.022 1.294 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.452 -2.541 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.903 -4.673 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.365 -4.694 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.183 -4.440 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.889 -2.532 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.173 -2.287 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.366 -1.022 3.571 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.045 -3.346 -0.388 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.464 -3.236 -0.680 1.00 0.00 C ATOM 1496 C GLY A 97 -13.274 -3.329 0.599 1.00 0.00 C ATOM 1497 O GLY A 97 -14.357 -2.801 0.628 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.800 -3.922 1.532 1.00 0.00 O ATOM 0 H GLY A 97 -10.750 -4.275 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.667 -2.288 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.763 -4.028 -1.366 1.00 0.00 H new