USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 444 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 12 TYR OH : rot -161:sc= 0.163 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -60:sc= -2.58 USER MOD Single : A 17 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.748) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -122:sc= 1.08 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.909 F(o=-1.9!,f=-0.91) USER MOD Single : A 31 THR OG1 : rot 81:sc= -3.06! USER MOD Single : A 35 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-2.6!) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0.856 (180deg=0.762) USER MOD Single : A 54 ASN : amide:sc= -6.21! C(o=-6.2!,f=-18!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0705 K(o=-0.071,f=-1.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00443) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.060 -1.254 -10.891 1.00 0.00 N ATOM 138 CA TYR A 12 4.750 -0.514 -9.841 1.00 0.00 C ATOM 139 C TYR A 12 5.916 0.286 -10.413 1.00 0.00 C ATOM 140 O TYR A 12 6.519 -0.083 -11.421 1.00 0.00 O ATOM 141 CB TYR A 12 5.254 -1.471 -8.760 1.00 0.00 C ATOM 142 CG TYR A 12 4.257 -2.546 -8.390 1.00 0.00 C ATOM 143 CD1 TYR A 12 2.936 -2.227 -8.103 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.637 -3.881 -8.328 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.022 -3.206 -7.764 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.730 -4.867 -7.992 1.00 0.00 C ATOM 147 CZ TYR A 12 2.424 -4.525 -7.710 1.00 0.00 C ATOM 148 OH TYR A 12 1.517 -5.503 -7.374 1.00 0.00 O ATOM 0 HA TYR A 12 4.039 0.183 -9.397 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.174 -1.943 -9.105 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.505 -0.898 -7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.618 -1.196 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.659 -4.152 -8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.999 -2.941 -7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.042 -5.900 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 12 1.996 -6.309 -7.088 1.00 0.00 H new ATOM 158 N PRO A 13 6.243 1.407 -9.755 1.00 0.00 N ATOM 159 CA PRO A 13 5.532 1.856 -8.554 1.00 0.00 C ATOM 160 C PRO A 13 4.117 2.333 -8.862 1.00 0.00 C ATOM 161 O PRO A 13 3.857 2.885 -9.933 1.00 0.00 O ATOM 162 CB PRO A 13 6.390 3.018 -8.047 1.00 0.00 C ATOM 163 CG PRO A 13 7.095 3.525 -9.258 1.00 0.00 C ATOM 164 CD PRO A 13 7.332 2.324 -10.132 1.00 0.00 C ATOM 0 HA PRO A 13 5.409 1.051 -7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.775 3.795 -7.592 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.097 2.686 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.493 4.272 -9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.036 4.004 -8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.291 2.583 -11.190 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.311 1.881 -9.950 1.00 0.00 H new ATOM 172 N LEU A 14 3.207 2.119 -7.919 1.00 0.00 N ATOM 173 CA LEU A 14 1.817 2.528 -8.090 1.00 0.00 C ATOM 174 C LEU A 14 1.324 3.305 -6.874 1.00 0.00 C ATOM 175 O LEU A 14 1.243 2.767 -5.770 1.00 0.00 O ATOM 176 CB LEU A 14 0.929 1.304 -8.321 1.00 0.00 C ATOM 177 CG LEU A 14 1.035 0.648 -9.699 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.337 -0.703 -9.701 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.446 1.556 -10.768 1.00 0.00 C ATOM 0 H LEU A 14 3.406 1.665 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 14 1.761 3.180 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.171 0.557 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.108 1.597 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 14 2.089 0.490 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.422 -1.155 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.803 -1.355 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.716 -0.569 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.530 1.074 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.604 1.745 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.990 2.501 -10.783 1.00 0.00 H new ATOM 191 N THR A 15 0.994 4.576 -7.084 1.00 0.00 N ATOM 192 CA THR A 15 0.508 5.428 -6.006 1.00 0.00 C ATOM 193 C THR A 15 -0.918 5.059 -5.615 1.00 0.00 C ATOM 194 O THR A 15 -1.829 5.100 -6.442 1.00 0.00 O ATOM 195 CB THR A 15 0.552 6.916 -6.402 1.00 0.00 C ATOM 196 OG1 THR A 15 1.794 7.214 -7.050 1.00 0.00 O ATOM 197 CG2 THR A 15 0.385 7.806 -5.180 1.00 0.00 C ATOM 0 H THR A 15 1.055 5.038 -7.991 1.00 0.00 H new ATOM 0 HA THR A 15 1.168 5.268 -5.154 1.00 0.00 H new ATOM 0 HB THR A 15 -0.271 7.111 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.813 8.161 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.419 8.852 -5.484 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.574 7.597 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.190 7.607 -4.472 1.00 0.00 H new ATOM 205 N CYS A 16 -1.106 4.701 -4.349 1.00 0.00 N ATOM 206 CA CYS A 16 -2.423 4.325 -3.848 1.00 0.00 C ATOM 207 C CYS A 16 -2.977 5.398 -2.917 1.00 0.00 C ATOM 208 O CYS A 16 -2.304 6.386 -2.620 1.00 0.00 O ATOM 209 CB CYS A 16 -2.350 2.985 -3.115 1.00 0.00 C ATOM 210 SG CYS A 16 -1.016 2.881 -1.899 1.00 0.00 S ATOM 0 H CYS A 16 -0.363 4.663 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.094 4.228 -4.701 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.300 2.806 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.222 2.188 -3.848 1.00 0.00 H new ATOM 0 HG CYS A 16 0.127 3.052 -2.493 1.00 0.00 H new ATOM 216 N LYS A 17 -4.208 5.199 -2.459 1.00 0.00 N ATOM 217 CA LYS A 17 -4.854 6.149 -1.561 1.00 0.00 C ATOM 218 C LYS A 17 -5.522 5.428 -0.395 1.00 0.00 C ATOM 219 O LYS A 17 -6.568 4.799 -0.558 1.00 0.00 O ATOM 220 CB LYS A 17 -5.891 6.978 -2.323 1.00 0.00 C ATOM 221 CG LYS A 17 -6.593 8.014 -1.462 1.00 0.00 C ATOM 222 CD LYS A 17 -5.854 9.341 -1.472 1.00 0.00 C ATOM 223 CE LYS A 17 -6.807 10.512 -1.287 1.00 0.00 C ATOM 224 NZ LYS A 17 -7.525 10.442 0.016 1.00 0.00 N ATOM 0 H LYS A 17 -4.779 4.387 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.087 6.814 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.400 7.482 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.637 6.308 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.610 8.160 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.669 7.647 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.108 9.349 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.318 9.453 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.249 11.447 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.532 10.523 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.542 10.308 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.159 9.642 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.376 11.326 0.543 1.00 0.00 H new ATOM 238 N VAL A 18 -4.912 5.524 0.782 1.00 0.00 N ATOM 239 CA VAL A 18 -5.450 4.883 1.976 1.00 0.00 C ATOM 240 C VAL A 18 -6.844 5.407 2.302 1.00 0.00 C ATOM 241 O VAL A 18 -6.994 6.476 2.893 1.00 0.00 O ATOM 242 CB VAL A 18 -4.532 5.105 3.194 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.142 4.485 4.442 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.147 4.535 2.927 1.00 0.00 C ATOM 0 H VAL A 18 -4.045 6.039 0.934 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.508 3.816 1.763 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.432 6.177 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.480 4.652 5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.110 4.945 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.273 3.414 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.512 4.700 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.225 3.465 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.711 5.030 2.060 1.00 0.00 H new ATOM 254 N VAL A 19 -7.862 4.647 1.912 1.00 0.00 N ATOM 255 CA VAL A 19 -9.245 5.034 2.163 1.00 0.00 C ATOM 256 C VAL A 19 -9.706 4.563 3.538 1.00 0.00 C ATOM 257 O VAL A 19 -10.619 5.140 4.130 1.00 0.00 O ATOM 258 CB VAL A 19 -10.192 4.460 1.093 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.102 5.273 -0.190 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.874 2.996 0.829 1.00 0.00 C ATOM 0 H VAL A 19 -7.755 3.759 1.421 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.281 6.123 2.123 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.214 4.524 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.778 4.853 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.383 6.306 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.080 5.243 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.553 2.607 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.846 2.905 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.994 2.426 1.750 1.00 0.00 H new ATOM 270 N TYR A 20 -9.068 3.512 4.042 1.00 0.00 N ATOM 271 CA TYR A 20 -9.414 2.962 5.347 1.00 0.00 C ATOM 272 C TYR A 20 -8.188 2.895 6.252 1.00 0.00 C ATOM 273 O TYR A 20 -7.169 2.305 5.894 1.00 0.00 O ATOM 274 CB TYR A 20 -10.023 1.568 5.191 1.00 0.00 C ATOM 275 CG TYR A 20 -11.475 1.585 4.770 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.843 1.979 3.489 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.479 1.207 5.653 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.168 1.997 3.101 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.807 1.220 5.272 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.147 1.617 3.995 1.00 0.00 C ATOM 281 OH TYR A 20 -15.468 1.632 3.611 1.00 0.00 O ATOM 0 H TYR A 20 -8.309 3.024 3.566 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.148 3.622 5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.446 1.009 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.934 1.034 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.080 2.276 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.217 0.898 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.437 2.307 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.575 0.921 5.970 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.029 1.335 4.358 1.00 0.00 H new ATOM 291 N SER A 21 -8.295 3.504 7.429 1.00 0.00 N ATOM 292 CA SER A 21 -7.194 3.518 8.386 1.00 0.00 C ATOM 293 C SER A 21 -6.898 2.109 8.892 1.00 0.00 C ATOM 294 O SER A 21 -7.796 1.274 8.998 1.00 0.00 O ATOM 295 CB SER A 21 -7.526 4.436 9.564 1.00 0.00 C ATOM 296 OG SER A 21 -6.578 4.290 10.607 1.00 0.00 O ATOM 0 H SER A 21 -9.133 3.994 7.743 1.00 0.00 H new ATOM 0 HA SER A 21 -6.307 3.897 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.544 5.473 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.523 4.205 9.939 1.00 0.00 H new ATOM 0 HG SER A 21 -6.811 4.888 11.347 1.00 0.00 H new ATOM 302 N TYR A 22 -5.632 1.854 9.203 1.00 0.00 N ATOM 303 CA TYR A 22 -5.215 0.547 9.696 1.00 0.00 C ATOM 304 C TYR A 22 -3.991 0.670 10.599 1.00 0.00 C ATOM 305 O TYR A 22 -2.917 1.078 10.156 1.00 0.00 O ATOM 306 CB TYR A 22 -4.908 -0.389 8.526 1.00 0.00 C ATOM 307 CG TYR A 22 -4.243 -1.682 8.942 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.000 -2.793 9.292 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.859 -1.792 8.985 1.00 0.00 C ATOM 310 CE1 TYR A 22 -4.397 -3.976 9.674 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.247 -2.971 9.364 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.021 -4.060 9.708 1.00 0.00 C ATOM 313 OH TYR A 22 -2.416 -5.237 10.087 1.00 0.00 O ATOM 0 H TYR A 22 -4.877 2.535 9.122 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.035 0.129 10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.836 -0.620 8.003 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.263 0.130 7.817 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.078 -2.731 9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.251 -0.941 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.000 -4.830 9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.170 -3.040 9.391 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.833 -5.072 10.857 1.00 0.00 H new ATOM 323 N LYS A 23 -4.161 0.313 11.867 1.00 0.00 N ATOM 324 CA LYS A 23 -3.071 0.381 12.834 1.00 0.00 C ATOM 325 C LYS A 23 -2.209 -0.876 12.771 1.00 0.00 C ATOM 326 O LYS A 23 -2.719 -1.994 12.839 1.00 0.00 O ATOM 327 CB LYS A 23 -3.628 0.560 14.248 1.00 0.00 C ATOM 328 CG LYS A 23 -4.007 1.994 14.575 1.00 0.00 C ATOM 329 CD LYS A 23 -5.384 2.343 14.034 1.00 0.00 C ATOM 330 CE LYS A 23 -6.478 2.009 15.037 1.00 0.00 C ATOM 331 NZ LYS A 23 -7.836 2.170 14.449 1.00 0.00 N ATOM 0 H LYS A 23 -5.043 -0.027 12.250 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.449 1.240 12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.506 -0.075 14.367 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.886 0.216 14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.992 2.138 15.655 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.266 2.673 14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.423 3.405 13.792 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.561 1.798 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.352 0.984 15.384 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.381 2.655 15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.554 1.933 15.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.966 3.155 14.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.938 1.535 13.632 1.00 0.00 H new ATOM 345 N ALA A 24 -0.901 -0.685 12.642 1.00 0.00 N ATOM 346 CA ALA A 24 0.032 -1.803 12.573 1.00 0.00 C ATOM 347 C ALA A 24 0.241 -2.428 13.948 1.00 0.00 C ATOM 348 O ALA A 24 0.648 -1.752 14.893 1.00 0.00 O ATOM 349 CB ALA A 24 1.362 -1.346 11.991 1.00 0.00 C ATOM 0 H ALA A 24 -0.463 0.234 12.583 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.396 -2.562 11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.049 -2.191 11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.204 -0.952 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.787 -0.567 12.623 1.00 0.00 H new ATOM 355 N SER A 25 -0.040 -3.723 14.054 1.00 0.00 N ATOM 356 CA SER A 25 0.113 -4.438 15.315 1.00 0.00 C ATOM 357 C SER A 25 1.197 -5.506 15.206 1.00 0.00 C ATOM 358 O SER A 25 1.252 -6.434 16.012 1.00 0.00 O ATOM 359 CB SER A 25 -1.213 -5.082 15.725 1.00 0.00 C ATOM 360 OG SER A 25 -1.653 -6.010 14.748 1.00 0.00 O ATOM 0 H SER A 25 -0.375 -4.298 13.281 1.00 0.00 H new ATOM 0 HA SER A 25 0.411 -3.719 16.078 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.094 -5.587 16.684 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.969 -4.309 15.863 1.00 0.00 H new ATOM 0 HG SER A 25 -2.501 -6.409 15.034 1.00 0.00 H new ATOM 366 N GLN A 26 2.058 -5.366 14.203 1.00 0.00 N ATOM 367 CA GLN A 26 3.140 -6.318 13.987 1.00 0.00 C ATOM 368 C GLN A 26 4.437 -5.598 13.632 1.00 0.00 C ATOM 369 O GLN A 26 4.433 -4.477 13.123 1.00 0.00 O ATOM 370 CB GLN A 26 2.769 -7.302 12.876 1.00 0.00 C ATOM 371 CG GLN A 26 1.795 -8.382 13.320 1.00 0.00 C ATOM 372 CD GLN A 26 2.413 -9.357 14.302 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.498 -10.002 13.893 1.00 0.00 O flip ATOM 374 NE2 GLN A 26 1.919 -9.528 15.418 1.00 0.00 N flip ATOM 0 H GLN A 26 2.027 -4.602 13.528 1.00 0.00 H new ATOM 0 HA GLN A 26 3.294 -6.869 14.914 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.332 -6.750 12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.677 -7.775 12.503 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.924 -7.914 13.778 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.441 -8.928 12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.084 -9.010 15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.346 -10.187 16.069 1.00 0.00 H new ATOM 383 N PRO A 27 5.573 -6.255 13.905 1.00 0.00 N ATOM 384 CA PRO A 27 6.899 -5.695 13.623 1.00 0.00 C ATOM 385 C PRO A 27 7.188 -5.618 12.127 1.00 0.00 C ATOM 386 O PRO A 27 8.095 -4.905 11.697 1.00 0.00 O ATOM 387 CB PRO A 27 7.852 -6.682 14.302 1.00 0.00 C ATOM 388 CG PRO A 27 7.100 -7.967 14.345 1.00 0.00 C ATOM 389 CD PRO A 27 5.653 -7.594 14.512 1.00 0.00 C ATOM 0 HA PRO A 27 6.996 -4.671 13.985 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.781 -6.785 13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.121 -6.347 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.252 -8.539 13.430 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.440 -8.591 15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.995 -8.303 14.009 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.361 -7.577 15.562 1.00 0.00 H new ATOM 397 N ASP A 28 6.413 -6.356 11.341 1.00 0.00 N ATOM 398 CA ASP A 28 6.585 -6.369 9.893 1.00 0.00 C ATOM 399 C ASP A 28 5.375 -5.756 9.195 1.00 0.00 C ATOM 400 O ASP A 28 5.099 -6.054 8.034 1.00 0.00 O ATOM 401 CB ASP A 28 6.804 -7.799 9.397 1.00 0.00 C ATOM 402 CG ASP A 28 8.064 -8.423 9.966 1.00 0.00 C ATOM 403 OD1 ASP A 28 8.331 -8.226 11.170 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.783 -9.106 9.207 1.00 0.00 O ATOM 0 H ASP A 28 5.660 -6.953 11.682 1.00 0.00 H new ATOM 0 HA ASP A 28 7.463 -5.770 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.944 -8.411 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.862 -7.798 8.309 1.00 0.00 H new ATOM 409 N GLU A 29 4.656 -4.899 9.913 1.00 0.00 N ATOM 410 CA GLU A 29 3.474 -4.245 9.363 1.00 0.00 C ATOM 411 C GLU A 29 3.680 -2.736 9.269 1.00 0.00 C ATOM 412 O GLU A 29 4.615 -2.188 9.855 1.00 0.00 O ATOM 413 CB GLU A 29 2.247 -4.551 10.226 1.00 0.00 C ATOM 414 CG GLU A 29 1.568 -5.864 9.874 1.00 0.00 C ATOM 415 CD GLU A 29 0.404 -6.182 10.793 1.00 0.00 C ATOM 416 OE1 GLU A 29 -0.202 -5.234 11.334 1.00 0.00 O ATOM 417 OE2 GLU A 29 0.099 -7.380 10.969 1.00 0.00 O ATOM 0 H GLU A 29 4.871 -4.641 10.876 1.00 0.00 H new ATOM 0 HA GLU A 29 3.309 -4.634 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.547 -4.576 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.527 -3.739 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.212 -5.821 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.298 -6.672 9.925 1.00 0.00 H new ATOM 424 N LEU A 30 2.802 -2.070 8.528 1.00 0.00 N ATOM 425 CA LEU A 30 2.886 -0.624 8.356 1.00 0.00 C ATOM 426 C LEU A 30 1.606 0.056 8.829 1.00 0.00 C ATOM 427 O LEU A 30 0.509 -0.280 8.380 1.00 0.00 O ATOM 428 CB LEU A 30 3.149 -0.280 6.889 1.00 0.00 C ATOM 429 CG LEU A 30 3.934 1.007 6.632 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.100 2.224 7.003 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.242 0.999 7.409 1.00 0.00 C ATOM 0 H LEU A 30 2.023 -2.508 8.036 1.00 0.00 H new ATOM 0 HA LEU A 30 3.714 -0.258 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.690 -1.109 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.190 -0.206 6.376 1.00 0.00 H new ATOM 0 HG LEU A 30 4.167 1.061 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.675 3.131 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.191 2.239 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.836 2.176 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.787 1.923 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.031 0.921 8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.846 0.148 7.095 1.00 0.00 H new ATOM 443 N THR A 31 1.752 1.018 9.736 1.00 0.00 N ATOM 444 CA THR A 31 0.608 1.747 10.268 1.00 0.00 C ATOM 445 C THR A 31 0.164 2.847 9.311 1.00 0.00 C ATOM 446 O THR A 31 0.841 3.865 9.164 1.00 0.00 O ATOM 447 CB THR A 31 0.928 2.372 11.638 1.00 0.00 C ATOM 448 OG1 THR A 31 1.467 1.378 12.517 1.00 0.00 O ATOM 449 CG2 THR A 31 -0.319 2.983 12.260 1.00 0.00 C ATOM 0 H THR A 31 2.652 1.310 10.117 1.00 0.00 H new ATOM 0 HA THR A 31 -0.200 1.025 10.387 1.00 0.00 H new ATOM 0 HB THR A 31 1.664 3.162 11.488 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.419 1.252 12.324 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.067 3.418 13.227 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.710 3.760 11.603 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.074 2.209 12.396 1.00 0.00 H new ATOM 457 N ILE A 32 -0.978 2.637 8.664 1.00 0.00 N ATOM 458 CA ILE A 32 -1.513 3.613 7.723 1.00 0.00 C ATOM 459 C ILE A 32 -2.683 4.379 8.330 1.00 0.00 C ATOM 460 O ILE A 32 -3.191 4.015 9.390 1.00 0.00 O ATOM 461 CB ILE A 32 -1.976 2.940 6.417 1.00 0.00 C ATOM 462 CG1 ILE A 32 -3.008 1.852 6.717 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.786 2.358 5.670 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.581 1.203 5.476 1.00 0.00 C ATOM 0 H ILE A 32 -1.550 1.800 8.774 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.705 4.309 7.497 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.444 3.693 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.545 1.085 7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.821 2.285 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.130 1.886 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.083 3.155 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.291 1.615 6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.305 0.442 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.073 1.959 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.777 0.740 4.903 1.00 0.00 H new ATOM 476 N GLU A 33 -3.106 5.440 7.650 1.00 0.00 N ATOM 477 CA GLU A 33 -4.218 6.256 8.124 1.00 0.00 C ATOM 478 C GLU A 33 -4.915 6.953 6.959 1.00 0.00 C ATOM 479 O GLU A 33 -4.264 7.457 6.045 1.00 0.00 O ATOM 480 CB GLU A 33 -3.724 7.295 9.132 1.00 0.00 C ATOM 481 CG GLU A 33 -3.758 6.810 10.572 1.00 0.00 C ATOM 482 CD GLU A 33 -3.853 7.949 11.569 1.00 0.00 C ATOM 483 OE1 GLU A 33 -2.797 8.504 11.937 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.983 8.285 11.980 1.00 0.00 O ATOM 0 H GLU A 33 -2.696 5.754 6.770 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.936 5.598 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.703 7.579 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.336 8.193 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.609 6.142 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.860 6.227 10.776 1.00 0.00 H new ATOM 491 N GLU A 34 -6.244 6.976 7.000 1.00 0.00 N ATOM 492 CA GLU A 34 -7.029 7.609 5.948 1.00 0.00 C ATOM 493 C GLU A 34 -6.359 8.893 5.467 1.00 0.00 C ATOM 494 O GLU A 34 -5.747 9.619 6.251 1.00 0.00 O ATOM 495 CB GLU A 34 -8.442 7.916 6.450 1.00 0.00 C ATOM 496 CG GLU A 34 -9.438 8.188 5.335 1.00 0.00 C ATOM 497 CD GLU A 34 -10.874 8.180 5.821 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.203 7.339 6.684 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.669 9.014 5.339 1.00 0.00 O ATOM 0 H GLU A 34 -6.798 6.564 7.750 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.091 6.915 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.797 7.076 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.404 8.782 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.217 9.155 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.318 7.437 4.555 1.00 0.00 H new ATOM 506 N HIS A 35 -6.479 9.167 4.172 1.00 0.00 N ATOM 507 CA HIS A 35 -5.885 10.363 3.585 1.00 0.00 C ATOM 508 C HIS A 35 -4.362 10.269 3.584 1.00 0.00 C ATOM 509 O HIS A 35 -3.673 11.219 3.955 1.00 0.00 O ATOM 510 CB HIS A 35 -6.331 11.608 4.352 1.00 0.00 C ATOM 511 CG HIS A 35 -7.791 11.614 4.688 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.278 12.008 5.916 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.871 11.273 3.948 1.00 0.00 C ATOM 514 CE1 HIS A 35 -9.596 11.907 5.917 1.00 0.00 C ATOM 515 NE2 HIS A 35 -9.980 11.463 4.734 1.00 0.00 N ATOM 0 H HIS A 35 -6.982 8.577 3.509 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.227 10.440 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.754 11.683 5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.100 12.493 3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.862 10.917 2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.248 12.147 6.744 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.944 11.289 4.450 1.00 0.00 H new ATOM 524 N GLU A 36 -3.845 9.118 3.167 1.00 0.00 N ATOM 525 CA GLU A 36 -2.404 8.901 3.121 1.00 0.00 C ATOM 526 C GLU A 36 -1.985 8.315 1.775 1.00 0.00 C ATOM 527 O GLU A 36 -2.231 7.142 1.493 1.00 0.00 O ATOM 528 CB GLU A 36 -1.970 7.969 4.253 1.00 0.00 C ATOM 529 CG GLU A 36 -0.480 7.666 4.255 1.00 0.00 C ATOM 530 CD GLU A 36 0.040 7.306 5.634 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.540 6.400 6.267 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.025 7.931 6.078 1.00 0.00 O ATOM 0 H GLU A 36 -4.402 8.322 2.856 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.913 9.866 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.242 8.419 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.522 7.033 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.279 6.843 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.064 8.533 3.881 1.00 0.00 H new ATOM 539 N VAL A 37 -1.350 9.140 0.949 1.00 0.00 N ATOM 540 CA VAL A 37 -0.896 8.705 -0.367 1.00 0.00 C ATOM 541 C VAL A 37 0.424 7.948 -0.270 1.00 0.00 C ATOM 542 O VAL A 37 1.452 8.517 0.099 1.00 0.00 O ATOM 543 CB VAL A 37 -0.722 9.899 -1.324 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.208 9.429 -2.676 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.033 10.655 -1.476 1.00 0.00 C ATOM 0 H VAL A 37 -1.138 10.114 1.168 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.664 8.041 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 37 0.016 10.579 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.091 10.286 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.755 8.936 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.919 8.728 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.892 11.495 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.794 9.987 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.354 11.026 -0.503 1.00 0.00 H new ATOM 555 N LEU A 38 0.388 6.663 -0.604 1.00 0.00 N ATOM 556 CA LEU A 38 1.583 5.827 -0.555 1.00 0.00 C ATOM 557 C LEU A 38 2.002 5.395 -1.957 1.00 0.00 C ATOM 558 O LEU A 38 1.285 5.629 -2.929 1.00 0.00 O ATOM 559 CB LEU A 38 1.332 4.595 0.317 1.00 0.00 C ATOM 560 CG LEU A 38 0.724 4.861 1.694 1.00 0.00 C ATOM 561 CD1 LEU A 38 0.177 3.574 2.293 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.755 5.486 2.621 1.00 0.00 C ATOM 0 H LEU A 38 -0.455 6.177 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 38 2.391 6.415 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.671 3.919 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.279 4.073 0.455 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.101 5.563 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.252 3.782 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.594 3.167 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.984 2.849 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.304 5.668 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.601 4.808 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.099 6.430 2.198 1.00 0.00 H new ATOM 574 N GLU A 39 3.167 4.762 -2.051 1.00 0.00 N ATOM 575 CA GLU A 39 3.681 4.296 -3.334 1.00 0.00 C ATOM 576 C GLU A 39 4.050 2.817 -3.268 1.00 0.00 C ATOM 577 O GLU A 39 5.083 2.448 -2.708 1.00 0.00 O ATOM 578 CB GLU A 39 4.902 5.119 -3.749 1.00 0.00 C ATOM 579 CG GLU A 39 5.310 4.914 -5.198 1.00 0.00 C ATOM 580 CD GLU A 39 6.196 6.030 -5.718 1.00 0.00 C ATOM 581 OE1 GLU A 39 7.424 5.960 -5.506 1.00 0.00 O ATOM 582 OE2 GLU A 39 5.660 6.972 -6.338 1.00 0.00 O ATOM 0 H GLU A 39 3.772 4.560 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 39 2.895 4.424 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.690 6.176 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.741 4.859 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.836 3.964 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.416 4.847 -5.817 1.00 0.00 H new ATOM 589 N VAL A 40 3.198 1.974 -3.842 1.00 0.00 N ATOM 590 CA VAL A 40 3.434 0.535 -3.849 1.00 0.00 C ATOM 591 C VAL A 40 4.616 0.176 -4.743 1.00 0.00 C ATOM 592 O VAL A 40 4.513 0.215 -5.970 1.00 0.00 O ATOM 593 CB VAL A 40 2.190 -0.236 -4.328 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.463 -1.732 -4.350 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.993 0.083 -3.444 1.00 0.00 C ATOM 0 H VAL A 40 2.338 2.263 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 40 3.658 0.247 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 40 1.957 0.081 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.572 -2.259 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.290 -1.941 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.722 -2.069 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.123 -0.470 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.213 -0.204 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.785 1.152 -3.486 1.00 0.00 H new ATOM 605 N ILE A 41 5.736 -0.174 -4.121 1.00 0.00 N ATOM 606 CA ILE A 41 6.937 -0.542 -4.861 1.00 0.00 C ATOM 607 C ILE A 41 7.000 -2.047 -5.095 1.00 0.00 C ATOM 608 O ILE A 41 7.433 -2.503 -6.153 1.00 0.00 O ATOM 609 CB ILE A 41 8.213 -0.095 -4.122 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.240 -0.679 -2.708 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.294 1.423 -4.076 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.487 -0.322 -1.931 1.00 0.00 C ATOM 0 H ILE A 41 5.837 -0.211 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 41 6.884 -0.030 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 41 9.080 -0.469 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.367 -0.325 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.159 -1.764 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.201 1.723 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.316 1.817 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.424 1.818 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.438 -0.769 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.364 -0.700 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.560 0.762 -1.837 1.00 0.00 H new ATOM 624 N GLU A 42 6.562 -2.814 -4.101 1.00 0.00 N ATOM 625 CA GLU A 42 6.568 -4.269 -4.200 1.00 0.00 C ATOM 626 C GLU A 42 5.193 -4.842 -3.868 1.00 0.00 C ATOM 627 O GLU A 42 4.312 -4.130 -3.384 1.00 0.00 O ATOM 628 CB GLU A 42 7.620 -4.862 -3.260 1.00 0.00 C ATOM 629 CG GLU A 42 8.987 -5.025 -3.903 1.00 0.00 C ATOM 630 CD GLU A 42 9.048 -6.204 -4.854 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.534 -6.080 -5.985 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.608 -7.251 -4.467 1.00 0.00 O ATOM 0 H GLU A 42 6.199 -2.452 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 42 6.816 -4.537 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.714 -4.221 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.275 -5.834 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.241 -4.113 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.738 -5.153 -3.123 1.00 0.00 H new ATOM 639 N ASP A 43 5.017 -6.131 -4.132 1.00 0.00 N ATOM 640 CA ASP A 43 3.750 -6.801 -3.862 1.00 0.00 C ATOM 641 C ASP A 43 3.806 -7.555 -2.536 1.00 0.00 C ATOM 642 O ASP A 43 3.208 -8.620 -2.391 1.00 0.00 O ATOM 643 CB ASP A 43 3.406 -7.766 -4.997 1.00 0.00 C ATOM 644 CG ASP A 43 1.918 -8.038 -5.096 1.00 0.00 C ATOM 645 OD1 ASP A 43 1.250 -8.071 -4.041 1.00 0.00 O ATOM 646 OD2 ASP A 43 1.421 -8.219 -6.227 1.00 0.00 O ATOM 0 H ASP A 43 5.736 -6.734 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 43 2.972 -6.040 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.760 -7.352 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.935 -8.707 -4.843 1.00 0.00 H new ATOM 651 N GLY A 44 4.530 -6.994 -1.572 1.00 0.00 N ATOM 652 CA GLY A 44 4.652 -7.627 -0.272 1.00 0.00 C ATOM 653 C GLY A 44 4.976 -9.104 -0.375 1.00 0.00 C ATOM 654 O GLY A 44 5.218 -9.619 -1.467 1.00 0.00 O ATOM 0 H GLY A 44 5.034 -6.113 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.432 -7.126 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.720 -7.500 0.279 1.00 0.00 H new ATOM 714 N TRP A 49 -1.430 -8.802 0.980 1.00 0.00 N ATOM 715 CA TRP A 49 -0.640 -7.702 1.521 1.00 0.00 C ATOM 716 C TRP A 49 0.338 -7.171 0.479 1.00 0.00 C ATOM 717 O TRP A 49 0.768 -7.902 -0.413 1.00 0.00 O ATOM 718 CB TRP A 49 0.121 -8.158 2.767 1.00 0.00 C ATOM 719 CG TRP A 49 -0.776 -8.632 3.870 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.520 -9.778 3.886 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.025 -7.973 5.116 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.216 -9.870 5.067 1.00 0.00 N ATOM 723 CE2 TRP A 49 -1.929 -8.776 5.839 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.570 -6.784 5.693 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.385 -8.425 7.107 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.024 -6.438 6.951 1.00 0.00 C ATOM 727 CH2 TRP A 49 -1.924 -7.256 7.647 1.00 0.00 C ATOM 0 HA TRP A 49 -1.322 -6.898 1.795 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.804 -8.962 2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.731 -7.333 3.134 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.556 -10.505 3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.845 -10.630 5.327 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.124 -6.147 5.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.079 -9.054 7.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.679 -5.521 7.406 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.260 -6.958 8.629 1.00 0.00 H new ATOM 738 N VAL A 50 0.688 -5.894 0.598 1.00 0.00 N ATOM 739 CA VAL A 50 1.617 -5.265 -0.334 1.00 0.00 C ATOM 740 C VAL A 50 2.655 -4.429 0.406 1.00 0.00 C ATOM 741 O VAL A 50 2.488 -4.110 1.583 1.00 0.00 O ATOM 742 CB VAL A 50 0.878 -4.369 -1.345 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.096 -5.192 -2.175 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.157 -3.238 -0.628 1.00 0.00 C ATOM 0 H VAL A 50 0.342 -5.275 1.331 1.00 0.00 H new ATOM 0 HA VAL A 50 2.119 -6.069 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 50 1.613 -3.930 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.609 -4.542 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.450 -5.963 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.828 -5.661 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.360 -2.615 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.568 -3.654 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.881 -2.633 -0.083 1.00 0.00 H new ATOM 754 N LYS A 51 3.728 -4.075 -0.293 1.00 0.00 N ATOM 755 CA LYS A 51 4.795 -3.273 0.296 1.00 0.00 C ATOM 756 C LYS A 51 4.730 -1.833 -0.201 1.00 0.00 C ATOM 757 O LYS A 51 4.875 -1.571 -1.395 1.00 0.00 O ATOM 758 CB LYS A 51 6.160 -3.878 -0.039 1.00 0.00 C ATOM 759 CG LYS A 51 7.233 -3.564 0.988 1.00 0.00 C ATOM 760 CD LYS A 51 8.550 -4.238 0.643 1.00 0.00 C ATOM 761 CE LYS A 51 9.344 -4.584 1.893 1.00 0.00 C ATOM 762 NZ LYS A 51 9.022 -5.948 2.395 1.00 0.00 N ATOM 0 H LYS A 51 3.882 -4.331 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 51 4.660 -3.272 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.057 -4.960 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.482 -3.510 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.379 -2.485 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.902 -3.893 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.356 -5.145 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.141 -3.580 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.410 -4.520 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.133 -3.851 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.392 -6.059 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.991 -6.081 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.458 -6.659 1.774 1.00 0.00 H new ATOM 776 N ALA A 52 4.512 -0.902 0.723 1.00 0.00 N ATOM 777 CA ALA A 52 4.432 0.512 0.378 1.00 0.00 C ATOM 778 C ALA A 52 5.194 1.366 1.386 1.00 0.00 C ATOM 779 O ALA A 52 5.216 1.064 2.579 1.00 0.00 O ATOM 780 CB ALA A 52 2.978 0.954 0.300 1.00 0.00 C ATOM 0 H ALA A 52 4.388 -1.102 1.715 1.00 0.00 H new ATOM 0 HA ALA A 52 4.895 0.650 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.933 2.012 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.461 0.372 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.497 0.795 1.265 1.00 0.00 H new ATOM 786 N ARG A 53 5.817 2.434 0.898 1.00 0.00 N ATOM 787 CA ARG A 53 6.582 3.331 1.756 1.00 0.00 C ATOM 788 C ARG A 53 5.868 4.670 1.915 1.00 0.00 C ATOM 789 O ARG A 53 5.476 5.296 0.932 1.00 0.00 O ATOM 790 CB ARG A 53 7.982 3.552 1.180 1.00 0.00 C ATOM 791 CG ARG A 53 8.964 4.145 2.177 1.00 0.00 C ATOM 792 CD ARG A 53 10.052 4.945 1.479 1.00 0.00 C ATOM 793 NE ARG A 53 9.677 6.347 1.309 1.00 0.00 N ATOM 794 CZ ARG A 53 10.210 7.144 0.390 1.00 0.00 C ATOM 795 NH1 ARG A 53 11.136 6.680 -0.438 1.00 0.00 N ATOM 796 NH2 ARG A 53 9.817 8.408 0.297 1.00 0.00 N ATOM 0 H ARG A 53 5.807 2.699 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 53 6.670 2.867 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.372 2.600 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.910 4.213 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.430 4.788 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.418 3.345 2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.974 4.884 2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.257 4.504 0.504 1.00 0.00 H new ATOM 0 HE ARG A 53 8.967 6.735 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.441 5.709 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.544 7.294 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.105 8.769 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.227 9.019 -0.409 1.00 0.00 H new ATOM 810 N ASN A 54 5.705 5.103 3.161 1.00 0.00 N ATOM 811 CA ASN A 54 5.037 6.368 3.450 1.00 0.00 C ATOM 812 C ASN A 54 6.012 7.535 3.334 1.00 0.00 C ATOM 813 O ASN A 54 7.165 7.360 2.940 1.00 0.00 O ATOM 814 CB ASN A 54 4.425 6.337 4.851 1.00 0.00 C ATOM 815 CG ASN A 54 5.302 5.606 5.850 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.492 5.400 5.613 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.715 5.211 6.974 1.00 0.00 N ATOM 0 H ASN A 54 6.026 4.597 3.987 1.00 0.00 H new ATOM 0 HA ASN A 54 4.242 6.507 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.261 7.358 5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.449 5.854 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.254 4.715 7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.725 5.404 7.128 1.00 0.00 H new ATOM 824 N LYS A 55 5.541 8.728 3.681 1.00 0.00 N ATOM 825 CA LYS A 55 6.370 9.926 3.619 1.00 0.00 C ATOM 826 C LYS A 55 7.598 9.786 4.513 1.00 0.00 C ATOM 827 O LYS A 55 8.723 10.044 4.085 1.00 0.00 O ATOM 828 CB LYS A 55 5.559 11.155 4.038 1.00 0.00 C ATOM 829 CG LYS A 55 4.982 11.054 5.440 1.00 0.00 C ATOM 830 CD LYS A 55 4.162 12.282 5.795 1.00 0.00 C ATOM 831 CE LYS A 55 3.646 12.214 7.224 1.00 0.00 C ATOM 832 NZ LYS A 55 4.642 12.739 8.199 1.00 0.00 N ATOM 0 H LYS A 55 4.589 8.891 4.008 1.00 0.00 H new ATOM 0 HA LYS A 55 6.705 10.052 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.196 12.038 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.745 11.302 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.357 10.164 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.792 10.935 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.772 13.177 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.321 12.370 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.722 12.787 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.403 11.181 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.253 12.675 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.515 12.176 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.855 13.732 7.977 1.00 0.00 H new ATOM 846 N VAL A 56 7.375 9.372 5.757 1.00 0.00 N ATOM 847 CA VAL A 56 8.463 9.194 6.710 1.00 0.00 C ATOM 848 C VAL A 56 9.516 8.233 6.169 1.00 0.00 C ATOM 849 O VAL A 56 10.687 8.307 6.539 1.00 0.00 O ATOM 850 CB VAL A 56 7.946 8.664 8.060 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.083 9.711 8.750 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.172 7.370 7.863 1.00 0.00 C ATOM 0 H VAL A 56 6.450 9.154 6.128 1.00 0.00 H new ATOM 0 HA VAL A 56 8.914 10.175 6.862 1.00 0.00 H new ATOM 0 HB VAL A 56 8.803 8.454 8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.727 9.319 9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.673 10.610 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.230 9.955 8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.814 7.010 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.322 7.551 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.824 6.620 7.415 1.00 0.00 H new ATOM 862 N GLY A 57 9.090 7.332 5.290 1.00 0.00 N ATOM 863 CA GLY A 57 10.009 6.369 4.711 1.00 0.00 C ATOM 864 C GLY A 57 9.748 4.956 5.194 1.00 0.00 C ATOM 865 O GLY A 57 10.299 3.997 4.654 1.00 0.00 O ATOM 0 H GLY A 57 8.125 7.251 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.926 6.400 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.032 6.652 4.960 1.00 0.00 H new ATOM 869 N GLN A 58 8.907 4.827 6.215 1.00 0.00 N ATOM 870 CA GLN A 58 8.576 3.521 6.772 1.00 0.00 C ATOM 871 C GLN A 58 7.790 2.684 5.768 1.00 0.00 C ATOM 872 O GLN A 58 6.663 3.025 5.408 1.00 0.00 O ATOM 873 CB GLN A 58 7.770 3.682 8.062 1.00 0.00 C ATOM 874 CG GLN A 58 8.632 3.886 9.297 1.00 0.00 C ATOM 875 CD GLN A 58 7.883 3.606 10.585 1.00 0.00 C ATOM 876 OE1 GLN A 58 7.006 2.743 10.631 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.225 4.337 11.640 1.00 0.00 N ATOM 0 H GLN A 58 8.442 5.611 6.673 1.00 0.00 H new ATOM 0 HA GLN A 58 9.509 3.004 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.096 4.532 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.149 2.798 8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.503 3.234 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.002 4.911 9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.958 5.042 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.755 4.194 12.534 1.00 0.00 H new ATOM 886 N VAL A 59 8.392 1.587 5.319 1.00 0.00 N ATOM 887 CA VAL A 59 7.748 0.701 4.357 1.00 0.00 C ATOM 888 C VAL A 59 7.574 -0.701 4.932 1.00 0.00 C ATOM 889 O VAL A 59 8.538 -1.330 5.364 1.00 0.00 O ATOM 890 CB VAL A 59 8.556 0.610 3.049 1.00 0.00 C ATOM 891 CG1 VAL A 59 10.019 0.313 3.344 1.00 0.00 C ATOM 892 CG2 VAL A 59 7.964 -0.447 2.130 1.00 0.00 C ATOM 0 H VAL A 59 9.325 1.291 5.606 1.00 0.00 H new ATOM 0 HA VAL A 59 6.768 1.127 4.141 1.00 0.00 H new ATOM 0 HB VAL A 59 8.501 1.573 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.574 0.252 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.435 1.109 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.098 -0.636 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.547 -0.498 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.987 -1.416 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.933 -0.186 1.892 1.00 0.00 H new ATOM 902 N GLY A 60 6.335 -1.184 4.933 1.00 0.00 N ATOM 903 CA GLY A 60 6.056 -2.508 5.457 1.00 0.00 C ATOM 904 C GLY A 60 4.929 -3.199 4.716 1.00 0.00 C ATOM 905 O GLY A 60 4.569 -2.801 3.608 1.00 0.00 O ATOM 0 H GLY A 60 5.520 -0.682 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.957 -3.118 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.798 -2.430 6.513 1.00 0.00 H new ATOM 909 N TYR A 61 4.371 -4.238 5.327 1.00 0.00 N ATOM 910 CA TYR A 61 3.280 -4.989 4.716 1.00 0.00 C ATOM 911 C TYR A 61 1.927 -4.433 5.148 1.00 0.00 C ATOM 912 O TYR A 61 1.704 -4.154 6.326 1.00 0.00 O ATOM 913 CB TYR A 61 3.379 -6.469 5.091 1.00 0.00 C ATOM 914 CG TYR A 61 4.646 -7.134 4.602 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.130 -6.896 3.321 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.361 -7.999 5.422 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.286 -7.502 2.871 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.519 -8.608 4.980 1.00 0.00 C ATOM 919 CZ TYR A 61 6.978 -8.357 3.704 1.00 0.00 C ATOM 920 OH TYR A 61 8.131 -8.962 3.259 1.00 0.00 O ATOM 0 H TYR A 61 4.656 -4.580 6.245 1.00 0.00 H new ATOM 0 HA TYR A 61 3.365 -4.889 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.323 -6.565 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.519 -6.998 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.593 -6.226 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.005 -8.198 6.422 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.647 -7.308 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.062 -9.277 5.630 1.00 0.00 H new ATOM 0 HH TYR A 61 8.496 -9.532 3.968 1.00 0.00 H new ATOM 930 N VAL A 62 1.025 -4.275 4.185 1.00 0.00 N ATOM 931 CA VAL A 62 -0.308 -3.754 4.464 1.00 0.00 C ATOM 932 C VAL A 62 -1.350 -4.396 3.555 1.00 0.00 C ATOM 933 O VAL A 62 -1.058 -4.822 2.438 1.00 0.00 O ATOM 934 CB VAL A 62 -0.362 -2.225 4.288 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.535 -1.538 5.306 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.034 -1.838 2.870 1.00 0.00 C ATOM 0 H VAL A 62 1.193 -4.500 3.204 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.533 -4.001 5.502 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.386 -1.893 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.484 -0.458 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.202 -1.790 6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.563 -1.873 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.010 -0.754 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.049 -2.182 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.653 -2.300 2.161 1.00 0.00 H new ATOM 946 N PRO A 63 -2.598 -4.468 4.043 1.00 0.00 N ATOM 947 CA PRO A 63 -3.710 -5.056 3.291 1.00 0.00 C ATOM 948 C PRO A 63 -4.121 -4.198 2.099 1.00 0.00 C ATOM 949 O PRO A 63 -4.589 -3.072 2.266 1.00 0.00 O ATOM 950 CB PRO A 63 -4.841 -5.118 4.320 1.00 0.00 C ATOM 951 CG PRO A 63 -4.519 -4.045 5.302 1.00 0.00 C ATOM 952 CD PRO A 63 -3.018 -3.980 5.368 1.00 0.00 C ATOM 0 HA PRO A 63 -3.448 -6.025 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.811 -4.949 3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.885 -6.095 4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.937 -3.089 4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.943 -4.271 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.667 -2.965 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.623 -4.604 6.170 1.00 0.00 H new ATOM 960 N GLU A 64 -3.943 -4.738 0.897 1.00 0.00 N ATOM 961 CA GLU A 64 -4.296 -4.021 -0.322 1.00 0.00 C ATOM 962 C GLU A 64 -5.744 -3.542 -0.272 1.00 0.00 C ATOM 963 O GLU A 64 -6.035 -2.378 -0.546 1.00 0.00 O ATOM 964 CB GLU A 64 -4.085 -4.915 -1.546 1.00 0.00 C ATOM 965 CG GLU A 64 -4.284 -4.193 -2.868 1.00 0.00 C ATOM 966 CD GLU A 64 -5.729 -4.203 -3.326 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.234 -5.292 -3.670 1.00 0.00 O ATOM 968 OE2 GLU A 64 -6.355 -3.123 -3.341 1.00 0.00 O ATOM 0 H GLU A 64 -3.557 -5.669 0.742 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.646 -3.150 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.076 -5.327 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.775 -5.757 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.945 -3.162 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.662 -4.661 -3.631 1.00 0.00 H new ATOM 975 N LYS A 65 -6.649 -4.449 0.080 1.00 0.00 N ATOM 976 CA LYS A 65 -8.067 -4.122 0.167 1.00 0.00 C ATOM 977 C LYS A 65 -8.269 -2.729 0.755 1.00 0.00 C ATOM 978 O LYS A 65 -9.109 -1.962 0.284 1.00 0.00 O ATOM 979 CB LYS A 65 -8.799 -5.159 1.023 1.00 0.00 C ATOM 980 CG LYS A 65 -8.309 -5.218 2.459 1.00 0.00 C ATOM 981 CD LYS A 65 -8.465 -6.612 3.044 1.00 0.00 C ATOM 982 CE LYS A 65 -9.926 -6.950 3.297 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.447 -6.278 4.519 1.00 0.00 N ATOM 0 H LYS A 65 -6.425 -5.417 0.310 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.480 -4.135 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.865 -4.932 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.681 -6.142 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.261 -4.920 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.867 -4.504 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.034 -7.344 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.908 -6.680 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.523 -6.650 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.036 -8.029 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.436 -6.560 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.873 -6.557 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.397 -5.247 4.396 1.00 0.00 H new ATOM 997 N TYR A 66 -7.493 -2.408 1.785 1.00 0.00 N ATOM 998 CA TYR A 66 -7.588 -1.108 2.437 1.00 0.00 C ATOM 999 C TYR A 66 -7.148 0.008 1.494 1.00 0.00 C ATOM 1000 O TYR A 66 -7.725 1.096 1.487 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.733 -1.086 3.705 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.407 -1.720 4.900 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.663 -3.086 4.935 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.788 -0.955 5.995 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.279 -3.670 6.025 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.403 -1.530 7.090 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.647 -2.888 7.100 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.261 -3.465 8.188 1.00 0.00 O ATOM 0 H TYR A 66 -6.792 -3.031 2.186 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.631 -0.941 2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.795 -1.605 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.481 -0.053 3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.375 -3.701 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.600 0.108 5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.471 -4.733 6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.691 -0.920 7.933 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.454 -2.776 8.858 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.121 -0.270 0.698 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.602 0.709 -0.251 1.00 0.00 C ATOM 1020 C LEU A 67 -6.517 0.828 -1.465 1.00 0.00 C ATOM 1021 O LEU A 67 -7.261 -0.098 -1.786 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.192 0.317 -0.697 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.136 0.239 0.406 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.801 -0.215 -0.163 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.991 1.585 1.102 1.00 0.00 C ATOM 0 H LEU A 67 -5.631 -1.165 0.691 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.563 1.678 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.245 -0.653 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.856 1.036 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.462 -0.495 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.062 -0.264 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.914 -1.201 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.468 0.494 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.235 1.511 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.689 2.339 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.945 1.870 1.545 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.454 1.974 -2.137 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.276 2.213 -3.317 1.00 0.00 C ATOM 1039 C GLN A 68 -6.407 2.509 -4.535 1.00 0.00 C ATOM 1040 O GLN A 68 -6.076 3.662 -4.809 1.00 0.00 O ATOM 1041 CB GLN A 68 -8.237 3.376 -3.067 1.00 0.00 C ATOM 1042 CG GLN A 68 -9.374 3.453 -4.074 1.00 0.00 C ATOM 1043 CD GLN A 68 -10.344 2.295 -3.949 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -11.125 2.224 -3.000 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -10.299 1.379 -4.909 1.00 0.00 N ATOM 0 H GLN A 68 -5.843 2.750 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.853 1.310 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.656 3.281 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.677 4.311 -3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.913 4.390 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.961 3.468 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.636 1.478 -5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.928 0.577 -4.878 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.040 1.459 -5.262 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.208 1.606 -6.451 1.00 0.00 C ATOM 1056 C PHE A 69 -5.927 2.422 -7.521 1.00 0.00 C ATOM 1057 O PHE A 69 -7.155 2.506 -7.553 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.832 0.232 -7.009 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.711 -0.433 -6.262 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.829 -0.704 -4.908 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.540 -0.786 -6.913 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.800 -1.316 -4.217 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.508 -1.398 -6.227 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.637 -1.662 -4.878 1.00 0.00 C ATOM 0 H PHE A 69 -6.305 0.497 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.299 2.136 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.709 -0.414 -6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.547 0.339 -8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.735 -0.434 -4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.432 -0.581 -7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.905 -1.523 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.601 -1.670 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.830 -2.138 -4.340 1.00 0.00 H new ATOM 1074 N PRO A 70 -5.145 3.040 -8.418 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.684 3.861 -9.506 1.00 0.00 C ATOM 1076 C PRO A 70 -6.403 3.027 -10.561 1.00 0.00 C ATOM 1077 O PRO A 70 -5.832 2.695 -11.601 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.439 4.521 -10.104 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.322 3.593 -9.769 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.673 2.983 -8.441 1.00 0.00 C ATOM 0 HA PRO A 70 -6.430 4.571 -9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.538 4.649 -11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.273 5.511 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.211 2.825 -10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.374 4.128 -9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.309 1.959 -8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.236 3.542 -7.614 1.00 0.00 H new