USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 763 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 SER OG : rot 160:sc= 0.164 USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00131 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -102:sc= -1.86! USER MOD Single : A 41 SER OG : rot -18:sc= -0.936 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -150:sc= -1.9! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0246 K(o=-0.025,f=-2.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.15) USER MOD Single : A 59 HIS : no HD1:sc= -0.0248 K(o=-0.025,f=-0.63) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 70:sc= -0.31 USER MOD Single : A 74 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 94 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 98 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 103 CYS SG : rot -55:sc= -0.703 USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -0.790 -3.269 -14.662 1.00 0.00 N ATOM 182 CA SER A 12 -0.475 -3.445 -13.232 1.00 0.00 C ATOM 183 C SER A 12 -1.334 -2.472 -12.402 1.00 0.00 C ATOM 184 O SER A 12 -2.113 -1.673 -12.945 1.00 0.00 O ATOM 185 CB SER A 12 1.044 -3.208 -12.934 1.00 0.00 C ATOM 186 OG SER A 12 1.393 -3.501 -11.585 1.00 0.00 O ATOM 0 HA SER A 12 -0.702 -4.475 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.642 -3.828 -13.602 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.295 -2.170 -13.152 1.00 0.00 H new ATOM 0 HG SER A 12 2.359 -3.651 -11.522 1.00 0.00 H new ATOM 192 N TRP A 13 -1.200 -2.577 -11.084 1.00 0.00 N ATOM 193 CA TRP A 13 -1.697 -1.584 -10.108 1.00 0.00 C ATOM 194 C TRP A 13 -0.565 -0.608 -9.754 1.00 0.00 C ATOM 195 O TRP A 13 -0.800 0.506 -9.281 1.00 0.00 O ATOM 196 CB TRP A 13 -2.218 -2.297 -8.830 1.00 0.00 C ATOM 197 CG TRP A 13 -1.461 -3.544 -8.459 1.00 0.00 C ATOM 198 CD1 TRP A 13 -1.811 -4.813 -8.788 1.00 0.00 C ATOM 199 CD2 TRP A 13 -0.229 -3.651 -7.744 1.00 0.00 C ATOM 200 NE1 TRP A 13 -0.902 -5.701 -8.311 1.00 0.00 N ATOM 201 CE2 TRP A 13 0.081 -5.017 -7.668 1.00 0.00 C ATOM 202 CE3 TRP A 13 0.628 -2.736 -7.147 1.00 0.00 C ATOM 203 CZ2 TRP A 13 1.224 -5.484 -7.045 1.00 0.00 C ATOM 204 CZ3 TRP A 13 1.765 -3.200 -6.529 1.00 0.00 C ATOM 205 CH2 TRP A 13 2.049 -4.565 -6.482 1.00 0.00 C ATOM 0 H TRP A 13 -0.733 -3.370 -10.643 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.525 -1.028 -10.549 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.173 -1.598 -7.995 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.267 -2.554 -8.975 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.692 -5.080 -9.352 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.949 -6.714 -8.417 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.405 -1.679 -7.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.451 -6.539 -7.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.448 -2.498 -6.074 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.948 -4.899 -5.985 1.00 0.00 H new ATOM 216 N TYR A 14 0.673 -1.078 -9.962 1.00 0.00 N ATOM 217 CA TYR A 14 1.864 -0.254 -9.812 1.00 0.00 C ATOM 218 C TYR A 14 1.924 0.748 -10.974 1.00 0.00 C ATOM 219 O TYR A 14 2.127 0.353 -12.128 1.00 0.00 O ATOM 220 CB TYR A 14 3.152 -1.118 -9.741 1.00 0.00 C ATOM 221 CG TYR A 14 4.441 -0.265 -9.693 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.811 0.424 -8.533 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.252 -0.110 -10.825 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.934 1.229 -8.507 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.374 0.683 -10.797 1.00 0.00 C ATOM 226 CZ TYR A 14 6.710 1.352 -9.641 1.00 0.00 C ATOM 227 OH TYR A 14 7.821 2.160 -9.630 1.00 0.00 O ATOM 0 H TYR A 14 0.869 -2.040 -10.238 1.00 0.00 H new ATOM 0 HA TYR A 14 1.805 0.290 -8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.109 -1.754 -8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.190 -1.778 -10.608 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.208 0.325 -7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.990 -0.624 -11.738 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.202 1.758 -7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.990 0.781 -11.679 1.00 0.00 H new ATOM 0 HH TYR A 14 8.254 2.132 -10.509 1.00 0.00 H new ATOM 237 N HIS A 15 1.687 2.029 -10.668 1.00 0.00 N ATOM 238 CA HIS A 15 1.773 3.133 -11.630 1.00 0.00 C ATOM 239 C HIS A 15 2.679 4.206 -11.016 1.00 0.00 C ATOM 240 O HIS A 15 2.369 4.699 -9.928 1.00 0.00 O ATOM 241 CB HIS A 15 0.357 3.724 -11.905 1.00 0.00 C ATOM 242 CG HIS A 15 -0.652 2.719 -12.397 1.00 0.00 C ATOM 243 ND1 HIS A 15 -0.624 2.184 -13.665 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.718 2.155 -11.780 1.00 0.00 C ATOM 245 CE1 HIS A 15 -1.623 1.337 -13.806 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.302 1.298 -12.676 1.00 0.00 N ATOM 0 H HIS A 15 1.426 2.332 -9.730 1.00 0.00 H new ATOM 0 HA HIS A 15 2.178 2.781 -12.579 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.018 4.178 -10.988 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.446 4.522 -12.642 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.047 2.345 -10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.848 0.770 -14.697 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.126 0.724 -12.498 1.00 0.00 H new ATOM 255 N ARG A 16 3.801 4.549 -11.687 1.00 0.00 N ATOM 256 CA ARG A 16 4.773 5.539 -11.166 1.00 0.00 C ATOM 257 C ARG A 16 4.097 6.909 -10.938 1.00 0.00 C ATOM 258 O ARG A 16 3.840 7.294 -9.787 1.00 0.00 O ATOM 259 CB ARG A 16 6.005 5.683 -12.108 1.00 0.00 C ATOM 260 CG ARG A 16 7.023 6.765 -11.656 1.00 0.00 C ATOM 261 CD ARG A 16 8.220 6.935 -12.606 1.00 0.00 C ATOM 262 NE ARG A 16 9.045 5.714 -12.684 1.00 0.00 N ATOM 263 CZ ARG A 16 10.379 5.651 -12.504 1.00 0.00 C ATOM 264 NH1 ARG A 16 11.084 6.739 -12.198 1.00 0.00 N ATOM 265 NH2 ARG A 16 10.999 4.482 -12.626 1.00 0.00 N ATOM 0 H ARG A 16 4.057 4.155 -12.592 1.00 0.00 H new ATOM 0 HA ARG A 16 5.132 5.169 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.516 4.722 -12.171 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.656 5.924 -13.112 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.506 7.720 -11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.394 6.508 -10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.858 7.192 -13.602 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.836 7.767 -12.266 1.00 0.00 H new ATOM 0 HE ARG A 16 8.563 4.840 -12.893 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.615 7.639 -12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.093 6.672 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.465 3.643 -12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.008 4.424 -12.492 1.00 0.00 H new ATOM 279 N ASP A 17 3.783 7.626 -12.031 1.00 0.00 N ATOM 280 CA ASP A 17 3.236 8.993 -11.983 1.00 0.00 C ATOM 281 C ASP A 17 1.710 8.946 -11.820 1.00 0.00 C ATOM 282 O ASP A 17 0.959 9.450 -12.669 1.00 0.00 O ATOM 283 CB ASP A 17 3.628 9.745 -13.291 1.00 0.00 C ATOM 284 CG ASP A 17 5.124 9.629 -13.624 1.00 0.00 C ATOM 285 OD1 ASP A 17 5.511 8.651 -14.306 1.00 0.00 O ATOM 286 OD2 ASP A 17 5.919 10.505 -13.212 1.00 0.00 O ATOM 0 H ASP A 17 3.903 7.270 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 17 3.651 9.525 -11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.045 9.347 -14.121 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.364 10.798 -13.192 1.00 0.00 H new ATOM 291 N LEU A 18 1.249 8.318 -10.730 1.00 0.00 N ATOM 292 CA LEU A 18 -0.184 8.126 -10.470 1.00 0.00 C ATOM 293 C LEU A 18 -0.744 9.340 -9.707 1.00 0.00 C ATOM 294 O LEU A 18 -1.659 10.013 -10.204 1.00 0.00 O ATOM 295 CB LEU A 18 -0.406 6.795 -9.686 1.00 0.00 C ATOM 296 CG LEU A 18 -1.893 6.339 -9.477 1.00 0.00 C ATOM 297 CD1 LEU A 18 -2.658 6.263 -10.821 1.00 0.00 C ATOM 298 CD2 LEU A 18 -1.963 4.994 -8.707 1.00 0.00 C ATOM 0 H LEU A 18 1.855 7.931 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.724 8.050 -11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.123 5.999 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.060 6.896 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.387 7.095 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.684 5.944 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.662 7.245 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.167 5.546 -11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.005 4.703 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.439 4.223 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.494 5.109 -7.730 1.00 0.00 H new ATOM 310 N SER A 19 -0.176 9.560 -8.491 1.00 0.00 N ATOM 311 CA SER A 19 -0.510 10.647 -7.524 1.00 0.00 C ATOM 312 C SER A 19 -1.544 10.098 -6.538 1.00 0.00 C ATOM 313 O SER A 19 -2.370 9.273 -6.928 1.00 0.00 O ATOM 314 CB SER A 19 -1.012 11.978 -8.145 1.00 0.00 C ATOM 315 OG SER A 19 -0.092 12.486 -9.091 1.00 0.00 O ATOM 0 H SER A 19 0.565 8.954 -8.138 1.00 0.00 H new ATOM 0 HA SER A 19 0.425 10.924 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.977 11.816 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.168 12.713 -7.356 1.00 0.00 H new ATOM 0 HG SER A 19 -0.437 13.323 -9.466 1.00 0.00 H new ATOM 321 N ARG A 20 -1.484 10.544 -5.266 1.00 0.00 N ATOM 322 CA ARG A 20 -2.384 10.058 -4.195 1.00 0.00 C ATOM 323 C ARG A 20 -3.864 10.268 -4.557 1.00 0.00 C ATOM 324 O ARG A 20 -4.657 9.351 -4.409 1.00 0.00 O ATOM 325 CB ARG A 20 -2.070 10.749 -2.840 1.00 0.00 C ATOM 326 CG ARG A 20 -3.053 10.380 -1.697 1.00 0.00 C ATOM 327 CD ARG A 20 -2.813 11.147 -0.390 1.00 0.00 C ATOM 328 NE ARG A 20 -3.932 10.973 0.562 1.00 0.00 N ATOM 329 CZ ARG A 20 -3.859 11.164 1.888 1.00 0.00 C ATOM 330 NH1 ARG A 20 -2.702 11.438 2.477 1.00 0.00 N ATOM 331 NH2 ARG A 20 -4.944 11.066 2.629 1.00 0.00 N ATOM 0 H ARG A 20 -0.815 11.247 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.205 8.988 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.058 10.483 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.086 11.829 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.072 10.569 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.976 9.311 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.887 10.801 0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.683 12.207 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.832 10.684 0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.850 11.506 1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.665 11.580 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.840 10.845 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.888 11.211 3.637 1.00 0.00 H new ATOM 345 N ALA A 21 -4.192 11.480 -5.039 1.00 0.00 N ATOM 346 CA ALA A 21 -5.563 11.860 -5.450 1.00 0.00 C ATOM 347 C ALA A 21 -6.163 10.838 -6.435 1.00 0.00 C ATOM 348 O ALA A 21 -7.275 10.352 -6.232 1.00 0.00 O ATOM 349 CB ALA A 21 -5.564 13.270 -6.059 1.00 0.00 C ATOM 0 H ALA A 21 -3.512 12.231 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.192 11.862 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.578 13.537 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.202 13.986 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.912 13.290 -6.932 1.00 0.00 H new ATOM 355 N ALA A 22 -5.375 10.478 -7.463 1.00 0.00 N ATOM 356 CA ALA A 22 -5.779 9.467 -8.467 1.00 0.00 C ATOM 357 C ALA A 22 -5.836 8.056 -7.854 1.00 0.00 C ATOM 358 O ALA A 22 -6.716 7.270 -8.186 1.00 0.00 O ATOM 359 CB ALA A 22 -4.816 9.479 -9.663 1.00 0.00 C ATOM 0 H ALA A 22 -4.448 10.873 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.779 9.729 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.129 8.730 -10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.827 10.464 -10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.807 9.252 -9.320 1.00 0.00 H new ATOM 365 N ALA A 23 -4.880 7.765 -6.959 1.00 0.00 N ATOM 366 CA ALA A 23 -4.730 6.448 -6.301 1.00 0.00 C ATOM 367 C ALA A 23 -5.968 6.075 -5.459 1.00 0.00 C ATOM 368 O ALA A 23 -6.625 5.059 -5.718 1.00 0.00 O ATOM 369 CB ALA A 23 -3.461 6.460 -5.434 1.00 0.00 C ATOM 0 H ALA A 23 -4.178 8.443 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.639 5.685 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.344 5.492 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.593 6.656 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.545 7.240 -4.677 1.00 0.00 H new ATOM 375 N GLU A 24 -6.262 6.917 -4.453 1.00 0.00 N ATOM 376 CA GLU A 24 -7.452 6.792 -3.584 1.00 0.00 C ATOM 377 C GLU A 24 -8.774 6.846 -4.384 1.00 0.00 C ATOM 378 O GLU A 24 -9.774 6.266 -3.965 1.00 0.00 O ATOM 379 CB GLU A 24 -7.439 7.917 -2.512 1.00 0.00 C ATOM 380 CG GLU A 24 -7.494 9.346 -3.092 1.00 0.00 C ATOM 381 CD GLU A 24 -7.491 10.450 -2.032 1.00 0.00 C ATOM 382 OE1 GLU A 24 -6.406 10.789 -1.508 1.00 0.00 O ATOM 383 OE2 GLU A 24 -8.577 10.988 -1.715 1.00 0.00 O ATOM 0 H GLU A 24 -5.674 7.715 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.403 5.815 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.288 7.776 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.537 7.817 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.641 9.491 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.392 9.445 -3.702 1.00 0.00 H new ATOM 390 N GLU A 25 -8.756 7.571 -5.521 1.00 0.00 N ATOM 391 CA GLU A 25 -9.924 7.692 -6.423 1.00 0.00 C ATOM 392 C GLU A 25 -10.219 6.317 -7.076 1.00 0.00 C ATOM 393 O GLU A 25 -11.371 5.853 -7.086 1.00 0.00 O ATOM 394 CB GLU A 25 -9.664 8.798 -7.503 1.00 0.00 C ATOM 395 CG GLU A 25 -10.878 9.671 -7.891 1.00 0.00 C ATOM 396 CD GLU A 25 -12.049 8.884 -8.495 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.972 8.512 -9.689 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.041 8.623 -7.780 1.00 0.00 O ATOM 0 H GLU A 25 -7.936 8.088 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.800 7.993 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.873 9.454 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.287 8.315 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.229 10.201 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.554 10.427 -8.607 1.00 0.00 H new ATOM 405 N LEU A 26 -9.145 5.676 -7.594 1.00 0.00 N ATOM 406 CA LEU A 26 -9.208 4.335 -8.230 1.00 0.00 C ATOM 407 C LEU A 26 -9.732 3.276 -7.250 1.00 0.00 C ATOM 408 O LEU A 26 -10.462 2.376 -7.646 1.00 0.00 O ATOM 409 CB LEU A 26 -7.816 3.902 -8.776 1.00 0.00 C ATOM 410 CG LEU A 26 -7.245 4.733 -9.970 1.00 0.00 C ATOM 411 CD1 LEU A 26 -5.819 4.269 -10.341 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.193 4.698 -11.189 1.00 0.00 C ATOM 0 H LEU A 26 -8.206 6.074 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.903 4.411 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.099 3.946 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.881 2.859 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.177 5.772 -9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.448 4.865 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.160 4.396 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.842 3.218 -10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.764 5.286 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.324 3.667 -11.518 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.160 5.116 -10.910 1.00 0.00 H new ATOM 424 N LEU A 27 -9.369 3.400 -5.971 1.00 0.00 N ATOM 425 CA LEU A 27 -9.872 2.498 -4.927 1.00 0.00 C ATOM 426 C LEU A 27 -11.378 2.755 -4.701 1.00 0.00 C ATOM 427 O LEU A 27 -12.201 1.855 -4.864 1.00 0.00 O ATOM 428 CB LEU A 27 -9.090 2.708 -3.610 1.00 0.00 C ATOM 429 CG LEU A 27 -7.537 2.587 -3.695 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.876 2.942 -2.358 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.078 1.204 -4.175 1.00 0.00 C ATOM 0 H LEU A 27 -8.728 4.117 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.729 1.467 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.334 3.697 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.449 1.982 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.213 3.310 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.794 2.848 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.129 3.967 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.234 2.264 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.989 1.176 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.435 0.442 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.483 1.011 -5.168 1.00 0.00 H new ATOM 443 N ALA A 28 -11.713 4.029 -4.422 1.00 0.00 N ATOM 444 CA ALA A 28 -13.055 4.445 -3.961 1.00 0.00 C ATOM 445 C ALA A 28 -14.169 4.084 -4.965 1.00 0.00 C ATOM 446 O ALA A 28 -15.277 3.744 -4.551 1.00 0.00 O ATOM 447 CB ALA A 28 -13.053 5.949 -3.656 1.00 0.00 C ATOM 0 H ALA A 28 -11.057 4.805 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.278 3.890 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.043 6.253 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.321 6.161 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.793 6.503 -4.558 1.00 0.00 H new ATOM 453 N ARG A 29 -13.872 4.188 -6.276 1.00 0.00 N ATOM 454 CA ARG A 29 -14.809 3.773 -7.350 1.00 0.00 C ATOM 455 C ARG A 29 -14.589 2.309 -7.800 1.00 0.00 C ATOM 456 O ARG A 29 -15.503 1.492 -7.681 1.00 0.00 O ATOM 457 CB ARG A 29 -14.743 4.746 -8.557 1.00 0.00 C ATOM 458 CG ARG A 29 -15.387 6.126 -8.284 1.00 0.00 C ATOM 459 CD ARG A 29 -15.358 7.049 -9.514 1.00 0.00 C ATOM 460 NE ARG A 29 -16.110 8.308 -9.302 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.756 9.514 -9.784 1.00 0.00 C ATOM 462 NH1 ARG A 29 -14.599 9.681 -10.426 1.00 0.00 N ATOM 463 NH2 ARG A 29 -16.557 10.554 -9.590 1.00 0.00 N ATOM 0 H ARG A 29 -12.986 4.557 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.812 3.822 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.700 4.892 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.241 4.286 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.420 5.984 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.863 6.610 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.323 7.286 -9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.777 6.520 -10.370 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.964 8.257 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.970 8.889 -10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.344 10.601 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.432 10.436 -9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.298 11.472 -9.951 1.00 0.00 H new ATOM 477 N ALA A 30 -13.370 1.981 -8.292 1.00 0.00 N ATOM 478 CA ALA A 30 -13.129 0.720 -9.050 1.00 0.00 C ATOM 479 C ALA A 30 -13.127 -0.527 -8.153 1.00 0.00 C ATOM 480 O ALA A 30 -13.933 -1.446 -8.362 1.00 0.00 O ATOM 481 CB ALA A 30 -11.814 0.790 -9.842 1.00 0.00 C ATOM 0 H ALA A 30 -12.541 2.565 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.965 0.624 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.666 -0.144 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.859 1.618 -10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.983 0.946 -9.154 1.00 0.00 H new ATOM 487 N GLY A 31 -12.213 -0.567 -7.161 1.00 0.00 N ATOM 488 CA GLY A 31 -12.043 -1.735 -6.295 1.00 0.00 C ATOM 489 C GLY A 31 -12.355 -1.387 -4.855 1.00 0.00 C ATOM 490 O GLY A 31 -11.622 -0.618 -4.245 1.00 0.00 O ATOM 0 H GLY A 31 -11.582 0.205 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.698 -2.540 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.020 -2.104 -6.371 1.00 0.00 H new ATOM 494 N ARG A 32 -13.493 -1.892 -4.361 1.00 0.00 N ATOM 495 CA ARG A 32 -13.973 -1.679 -2.963 1.00 0.00 C ATOM 496 C ARG A 32 -12.942 -2.168 -1.868 1.00 0.00 C ATOM 497 O ARG A 32 -11.777 -1.770 -1.902 1.00 0.00 O ATOM 498 CB ARG A 32 -15.397 -2.300 -2.803 1.00 0.00 C ATOM 499 CG ARG A 32 -16.163 -1.846 -1.533 1.00 0.00 C ATOM 500 CD ARG A 32 -17.556 -2.494 -1.401 1.00 0.00 C ATOM 501 NE ARG A 32 -18.171 -2.203 -0.097 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.943 -1.139 0.181 1.00 0.00 C ATOM 503 NH1 ARG A 32 -19.235 -0.230 -0.744 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.407 -0.982 1.407 1.00 0.00 N ATOM 0 H ARG A 32 -14.124 -2.469 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.051 -0.607 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.991 -2.044 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.305 -3.386 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.570 -2.091 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.274 -0.762 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.204 -2.129 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.469 -3.573 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.997 -2.864 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.871 -0.331 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.824 0.568 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.178 -1.664 2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.994 -0.179 1.631 1.00 0.00 H new ATOM 518 N ASP A 33 -13.354 -2.989 -0.874 1.00 0.00 N ATOM 519 CA ASP A 33 -12.492 -3.290 0.300 1.00 0.00 C ATOM 520 C ASP A 33 -11.362 -4.260 -0.068 1.00 0.00 C ATOM 521 O ASP A 33 -11.539 -5.126 -0.938 1.00 0.00 O ATOM 522 CB ASP A 33 -13.336 -3.855 1.474 1.00 0.00 C ATOM 523 CG ASP A 33 -14.487 -2.924 1.888 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.238 -1.719 2.090 1.00 0.00 O ATOM 525 OD2 ASP A 33 -15.641 -3.387 2.005 1.00 0.00 O ATOM 0 H ASP A 33 -14.264 -3.450 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.036 -2.354 0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.745 -4.824 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.686 -4.025 2.333 1.00 0.00 H new ATOM 530 N GLY A 34 -10.210 -4.117 0.621 1.00 0.00 N ATOM 531 CA GLY A 34 -9.011 -4.913 0.339 1.00 0.00 C ATOM 532 C GLY A 34 -8.332 -4.573 -0.981 1.00 0.00 C ATOM 533 O GLY A 34 -7.535 -5.367 -1.500 1.00 0.00 O ATOM 0 H GLY A 34 -10.092 -3.449 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.296 -4.772 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.282 -5.969 0.334 1.00 0.00 H new ATOM 537 N SER A 35 -8.649 -3.397 -1.528 1.00 0.00 N ATOM 538 CA SER A 35 -8.019 -2.899 -2.752 1.00 0.00 C ATOM 539 C SER A 35 -6.662 -2.295 -2.412 1.00 0.00 C ATOM 540 O SER A 35 -6.536 -1.611 -1.393 1.00 0.00 O ATOM 541 CB SER A 35 -8.912 -1.846 -3.417 1.00 0.00 C ATOM 542 OG SER A 35 -9.218 -0.787 -2.541 1.00 0.00 O ATOM 0 H SER A 35 -9.347 -2.765 -1.136 1.00 0.00 H new ATOM 0 HA SER A 35 -7.883 -3.727 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.412 -1.452 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.836 -2.315 -3.756 1.00 0.00 H new ATOM 0 HG SER A 35 -10.129 -0.900 -2.197 1.00 0.00 H new ATOM 548 N PHE A 36 -5.651 -2.546 -3.248 1.00 0.00 N ATOM 549 CA PHE A 36 -4.318 -1.967 -3.058 1.00 0.00 C ATOM 550 C PHE A 36 -3.683 -1.641 -4.414 1.00 0.00 C ATOM 551 O PHE A 36 -3.924 -2.333 -5.416 1.00 0.00 O ATOM 552 CB PHE A 36 -3.403 -2.934 -2.254 1.00 0.00 C ATOM 553 CG PHE A 36 -2.928 -4.170 -3.033 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.788 -5.241 -3.282 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.627 -4.243 -3.537 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.361 -6.339 -4.004 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.208 -5.337 -4.260 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.071 -6.383 -4.493 1.00 0.00 C ATOM 0 H PHE A 36 -5.731 -3.149 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.425 -1.045 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.529 -2.382 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.941 -3.266 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.800 -5.211 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.940 -3.429 -3.357 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.036 -7.162 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.200 -5.374 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.738 -7.240 -5.060 1.00 0.00 H new ATOM 568 N LEU A 37 -2.885 -0.579 -4.423 1.00 0.00 N ATOM 569 CA LEU A 37 -1.999 -0.230 -5.529 1.00 0.00 C ATOM 570 C LEU A 37 -0.775 0.504 -4.966 1.00 0.00 C ATOM 571 O LEU A 37 -0.841 1.105 -3.884 1.00 0.00 O ATOM 572 CB LEU A 37 -2.776 0.583 -6.624 1.00 0.00 C ATOM 573 CG LEU A 37 -3.745 1.714 -6.137 1.00 0.00 C ATOM 574 CD1 LEU A 37 -3.005 2.932 -5.577 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.733 2.127 -7.247 1.00 0.00 C ATOM 0 H LEU A 37 -2.835 0.078 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.639 -1.126 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.042 1.034 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.356 -0.123 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.317 1.290 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.729 3.681 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.396 2.628 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.363 3.355 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.390 2.913 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.178 2.496 -8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.330 1.264 -7.542 1.00 0.00 H new ATOM 587 N VAL A 38 0.347 0.436 -5.688 1.00 0.00 N ATOM 588 CA VAL A 38 1.589 1.122 -5.317 1.00 0.00 C ATOM 589 C VAL A 38 1.888 2.179 -6.377 1.00 0.00 C ATOM 590 O VAL A 38 1.828 1.921 -7.579 1.00 0.00 O ATOM 591 CB VAL A 38 2.815 0.134 -5.136 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.145 0.900 -4.879 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.553 -0.877 -3.990 1.00 0.00 C ATOM 0 H VAL A 38 0.420 -0.100 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 38 1.446 1.588 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 38 2.919 -0.415 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.959 0.185 -4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.357 1.555 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.052 1.497 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.411 -1.542 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.400 -0.337 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.664 -1.464 -4.219 1.00 0.00 H new ATOM 603 N ARG A 39 2.172 3.381 -5.905 1.00 0.00 N ATOM 604 CA ARG A 39 2.594 4.506 -6.729 1.00 0.00 C ATOM 605 C ARG A 39 4.009 4.901 -6.316 1.00 0.00 C ATOM 606 O ARG A 39 4.525 4.443 -5.286 1.00 0.00 O ATOM 607 CB ARG A 39 1.627 5.712 -6.557 1.00 0.00 C ATOM 608 CG ARG A 39 1.360 6.115 -5.083 1.00 0.00 C ATOM 609 CD ARG A 39 0.815 7.546 -4.930 1.00 0.00 C ATOM 610 NE ARG A 39 1.807 8.546 -5.377 1.00 0.00 N ATOM 611 CZ ARG A 39 1.931 9.797 -4.909 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.180 10.229 -3.911 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.835 10.604 -5.430 1.00 0.00 N ATOM 0 H ARG A 39 2.115 3.610 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 39 2.576 4.215 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.039 6.571 -7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.676 5.470 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.649 5.414 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.286 6.024 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.101 7.653 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.554 7.729 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 39 2.457 8.259 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.493 9.608 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.288 11.183 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.436 10.276 -6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.933 11.556 -5.077 1.00 0.00 H new ATOM 627 N ASP A 40 4.631 5.754 -7.122 1.00 0.00 N ATOM 628 CA ASP A 40 5.912 6.385 -6.769 1.00 0.00 C ATOM 629 C ASP A 40 5.581 7.630 -5.933 1.00 0.00 C ATOM 630 O ASP A 40 4.669 8.396 -6.303 1.00 0.00 O ATOM 631 CB ASP A 40 6.702 6.761 -8.050 1.00 0.00 C ATOM 632 CG ASP A 40 8.200 7.079 -7.836 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.545 7.925 -6.985 1.00 0.00 O ATOM 634 OD2 ASP A 40 9.046 6.482 -8.535 1.00 0.00 O ATOM 0 H ASP A 40 4.270 6.031 -8.035 1.00 0.00 H new ATOM 0 HA ASP A 40 6.543 5.703 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.621 5.939 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.226 7.628 -8.509 1.00 0.00 H new ATOM 639 N SER A 41 6.278 7.790 -4.799 1.00 0.00 N ATOM 640 CA SER A 41 6.071 8.911 -3.869 1.00 0.00 C ATOM 641 C SER A 41 6.290 10.275 -4.564 1.00 0.00 C ATOM 642 O SER A 41 7.050 10.368 -5.540 1.00 0.00 O ATOM 643 CB SER A 41 7.019 8.762 -2.672 1.00 0.00 C ATOM 644 OG SER A 41 8.370 8.915 -3.080 1.00 0.00 O ATOM 0 H SER A 41 7.006 7.142 -4.499 1.00 0.00 H new ATOM 0 HA SER A 41 5.038 8.885 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.776 9.507 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.881 7.783 -2.212 1.00 0.00 H new ATOM 0 HG SER A 41 8.434 8.795 -4.050 1.00 0.00 H new ATOM 650 N GLU A 42 5.625 11.315 -4.036 1.00 0.00 N ATOM 651 CA GLU A 42 5.574 12.650 -4.653 1.00 0.00 C ATOM 652 C GLU A 42 6.928 13.391 -4.542 1.00 0.00 C ATOM 653 O GLU A 42 7.125 14.205 -3.632 1.00 0.00 O ATOM 654 CB GLU A 42 4.414 13.466 -4.007 1.00 0.00 C ATOM 655 CG GLU A 42 3.958 14.691 -4.819 1.00 0.00 C ATOM 656 CD GLU A 42 3.415 14.318 -6.213 1.00 0.00 C ATOM 657 OE1 GLU A 42 2.438 13.534 -6.294 1.00 0.00 O ATOM 658 OE2 GLU A 42 3.943 14.811 -7.228 1.00 0.00 O ATOM 0 H GLU A 42 5.103 11.252 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 42 5.379 12.538 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.560 12.805 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.730 13.800 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.185 15.222 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.797 15.378 -4.933 1.00 0.00 H new ATOM 665 N SER A 43 7.871 13.022 -5.448 1.00 0.00 N ATOM 666 CA SER A 43 9.223 13.631 -5.567 1.00 0.00 C ATOM 667 C SER A 43 10.010 13.633 -4.230 1.00 0.00 C ATOM 668 O SER A 43 10.892 14.482 -4.020 1.00 0.00 O ATOM 669 CB SER A 43 9.093 15.060 -6.152 1.00 0.00 C ATOM 670 OG SER A 43 8.451 15.044 -7.419 1.00 0.00 O ATOM 0 H SER A 43 7.710 12.279 -6.129 1.00 0.00 H new ATOM 0 HA SER A 43 9.808 13.012 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.527 15.687 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.083 15.507 -6.249 1.00 0.00 H new ATOM 0 HG SER A 43 8.382 15.959 -7.762 1.00 0.00 H new ATOM 676 N VAL A 44 9.705 12.642 -3.364 1.00 0.00 N ATOM 677 CA VAL A 44 10.230 12.575 -1.980 1.00 0.00 C ATOM 678 C VAL A 44 11.755 12.369 -1.967 1.00 0.00 C ATOM 679 O VAL A 44 12.494 13.327 -1.699 1.00 0.00 O ATOM 680 CB VAL A 44 9.483 11.483 -1.108 1.00 0.00 C ATOM 681 CG1 VAL A 44 10.096 11.356 0.326 1.00 0.00 C ATOM 682 CG2 VAL A 44 7.963 11.815 -1.034 1.00 0.00 C ATOM 0 H VAL A 44 9.088 11.866 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 44 10.025 13.539 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 44 9.616 10.517 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.553 10.596 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.145 11.070 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.018 12.313 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.455 11.061 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.826 12.795 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.543 11.822 -2.040 1.00 0.00 H new ATOM 692 N ALA A 45 12.223 11.149 -2.306 1.00 0.00 N ATOM 693 CA ALA A 45 13.667 10.794 -2.281 1.00 0.00 C ATOM 694 C ALA A 45 13.894 9.398 -2.899 1.00 0.00 C ATOM 695 O ALA A 45 14.802 8.658 -2.488 1.00 0.00 O ATOM 696 CB ALA A 45 14.205 10.830 -0.840 1.00 0.00 C ATOM 0 H ALA A 45 11.619 10.383 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 45 14.210 11.529 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.263 10.568 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.080 11.832 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.654 10.116 -0.228 1.00 0.00 H new ATOM 702 N GLY A 46 13.090 9.072 -3.916 1.00 0.00 N ATOM 703 CA GLY A 46 13.094 7.738 -4.530 1.00 0.00 C ATOM 704 C GLY A 46 12.334 6.720 -3.694 1.00 0.00 C ATOM 705 O GLY A 46 12.704 5.543 -3.624 1.00 0.00 O ATOM 0 H GLY A 46 12.422 9.719 -4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.649 7.795 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.123 7.403 -4.661 1.00 0.00 H new ATOM 709 N ALA A 47 11.257 7.195 -3.063 1.00 0.00 N ATOM 710 CA ALA A 47 10.416 6.387 -2.174 1.00 0.00 C ATOM 711 C ALA A 47 9.184 5.855 -2.928 1.00 0.00 C ATOM 712 O ALA A 47 8.903 6.257 -4.069 1.00 0.00 O ATOM 713 CB ALA A 47 10.014 7.233 -0.953 1.00 0.00 C ATOM 0 H ALA A 47 10.941 8.160 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 47 10.977 5.519 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.388 6.638 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.910 7.551 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.459 8.110 -1.285 1.00 0.00 H new ATOM 719 N PHE A 48 8.465 4.939 -2.280 1.00 0.00 N ATOM 720 CA PHE A 48 7.226 4.333 -2.810 1.00 0.00 C ATOM 721 C PHE A 48 6.079 4.538 -1.814 1.00 0.00 C ATOM 722 O PHE A 48 6.305 4.750 -0.628 1.00 0.00 O ATOM 723 CB PHE A 48 7.443 2.824 -3.106 1.00 0.00 C ATOM 724 CG PHE A 48 8.524 2.568 -4.161 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.207 2.563 -5.521 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.860 2.362 -3.795 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.188 2.371 -6.476 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.840 2.181 -4.754 1.00 0.00 C ATOM 729 CZ PHE A 48 10.503 2.177 -6.093 1.00 0.00 C ATOM 0 H PHE A 48 8.723 4.586 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 48 6.962 4.823 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.717 2.314 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.503 2.387 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.183 2.711 -5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.129 2.344 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.927 2.372 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.869 2.043 -4.456 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.266 2.022 -6.841 1.00 0.00 H new ATOM 739 N ALA A 49 4.844 4.478 -2.314 1.00 0.00 N ATOM 740 CA ALA A 49 3.634 4.663 -1.500 1.00 0.00 C ATOM 741 C ALA A 49 2.620 3.565 -1.834 1.00 0.00 C ATOM 742 O ALA A 49 2.500 3.160 -2.986 1.00 0.00 O ATOM 743 CB ALA A 49 3.044 6.064 -1.729 1.00 0.00 C ATOM 0 H ALA A 49 4.650 4.299 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 49 3.890 4.584 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.149 6.186 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.779 6.819 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.785 6.182 -2.781 1.00 0.00 H new ATOM 749 N LEU A 50 1.878 3.123 -0.820 1.00 0.00 N ATOM 750 CA LEU A 50 0.891 2.038 -0.922 1.00 0.00 C ATOM 751 C LEU A 50 -0.453 2.588 -0.441 1.00 0.00 C ATOM 752 O LEU A 50 -0.539 3.097 0.672 1.00 0.00 O ATOM 753 CB LEU A 50 1.338 0.815 -0.057 1.00 0.00 C ATOM 754 CG LEU A 50 0.324 -0.378 0.043 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.003 -0.992 -1.337 1.00 0.00 C ATOM 756 CD2 LEU A 50 0.827 -1.454 1.034 1.00 0.00 C ATOM 0 H LEU A 50 1.944 3.515 0.119 1.00 0.00 H new ATOM 0 HA LEU A 50 0.805 1.692 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.275 0.434 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.549 1.169 0.952 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.610 0.029 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.703 -1.814 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.436 -0.230 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.920 -1.367 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.105 -2.269 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.788 -1.841 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.943 -1.012 2.023 1.00 0.00 H new ATOM 768 N CYS A 51 -1.489 2.497 -1.277 1.00 0.00 N ATOM 769 CA CYS A 51 -2.827 3.014 -0.964 1.00 0.00 C ATOM 770 C CYS A 51 -3.790 1.823 -0.881 1.00 0.00 C ATOM 771 O CYS A 51 -3.921 1.070 -1.851 1.00 0.00 O ATOM 772 CB CYS A 51 -3.265 4.026 -2.050 1.00 0.00 C ATOM 773 SG CYS A 51 -2.056 5.333 -2.355 1.00 0.00 S ATOM 0 H CYS A 51 -1.425 2.060 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.828 3.540 -0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.449 3.489 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.210 4.480 -1.751 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.671 6.413 -2.735 1.00 0.00 H new ATOM 779 N VAL A 52 -4.437 1.652 0.286 1.00 0.00 N ATOM 780 CA VAL A 52 -5.333 0.508 0.571 1.00 0.00 C ATOM 781 C VAL A 52 -6.681 1.043 1.093 1.00 0.00 C ATOM 782 O VAL A 52 -6.699 1.815 2.063 1.00 0.00 O ATOM 783 CB VAL A 52 -4.710 -0.494 1.631 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.652 -1.706 1.898 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.293 -0.966 1.214 1.00 0.00 C ATOM 0 H VAL A 52 -4.355 2.306 1.065 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.473 -0.047 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.608 0.056 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.192 -2.370 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.606 -1.347 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.818 -2.249 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.902 -1.651 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.348 -1.476 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.632 -0.103 1.130 1.00 0.00 H new ATOM 795 N LEU A 53 -7.794 0.643 0.446 1.00 0.00 N ATOM 796 CA LEU A 53 -9.160 1.036 0.858 1.00 0.00 C ATOM 797 C LEU A 53 -9.778 -0.062 1.731 1.00 0.00 C ATOM 798 O LEU A 53 -9.638 -1.258 1.437 1.00 0.00 O ATOM 799 CB LEU A 53 -10.065 1.282 -0.380 1.00 0.00 C ATOM 800 CG LEU A 53 -11.582 1.581 -0.106 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.785 2.888 0.681 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.401 1.584 -1.415 1.00 0.00 C ATOM 0 H LEU A 53 -7.773 0.039 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.089 1.963 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.651 2.119 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.004 0.405 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.955 0.771 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.850 3.052 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.276 2.817 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.373 3.722 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.447 1.794 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.013 2.351 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.322 0.609 -1.896 1.00 0.00 H new ATOM 814 N TYR A 54 -10.472 0.372 2.792 1.00 0.00 N ATOM 815 CA TYR A 54 -11.219 -0.501 3.686 1.00 0.00 C ATOM 816 C TYR A 54 -12.233 0.342 4.475 1.00 0.00 C ATOM 817 O TYR A 54 -11.836 1.306 5.130 1.00 0.00 O ATOM 818 CB TYR A 54 -10.255 -1.238 4.652 1.00 0.00 C ATOM 819 CG TYR A 54 -10.933 -2.306 5.520 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.623 -3.365 4.929 1.00 0.00 C ATOM 821 CD2 TYR A 54 -10.879 -2.264 6.920 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.223 -4.345 5.692 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.482 -3.243 7.689 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.158 -4.279 7.072 1.00 0.00 C ATOM 825 OH TYR A 54 -12.752 -5.269 7.831 1.00 0.00 O ATOM 0 H TYR A 54 -10.526 1.357 3.051 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.750 -1.253 3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.463 -1.708 4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.779 -0.505 5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.689 -3.418 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.358 -1.453 7.407 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.742 -5.162 5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.425 -3.198 8.767 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.616 -5.078 8.782 1.00 0.00 H new ATOM 835 N GLN A 55 -13.522 -0.049 4.402 1.00 0.00 N ATOM 836 CA GLN A 55 -14.650 0.587 5.131 1.00 0.00 C ATOM 837 C GLN A 55 -14.677 2.126 4.950 1.00 0.00 C ATOM 838 O GLN A 55 -14.737 2.875 5.941 1.00 0.00 O ATOM 839 CB GLN A 55 -14.608 0.182 6.643 1.00 0.00 C ATOM 840 CG GLN A 55 -14.636 -1.339 6.920 1.00 0.00 C ATOM 841 CD GLN A 55 -16.002 -2.020 6.723 1.00 0.00 C ATOM 842 OE1 GLN A 55 -16.840 -1.582 5.937 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.230 -3.114 7.442 1.00 0.00 N ATOM 0 H GLN A 55 -13.819 -0.834 3.822 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.579 0.217 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.705 0.599 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.456 0.643 7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.910 -1.824 6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.308 -1.511 7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.519 -3.458 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.116 -3.610 7.348 1.00 0.00 H new ATOM 852 N LYS A 56 -14.647 2.577 3.674 1.00 0.00 N ATOM 853 CA LYS A 56 -14.580 4.011 3.283 1.00 0.00 C ATOM 854 C LYS A 56 -13.356 4.736 3.919 1.00 0.00 C ATOM 855 O LYS A 56 -13.424 5.912 4.310 1.00 0.00 O ATOM 856 CB LYS A 56 -15.936 4.728 3.596 1.00 0.00 C ATOM 857 CG LYS A 56 -16.122 6.093 2.880 1.00 0.00 C ATOM 858 CD LYS A 56 -17.482 6.748 3.197 1.00 0.00 C ATOM 859 CE LYS A 56 -17.670 8.105 2.497 1.00 0.00 C ATOM 860 NZ LYS A 56 -18.994 8.711 2.805 1.00 0.00 N ATOM 0 H LYS A 56 -14.669 1.947 2.872 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.424 4.061 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.756 4.068 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.011 4.883 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.320 6.768 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.034 5.949 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.284 6.074 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.571 6.885 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.878 8.786 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.573 7.974 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.081 9.624 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.751 8.073 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.077 8.860 3.831 1.00 0.00 H new ATOM 874 N HIS A 57 -12.214 4.028 3.976 1.00 0.00 N ATOM 875 CA HIS A 57 -10.957 4.575 4.522 1.00 0.00 C ATOM 876 C HIS A 57 -9.770 4.104 3.674 1.00 0.00 C ATOM 877 O HIS A 57 -9.366 2.942 3.744 1.00 0.00 O ATOM 878 CB HIS A 57 -10.772 4.163 6.010 1.00 0.00 C ATOM 879 CG HIS A 57 -9.565 4.785 6.680 1.00 0.00 C ATOM 880 ND1 HIS A 57 -9.640 5.927 7.448 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.261 4.418 6.696 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.443 6.235 7.899 1.00 0.00 C ATOM 883 NE2 HIS A 57 -7.588 5.334 7.456 1.00 0.00 N ATOM 0 H HIS A 57 -12.135 3.066 3.647 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.005 5.663 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.667 4.442 6.567 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.686 3.078 6.067 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.832 3.560 6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.202 7.081 8.525 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.587 5.322 7.649 1.00 0.00 H new ATOM 892 N VAL A 58 -9.218 5.023 2.870 1.00 0.00 N ATOM 893 CA VAL A 58 -7.942 4.822 2.180 1.00 0.00 C ATOM 894 C VAL A 58 -6.815 5.266 3.117 1.00 0.00 C ATOM 895 O VAL A 58 -6.714 6.457 3.443 1.00 0.00 O ATOM 896 CB VAL A 58 -7.852 5.630 0.833 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.437 5.497 0.186 1.00 0.00 C ATOM 898 CG2 VAL A 58 -8.971 5.191 -0.146 1.00 0.00 C ATOM 0 H VAL A 58 -9.647 5.929 2.681 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.854 3.766 1.925 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.004 6.685 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.407 6.066 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.685 5.884 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.230 4.448 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.890 5.762 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.866 4.128 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.945 5.373 0.309 1.00 0.00 H new ATOM 908 N HIS A 59 -6.001 4.309 3.590 1.00 0.00 N ATOM 909 CA HIS A 59 -4.768 4.611 4.329 1.00 0.00 C ATOM 910 C HIS A 59 -3.607 4.538 3.338 1.00 0.00 C ATOM 911 O HIS A 59 -3.488 3.550 2.606 1.00 0.00 O ATOM 912 CB HIS A 59 -4.550 3.610 5.495 1.00 0.00 C ATOM 913 CG HIS A 59 -3.475 3.993 6.489 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.140 4.154 6.159 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.555 4.246 7.816 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.460 4.491 7.240 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.296 4.552 8.255 1.00 0.00 N ATOM 0 H HIS A 59 -6.178 3.312 3.471 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.835 5.605 4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.492 3.493 6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.300 2.636 5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.450 4.212 8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.398 4.684 7.284 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.045 4.789 9.215 1.00 0.00 H new ATOM 926 N THR A 60 -2.755 5.567 3.320 1.00 0.00 N ATOM 927 CA THR A 60 -1.585 5.627 2.441 1.00 0.00 C ATOM 928 C THR A 60 -0.338 5.439 3.312 1.00 0.00 C ATOM 929 O THR A 60 -0.221 6.067 4.373 1.00 0.00 O ATOM 930 CB THR A 60 -1.518 6.984 1.650 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.577 8.088 2.562 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.667 7.113 0.627 1.00 0.00 C ATOM 0 H THR A 60 -2.859 6.386 3.919 1.00 0.00 H new ATOM 0 HA THR A 60 -1.650 4.839 1.691 1.00 0.00 H new ATOM 0 HB THR A 60 -0.573 6.995 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.533 8.929 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.582 8.065 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.607 6.296 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.624 7.069 1.147 1.00 0.00 H new ATOM 940 N TYR A 61 0.544 4.529 2.899 1.00 0.00 N ATOM 941 CA TYR A 61 1.789 4.222 3.598 1.00 0.00 C ATOM 942 C TYR A 61 2.904 4.679 2.664 1.00 0.00 C ATOM 943 O TYR A 61 3.215 3.976 1.693 1.00 0.00 O ATOM 944 CB TYR A 61 1.914 2.682 3.877 1.00 0.00 C ATOM 945 CG TYR A 61 0.626 2.000 4.385 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.378 1.607 3.492 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.416 1.748 5.742 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.532 1.000 3.927 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.742 1.135 6.183 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.713 0.765 5.269 1.00 0.00 C ATOM 951 OH TYR A 61 -2.866 0.153 5.698 1.00 0.00 O ATOM 0 H TYR A 61 0.409 3.975 2.053 1.00 0.00 H new ATOM 0 HA TYR A 61 1.833 4.721 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.230 2.187 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.703 2.525 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.243 1.785 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.170 2.037 6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.293 0.709 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.888 0.946 7.236 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.863 -0.786 5.416 1.00 0.00 H new ATOM 961 N ARG A 62 3.463 5.873 2.908 1.00 0.00 N ATOM 962 CA ARG A 62 4.574 6.380 2.095 1.00 0.00 C ATOM 963 C ARG A 62 5.852 5.772 2.657 1.00 0.00 C ATOM 964 O ARG A 62 6.408 6.260 3.638 1.00 0.00 O ATOM 965 CB ARG A 62 4.622 7.928 2.151 1.00 0.00 C ATOM 966 CG ARG A 62 3.307 8.626 1.724 1.00 0.00 C ATOM 967 CD ARG A 62 3.321 10.130 2.046 1.00 0.00 C ATOM 968 NE ARG A 62 3.464 10.376 3.498 1.00 0.00 N ATOM 969 CZ ARG A 62 4.496 11.010 4.092 1.00 0.00 C ATOM 970 NH1 ARG A 62 5.524 11.469 3.380 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.506 11.153 5.405 1.00 0.00 N ATOM 0 H ARG A 62 3.166 6.500 3.656 1.00 0.00 H new ATOM 0 HA ARG A 62 4.451 6.103 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.868 8.235 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.430 8.278 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.153 8.486 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.465 8.155 2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.142 10.609 1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.399 10.588 1.688 1.00 0.00 H new ATOM 0 HE ARG A 62 2.716 10.036 4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.540 11.344 2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.295 11.946 3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.736 10.785 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.283 11.631 5.860 1.00 0.00 H new ATOM 985 N ILE A 63 6.218 4.629 2.090 1.00 0.00 N ATOM 986 CA ILE A 63 7.419 3.879 2.443 1.00 0.00 C ATOM 987 C ILE A 63 8.679 4.506 1.833 1.00 0.00 C ATOM 988 O ILE A 63 8.795 4.637 0.615 1.00 0.00 O ATOM 989 CB ILE A 63 7.195 2.399 1.961 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.876 1.842 2.617 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.415 1.501 2.264 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.329 0.559 2.019 1.00 0.00 C ATOM 0 H ILE A 63 5.673 4.185 1.351 1.00 0.00 H new ATOM 0 HA ILE A 63 7.583 3.900 3.520 1.00 0.00 H new ATOM 0 HB ILE A 63 7.083 2.392 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.063 1.675 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.106 2.610 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.217 0.488 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.293 1.896 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.597 1.485 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.421 0.269 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.100 0.717 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.072 -0.232 2.114 1.00 0.00 H new ATOM 1004 N LEU A 64 9.628 4.855 2.707 1.00 0.00 N ATOM 1005 CA LEU A 64 10.889 5.502 2.321 1.00 0.00 C ATOM 1006 C LEU A 64 11.967 4.409 2.133 1.00 0.00 C ATOM 1007 O LEU A 64 11.906 3.364 2.798 1.00 0.00 O ATOM 1008 CB LEU A 64 11.325 6.568 3.383 1.00 0.00 C ATOM 1009 CG LEU A 64 10.581 7.950 3.362 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.086 7.839 3.705 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.273 8.969 4.291 1.00 0.00 C ATOM 0 H LEU A 64 9.543 4.696 3.711 1.00 0.00 H new ATOM 0 HA LEU A 64 10.755 6.038 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.196 6.130 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.391 6.757 3.254 1.00 0.00 H new ATOM 0 HG LEU A 64 10.642 8.308 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.631 8.829 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.594 7.190 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.972 7.420 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.736 9.917 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.272 8.589 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.301 9.122 3.962 1.00 0.00 H new ATOM 1023 N PRO A 65 12.969 4.631 1.223 1.00 0.00 N ATOM 1024 CA PRO A 65 13.939 3.583 0.819 1.00 0.00 C ATOM 1025 C PRO A 65 15.080 3.385 1.872 1.00 0.00 C ATOM 1026 O PRO A 65 14.827 3.468 3.084 1.00 0.00 O ATOM 1027 CB PRO A 65 14.407 4.135 -0.558 1.00 0.00 C ATOM 1028 CG PRO A 65 14.422 5.621 -0.380 1.00 0.00 C ATOM 1029 CD PRO A 65 13.251 5.930 0.527 1.00 0.00 C ATOM 0 HA PRO A 65 13.533 2.574 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.395 3.757 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.727 3.838 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.361 5.954 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.323 6.132 -1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.496 6.718 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.387 6.272 -0.042 1.00 0.00 H new ATOM 1037 N ASP A 66 16.319 3.122 1.402 1.00 0.00 N ATOM 1038 CA ASP A 66 17.459 2.746 2.264 1.00 0.00 C ATOM 1039 C ASP A 66 18.758 2.770 1.449 1.00 0.00 C ATOM 1040 O ASP A 66 18.735 2.552 0.231 1.00 0.00 O ATOM 1041 CB ASP A 66 17.239 1.344 2.916 1.00 0.00 C ATOM 1042 CG ASP A 66 18.423 0.857 3.769 1.00 0.00 C ATOM 1043 OD1 ASP A 66 18.706 1.487 4.812 1.00 0.00 O ATOM 1044 OD2 ASP A 66 19.090 -0.131 3.390 1.00 0.00 O ATOM 0 H ASP A 66 16.556 3.165 0.411 1.00 0.00 H new ATOM 0 HA ASP A 66 17.535 3.474 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.346 1.381 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.048 0.615 2.129 1.00 0.00 H new ATOM 1049 N GLY A 67 19.880 3.043 2.146 1.00 0.00 N ATOM 1050 CA GLY A 67 21.209 3.104 1.539 1.00 0.00 C ATOM 1051 C GLY A 67 21.606 1.840 0.777 1.00 0.00 C ATOM 1052 O GLY A 67 22.290 1.923 -0.254 1.00 0.00 O ATOM 0 H GLY A 67 19.881 3.227 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.246 3.953 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.945 3.290 2.321 1.00 0.00 H new ATOM 1056 N GLU A 68 21.177 0.662 1.282 1.00 0.00 N ATOM 1057 CA GLU A 68 21.483 -0.654 0.671 1.00 0.00 C ATOM 1058 C GLU A 68 20.266 -1.210 -0.117 1.00 0.00 C ATOM 1059 O GLU A 68 20.159 -2.426 -0.329 1.00 0.00 O ATOM 1060 CB GLU A 68 21.910 -1.639 1.803 1.00 0.00 C ATOM 1061 CG GLU A 68 22.985 -1.093 2.768 1.00 0.00 C ATOM 1062 CD GLU A 68 24.317 -0.741 2.069 1.00 0.00 C ATOM 1063 OE1 GLU A 68 25.151 -1.652 1.862 1.00 0.00 O ATOM 1064 OE2 GLU A 68 24.535 0.442 1.720 1.00 0.00 O ATOM 0 H GLU A 68 20.608 0.595 2.126 1.00 0.00 H new ATOM 0 HA GLU A 68 22.297 -0.538 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.027 -1.910 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 68 22.284 -2.555 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.598 -0.203 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.176 -1.834 3.544 1.00 0.00 H new ATOM 1071 N ASP A 69 19.382 -0.296 -0.580 1.00 0.00 N ATOM 1072 CA ASP A 69 18.181 -0.596 -1.397 1.00 0.00 C ATOM 1073 C ASP A 69 17.179 -1.556 -0.717 1.00 0.00 C ATOM 1074 O ASP A 69 16.834 -2.611 -1.262 1.00 0.00 O ATOM 1075 CB ASP A 69 18.569 -1.099 -2.829 1.00 0.00 C ATOM 1076 CG ASP A 69 19.365 -0.078 -3.656 1.00 0.00 C ATOM 1077 OD1 ASP A 69 19.075 1.133 -3.569 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.280 -0.479 -4.412 1.00 0.00 O ATOM 0 H ASP A 69 19.487 0.701 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 69 17.656 0.354 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.157 -2.012 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.659 -1.359 -3.370 1.00 0.00 H new ATOM 1083 N PHE A 70 16.696 -1.175 0.468 1.00 0.00 N ATOM 1084 CA PHE A 70 15.566 -1.854 1.141 1.00 0.00 C ATOM 1085 C PHE A 70 14.415 -0.854 1.320 1.00 0.00 C ATOM 1086 O PHE A 70 14.646 0.348 1.396 1.00 0.00 O ATOM 1087 CB PHE A 70 16.013 -2.444 2.507 1.00 0.00 C ATOM 1088 CG PHE A 70 17.007 -3.603 2.370 1.00 0.00 C ATOM 1089 CD1 PHE A 70 16.553 -4.910 2.176 1.00 0.00 C ATOM 1090 CD2 PHE A 70 18.383 -3.389 2.413 1.00 0.00 C ATOM 1091 CE1 PHE A 70 17.443 -5.959 2.029 1.00 0.00 C ATOM 1092 CE2 PHE A 70 19.270 -4.438 2.262 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.802 -5.722 2.074 1.00 0.00 C ATOM 0 H PHE A 70 17.072 -0.387 0.995 1.00 0.00 H new ATOM 0 HA PHE A 70 15.223 -2.685 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.467 -1.654 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.134 -2.790 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.491 -5.104 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.762 -2.389 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.074 -6.963 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 70 20.333 -4.252 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 70 19.498 -6.540 1.962 1.00 0.00 H new ATOM 1103 N LEU A 71 13.173 -1.349 1.350 1.00 0.00 N ATOM 1104 CA LEU A 71 11.992 -0.497 1.544 1.00 0.00 C ATOM 1105 C LEU A 71 11.591 -0.566 3.023 1.00 0.00 C ATOM 1106 O LEU A 71 11.065 -1.581 3.481 1.00 0.00 O ATOM 1107 CB LEU A 71 10.820 -0.960 0.619 1.00 0.00 C ATOM 1108 CG LEU A 71 11.079 -0.908 -0.937 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.985 -2.066 -1.422 1.00 0.00 C ATOM 1110 CD2 LEU A 71 9.748 -0.877 -1.727 1.00 0.00 C ATOM 0 H LEU A 71 12.958 -2.340 1.242 1.00 0.00 H new ATOM 0 HA LEU A 71 12.224 0.534 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.561 -1.984 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.949 -0.343 0.839 1.00 0.00 H new ATOM 0 HG LEU A 71 11.614 0.021 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.133 -1.986 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.950 -2.009 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.511 -3.020 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.960 -0.841 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.170 -1.773 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.176 0.005 -1.441 1.00 0.00 H new ATOM 1122 N ALA A 72 11.830 0.537 3.753 1.00 0.00 N ATOM 1123 CA ALA A 72 11.591 0.622 5.205 1.00 0.00 C ATOM 1124 C ALA A 72 10.236 1.294 5.466 1.00 0.00 C ATOM 1125 O ALA A 72 10.023 2.442 5.069 1.00 0.00 O ATOM 1126 CB ALA A 72 12.745 1.395 5.886 1.00 0.00 C ATOM 0 H ALA A 72 12.196 1.400 3.350 1.00 0.00 H new ATOM 0 HA ALA A 72 11.562 -0.380 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.561 1.453 6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.686 0.875 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.802 2.402 5.472 1.00 0.00 H new ATOM 1132 N VAL A 73 9.321 0.550 6.103 1.00 0.00 N ATOM 1133 CA VAL A 73 7.943 0.993 6.369 1.00 0.00 C ATOM 1134 C VAL A 73 7.814 1.491 7.814 1.00 0.00 C ATOM 1135 O VAL A 73 8.335 0.865 8.739 1.00 0.00 O ATOM 1136 CB VAL A 73 6.891 -0.165 6.143 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.432 0.392 6.152 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.198 -0.972 4.850 1.00 0.00 C ATOM 0 H VAL A 73 9.518 -0.388 6.453 1.00 0.00 H new ATOM 0 HA VAL A 73 7.731 1.799 5.666 1.00 0.00 H new ATOM 0 HB VAL A 73 6.978 -0.861 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.729 -0.426 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.229 0.865 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.318 1.127 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.454 -1.759 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.166 -0.305 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.190 -1.418 4.926 1.00 0.00 H new ATOM 1148 N GLN A 74 7.043 2.568 7.991 1.00 0.00 N ATOM 1149 CA GLN A 74 6.747 3.151 9.300 1.00 0.00 C ATOM 1150 C GLN A 74 5.287 2.807 9.567 1.00 0.00 C ATOM 1151 O GLN A 74 4.374 3.538 9.155 1.00 0.00 O ATOM 1152 CB GLN A 74 6.987 4.690 9.313 1.00 0.00 C ATOM 1153 CG GLN A 74 8.437 5.124 9.020 1.00 0.00 C ATOM 1154 CD GLN A 74 9.460 4.622 10.044 1.00 0.00 C ATOM 1155 OE1 GLN A 74 10.037 3.556 9.884 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.694 5.396 11.101 1.00 0.00 N ATOM 0 H GLN A 74 6.602 3.065 7.217 1.00 0.00 H new ATOM 0 HA GLN A 74 7.403 2.754 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.329 5.152 8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.697 5.080 10.289 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.721 4.762 8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.479 6.213 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.196 6.280 11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.371 5.105 11.806 1.00 0.00 H new ATOM 1165 N THR A 75 5.067 1.650 10.196 1.00 0.00 N ATOM 1166 CA THR A 75 3.727 1.086 10.375 1.00 0.00 C ATOM 1167 C THR A 75 3.151 1.590 11.708 1.00 0.00 C ATOM 1168 O THR A 75 3.812 1.474 12.746 1.00 0.00 O ATOM 1169 CB THR A 75 3.769 -0.481 10.338 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.437 -0.918 9.140 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.359 -1.112 10.386 1.00 0.00 C ATOM 0 H THR A 75 5.812 1.078 10.595 1.00 0.00 H new ATOM 0 HA THR A 75 3.084 1.411 9.557 1.00 0.00 H new ATOM 0 HB THR A 75 4.311 -0.809 11.225 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.464 -1.897 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.445 -2.198 10.358 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.857 -0.812 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.779 -0.772 9.528 1.00 0.00 H new ATOM 1179 N SER A 76 1.946 2.199 11.637 1.00 0.00 N ATOM 1180 CA SER A 76 1.186 2.710 12.792 1.00 0.00 C ATOM 1181 C SER A 76 1.984 3.779 13.589 1.00 0.00 C ATOM 1182 O SER A 76 1.912 4.962 13.242 1.00 0.00 O ATOM 1183 CB SER A 76 0.693 1.547 13.683 1.00 0.00 C ATOM 1184 OG SER A 76 -0.059 0.609 12.934 1.00 0.00 O ATOM 0 H SER A 76 1.466 2.351 10.750 1.00 0.00 H new ATOM 0 HA SER A 76 0.302 3.222 12.411 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.548 1.049 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.082 1.942 14.495 1.00 0.00 H new ATOM 0 HG SER A 76 -0.356 -0.116 13.522 1.00 0.00 H new ATOM 1190 N GLN A 77 2.777 3.330 14.606 1.00 0.00 N ATOM 1191 CA GLN A 77 3.568 4.211 15.517 1.00 0.00 C ATOM 1192 C GLN A 77 4.289 3.381 16.605 1.00 0.00 C ATOM 1193 O GLN A 77 5.339 3.789 17.112 1.00 0.00 O ATOM 1194 CB GLN A 77 2.683 5.304 16.198 1.00 0.00 C ATOM 1195 CG GLN A 77 1.535 4.757 17.070 1.00 0.00 C ATOM 1196 CD GLN A 77 0.692 5.857 17.712 1.00 0.00 C ATOM 1197 OE1 GLN A 77 0.974 6.307 18.822 1.00 0.00 O ATOM 1198 NE2 GLN A 77 -0.324 6.320 16.999 1.00 0.00 N ATOM 0 H GLN A 77 2.886 2.338 14.818 1.00 0.00 H new ATOM 0 HA GLN A 77 4.309 4.713 14.894 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.321 5.935 16.817 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.259 5.943 15.423 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.891 4.125 16.458 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.952 4.124 17.853 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.527 5.922 16.082 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.903 7.075 17.367 1.00 0.00 H new ATOM 1207 N GLY A 78 3.724 2.213 16.945 1.00 0.00 N ATOM 1208 CA GLY A 78 4.186 1.423 18.096 1.00 0.00 C ATOM 1209 C GLY A 78 4.390 -0.049 17.760 1.00 0.00 C ATOM 1210 O GLY A 78 4.073 -0.928 18.574 1.00 0.00 O ATOM 0 H GLY A 78 2.945 1.794 16.438 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.123 1.840 18.464 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.460 1.509 18.904 1.00 0.00 H new ATOM 1214 N VAL A 79 4.952 -0.317 16.574 1.00 0.00 N ATOM 1215 CA VAL A 79 5.274 -1.676 16.100 1.00 0.00 C ATOM 1216 C VAL A 79 6.602 -1.589 15.295 1.00 0.00 C ATOM 1217 O VAL A 79 6.779 -0.615 14.551 1.00 0.00 O ATOM 1218 CB VAL A 79 4.075 -2.284 15.247 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.626 -1.339 14.110 1.00 0.00 C ATOM 1220 CG2 VAL A 79 4.399 -3.704 14.705 1.00 0.00 C ATOM 0 H VAL A 79 5.200 0.412 15.905 1.00 0.00 H new ATOM 0 HA VAL A 79 5.409 -2.359 16.939 1.00 0.00 H new ATOM 0 HB VAL A 79 3.235 -2.384 15.934 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.806 -1.798 13.557 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.292 -0.392 14.534 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.463 -1.159 13.435 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.551 -4.076 14.130 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.279 -3.657 14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.594 -4.377 15.540 1.00 0.00 H new ATOM 1230 N PRO A 80 7.585 -2.546 15.508 1.00 0.00 N ATOM 1231 CA PRO A 80 8.886 -2.593 14.771 1.00 0.00 C ATOM 1232 C PRO A 80 8.796 -2.269 13.254 1.00 0.00 C ATOM 1233 O PRO A 80 7.902 -2.761 12.549 1.00 0.00 O ATOM 1234 CB PRO A 80 9.339 -4.052 14.998 1.00 0.00 C ATOM 1235 CG PRO A 80 8.852 -4.368 16.381 1.00 0.00 C ATOM 1236 CD PRO A 80 7.526 -3.638 16.527 1.00 0.00 C ATOM 0 HA PRO A 80 9.573 -1.830 15.136 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.906 -4.725 14.258 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.422 -4.151 14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.724 -5.442 16.515 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.567 -4.035 17.133 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.684 -4.305 16.345 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.403 -3.236 17.533 1.00 0.00 H new ATOM 1244 N VAL A 81 9.742 -1.430 12.794 1.00 0.00 N ATOM 1245 CA VAL A 81 9.856 -0.980 11.399 1.00 0.00 C ATOM 1246 C VAL A 81 10.160 -2.188 10.493 1.00 0.00 C ATOM 1247 O VAL A 81 11.078 -2.964 10.785 1.00 0.00 O ATOM 1248 CB VAL A 81 11.002 0.096 11.282 1.00 0.00 C ATOM 1249 CG1 VAL A 81 11.250 0.520 9.812 1.00 0.00 C ATOM 1250 CG2 VAL A 81 10.699 1.328 12.184 1.00 0.00 C ATOM 0 H VAL A 81 10.464 -1.038 13.398 1.00 0.00 H new ATOM 0 HA VAL A 81 8.917 -0.528 11.081 1.00 0.00 H new ATOM 0 HB VAL A 81 11.923 -0.366 11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.047 1.262 9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.540 -0.352 9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.337 0.948 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.504 2.057 12.087 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.758 1.783 11.875 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.623 1.008 13.223 1.00 0.00 H new ATOM 1260 N ARG A 82 9.413 -2.337 9.387 1.00 0.00 N ATOM 1261 CA ARG A 82 9.531 -3.515 8.512 1.00 0.00 C ATOM 1262 C ARG A 82 10.281 -3.128 7.227 1.00 0.00 C ATOM 1263 O ARG A 82 9.801 -2.299 6.456 1.00 0.00 O ATOM 1264 CB ARG A 82 8.113 -4.049 8.162 1.00 0.00 C ATOM 1265 CG ARG A 82 8.105 -5.445 7.491 1.00 0.00 C ATOM 1266 CD ARG A 82 8.548 -6.558 8.459 1.00 0.00 C ATOM 1267 NE ARG A 82 7.620 -6.659 9.606 1.00 0.00 N ATOM 1268 CZ ARG A 82 7.962 -6.838 10.888 1.00 0.00 C ATOM 1269 NH1 ARG A 82 9.222 -6.979 11.253 1.00 0.00 N ATOM 1270 NH2 ARG A 82 7.023 -6.882 11.809 1.00 0.00 N ATOM 0 H ARG A 82 8.720 -1.656 9.077 1.00 0.00 H new ATOM 0 HA ARG A 82 10.088 -4.298 9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.519 -4.094 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.623 -3.337 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.103 -5.664 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.767 -5.434 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.586 -7.511 7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.556 -6.353 8.819 1.00 0.00 H new ATOM 0 HE ARG A 82 6.624 -6.585 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.962 -6.953 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.456 -7.114 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.043 -6.780 11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.275 -7.018 12.788 1.00 0.00 H new ATOM 1284 N ARG A 83 11.463 -3.727 7.002 1.00 0.00 N ATOM 1285 CA ARG A 83 12.222 -3.572 5.745 1.00 0.00 C ATOM 1286 C ARG A 83 11.859 -4.710 4.791 1.00 0.00 C ATOM 1287 O ARG A 83 11.572 -5.828 5.231 1.00 0.00 O ATOM 1288 CB ARG A 83 13.765 -3.558 6.000 1.00 0.00 C ATOM 1289 CG ARG A 83 14.324 -2.282 6.679 1.00 0.00 C ATOM 1290 CD ARG A 83 13.895 -2.112 8.148 1.00 0.00 C ATOM 1291 NE ARG A 83 14.404 -0.852 8.712 1.00 0.00 N ATOM 1292 CZ ARG A 83 14.549 -0.571 10.013 1.00 0.00 C ATOM 1293 NH1 ARG A 83 14.220 -1.452 10.957 1.00 0.00 N ATOM 1294 NH2 ARG A 83 15.008 0.622 10.362 1.00 0.00 N ATOM 0 H ARG A 83 11.920 -4.332 7.684 1.00 0.00 H new ATOM 0 HA ARG A 83 11.954 -2.614 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.020 -4.418 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.273 -3.691 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.413 -2.305 6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.997 -1.410 6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.807 -2.130 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.265 -2.952 8.736 1.00 0.00 H new ATOM 0 HE ARG A 83 14.672 -0.124 8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.848 -2.365 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.340 -1.213 11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.244 1.308 9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.125 0.855 11.348 1.00 0.00 H new ATOM 1308 N PHE A 84 11.848 -4.411 3.490 1.00 0.00 N ATOM 1309 CA PHE A 84 11.623 -5.402 2.427 1.00 0.00 C ATOM 1310 C PHE A 84 12.764 -5.357 1.420 1.00 0.00 C ATOM 1311 O PHE A 84 13.324 -4.289 1.161 1.00 0.00 O ATOM 1312 CB PHE A 84 10.273 -5.133 1.723 1.00 0.00 C ATOM 1313 CG PHE A 84 9.077 -5.377 2.618 1.00 0.00 C ATOM 1314 CD1 PHE A 84 8.716 -6.673 2.951 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.317 -4.323 3.128 1.00 0.00 C ATOM 1316 CE1 PHE A 84 7.631 -6.915 3.749 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.225 -4.572 3.929 1.00 0.00 C ATOM 1318 CZ PHE A 84 6.884 -5.872 4.239 1.00 0.00 C ATOM 0 H PHE A 84 11.996 -3.465 3.138 1.00 0.00 H new ATOM 0 HA PHE A 84 11.590 -6.396 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.252 -4.101 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.196 -5.770 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.298 -7.502 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.588 -3.304 2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.361 -7.931 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.637 -3.752 4.313 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.029 -6.070 4.868 1.00 0.00 H new ATOM 1328 N GLN A 85 13.100 -6.522 0.851 1.00 0.00 N ATOM 1329 CA GLN A 85 14.166 -6.638 -0.155 1.00 0.00 C ATOM 1330 C GLN A 85 13.688 -6.090 -1.512 1.00 0.00 C ATOM 1331 O GLN A 85 14.440 -5.399 -2.210 1.00 0.00 O ATOM 1332 CB GLN A 85 14.644 -8.107 -0.277 1.00 0.00 C ATOM 1333 CG GLN A 85 15.928 -8.286 -1.118 1.00 0.00 C ATOM 1334 CD GLN A 85 16.482 -9.711 -1.123 1.00 0.00 C ATOM 1335 OE1 GLN A 85 15.736 -10.685 -1.027 1.00 0.00 O ATOM 1336 NE2 GLN A 85 17.803 -9.841 -1.229 1.00 0.00 N ATOM 0 H GLN A 85 12.644 -7.407 1.073 1.00 0.00 H new ATOM 0 HA GLN A 85 15.017 -6.038 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.819 -8.505 0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 85 13.846 -8.702 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.721 -7.985 -2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.695 -7.612 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.392 -9.012 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.225 -10.769 -1.232 1.00 0.00 H new ATOM 1345 N THR A 86 12.418 -6.382 -1.864 1.00 0.00 N ATOM 1346 CA THR A 86 11.789 -5.935 -3.129 1.00 0.00 C ATOM 1347 C THR A 86 10.318 -5.538 -2.872 1.00 0.00 C ATOM 1348 O THR A 86 9.792 -5.726 -1.765 1.00 0.00 O ATOM 1349 CB THR A 86 11.837 -7.044 -4.247 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.226 -8.254 -3.773 1.00 0.00 O ATOM 1351 CG2 THR A 86 13.274 -7.335 -4.738 1.00 0.00 C ATOM 0 H THR A 86 11.795 -6.937 -1.277 1.00 0.00 H new ATOM 0 HA THR A 86 12.359 -5.077 -3.485 1.00 0.00 H new ATOM 0 HB THR A 86 11.278 -6.658 -5.100 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.260 -8.935 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.246 -8.107 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.708 -6.425 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.882 -7.679 -3.901 1.00 0.00 H new ATOM 1359 N LEU A 87 9.674 -4.993 -3.921 1.00 0.00 N ATOM 1360 CA LEU A 87 8.241 -4.637 -3.917 1.00 0.00 C ATOM 1361 C LEU A 87 7.388 -5.930 -3.863 1.00 0.00 C ATOM 1362 O LEU A 87 6.341 -5.950 -3.226 1.00 0.00 O ATOM 1363 CB LEU A 87 7.910 -3.760 -5.178 1.00 0.00 C ATOM 1364 CG LEU A 87 6.644 -2.819 -5.128 1.00 0.00 C ATOM 1365 CD1 LEU A 87 5.321 -3.577 -5.315 1.00 0.00 C ATOM 1366 CD2 LEU A 87 6.624 -1.979 -3.830 1.00 0.00 C ATOM 0 H LEU A 87 10.138 -4.785 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 87 8.001 -4.044 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.779 -3.136 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.790 -4.432 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 87 6.733 -2.142 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.489 -2.874 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.322 -4.077 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.212 -4.319 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.741 -1.340 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.598 -2.644 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.520 -1.360 -3.784 1.00 0.00 H new ATOM 1378 N GLY A 88 7.877 -7.009 -4.524 1.00 0.00 N ATOM 1379 CA GLY A 88 7.225 -8.330 -4.473 1.00 0.00 C ATOM 1380 C GLY A 88 7.143 -8.911 -3.061 1.00 0.00 C ATOM 1381 O GLY A 88 6.146 -9.544 -2.690 1.00 0.00 O ATOM 0 H GLY A 88 8.721 -6.984 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.218 -8.246 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.773 -9.023 -5.112 1.00 0.00 H new ATOM 1385 N GLU A 89 8.218 -8.693 -2.285 1.00 0.00 N ATOM 1386 CA GLU A 89 8.283 -9.062 -0.858 1.00 0.00 C ATOM 1387 C GLU A 89 7.272 -8.253 -0.031 1.00 0.00 C ATOM 1388 O GLU A 89 6.562 -8.807 0.818 1.00 0.00 O ATOM 1389 CB GLU A 89 9.716 -8.833 -0.317 1.00 0.00 C ATOM 1390 CG GLU A 89 10.785 -9.764 -0.921 1.00 0.00 C ATOM 1391 CD GLU A 89 10.567 -11.249 -0.568 1.00 0.00 C ATOM 1392 OE1 GLU A 89 11.046 -11.689 0.501 1.00 0.00 O ATOM 1393 OE2 GLU A 89 9.903 -11.975 -1.349 1.00 0.00 O ATOM 0 H GLU A 89 9.071 -8.254 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 89 8.028 -10.118 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.002 -7.799 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.707 -8.965 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.785 -9.651 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.769 -9.454 -0.568 1.00 0.00 H new ATOM 1400 N LEU A 90 7.236 -6.940 -0.306 1.00 0.00 N ATOM 1401 CA LEU A 90 6.334 -5.973 0.353 1.00 0.00 C ATOM 1402 C LEU A 90 4.870 -6.443 0.279 1.00 0.00 C ATOM 1403 O LEU A 90 4.178 -6.540 1.299 1.00 0.00 O ATOM 1404 CB LEU A 90 6.551 -4.577 -0.302 1.00 0.00 C ATOM 1405 CG LEU A 90 5.940 -3.323 0.420 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.754 -2.058 0.075 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.433 -3.106 0.087 1.00 0.00 C ATOM 0 H LEU A 90 7.842 -6.509 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 90 6.568 -5.899 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.625 -4.417 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.142 -4.614 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 90 6.000 -3.515 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.320 -1.196 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.786 -2.189 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.732 -1.894 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.067 -2.225 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.315 -2.961 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.862 -3.980 0.400 1.00 0.00 H new ATOM 1419 N ILE A 91 4.453 -6.794 -0.936 1.00 0.00 N ATOM 1420 CA ILE A 91 3.092 -7.256 -1.234 1.00 0.00 C ATOM 1421 C ILE A 91 2.836 -8.658 -0.642 1.00 0.00 C ATOM 1422 O ILE A 91 1.718 -8.955 -0.217 1.00 0.00 O ATOM 1423 CB ILE A 91 2.863 -7.235 -2.791 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.086 -5.791 -3.344 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.474 -7.780 -3.198 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.199 -4.711 -2.743 1.00 0.00 C ATOM 0 H ILE A 91 5.058 -6.766 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 91 2.376 -6.581 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 91 3.596 -7.906 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.127 -5.515 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.929 -5.806 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.372 -7.742 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.375 -8.812 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.695 -7.171 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.437 -3.750 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.153 -4.952 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.370 -4.656 -1.668 1.00 0.00 H new ATOM 1438 N GLY A 92 3.890 -9.492 -0.609 1.00 0.00 N ATOM 1439 CA GLY A 92 3.812 -10.850 -0.051 1.00 0.00 C ATOM 1440 C GLY A 92 3.405 -10.899 1.425 1.00 0.00 C ATOM 1441 O GLY A 92 2.401 -11.532 1.776 1.00 0.00 O ATOM 0 H GLY A 92 4.813 -9.245 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.096 -11.430 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.782 -11.334 -0.165 1.00 0.00 H new ATOM 1445 N LEU A 93 4.178 -10.215 2.290 1.00 0.00 N ATOM 1446 CA LEU A 93 3.930 -10.188 3.747 1.00 0.00 C ATOM 1447 C LEU A 93 2.658 -9.372 4.089 1.00 0.00 C ATOM 1448 O LEU A 93 1.986 -9.649 5.083 1.00 0.00 O ATOM 1449 CB LEU A 93 5.170 -9.621 4.511 1.00 0.00 C ATOM 1450 CG LEU A 93 6.430 -10.559 4.624 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.131 -10.788 3.265 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.428 -10.034 5.688 1.00 0.00 C ATOM 0 H LEU A 93 4.989 -9.667 2.002 1.00 0.00 H new ATOM 0 HA LEU A 93 3.765 -11.215 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.478 -8.698 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.854 -9.355 5.520 1.00 0.00 H new ATOM 0 HG LEU A 93 6.063 -11.532 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.992 -11.442 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.432 -11.252 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.464 -9.832 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.287 -10.703 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.763 -9.035 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.936 -9.995 6.660 1.00 0.00 H new ATOM 1464 N TYR A 94 2.364 -8.350 3.273 1.00 0.00 N ATOM 1465 CA TYR A 94 1.159 -7.502 3.453 1.00 0.00 C ATOM 1466 C TYR A 94 -0.134 -8.161 2.929 1.00 0.00 C ATOM 1467 O TYR A 94 -1.238 -7.746 3.316 1.00 0.00 O ATOM 1468 CB TYR A 94 1.396 -6.092 2.841 1.00 0.00 C ATOM 1469 CG TYR A 94 2.300 -5.167 3.689 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.036 -5.653 4.779 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.390 -3.799 3.420 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.802 -4.818 5.556 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.168 -2.962 4.199 1.00 0.00 C ATOM 1474 CZ TYR A 94 3.873 -3.485 5.267 1.00 0.00 C ATOM 1475 OH TYR A 94 4.634 -2.672 6.066 1.00 0.00 O ATOM 0 H TYR A 94 2.942 -8.083 2.476 1.00 0.00 H new ATOM 0 HA TYR A 94 1.001 -7.387 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.842 -6.209 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.431 -5.605 2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.000 -6.707 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.841 -3.387 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.349 -5.217 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.224 -1.907 3.975 1.00 0.00 H new ATOM 0 HH TYR A 94 5.380 -3.186 6.439 1.00 0.00 H new ATOM 1485 N ALA A 95 0.000 -9.181 2.054 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.147 -9.986 1.550 1.00 0.00 C ATOM 1487 C ALA A 95 -1.897 -10.724 2.677 1.00 0.00 C ATOM 1488 O ALA A 95 -3.061 -11.106 2.513 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.657 -10.981 0.493 1.00 0.00 C ATOM 0 H ALA A 95 0.901 -9.473 1.675 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.859 -9.293 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.500 -11.568 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.206 -10.437 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.084 -11.647 0.936 1.00 0.00 H new ATOM 1495 N GLN A 96 -1.215 -10.907 3.814 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.773 -11.581 5.003 1.00 0.00 C ATOM 1497 C GLN A 96 -1.973 -10.543 6.137 1.00 0.00 C ATOM 1498 O GLN A 96 -1.461 -9.421 6.019 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.823 -12.734 5.443 1.00 0.00 C ATOM 1500 CG GLN A 96 0.517 -12.281 6.049 1.00 0.00 C ATOM 1501 CD GLN A 96 1.437 -13.435 6.445 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.450 -14.490 5.810 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.213 -13.244 7.500 1.00 0.00 N ATOM 0 H GLN A 96 -0.253 -10.591 3.940 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.744 -12.017 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.343 -13.354 6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.618 -13.365 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.035 -11.647 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.319 -11.669 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.179 -12.358 8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.845 -13.982 7.808 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.743 -10.886 7.237 1.00 0.00 N ATOM 1513 CA PRO A 97 -2.802 -10.061 8.478 1.00 0.00 C ATOM 1514 C PRO A 97 -1.386 -9.692 9.011 1.00 0.00 C ATOM 1515 O PRO A 97 -0.651 -10.548 9.518 1.00 0.00 O ATOM 1516 CB PRO A 97 -3.604 -10.957 9.484 1.00 0.00 C ATOM 1517 CG PRO A 97 -3.707 -12.305 8.827 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.674 -12.043 7.338 1.00 0.00 C ATOM 0 HA PRO A 97 -3.278 -9.094 8.313 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.091 -11.026 10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.592 -10.540 9.680 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.882 -12.951 9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.629 -12.810 9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.310 -12.907 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.663 -11.804 6.946 1.00 0.00 H new ATOM 1526 N ASN A 98 -1.010 -8.419 8.810 1.00 0.00 N ATOM 1527 CA ASN A 98 0.331 -7.896 9.131 1.00 0.00 C ATOM 1528 C ASN A 98 0.390 -7.333 10.564 1.00 0.00 C ATOM 1529 O ASN A 98 1.304 -7.704 11.308 1.00 0.00 O ATOM 1530 CB ASN A 98 0.726 -6.824 8.087 1.00 0.00 C ATOM 1531 CG ASN A 98 2.076 -6.165 8.370 1.00 0.00 C ATOM 1532 OD1 ASN A 98 2.143 -5.086 8.965 1.00 0.00 O ATOM 1533 ND2 ASN A 98 3.154 -6.825 7.968 1.00 0.00 N ATOM 0 H ASN A 98 -1.634 -7.715 8.416 1.00 0.00 H new ATOM 0 HA ASN A 98 1.048 -8.715 9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.755 -7.284 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.046 -6.055 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.082 -6.443 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.054 -7.715 7.479 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.582 -6.432 10.879 1.00 0.00 N ATOM 1541 CA GLN A 99 -0.792 -5.698 12.172 1.00 0.00 C ATOM 1542 C GLN A 99 -0.449 -4.208 11.956 1.00 0.00 C ATOM 1543 O GLN A 99 0.731 -3.835 11.908 1.00 0.00 O ATOM 1544 CB GLN A 99 -0.038 -6.274 13.422 1.00 0.00 C ATOM 1545 CG GLN A 99 -0.434 -5.650 14.784 1.00 0.00 C ATOM 1546 CD GLN A 99 0.414 -6.142 15.963 1.00 0.00 C ATOM 1547 OE1 GLN A 99 1.599 -6.447 15.816 1.00 0.00 O ATOM 1548 NE2 GLN A 99 -0.198 -6.250 17.132 1.00 0.00 N ATOM 0 H GLN A 99 -1.292 -6.178 10.192 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.843 -5.834 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.216 -7.348 13.469 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.033 -6.134 13.275 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.348 -4.566 14.715 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.482 -5.874 14.984 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.180 -5.989 17.220 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.313 -6.594 17.945 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.500 -3.377 11.789 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.357 -1.935 11.511 1.00 0.00 C ATOM 1559 C GLY A 100 -1.954 -1.528 10.163 1.00 0.00 C ATOM 1560 O GLY A 100 -2.197 -0.339 9.907 1.00 0.00 O ATOM 0 H GLY A 100 -2.470 -3.688 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.843 -1.367 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.300 -1.669 11.530 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.165 -2.535 9.300 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.810 -2.342 7.991 1.00 0.00 C ATOM 1566 C LEU A 101 -4.335 -2.198 8.143 1.00 0.00 C ATOM 1567 O LEU A 101 -4.949 -2.847 9.001 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.522 -3.515 7.016 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.038 -3.766 6.603 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -0.955 -4.839 5.500 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.318 -2.469 6.186 1.00 0.00 C ATOM 0 H LEU A 101 -1.895 -3.500 9.488 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.387 -1.427 7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.903 -4.430 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.099 -3.345 6.107 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.514 -4.139 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.088 -4.999 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.381 -5.772 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.513 -4.505 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.711 -2.697 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.834 -2.024 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.321 -1.767 7.020 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.926 -1.335 7.298 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.389 -1.296 7.086 1.00 0.00 C ATOM 1585 C VAL A 102 -6.813 -2.504 6.204 1.00 0.00 C ATOM 1586 O VAL A 102 -7.061 -2.377 5.006 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.886 0.093 6.510 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.709 1.221 7.567 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.177 0.471 5.180 1.00 0.00 C ATOM 0 H VAL A 102 -4.411 -0.649 6.746 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.884 -1.386 8.053 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.947 -0.016 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.056 2.167 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -7.291 0.980 8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.656 1.307 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -6.553 1.431 4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.102 0.542 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.377 -0.295 4.431 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.751 -3.690 6.845 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.078 -5.019 6.279 1.00 0.00 C ATOM 1601 C CYS A 103 -5.921 -5.542 5.413 1.00 0.00 C ATOM 1602 O CYS A 103 -4.880 -4.881 5.280 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.439 -5.060 5.511 1.00 0.00 C ATOM 1604 SG CYS A 103 -8.386 -4.510 3.787 1.00 0.00 S ATOM 0 H CYS A 103 -6.457 -3.752 7.820 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.208 -5.689 7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.818 -6.082 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.157 -4.441 6.049 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.873 -3.317 3.728 1.00 0.00 H new ATOM 1610 N ALA A 104 -6.098 -6.746 4.851 1.00 0.00 N ATOM 1611 CA ALA A 104 -5.075 -7.417 4.031 1.00 0.00 C ATOM 1612 C ALA A 104 -5.148 -6.944 2.565 1.00 0.00 C ATOM 1613 O ALA A 104 -5.956 -6.075 2.209 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.248 -8.949 4.140 1.00 0.00 C ATOM 0 H ALA A 104 -6.958 -7.285 4.952 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.086 -7.152 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.491 -9.445 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.136 -9.255 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.239 -9.229 3.784 1.00 0.00 H new ATOM 1620 N LEU A 105 -4.284 -7.524 1.724 1.00 0.00 N ATOM 1621 CA LEU A 105 -4.294 -7.270 0.276 1.00 0.00 C ATOM 1622 C LEU A 105 -5.166 -8.346 -0.391 1.00 0.00 C ATOM 1623 O LEU A 105 -4.776 -9.514 -0.452 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.857 -7.249 -0.308 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.832 -6.287 0.393 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.514 -6.206 -0.400 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.423 -4.881 0.671 1.00 0.00 C ATOM 0 H LEU A 105 -3.562 -8.179 2.024 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.714 -6.284 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.457 -8.262 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.920 -6.973 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.610 -6.720 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.176 -5.533 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.069 -7.199 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.715 -5.829 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.670 -4.259 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.723 -4.420 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.292 -4.974 1.323 1.00 0.00 H new ATOM 1639 N LEU A 106 -6.372 -7.951 -0.828 1.00 0.00 N ATOM 1640 CA LEU A 106 -7.366 -8.873 -1.414 1.00 0.00 C ATOM 1641 C LEU A 106 -7.301 -8.844 -2.951 1.00 0.00 C ATOM 1642 O LEU A 106 -7.080 -9.884 -3.576 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.813 -8.533 -0.920 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.217 -9.034 0.510 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.089 -10.565 0.622 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -8.436 -8.324 1.636 1.00 0.00 C ATOM 0 H LEU A 106 -6.689 -6.982 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.122 -9.881 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.933 -7.450 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.521 -8.949 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.265 -8.769 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.376 -10.882 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.743 -11.039 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.057 -10.859 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.758 -8.712 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.369 -8.506 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.629 -7.252 1.593 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.471 -7.649 -3.554 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.653 -7.511 -5.022 1.00 0.00 C ATOM 1660 C LEU A 107 -6.752 -6.390 -5.601 1.00 0.00 C ATOM 1661 O LEU A 107 -6.498 -5.385 -4.926 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.171 -7.311 -5.344 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.894 -6.051 -4.736 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -9.757 -4.793 -5.629 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.377 -6.352 -4.443 1.00 0.00 C ATOM 0 H LEU A 107 -7.487 -6.762 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.331 -8.427 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.280 -7.268 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.705 -8.199 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.389 -5.828 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.274 -3.956 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.702 -4.546 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.198 -4.991 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.852 -5.465 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.881 -6.631 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.448 -7.173 -3.729 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.269 -6.552 -6.876 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.259 -5.651 -7.481 1.00 0.00 C ATOM 1679 C PRO A 108 -5.807 -4.288 -7.983 1.00 0.00 C ATOM 1680 O PRO A 108 -5.004 -3.429 -8.309 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.723 -6.515 -8.650 1.00 0.00 C ATOM 1682 CG PRO A 108 -5.911 -7.291 -9.098 1.00 0.00 C ATOM 1683 CD PRO A 108 -6.655 -7.640 -7.825 1.00 0.00 C ATOM 0 HA PRO A 108 -4.511 -5.338 -6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.324 -5.896 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.917 -7.172 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.535 -6.703 -9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.614 -8.189 -9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -7.733 -7.666 -7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.365 -8.621 -7.448 1.00 0.00 H new ATOM 1691 N VAL A 109 -7.156 -4.116 -8.068 1.00 0.00 N ATOM 1692 CA VAL A 109 -7.838 -2.847 -8.498 1.00 0.00 C ATOM 1693 C VAL A 109 -7.890 -2.786 -10.054 1.00 0.00 C ATOM 1694 O VAL A 109 -8.874 -3.298 -10.633 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.231 -1.494 -7.908 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -8.109 -0.261 -8.257 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -6.998 -1.588 -6.386 1.00 0.00 C ATOM 1698 OXT VAL A 109 -6.942 -2.267 -10.689 1.00 0.00 O ATOM 0 H VAL A 109 -7.814 -4.860 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.839 -2.901 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.262 -1.354 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.658 0.638 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.178 -0.159 -9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.107 -0.396 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.584 -0.647 -6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.945 -1.786 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.300 -2.398 -6.174 1.00 0.00 H new