USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 499 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -79:sc= 1.31 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= -0.107 (180deg=-0.61) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-0.00199 X(o=-0.002,f=-0.19) USER MOD Single : A 68 GLN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.652 K(o=-0.65,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.322 -16.858 -8.552 1.00 0.00 N ATOM 192 CA VAL A 10 7.679 -15.699 -7.945 1.00 0.00 C ATOM 193 C VAL A 10 7.600 -14.537 -8.929 1.00 0.00 C ATOM 194 O VAL A 10 8.481 -14.359 -9.770 1.00 0.00 O ATOM 195 CB VAL A 10 8.431 -15.238 -6.683 1.00 0.00 C ATOM 196 CG1 VAL A 10 9.826 -14.748 -7.040 1.00 0.00 C ATOM 197 CG2 VAL A 10 7.645 -14.153 -5.962 1.00 0.00 C ATOM 0 HA VAL A 10 6.671 -16.005 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 10 8.533 -16.090 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.341 -14.427 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.387 -15.556 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.751 -13.909 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.191 -13.839 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.511 -13.299 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.670 -14.543 -5.670 1.00 0.00 H new ATOM 207 N LYS A 11 6.537 -13.747 -8.818 1.00 0.00 N ATOM 208 CA LYS A 11 6.341 -12.599 -9.696 1.00 0.00 C ATOM 209 C LYS A 11 5.906 -11.373 -8.900 1.00 0.00 C ATOM 210 O LYS A 11 4.917 -11.414 -8.169 1.00 0.00 O ATOM 211 CB LYS A 11 5.296 -12.922 -10.766 1.00 0.00 C ATOM 212 CG LYS A 11 5.235 -11.897 -11.885 1.00 0.00 C ATOM 213 CD LYS A 11 6.412 -12.038 -12.836 1.00 0.00 C ATOM 214 CE LYS A 11 6.243 -13.237 -13.758 1.00 0.00 C ATOM 215 NZ LYS A 11 5.342 -12.933 -14.903 1.00 0.00 N ATOM 0 H LYS A 11 5.798 -13.881 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 11 7.292 -12.377 -10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.516 -13.901 -11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.316 -12.992 -10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.303 -12.016 -12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.228 -10.893 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.511 -11.131 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.333 -12.145 -12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.218 -13.545 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.840 -14.077 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.253 -13.775 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.404 -12.663 -14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.739 -12.149 -15.458 1.00 0.00 H new ATOM 229 N VAL A 12 6.651 -10.282 -9.048 1.00 0.00 N ATOM 230 CA VAL A 12 6.341 -9.043 -8.344 1.00 0.00 C ATOM 231 C VAL A 12 5.648 -8.047 -9.266 1.00 0.00 C ATOM 232 O VAL A 12 5.952 -7.970 -10.457 1.00 0.00 O ATOM 233 CB VAL A 12 7.612 -8.393 -7.766 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.273 -7.081 -7.074 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.309 -9.346 -6.807 1.00 0.00 C ATOM 0 H VAL A 12 7.473 -10.231 -9.649 1.00 0.00 H new ATOM 0 HA VAL A 12 5.671 -9.303 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 12 8.295 -8.177 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.183 -6.636 -6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.821 -6.397 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.571 -7.269 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.205 -8.870 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.635 -9.595 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.587 -10.257 -7.337 1.00 0.00 H new ATOM 245 N VAL A 13 4.713 -7.283 -8.708 1.00 0.00 N ATOM 246 CA VAL A 13 3.977 -6.289 -9.480 1.00 0.00 C ATOM 247 C VAL A 13 4.143 -4.897 -8.882 1.00 0.00 C ATOM 248 O VAL A 13 4.157 -4.731 -7.662 1.00 0.00 O ATOM 249 CB VAL A 13 2.477 -6.631 -9.549 1.00 0.00 C ATOM 250 CG1 VAL A 13 1.769 -5.730 -10.549 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.281 -8.097 -9.907 1.00 0.00 C ATOM 0 H VAL A 13 4.448 -7.334 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 13 4.391 -6.300 -10.488 1.00 0.00 H new ATOM 0 HB VAL A 13 2.037 -6.459 -8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.710 -5.987 -10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.880 -4.690 -10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.208 -5.867 -11.537 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.215 -8.321 -9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.735 -8.298 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.752 -8.723 -9.149 1.00 0.00 H new ATOM 261 N TYR A 14 4.267 -3.898 -9.749 1.00 0.00 N ATOM 262 CA TYR A 14 4.433 -2.518 -9.307 1.00 0.00 C ATOM 263 C TYR A 14 3.427 -1.601 -9.994 1.00 0.00 C ATOM 264 O TYR A 14 3.291 -1.615 -11.218 1.00 0.00 O ATOM 265 CB TYR A 14 5.857 -2.038 -9.592 1.00 0.00 C ATOM 266 CG TYR A 14 6.914 -3.087 -9.333 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.504 -3.214 -8.081 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.323 -3.953 -10.340 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.470 -4.171 -7.841 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.288 -4.914 -10.108 1.00 0.00 C ATOM 271 CZ TYR A 14 8.859 -5.019 -8.857 1.00 0.00 C ATOM 272 OH TYR A 14 9.820 -5.974 -8.620 1.00 0.00 O ATOM 0 H TYR A 14 4.256 -4.018 -10.762 1.00 0.00 H new ATOM 0 HA TYR A 14 4.253 -2.483 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.922 -1.718 -10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.067 -1.164 -8.976 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.202 -2.553 -7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.879 -3.873 -11.321 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.919 -4.255 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.594 -5.579 -10.902 1.00 0.00 H new ATOM 0 HH TYR A 14 9.978 -6.489 -9.439 1.00 0.00 H new ATOM 282 N LEU A 15 2.724 -0.803 -9.198 1.00 0.00 N ATOM 283 CA LEU A 15 1.729 0.123 -9.728 1.00 0.00 C ATOM 284 C LEU A 15 2.026 1.553 -9.286 1.00 0.00 C ATOM 285 O LEU A 15 2.697 1.774 -8.277 1.00 0.00 O ATOM 286 CB LEU A 15 0.328 -0.284 -9.269 1.00 0.00 C ATOM 287 CG LEU A 15 0.027 -1.783 -9.284 1.00 0.00 C ATOM 288 CD1 LEU A 15 0.492 -2.434 -7.990 1.00 0.00 C ATOM 289 CD2 LEU A 15 -1.460 -2.026 -9.500 1.00 0.00 C ATOM 0 H LEU A 15 2.824 -0.778 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 15 1.774 0.082 -10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.177 0.087 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.401 0.219 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 15 0.573 -2.235 -10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.269 -3.501 -8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.566 -2.290 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.026 -1.978 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.656 -3.098 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.026 -1.560 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.764 -1.594 -10.454 1.00 0.00 H new ATOM 301 N ARG A 16 1.520 2.519 -10.045 1.00 0.00 N ATOM 302 CA ARG A 16 1.730 3.927 -9.730 1.00 0.00 C ATOM 303 C ARG A 16 0.421 4.593 -9.316 1.00 0.00 C ATOM 304 O ARG A 16 -0.528 4.658 -10.099 1.00 0.00 O ATOM 305 CB ARG A 16 2.327 4.657 -10.935 1.00 0.00 C ATOM 306 CG ARG A 16 3.821 4.434 -11.103 1.00 0.00 C ATOM 307 CD ARG A 16 4.482 5.603 -11.816 1.00 0.00 C ATOM 308 NE ARG A 16 4.360 5.500 -13.267 1.00 0.00 N ATOM 309 CZ ARG A 16 5.195 4.800 -14.027 1.00 0.00 C ATOM 310 NH1 ARG A 16 6.207 4.145 -13.476 1.00 0.00 N ATOM 311 NH2 ARG A 16 5.018 4.754 -15.341 1.00 0.00 N ATOM 0 H ARG A 16 0.962 2.353 -10.882 1.00 0.00 H new ATOM 0 HA ARG A 16 2.428 3.987 -8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.815 4.327 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.137 5.725 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.282 4.296 -10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.992 3.518 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.029 6.536 -11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.536 5.644 -11.543 1.00 0.00 H new ATOM 0 HE ARG A 16 3.592 5.992 -13.722 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.346 4.178 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.847 3.608 -14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.240 5.256 -15.769 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.660 4.216 -15.924 1.00 0.00 H new ATOM 325 N CYS A 17 0.378 5.084 -8.083 1.00 0.00 N ATOM 326 CA CYS A 17 -0.815 5.743 -7.564 1.00 0.00 C ATOM 327 C CYS A 17 -0.470 6.636 -6.376 1.00 0.00 C ATOM 328 O CYS A 17 0.605 6.517 -5.787 1.00 0.00 O ATOM 329 CB CYS A 17 -1.859 4.704 -7.151 1.00 0.00 C ATOM 330 SG CYS A 17 -1.345 3.649 -5.776 1.00 0.00 S ATOM 0 H CYS A 17 1.155 5.038 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.229 6.367 -8.356 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.779 5.219 -6.876 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.090 4.075 -8.011 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.294 2.805 -5.498 1.00 0.00 H new ATOM 336 N THR A 18 -1.389 7.532 -6.030 1.00 0.00 N ATOM 337 CA THR A 18 -1.181 8.447 -4.914 1.00 0.00 C ATOM 338 C THR A 18 -1.566 7.797 -3.590 1.00 0.00 C ATOM 339 O THR A 18 -2.544 7.053 -3.514 1.00 0.00 O ATOM 340 CB THR A 18 -1.994 9.743 -5.092 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.680 10.349 -6.351 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.703 10.723 -3.966 1.00 0.00 C ATOM 0 H THR A 18 -2.284 7.644 -6.506 1.00 0.00 H new ATOM 0 HA THR A 18 -0.119 8.692 -4.900 1.00 0.00 H new ATOM 0 HB THR A 18 -3.053 9.488 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.202 11.171 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.288 11.631 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.970 10.270 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.642 10.972 -3.965 1.00 0.00 H new ATOM 350 N GLY A 19 -0.792 8.082 -2.548 1.00 0.00 N ATOM 351 CA GLY A 19 -1.069 7.517 -1.241 1.00 0.00 C ATOM 352 C GLY A 19 -2.465 7.849 -0.750 1.00 0.00 C ATOM 353 O GLY A 19 -3.105 8.770 -1.254 1.00 0.00 O ATOM 0 H GLY A 19 0.023 8.695 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.950 6.434 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.337 7.890 -0.525 1.00 0.00 H new ATOM 357 N GLY A 20 -2.939 7.093 0.236 1.00 0.00 N ATOM 358 CA GLY A 20 -4.265 7.326 0.777 1.00 0.00 C ATOM 359 C GLY A 20 -5.258 7.752 -0.286 1.00 0.00 C ATOM 360 O GLY A 20 -5.975 8.738 -0.115 1.00 0.00 O ATOM 0 H GLY A 20 -2.428 6.324 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.622 6.416 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.210 8.095 1.547 1.00 0.00 H new ATOM 364 N GLU A 21 -5.299 7.009 -1.387 1.00 0.00 N ATOM 365 CA GLU A 21 -6.210 7.318 -2.483 1.00 0.00 C ATOM 366 C GLU A 21 -7.124 6.133 -2.782 1.00 0.00 C ATOM 367 O GLU A 21 -6.784 5.258 -3.579 1.00 0.00 O ATOM 368 CB GLU A 21 -5.423 7.699 -3.739 1.00 0.00 C ATOM 369 CG GLU A 21 -6.304 8.072 -4.920 1.00 0.00 C ATOM 370 CD GLU A 21 -5.502 8.413 -6.160 1.00 0.00 C ATOM 371 OE1 GLU A 21 -5.191 7.489 -6.940 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.185 9.606 -6.352 1.00 0.00 O ATOM 0 H GLU A 21 -4.713 6.189 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.828 8.164 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.768 8.538 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.783 6.864 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.976 7.244 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.927 8.924 -4.649 1.00 0.00 H new ATOM 437 N ALA A 27 -10.914 -1.165 -11.781 1.00 0.00 N ATOM 438 CA ALA A 27 -9.768 -1.620 -12.559 1.00 0.00 C ATOM 439 C ALA A 27 -9.088 -2.810 -11.890 1.00 0.00 C ATOM 440 O ALA A 27 -8.493 -3.655 -12.559 1.00 0.00 O ATOM 441 CB ALA A 27 -8.776 -0.482 -12.751 1.00 0.00 C ATOM 0 HA ALA A 27 -10.128 -1.943 -13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.925 -0.835 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.262 0.339 -13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.430 -0.133 -11.778 1.00 0.00 H new ATOM 447 N LEU A 28 -9.180 -2.870 -10.566 1.00 0.00 N ATOM 448 CA LEU A 28 -8.573 -3.957 -9.806 1.00 0.00 C ATOM 449 C LEU A 28 -9.468 -5.192 -9.810 1.00 0.00 C ATOM 450 O LEU A 28 -9.000 -6.311 -9.606 1.00 0.00 O ATOM 451 CB LEU A 28 -8.306 -3.512 -8.366 1.00 0.00 C ATOM 452 CG LEU A 28 -7.492 -2.228 -8.201 1.00 0.00 C ATOM 453 CD1 LEU A 28 -7.675 -1.657 -6.803 1.00 0.00 C ATOM 454 CD2 LEU A 28 -6.020 -2.490 -8.483 1.00 0.00 C ATOM 0 H LEU A 28 -9.669 -2.179 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.627 -4.215 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.264 -3.378 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.785 -4.318 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.855 -1.495 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.089 -0.744 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.728 -1.432 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.339 -2.386 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.456 -1.565 -8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.644 -3.239 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.904 -2.853 -9.504 1.00 0.00 H new ATOM 466 N ALA A 29 -10.759 -4.979 -10.048 1.00 0.00 N ATOM 467 CA ALA A 29 -11.719 -6.075 -10.084 1.00 0.00 C ATOM 468 C ALA A 29 -11.299 -7.140 -11.091 1.00 0.00 C ATOM 469 O ALA A 29 -11.125 -8.312 -10.755 1.00 0.00 O ATOM 470 CB ALA A 29 -13.108 -5.549 -10.417 1.00 0.00 C ATOM 0 H ALA A 29 -11.163 -4.058 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.744 -6.536 -9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.815 -6.378 -10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.417 -4.830 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.088 -5.061 -11.392 1.00 0.00 H new ATOM 476 N PRO A 30 -11.133 -6.727 -12.356 1.00 0.00 N ATOM 477 CA PRO A 30 -10.732 -7.631 -13.438 1.00 0.00 C ATOM 478 C PRO A 30 -9.287 -8.098 -13.298 1.00 0.00 C ATOM 479 O PRO A 30 -8.896 -9.118 -13.864 1.00 0.00 O ATOM 480 CB PRO A 30 -10.897 -6.774 -14.696 1.00 0.00 C ATOM 481 CG PRO A 30 -10.754 -5.370 -14.219 1.00 0.00 C ATOM 482 CD PRO A 30 -11.324 -5.345 -12.828 1.00 0.00 C ATOM 0 HA PRO A 30 -11.326 -8.545 -13.447 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.141 -7.017 -15.443 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.869 -6.937 -15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.708 -5.063 -14.218 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.288 -4.680 -14.872 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.803 -4.628 -12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.377 -5.063 -12.830 1.00 0.00 H new ATOM 490 N LYS A 31 -8.498 -7.344 -12.539 1.00 0.00 N ATOM 491 CA LYS A 31 -7.096 -7.681 -12.322 1.00 0.00 C ATOM 492 C LYS A 31 -6.960 -8.828 -11.325 1.00 0.00 C ATOM 493 O LYS A 31 -6.198 -9.769 -11.548 1.00 0.00 O ATOM 494 CB LYS A 31 -6.329 -6.458 -11.816 1.00 0.00 C ATOM 495 CG LYS A 31 -6.266 -5.321 -12.821 1.00 0.00 C ATOM 496 CD LYS A 31 -5.089 -5.478 -13.768 1.00 0.00 C ATOM 497 CE LYS A 31 -5.471 -6.281 -15.003 1.00 0.00 C ATOM 498 NZ LYS A 31 -4.643 -5.910 -16.183 1.00 0.00 N ATOM 0 H LYS A 31 -8.806 -6.496 -12.064 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.673 -7.999 -13.275 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.799 -6.097 -10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.314 -6.758 -11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.193 -5.289 -13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.185 -4.371 -12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.729 -4.494 -14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.267 -5.973 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.352 -7.345 -14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.524 -6.117 -15.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.934 -6.479 -17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.776 -4.901 -16.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.640 -6.091 -15.974 1.00 0.00 H new ATOM 512 N ILE A 32 -7.704 -8.743 -10.227 1.00 0.00 N ATOM 513 CA ILE A 32 -7.668 -9.775 -9.199 1.00 0.00 C ATOM 514 C ILE A 32 -8.766 -10.810 -9.419 1.00 0.00 C ATOM 515 O ILE A 32 -8.733 -11.897 -8.844 1.00 0.00 O ATOM 516 CB ILE A 32 -7.822 -9.172 -7.790 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.852 -8.003 -7.603 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.588 -10.237 -6.729 1.00 0.00 C ATOM 519 CD1 ILE A 32 -7.141 -7.168 -6.376 1.00 0.00 C ATOM 0 H ILE A 32 -8.339 -7.970 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.695 -10.260 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.839 -8.796 -7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.836 -8.392 -7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.892 -7.364 -8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.700 -9.795 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.315 -11.040 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.581 -10.640 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.414 -6.358 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.145 -6.750 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.072 -7.793 -5.486 1.00 0.00 H new ATOM 531 N GLY A 33 -9.737 -10.464 -10.259 1.00 0.00 N ATOM 532 CA GLY A 33 -10.831 -11.375 -10.542 1.00 0.00 C ATOM 533 C GLY A 33 -10.364 -12.806 -10.717 1.00 0.00 C ATOM 534 O GLY A 33 -10.776 -13.710 -9.989 1.00 0.00 O ATOM 0 H GLY A 33 -9.786 -9.570 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.557 -11.330 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.345 -11.051 -11.447 1.00 0.00 H new ATOM 538 N PRO A 34 -9.483 -13.029 -11.704 1.00 0.00 N ATOM 539 CA PRO A 34 -8.941 -14.359 -11.996 1.00 0.00 C ATOM 540 C PRO A 34 -7.994 -14.851 -10.907 1.00 0.00 C ATOM 541 O PRO A 34 -7.904 -16.051 -10.643 1.00 0.00 O ATOM 542 CB PRO A 34 -8.184 -14.153 -13.310 1.00 0.00 C ATOM 543 CG PRO A 34 -7.827 -12.707 -13.319 1.00 0.00 C ATOM 544 CD PRO A 34 -8.948 -11.999 -12.610 1.00 0.00 C ATOM 0 HA PRO A 34 -9.724 -15.115 -12.054 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.294 -14.781 -13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.803 -14.413 -14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.876 -12.537 -12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.716 -12.339 -14.339 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.590 -11.128 -12.061 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.706 -11.646 -13.309 1.00 0.00 H new ATOM 552 N LEU A 35 -7.289 -13.918 -10.277 1.00 0.00 N ATOM 553 CA LEU A 35 -6.348 -14.257 -9.215 1.00 0.00 C ATOM 554 C LEU A 35 -7.037 -15.052 -8.110 1.00 0.00 C ATOM 555 O LEU A 35 -6.542 -16.092 -7.679 1.00 0.00 O ATOM 556 CB LEU A 35 -5.726 -12.986 -8.633 1.00 0.00 C ATOM 557 CG LEU A 35 -4.438 -12.503 -9.300 1.00 0.00 C ATOM 558 CD1 LEU A 35 -4.688 -12.167 -10.762 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.876 -11.296 -8.563 1.00 0.00 C ATOM 0 H LEU A 35 -7.351 -12.921 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.560 -14.876 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.463 -12.185 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.522 -13.156 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.704 -13.307 -9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.760 -11.825 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.045 -13.055 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.439 -11.380 -10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.959 -10.966 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.607 -10.488 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.659 -11.569 -7.530 1.00 0.00 H new ATOM 571 N GLY A 36 -8.184 -14.555 -7.657 1.00 0.00 N ATOM 572 CA GLY A 36 -8.923 -15.232 -6.608 1.00 0.00 C ATOM 573 C GLY A 36 -9.303 -14.302 -5.473 1.00 0.00 C ATOM 574 O GLY A 36 -10.484 -14.131 -5.169 1.00 0.00 O ATOM 0 H GLY A 36 -8.614 -13.695 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.826 -15.672 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.322 -16.052 -6.216 1.00 0.00 H new ATOM 578 N LEU A 37 -8.300 -13.701 -4.843 1.00 0.00 N ATOM 579 CA LEU A 37 -8.534 -12.784 -3.733 1.00 0.00 C ATOM 580 C LEU A 37 -9.522 -11.691 -4.128 1.00 0.00 C ATOM 581 O LEU A 37 -10.045 -11.687 -5.242 1.00 0.00 O ATOM 582 CB LEU A 37 -7.215 -12.155 -3.278 1.00 0.00 C ATOM 583 CG LEU A 37 -6.230 -13.093 -2.581 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.500 -13.954 -3.600 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.238 -12.299 -1.743 1.00 0.00 C ATOM 0 H LEU A 37 -7.317 -13.832 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.962 -13.354 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.721 -11.724 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.443 -11.332 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.792 -13.750 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.803 -14.615 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.223 -14.551 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.950 -13.314 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.545 -12.984 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.682 -11.617 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.776 -11.727 -0.987 1.00 0.00 H new ATOM 597 N SER A 38 -9.771 -10.765 -3.208 1.00 0.00 N ATOM 598 CA SER A 38 -10.698 -9.667 -3.460 1.00 0.00 C ATOM 599 C SER A 38 -9.961 -8.332 -3.497 1.00 0.00 C ATOM 600 O SER A 38 -9.015 -8.094 -2.745 1.00 0.00 O ATOM 601 CB SER A 38 -11.785 -9.632 -2.383 1.00 0.00 C ATOM 602 OG SER A 38 -12.413 -10.895 -2.253 1.00 0.00 O ATOM 0 H SER A 38 -9.344 -10.753 -2.282 1.00 0.00 H new ATOM 0 HA SER A 38 -11.164 -9.833 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.347 -9.340 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.529 -8.877 -2.637 1.00 0.00 H new ATOM 0 HG SER A 38 -13.102 -10.848 -1.558 1.00 0.00 H new ATOM 608 N PRO A 39 -10.403 -7.438 -4.394 1.00 0.00 N ATOM 609 CA PRO A 39 -9.800 -6.111 -4.553 1.00 0.00 C ATOM 610 C PRO A 39 -10.081 -5.201 -3.362 1.00 0.00 C ATOM 611 O PRO A 39 -9.269 -4.342 -3.018 1.00 0.00 O ATOM 612 CB PRO A 39 -10.474 -5.564 -5.814 1.00 0.00 C ATOM 613 CG PRO A 39 -11.775 -6.285 -5.891 1.00 0.00 C ATOM 614 CD PRO A 39 -11.525 -7.654 -5.323 1.00 0.00 C ATOM 0 HA PRO A 39 -8.713 -6.162 -4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.622 -4.486 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.866 -5.749 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.545 -5.762 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.126 -6.348 -6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.404 -8.042 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.269 -8.372 -6.102 1.00 0.00 H new ATOM 622 N LYS A 40 -11.236 -5.395 -2.734 1.00 0.00 N ATOM 623 CA LYS A 40 -11.625 -4.594 -1.580 1.00 0.00 C ATOM 624 C LYS A 40 -10.619 -4.752 -0.444 1.00 0.00 C ATOM 625 O LYS A 40 -10.129 -3.766 0.108 1.00 0.00 O ATOM 626 CB LYS A 40 -13.020 -4.997 -1.099 1.00 0.00 C ATOM 627 CG LYS A 40 -13.113 -6.444 -0.646 1.00 0.00 C ATOM 628 CD LYS A 40 -14.555 -6.921 -0.593 1.00 0.00 C ATOM 629 CE LYS A 40 -15.095 -7.216 -1.984 1.00 0.00 C ATOM 630 NZ LYS A 40 -16.199 -8.215 -1.950 1.00 0.00 N ATOM 0 H LYS A 40 -11.920 -6.101 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.641 -3.548 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.312 -4.347 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.735 -4.831 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.545 -7.077 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.658 -6.548 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.620 -7.819 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.173 -6.161 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.455 -6.292 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.288 -7.588 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.540 -8.389 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.849 -9.105 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.980 -7.850 -1.368 1.00 0.00 H new ATOM 644 N LYS A 41 -10.313 -5.999 -0.101 1.00 0.00 N ATOM 645 CA LYS A 41 -9.363 -6.287 0.967 1.00 0.00 C ATOM 646 C LYS A 41 -7.979 -5.742 0.627 1.00 0.00 C ATOM 647 O LYS A 41 -7.335 -5.097 1.453 1.00 0.00 O ATOM 648 CB LYS A 41 -9.282 -7.796 1.212 1.00 0.00 C ATOM 649 CG LYS A 41 -8.887 -8.161 2.633 1.00 0.00 C ATOM 650 CD LYS A 41 -10.012 -7.878 3.615 1.00 0.00 C ATOM 651 CE LYS A 41 -11.038 -9.001 3.626 1.00 0.00 C ATOM 652 NZ LYS A 41 -12.332 -8.564 4.218 1.00 0.00 N ATOM 0 H LYS A 41 -10.709 -6.826 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.715 -5.795 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.249 -8.245 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.560 -8.230 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.621 -9.217 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.000 -7.596 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.599 -7.751 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.500 -6.940 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.204 -9.351 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.646 -9.845 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.004 -9.357 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.178 -8.254 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.719 -7.775 3.662 1.00 0.00 H new ATOM 666 N VAL A 42 -7.529 -6.005 -0.596 1.00 0.00 N ATOM 667 CA VAL A 42 -6.223 -5.539 -1.047 1.00 0.00 C ATOM 668 C VAL A 42 -6.168 -4.016 -1.089 1.00 0.00 C ATOM 669 O VAL A 42 -5.150 -3.412 -0.755 1.00 0.00 O ATOM 670 CB VAL A 42 -5.881 -6.093 -2.443 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.539 -5.555 -2.916 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.878 -7.614 -2.426 1.00 0.00 C ATOM 0 H VAL A 42 -8.050 -6.538 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.490 -5.907 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.647 -5.762 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.314 -5.957 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.581 -4.467 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.759 -5.855 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.635 -7.988 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.134 -7.968 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.863 -7.977 -2.133 1.00 0.00 H new ATOM 682 N GLY A 43 -7.272 -3.400 -1.501 1.00 0.00 N ATOM 683 CA GLY A 43 -7.329 -1.952 -1.579 1.00 0.00 C ATOM 684 C GLY A 43 -7.201 -1.293 -0.220 1.00 0.00 C ATOM 685 O GLY A 43 -6.555 -0.254 -0.085 1.00 0.00 O ATOM 0 H GLY A 43 -8.128 -3.878 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.531 -1.595 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.272 -1.653 -2.037 1.00 0.00 H new ATOM 689 N ASP A 44 -7.819 -1.897 0.789 1.00 0.00 N ATOM 690 CA ASP A 44 -7.772 -1.362 2.144 1.00 0.00 C ATOM 691 C ASP A 44 -6.361 -1.453 2.716 1.00 0.00 C ATOM 692 O ASP A 44 -5.880 -0.521 3.361 1.00 0.00 O ATOM 693 CB ASP A 44 -8.752 -2.115 3.047 1.00 0.00 C ATOM 694 CG ASP A 44 -8.402 -1.984 4.516 1.00 0.00 C ATOM 695 OD1 ASP A 44 -8.845 -1.000 5.145 1.00 0.00 O ATOM 696 OD2 ASP A 44 -7.686 -2.864 5.037 1.00 0.00 O ATOM 0 H ASP A 44 -8.358 -2.757 0.694 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.061 -0.312 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.760 -1.735 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.760 -3.169 2.771 1.00 0.00 H new ATOM 701 N ASP A 45 -5.703 -2.582 2.477 1.00 0.00 N ATOM 702 CA ASP A 45 -4.347 -2.796 2.968 1.00 0.00 C ATOM 703 C ASP A 45 -3.393 -1.749 2.401 1.00 0.00 C ATOM 704 O ASP A 45 -2.578 -1.180 3.128 1.00 0.00 O ATOM 705 CB ASP A 45 -3.863 -4.199 2.599 1.00 0.00 C ATOM 706 CG ASP A 45 -4.208 -5.228 3.658 1.00 0.00 C ATOM 707 OD1 ASP A 45 -4.007 -4.936 4.855 1.00 0.00 O ATOM 708 OD2 ASP A 45 -4.678 -6.324 3.289 1.00 0.00 O ATOM 0 H ASP A 45 -6.087 -3.364 1.946 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.360 -2.700 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.309 -4.496 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.783 -4.181 2.453 1.00 0.00 H new ATOM 713 N ILE A 46 -3.499 -1.503 1.100 1.00 0.00 N ATOM 714 CA ILE A 46 -2.645 -0.525 0.436 1.00 0.00 C ATOM 715 C ILE A 46 -2.886 0.877 0.984 1.00 0.00 C ATOM 716 O ILE A 46 -1.942 1.619 1.256 1.00 0.00 O ATOM 717 CB ILE A 46 -2.878 -0.516 -1.086 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.570 -1.892 -1.680 1.00 0.00 C ATOM 719 CG2 ILE A 46 -2.023 0.555 -1.747 1.00 0.00 C ATOM 720 CD1 ILE A 46 -3.035 -2.051 -3.110 1.00 0.00 C ATOM 0 H ILE A 46 -4.167 -1.967 0.485 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.614 -0.818 0.636 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.926 -0.285 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.495 -2.066 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.043 -2.658 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.199 0.549 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.286 1.532 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.970 0.353 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.783 -3.050 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.115 -1.909 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.543 -1.308 -3.737 1.00 0.00 H new ATOM 732 N ALA A 47 -4.156 1.233 1.146 1.00 0.00 N ATOM 733 CA ALA A 47 -4.522 2.545 1.666 1.00 0.00 C ATOM 734 C ALA A 47 -3.960 2.756 3.068 1.00 0.00 C ATOM 735 O ALA A 47 -3.365 3.793 3.360 1.00 0.00 O ATOM 736 CB ALA A 47 -6.034 2.708 1.672 1.00 0.00 C ATOM 0 H ALA A 47 -4.949 0.631 0.925 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.089 3.301 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.292 3.692 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.415 2.610 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.480 1.939 2.302 1.00 0.00 H new ATOM 742 N LYS A 48 -4.153 1.766 3.933 1.00 0.00 N ATOM 743 CA LYS A 48 -3.665 1.842 5.305 1.00 0.00 C ATOM 744 C LYS A 48 -2.144 1.941 5.337 1.00 0.00 C ATOM 745 O LYS A 48 -1.579 2.706 6.118 1.00 0.00 O ATOM 746 CB LYS A 48 -4.124 0.617 6.099 1.00 0.00 C ATOM 747 CG LYS A 48 -5.524 0.752 6.671 1.00 0.00 C ATOM 748 CD LYS A 48 -5.503 1.373 8.058 1.00 0.00 C ATOM 749 CE LYS A 48 -5.321 2.882 7.989 1.00 0.00 C ATOM 750 NZ LYS A 48 -5.853 3.560 9.204 1.00 0.00 N ATOM 0 H LYS A 48 -4.644 0.901 3.708 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.079 2.741 5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.088 -0.259 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.423 0.440 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.132 1.365 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.995 -0.230 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.433 1.141 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.694 0.934 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.262 3.116 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.828 3.269 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.710 4.587 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.869 3.358 9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.352 3.209 10.045 1.00 0.00 H new ATOM 764 N ALA A 49 -1.486 1.165 4.481 1.00 0.00 N ATOM 765 CA ALA A 49 -0.030 1.169 4.410 1.00 0.00 C ATOM 766 C ALA A 49 0.490 2.505 3.889 1.00 0.00 C ATOM 767 O ALA A 49 1.478 3.038 4.396 1.00 0.00 O ATOM 768 CB ALA A 49 0.457 0.030 3.527 1.00 0.00 C ATOM 0 H ALA A 49 -1.938 0.526 3.827 1.00 0.00 H new ATOM 0 HA ALA A 49 0.360 1.025 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.546 0.044 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.123 -0.921 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.051 0.149 2.522 1.00 0.00 H new ATOM 774 N THR A 50 -0.180 3.041 2.874 1.00 0.00 N ATOM 775 CA THR A 50 0.216 4.313 2.284 1.00 0.00 C ATOM 776 C THR A 50 -0.425 5.484 3.020 1.00 0.00 C ATOM 777 O THR A 50 -0.538 6.583 2.479 1.00 0.00 O ATOM 778 CB THR A 50 -0.170 4.386 0.794 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.590 4.272 0.649 1.00 0.00 O ATOM 780 CG2 THR A 50 0.515 3.281 0.004 1.00 0.00 C ATOM 0 H THR A 50 -1.000 2.613 2.443 1.00 0.00 H new ATOM 0 HA THR A 50 1.300 4.379 2.375 1.00 0.00 H new ATOM 0 HB THR A 50 0.158 5.349 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.853 3.331 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.228 3.352 -1.045 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.596 3.387 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.212 2.311 0.398 1.00 0.00 H new ATOM 788 N GLY A 51 -0.843 5.241 4.259 1.00 0.00 N ATOM 789 CA GLY A 51 -1.467 6.286 5.049 1.00 0.00 C ATOM 790 C GLY A 51 -0.502 7.400 5.402 1.00 0.00 C ATOM 791 O GLY A 51 -0.856 8.578 5.342 1.00 0.00 O ATOM 0 H GLY A 51 -0.761 4.340 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.310 6.701 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.869 5.854 5.965 1.00 0.00 H new ATOM 795 N ASP A 52 0.718 7.029 5.773 1.00 0.00 N ATOM 796 CA ASP A 52 1.737 8.007 6.137 1.00 0.00 C ATOM 797 C ASP A 52 2.314 8.679 4.895 1.00 0.00 C ATOM 798 O ASP A 52 2.855 9.782 4.970 1.00 0.00 O ATOM 799 CB ASP A 52 2.856 7.335 6.935 1.00 0.00 C ATOM 800 CG ASP A 52 4.128 8.160 6.954 1.00 0.00 C ATOM 801 OD1 ASP A 52 4.910 8.066 5.986 1.00 0.00 O ATOM 802 OD2 ASP A 52 4.342 8.898 7.939 1.00 0.00 O ATOM 0 H ASP A 52 1.026 6.058 5.830 1.00 0.00 H new ATOM 0 HA ASP A 52 1.268 8.771 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.519 7.168 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.068 6.356 6.505 1.00 0.00 H new ATOM 807 N TRP A 53 2.195 8.007 3.756 1.00 0.00 N ATOM 808 CA TRP A 53 2.706 8.540 2.498 1.00 0.00 C ATOM 809 C TRP A 53 1.613 9.282 1.738 1.00 0.00 C ATOM 810 O TRP A 53 1.676 9.418 0.515 1.00 0.00 O ATOM 811 CB TRP A 53 3.269 7.410 1.634 1.00 0.00 C ATOM 812 CG TRP A 53 4.723 7.141 1.881 1.00 0.00 C ATOM 813 CD1 TRP A 53 5.777 7.589 1.138 1.00 0.00 C ATOM 814 CD2 TRP A 53 5.281 6.360 2.943 1.00 0.00 C ATOM 815 NE1 TRP A 53 6.958 7.134 1.674 1.00 0.00 N ATOM 816 CE2 TRP A 53 6.680 6.378 2.783 1.00 0.00 C ATOM 817 CE3 TRP A 53 4.735 5.649 4.015 1.00 0.00 C ATOM 818 CZ2 TRP A 53 7.538 5.712 3.654 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.588 4.987 4.878 1.00 0.00 C ATOM 820 CH2 TRP A 53 6.977 5.023 4.695 1.00 0.00 C ATOM 0 H TRP A 53 1.750 7.093 3.677 1.00 0.00 H new ATOM 0 HA TRP A 53 3.505 9.245 2.728 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.701 6.499 1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.127 7.661 0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.695 8.210 0.258 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.890 7.327 1.306 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.666 5.617 4.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.608 5.738 3.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.177 4.432 5.708 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.617 4.497 5.388 1.00 0.00 H new ATOM 831 N LYS A 54 0.613 9.763 2.467 1.00 0.00 N ATOM 832 CA LYS A 54 -0.494 10.494 1.862 1.00 0.00 C ATOM 833 C LYS A 54 0.007 11.738 1.137 1.00 0.00 C ATOM 834 O LYS A 54 0.638 12.607 1.738 1.00 0.00 O ATOM 835 CB LYS A 54 -1.516 10.890 2.931 1.00 0.00 C ATOM 836 CG LYS A 54 -0.902 11.599 4.125 1.00 0.00 C ATOM 837 CD LYS A 54 -1.969 12.176 5.041 1.00 0.00 C ATOM 838 CE LYS A 54 -1.378 13.170 6.029 1.00 0.00 C ATOM 839 NZ LYS A 54 -2.420 14.065 6.605 1.00 0.00 N ATOM 0 H LYS A 54 0.546 9.660 3.480 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.974 9.840 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.268 11.539 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.033 9.995 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.281 10.900 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.248 12.399 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.736 12.668 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.459 11.368 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.878 12.630 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.619 13.771 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.978 14.728 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.880 14.600 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.131 13.493 7.104 1.00 0.00 H new ATOM 853 N GLY A 55 -0.278 11.818 -0.160 1.00 0.00 N ATOM 854 CA GLY A 55 0.151 12.960 -0.945 1.00 0.00 C ATOM 855 C GLY A 55 1.499 12.740 -1.601 1.00 0.00 C ATOM 856 O GLY A 55 1.893 13.489 -2.496 1.00 0.00 O ATOM 0 H GLY A 55 -0.798 11.112 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.593 13.169 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.202 13.839 -0.303 1.00 0.00 H new ATOM 860 N LEU A 56 2.211 11.710 -1.155 1.00 0.00 N ATOM 861 CA LEU A 56 3.525 11.393 -1.704 1.00 0.00 C ATOM 862 C LEU A 56 3.430 10.266 -2.727 1.00 0.00 C ATOM 863 O LEU A 56 2.750 9.265 -2.502 1.00 0.00 O ATOM 864 CB LEU A 56 4.487 11.000 -0.582 1.00 0.00 C ATOM 865 CG LEU A 56 4.769 12.075 0.468 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.719 12.035 1.568 1.00 0.00 C ATOM 867 CD2 LEU A 56 6.162 11.897 1.053 1.00 0.00 C ATOM 0 H LEU A 56 1.900 11.081 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 56 3.906 12.282 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.084 10.123 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.434 10.702 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 56 4.722 13.050 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.936 12.807 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.734 12.212 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.734 11.058 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.345 12.671 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.237 10.916 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.903 11.976 0.258 1.00 0.00 H new ATOM 879 N ARG A 57 4.119 10.434 -3.851 1.00 0.00 N ATOM 880 CA ARG A 57 4.114 9.430 -4.908 1.00 0.00 C ATOM 881 C ARG A 57 5.299 8.480 -4.762 1.00 0.00 C ATOM 882 O ARG A 57 6.455 8.903 -4.805 1.00 0.00 O ATOM 883 CB ARG A 57 4.153 10.104 -6.281 1.00 0.00 C ATOM 884 CG ARG A 57 3.501 9.283 -7.382 1.00 0.00 C ATOM 885 CD ARG A 57 4.136 9.562 -8.735 1.00 0.00 C ATOM 886 NE ARG A 57 3.193 9.364 -9.833 1.00 0.00 N ATOM 887 CZ ARG A 57 2.230 10.226 -10.138 1.00 0.00 C ATOM 888 NH1 ARG A 57 2.083 11.339 -9.433 1.00 0.00 N ATOM 889 NH2 ARG A 57 1.411 9.976 -11.152 1.00 0.00 N ATOM 0 H ARG A 57 4.688 11.256 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 57 3.194 8.852 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.653 11.071 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.191 10.299 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.591 8.222 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.436 9.511 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.508 10.586 -8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.997 8.907 -8.874 1.00 0.00 H new ATOM 0 HE ARG A 57 3.279 8.518 -10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.711 11.536 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.342 11.999 -9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.521 9.121 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.672 10.639 -11.386 1.00 0.00 H new ATOM 903 N ILE A 58 5.003 7.196 -4.589 1.00 0.00 N ATOM 904 CA ILE A 58 6.044 6.187 -4.437 1.00 0.00 C ATOM 905 C ILE A 58 5.649 4.883 -5.121 1.00 0.00 C ATOM 906 O ILE A 58 4.469 4.628 -5.362 1.00 0.00 O ATOM 907 CB ILE A 58 6.343 5.906 -2.953 1.00 0.00 C ATOM 908 CG1 ILE A 58 5.130 5.263 -2.278 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.734 7.191 -2.238 1.00 0.00 C ATOM 910 CD1 ILE A 58 4.071 6.260 -1.863 1.00 0.00 C ATOM 0 H ILE A 58 4.052 6.830 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 58 6.941 6.585 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 58 7.180 5.210 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.687 4.537 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.463 4.712 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.942 6.975 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.624 7.611 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.916 7.908 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.241 5.734 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.498 6.971 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.710 6.794 -2.742 1.00 0.00 H new ATOM 922 N THR A 59 6.645 4.057 -5.429 1.00 0.00 N ATOM 923 CA THR A 59 6.402 2.778 -6.084 1.00 0.00 C ATOM 924 C THR A 59 6.203 1.666 -5.061 1.00 0.00 C ATOM 925 O THR A 59 7.001 1.508 -4.137 1.00 0.00 O ATOM 926 CB THR A 59 7.564 2.397 -7.020 1.00 0.00 C ATOM 927 OG1 THR A 59 7.769 3.429 -7.991 1.00 0.00 O ATOM 928 CG2 THR A 59 7.281 1.079 -7.725 1.00 0.00 C ATOM 0 H THR A 59 7.627 4.252 -5.235 1.00 0.00 H new ATOM 0 HA THR A 59 5.493 2.892 -6.674 1.00 0.00 H new ATOM 0 HB THR A 59 8.465 2.282 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.511 3.180 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.116 0.831 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.154 0.290 -6.984 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.370 1.171 -8.316 1.00 0.00 H new ATOM 936 N VAL A 60 5.132 0.896 -5.231 1.00 0.00 N ATOM 937 CA VAL A 60 4.829 -0.204 -4.323 1.00 0.00 C ATOM 938 C VAL A 60 4.961 -1.550 -5.027 1.00 0.00 C ATOM 939 O VAL A 60 4.391 -1.762 -6.098 1.00 0.00 O ATOM 940 CB VAL A 60 3.408 -0.077 -3.743 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.094 -1.257 -2.836 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.255 1.237 -2.993 1.00 0.00 C ATOM 0 H VAL A 60 4.460 1.014 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 60 5.552 -0.151 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 60 2.696 -0.084 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.086 -1.150 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.161 -2.183 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.810 -1.285 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.245 1.310 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.976 1.276 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.435 2.068 -3.675 1.00 0.00 H new ATOM 952 N LYS A 61 5.716 -2.458 -4.419 1.00 0.00 N ATOM 953 CA LYS A 61 5.922 -3.786 -4.985 1.00 0.00 C ATOM 954 C LYS A 61 5.080 -4.826 -4.252 1.00 0.00 C ATOM 955 O LYS A 61 5.227 -5.021 -3.045 1.00 0.00 O ATOM 956 CB LYS A 61 7.401 -4.169 -4.913 1.00 0.00 C ATOM 957 CG LYS A 61 7.890 -4.449 -3.503 1.00 0.00 C ATOM 958 CD LYS A 61 9.405 -4.547 -3.446 1.00 0.00 C ATOM 959 CE LYS A 61 9.896 -5.896 -3.950 1.00 0.00 C ATOM 960 NZ LYS A 61 9.408 -7.016 -3.098 1.00 0.00 N ATOM 0 H LYS A 61 6.196 -2.299 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 61 5.610 -3.762 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.569 -5.053 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.997 -3.364 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.551 -3.657 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.451 -5.379 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.845 -3.751 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.742 -4.396 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.558 -6.046 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.986 -5.902 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.214 -7.599 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.926 -6.631 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.743 -7.602 -3.642 1.00 0.00 H new ATOM 974 N LEU A 62 4.200 -5.494 -4.990 1.00 0.00 N ATOM 975 CA LEU A 62 3.335 -6.517 -4.410 1.00 0.00 C ATOM 976 C LEU A 62 3.858 -7.914 -4.727 1.00 0.00 C ATOM 977 O LEU A 62 4.022 -8.279 -5.892 1.00 0.00 O ATOM 978 CB LEU A 62 1.907 -6.362 -4.936 1.00 0.00 C ATOM 979 CG LEU A 62 1.294 -4.967 -4.815 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.005 -4.884 -5.601 1.00 0.00 C ATOM 981 CD2 LEU A 62 1.059 -4.613 -3.354 1.00 0.00 C ATOM 0 H LEU A 62 4.066 -5.346 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 62 3.333 -6.387 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.895 -6.652 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.267 -7.065 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 62 1.995 -4.246 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.426 -3.884 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.192 -5.093 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.713 -5.616 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.622 -3.617 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.378 -5.338 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.008 -4.630 -2.818 1.00 0.00 H new ATOM 993 N THR A 63 4.116 -8.695 -3.682 1.00 0.00 N ATOM 994 CA THR A 63 4.618 -10.053 -3.848 1.00 0.00 C ATOM 995 C THR A 63 3.577 -11.081 -3.419 1.00 0.00 C ATOM 996 O THR A 63 3.237 -11.178 -2.240 1.00 0.00 O ATOM 997 CB THR A 63 5.909 -10.277 -3.039 1.00 0.00 C ATOM 998 OG1 THR A 63 6.822 -9.197 -3.263 1.00 0.00 O ATOM 999 CG2 THR A 63 6.568 -11.593 -3.424 1.00 0.00 C ATOM 0 H THR A 63 3.985 -8.410 -2.712 1.00 0.00 H new ATOM 0 HA THR A 63 4.836 -10.182 -4.908 1.00 0.00 H new ATOM 0 HB THR A 63 5.646 -10.316 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.639 -9.347 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.478 -11.729 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.882 -12.416 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.817 -11.578 -4.485 1.00 0.00 H new ATOM 1007 N ILE A 64 3.075 -11.846 -4.383 1.00 0.00 N ATOM 1008 CA ILE A 64 2.074 -12.867 -4.103 1.00 0.00 C ATOM 1009 C ILE A 64 2.673 -14.266 -4.204 1.00 0.00 C ATOM 1010 O ILE A 64 3.229 -14.640 -5.237 1.00 0.00 O ATOM 1011 CB ILE A 64 0.878 -12.762 -5.066 1.00 0.00 C ATOM 1012 CG1 ILE A 64 0.000 -11.565 -4.696 1.00 0.00 C ATOM 1013 CG2 ILE A 64 0.065 -14.048 -5.044 1.00 0.00 C ATOM 1014 CD1 ILE A 64 0.782 -10.386 -4.160 1.00 0.00 C ATOM 0 H ILE A 64 3.345 -11.778 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 64 1.725 -12.696 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 64 1.257 -12.612 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.560 -11.249 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.730 -11.877 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.777 -13.958 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.696 -14.882 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.307 -14.226 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.096 -9.574 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.321 -10.685 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.493 -10.048 -4.914 1.00 0.00 H new ATOM 1026 N GLN A 65 2.554 -15.035 -3.126 1.00 0.00 N ATOM 1027 CA GLN A 65 3.083 -16.393 -3.095 1.00 0.00 C ATOM 1028 C GLN A 65 2.188 -17.307 -2.265 1.00 0.00 C ATOM 1029 O GLN A 65 1.804 -16.966 -1.147 1.00 0.00 O ATOM 1030 CB GLN A 65 4.503 -16.397 -2.527 1.00 0.00 C ATOM 1031 CG GLN A 65 5.182 -17.756 -2.594 1.00 0.00 C ATOM 1032 CD GLN A 65 6.624 -17.712 -2.128 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.931 -18.060 -0.988 1.00 0.00 O ATOM 1034 NE2 GLN A 65 7.518 -17.283 -3.011 1.00 0.00 N ATOM 0 H GLN A 65 2.096 -14.741 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 65 3.107 -16.770 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.106 -15.672 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.471 -16.067 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.627 -18.466 -1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.147 -18.125 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.219 -17.004 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.504 -17.232 -2.755 1.00 0.00 H new ATOM 1043 N ASN A 66 1.860 -18.469 -2.820 1.00 0.00 N ATOM 1044 CA ASN A 66 1.008 -19.432 -2.130 1.00 0.00 C ATOM 1045 C ASN A 66 -0.279 -18.771 -1.645 1.00 0.00 C ATOM 1046 O ASN A 66 -0.677 -18.937 -0.492 1.00 0.00 O ATOM 1047 CB ASN A 66 1.756 -20.048 -0.945 1.00 0.00 C ATOM 1048 CG ASN A 66 1.217 -21.415 -0.570 1.00 0.00 C ATOM 1049 OD1 ASN A 66 1.107 -22.304 -1.414 1.00 0.00 O ATOM 1050 ND2 ASN A 66 0.880 -21.588 0.703 1.00 0.00 N ATOM 0 H ASN A 66 2.171 -18.767 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 66 0.747 -20.220 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.815 -20.133 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.681 -19.382 -0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.513 -22.487 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.988 -20.822 1.368 1.00 0.00 H new ATOM 1057 N ARG A 67 -0.924 -18.023 -2.534 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.165 -17.337 -2.197 1.00 0.00 C ATOM 1059 C ARG A 67 -1.951 -16.360 -1.045 1.00 0.00 C ATOM 1060 O ARG A 67 -2.689 -16.377 -0.060 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.249 -18.351 -1.826 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.478 -19.414 -2.888 1.00 0.00 C ATOM 1063 CD ARG A 67 -4.481 -18.951 -3.933 1.00 0.00 C ATOM 1064 NE ARG A 67 -4.480 -19.813 -5.112 1.00 0.00 N ATOM 1065 CZ ARG A 67 -5.290 -19.640 -6.150 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.162 -18.641 -6.154 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.229 -20.466 -7.186 1.00 0.00 N ATOM 0 H ARG A 67 -0.608 -17.877 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.489 -16.774 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.974 -18.838 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.184 -17.821 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.532 -19.656 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.838 -20.329 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.479 -18.936 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.248 -17.929 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.821 -20.591 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.211 -18.004 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.783 -18.510 -6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.559 -21.235 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.852 -20.332 -7.983 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.937 -15.511 -1.176 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.626 -14.528 -0.145 1.00 0.00 C ATOM 1083 C GLN A 68 -0.451 -13.140 -0.751 1.00 0.00 C ATOM 1084 O GLN A 68 -0.312 -12.995 -1.965 1.00 0.00 O ATOM 1085 CB GLN A 68 0.643 -14.933 0.608 1.00 0.00 C ATOM 1086 CG GLN A 68 0.556 -16.306 1.254 1.00 0.00 C ATOM 1087 CD GLN A 68 -0.363 -16.328 2.459 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -0.136 -15.619 3.440 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -1.408 -17.144 2.393 1.00 0.00 N ATOM 0 H GLN A 68 -0.317 -15.484 -1.986 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.461 -14.495 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.486 -14.919 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.850 -14.191 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.201 -17.027 0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.553 -16.624 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.558 -17.714 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.061 -17.201 3.175 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.459 -12.122 0.103 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.299 -10.745 -0.349 1.00 0.00 C ATOM 1100 C ALA A 69 0.610 -9.961 0.591 1.00 0.00 C ATOM 1101 O ALA A 69 0.489 -10.060 1.812 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.656 -10.066 -0.461 1.00 0.00 C ATOM 0 H ALA A 69 -0.574 -12.225 1.111 1.00 0.00 H new ATOM 0 HA ALA A 69 0.169 -10.764 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.522 -9.039 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.275 -10.606 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.144 -10.066 0.513 1.00 0.00 H new ATOM 1108 N GLN A 70 1.520 -9.183 0.014 1.00 0.00 N ATOM 1109 CA GLN A 70 2.451 -8.383 0.802 1.00 0.00 C ATOM 1110 C GLN A 70 2.612 -6.989 0.204 1.00 0.00 C ATOM 1111 O GLN A 70 2.635 -6.826 -1.016 1.00 0.00 O ATOM 1112 CB GLN A 70 3.811 -9.077 0.882 1.00 0.00 C ATOM 1113 CG GLN A 70 3.827 -10.281 1.809 1.00 0.00 C ATOM 1114 CD GLN A 70 3.303 -9.958 3.194 1.00 0.00 C ATOM 1115 OE1 GLN A 70 3.347 -8.809 3.635 1.00 0.00 O ATOM 1116 NE2 GLN A 70 2.801 -10.972 3.890 1.00 0.00 N ATOM 0 H GLN A 70 1.633 -9.089 -0.995 1.00 0.00 H new ATOM 0 HA GLN A 70 2.043 -8.282 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.106 -9.395 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.557 -8.358 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.224 -11.078 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.846 -10.659 1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.784 -11.909 3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.433 -10.814 4.828 1.00 0.00 H new ATOM 1125 N ILE A 71 2.723 -5.988 1.071 1.00 0.00 N ATOM 1126 CA ILE A 71 2.882 -4.609 0.628 1.00 0.00 C ATOM 1127 C ILE A 71 4.103 -3.962 1.274 1.00 0.00 C ATOM 1128 O ILE A 71 4.237 -3.952 2.497 1.00 0.00 O ATOM 1129 CB ILE A 71 1.636 -3.765 0.953 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.241 -3.943 2.421 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.482 -4.151 0.038 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.012 -3.188 2.805 1.00 0.00 C ATOM 0 H ILE A 71 2.706 -6.107 2.084 1.00 0.00 H new ATOM 0 HA ILE A 71 3.018 -4.639 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 71 1.873 -2.714 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.093 -5.004 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.064 -3.610 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.392 -3.546 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.767 -3.979 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.243 -5.205 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.232 -3.360 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.139 -2.122 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.847 -3.537 2.198 1.00 0.00 H new ATOM 1144 N GLU A 72 4.988 -3.421 0.443 1.00 0.00 N ATOM 1145 CA GLU A 72 6.197 -2.770 0.934 1.00 0.00 C ATOM 1146 C GLU A 72 6.639 -1.658 -0.012 1.00 0.00 C ATOM 1147 O GLU A 72 6.450 -1.747 -1.225 1.00 0.00 O ATOM 1148 CB GLU A 72 7.323 -3.793 1.097 1.00 0.00 C ATOM 1149 CG GLU A 72 7.928 -4.248 -0.220 1.00 0.00 C ATOM 1150 CD GLU A 72 9.124 -5.161 -0.029 1.00 0.00 C ATOM 1151 OE1 GLU A 72 8.924 -6.323 0.381 1.00 0.00 O ATOM 1152 OE2 GLU A 72 10.260 -4.712 -0.291 1.00 0.00 O ATOM 0 H GLU A 72 4.891 -3.421 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 72 5.972 -2.329 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.108 -3.361 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.938 -4.662 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.168 -4.768 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.231 -3.374 -0.797 1.00 0.00 H new ATOM 1159 N VAL A 73 7.229 -0.608 0.552 1.00 0.00 N ATOM 1160 CA VAL A 73 7.699 0.522 -0.240 1.00 0.00 C ATOM 1161 C VAL A 73 9.169 0.362 -0.609 1.00 0.00 C ATOM 1162 O VAL A 73 9.997 0.015 0.234 1.00 0.00 O ATOM 1163 CB VAL A 73 7.512 1.852 0.515 1.00 0.00 C ATOM 1164 CG1 VAL A 73 8.000 3.019 -0.331 1.00 0.00 C ATOM 1165 CG2 VAL A 73 6.055 2.041 0.909 1.00 0.00 C ATOM 0 H VAL A 73 7.393 -0.517 1.555 1.00 0.00 H new ATOM 0 HA VAL A 73 7.100 0.541 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 73 8.109 1.820 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.860 3.950 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.058 2.887 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.432 3.057 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.942 2.985 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.434 2.053 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.744 1.221 1.555 1.00 0.00 H new ATOM 1175 N VAL A 74 9.488 0.617 -1.874 1.00 0.00 N ATOM 1176 CA VAL A 74 10.859 0.502 -2.355 1.00 0.00 C ATOM 1177 C VAL A 74 11.641 1.785 -2.097 1.00 0.00 C ATOM 1178 O VAL A 74 11.110 2.893 -2.184 1.00 0.00 O ATOM 1179 CB VAL A 74 10.901 0.182 -3.861 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.146 -1.105 -4.154 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.331 1.340 -4.667 1.00 0.00 C ATOM 0 H VAL A 74 8.815 0.905 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 74 11.320 -0.318 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 74 11.941 0.040 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.186 -1.315 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.603 -1.928 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.107 -0.996 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.368 1.097 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.297 1.515 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.919 2.238 -4.479 1.00 0.00 H new ATOM 1191 N PRO A 75 12.934 1.636 -1.773 1.00 0.00 N ATOM 1192 CA PRO A 75 13.817 2.772 -1.497 1.00 0.00 C ATOM 1193 C PRO A 75 14.125 3.585 -2.750 1.00 0.00 C ATOM 1194 O PRO A 75 13.521 3.375 -3.801 1.00 0.00 O ATOM 1195 CB PRO A 75 15.090 2.110 -0.963 1.00 0.00 C ATOM 1196 CG PRO A 75 15.080 0.741 -1.550 1.00 0.00 C ATOM 1197 CD PRO A 75 13.633 0.345 -1.651 1.00 0.00 C ATOM 0 HA PRO A 75 13.365 3.480 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.980 2.663 -1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.090 2.074 0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.556 0.733 -2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.633 0.043 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.451 -0.294 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.305 -0.208 -0.771 1.00 0.00 H new