USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 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 -174:sc= -0.69 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+ -122:sc= 0.407 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -7:sc= 0.576 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 1.11 (180deg=0.414) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0553 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 68 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.22) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.077 -17.478 -7.722 1.00 0.00 N ATOM 192 CA VAL A 10 7.648 -16.183 -7.210 1.00 0.00 C ATOM 193 C VAL A 10 7.690 -15.118 -8.300 1.00 0.00 C ATOM 194 O VAL A 10 8.617 -15.080 -9.110 1.00 0.00 O ATOM 195 CB VAL A 10 8.525 -15.728 -6.029 1.00 0.00 C ATOM 196 CG1 VAL A 10 9.978 -15.600 -6.461 1.00 0.00 C ATOM 197 CG2 VAL A 10 8.012 -14.413 -5.459 1.00 0.00 C ATOM 0 HA VAL A 10 6.621 -16.304 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 10 8.469 -16.484 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.583 -15.278 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.338 -16.565 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.056 -14.865 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.644 -14.107 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.036 -13.647 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.988 -14.543 -5.109 1.00 0.00 H new ATOM 207 N LYS A 11 6.681 -14.254 -8.316 1.00 0.00 N ATOM 208 CA LYS A 11 6.603 -13.187 -9.306 1.00 0.00 C ATOM 209 C LYS A 11 6.188 -11.871 -8.655 1.00 0.00 C ATOM 210 O LYS A 11 5.158 -11.796 -7.985 1.00 0.00 O ATOM 211 CB LYS A 11 5.609 -13.558 -10.409 1.00 0.00 C ATOM 212 CG LYS A 11 5.483 -12.503 -11.495 1.00 0.00 C ATOM 213 CD LYS A 11 4.668 -13.009 -12.672 1.00 0.00 C ATOM 214 CE LYS A 11 3.182 -13.036 -12.351 1.00 0.00 C ATOM 215 NZ LYS A 11 2.386 -13.640 -13.455 1.00 0.00 N ATOM 0 H LYS A 11 5.905 -14.272 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 11 7.592 -13.059 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.918 -14.500 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.629 -13.726 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.013 -11.610 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.476 -12.212 -11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.843 -12.370 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.001 -14.011 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.019 -13.602 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.832 -12.021 -12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.379 -13.640 -13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.521 -13.085 -14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.702 -14.618 -13.616 1.00 0.00 H new ATOM 229 N VAL A 12 6.996 -10.835 -8.858 1.00 0.00 N ATOM 230 CA VAL A 12 6.711 -9.521 -8.293 1.00 0.00 C ATOM 231 C VAL A 12 5.990 -8.634 -9.302 1.00 0.00 C ATOM 232 O VAL A 12 6.287 -8.665 -10.496 1.00 0.00 O ATOM 233 CB VAL A 12 8.001 -8.815 -7.836 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.708 -7.381 -7.423 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.653 -9.584 -6.696 1.00 0.00 C ATOM 0 H VAL A 12 7.853 -10.880 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 12 6.067 -9.681 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 12 8.698 -8.791 -8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.632 -6.899 -7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.289 -6.837 -8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.993 -7.378 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.563 -9.071 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.963 -9.641 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.900 -10.591 -7.031 1.00 0.00 H new ATOM 245 N VAL A 13 5.040 -7.843 -8.813 1.00 0.00 N ATOM 246 CA VAL A 13 4.276 -6.945 -9.671 1.00 0.00 C ATOM 247 C VAL A 13 4.283 -5.523 -9.122 1.00 0.00 C ATOM 248 O VAL A 13 3.976 -5.297 -7.951 1.00 0.00 O ATOM 249 CB VAL A 13 2.819 -7.418 -9.822 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.074 -6.543 -10.819 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.775 -8.879 -10.246 1.00 0.00 C ATOM 0 H VAL A 13 4.781 -7.806 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 13 4.757 -6.956 -10.649 1.00 0.00 H new ATOM 0 HB VAL A 13 2.324 -7.328 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.046 -6.893 -10.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.076 -5.511 -10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.566 -6.598 -11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.737 -9.197 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.286 -8.996 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.270 -9.492 -9.492 1.00 0.00 H new ATOM 261 N TYR A 14 4.634 -4.567 -9.975 1.00 0.00 N ATOM 262 CA TYR A 14 4.682 -3.166 -9.575 1.00 0.00 C ATOM 263 C TYR A 14 3.523 -2.384 -10.186 1.00 0.00 C ATOM 264 O TYR A 14 3.218 -2.527 -11.371 1.00 0.00 O ATOM 265 CB TYR A 14 6.012 -2.539 -9.996 1.00 0.00 C ATOM 266 CG TYR A 14 7.219 -3.200 -9.369 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.572 -4.503 -9.701 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.005 -2.524 -8.444 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.673 -5.111 -9.130 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.108 -3.124 -7.870 1.00 0.00 C ATOM 271 CZ TYR A 14 9.438 -4.418 -8.216 1.00 0.00 C ATOM 272 OH TYR A 14 10.536 -5.020 -7.645 1.00 0.00 O ATOM 0 H TYR A 14 4.889 -4.737 -10.948 1.00 0.00 H new ATOM 0 HA TYR A 14 4.594 -3.122 -8.489 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.102 -2.592 -11.081 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.007 -1.482 -9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.976 -5.049 -10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.749 -1.511 -8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.933 -6.124 -9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.709 -2.583 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 14 10.966 -4.395 -7.024 1.00 0.00 H new ATOM 282 N LEU A 15 2.880 -1.557 -9.369 1.00 0.00 N ATOM 283 CA LEU A 15 1.754 -0.751 -9.827 1.00 0.00 C ATOM 284 C LEU A 15 2.000 0.730 -9.559 1.00 0.00 C ATOM 285 O LEU A 15 2.841 1.091 -8.735 1.00 0.00 O ATOM 286 CB LEU A 15 0.465 -1.199 -9.136 1.00 0.00 C ATOM 287 CG LEU A 15 -0.177 -2.477 -9.677 1.00 0.00 C ATOM 288 CD1 LEU A 15 -0.574 -2.299 -11.134 1.00 0.00 C ATOM 289 CD2 LEU A 15 0.770 -3.658 -9.521 1.00 0.00 C ATOM 0 H LEU A 15 3.119 -1.427 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 15 1.650 -0.895 -10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.675 -1.342 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.263 -0.391 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.078 -2.681 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.029 -3.219 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.289 -1.481 -11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.311 -2.070 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.296 -4.559 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.689 -3.463 -10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.004 -3.800 -8.466 1.00 0.00 H new ATOM 301 N ARG A 16 1.259 1.584 -10.258 1.00 0.00 N ATOM 302 CA ARG A 16 1.395 3.026 -10.094 1.00 0.00 C ATOM 303 C ARG A 16 0.128 3.628 -9.494 1.00 0.00 C ATOM 304 O ARG A 16 -0.965 3.471 -10.040 1.00 0.00 O ATOM 305 CB ARG A 16 1.698 3.687 -11.440 1.00 0.00 C ATOM 306 CG ARG A 16 1.737 5.205 -11.378 1.00 0.00 C ATOM 307 CD ARG A 16 3.136 5.715 -11.066 1.00 0.00 C ATOM 308 NE ARG A 16 3.407 5.727 -9.631 1.00 0.00 N ATOM 309 CZ ARG A 16 4.576 6.076 -9.107 1.00 0.00 C ATOM 310 NH1 ARG A 16 5.578 6.440 -9.896 1.00 0.00 N ATOM 311 NH2 ARG A 16 4.746 6.063 -7.791 1.00 0.00 N ATOM 0 H ARG A 16 0.558 1.302 -10.943 1.00 0.00 H new ATOM 0 HA ARG A 16 2.223 3.212 -9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.657 3.322 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.943 3.381 -12.164 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.402 5.618 -12.330 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.042 5.557 -10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.871 5.087 -11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.252 6.723 -11.465 1.00 0.00 H new ATOM 0 HE ARG A 16 2.657 5.452 -8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.452 6.452 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.475 6.708 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.978 5.785 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.645 6.331 -7.390 1.00 0.00 H new ATOM 325 N CYS A 17 0.282 4.315 -8.367 1.00 0.00 N ATOM 326 CA CYS A 17 -0.851 4.939 -7.692 1.00 0.00 C ATOM 327 C CYS A 17 -0.388 6.092 -6.807 1.00 0.00 C ATOM 328 O CYS A 17 0.808 6.266 -6.569 1.00 0.00 O ATOM 329 CB CYS A 17 -1.603 3.906 -6.852 1.00 0.00 C ATOM 330 SG CYS A 17 -0.615 3.168 -5.530 1.00 0.00 S ATOM 0 H CYS A 17 1.179 4.454 -7.902 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.523 5.336 -8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.481 4.380 -6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.963 3.113 -7.508 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.339 2.309 -4.875 1.00 0.00 H new ATOM 336 N THR A 18 -1.343 6.879 -6.321 1.00 0.00 N ATOM 337 CA THR A 18 -1.033 8.017 -5.465 1.00 0.00 C ATOM 338 C THR A 18 -1.388 7.724 -4.012 1.00 0.00 C ATOM 339 O THR A 18 -2.386 7.063 -3.728 1.00 0.00 O ATOM 340 CB THR A 18 -1.784 9.283 -5.920 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.511 9.544 -7.301 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.376 10.485 -5.081 1.00 0.00 C ATOM 0 H THR A 18 -2.338 6.749 -6.506 1.00 0.00 H new ATOM 0 HA THR A 18 0.040 8.191 -5.546 1.00 0.00 H new ATOM 0 HB THR A 18 -2.852 9.113 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.993 10.349 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.919 11.367 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.612 10.295 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.305 10.656 -5.187 1.00 0.00 H new ATOM 350 N GLY A 19 -0.565 8.221 -3.094 1.00 0.00 N ATOM 351 CA GLY A 19 -0.810 8.003 -1.681 1.00 0.00 C ATOM 352 C GLY A 19 -2.220 8.379 -1.272 1.00 0.00 C ATOM 353 O GLY A 19 -2.849 9.232 -1.898 1.00 0.00 O ATOM 0 H GLY A 19 0.268 8.771 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.633 6.954 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.098 8.587 -1.098 1.00 0.00 H new ATOM 357 N GLY A 20 -2.720 7.741 -0.218 1.00 0.00 N ATOM 358 CA GLY A 20 -4.062 8.026 0.255 1.00 0.00 C ATOM 359 C GLY A 20 -5.035 8.276 -0.880 1.00 0.00 C ATOM 360 O GLY A 20 -5.715 9.302 -0.908 1.00 0.00 O ATOM 0 H GLY A 20 -2.219 7.031 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.417 7.189 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.037 8.899 0.907 1.00 0.00 H new ATOM 364 N GLU A 21 -5.101 7.338 -1.819 1.00 0.00 N ATOM 365 CA GLU A 21 -5.997 7.464 -2.963 1.00 0.00 C ATOM 366 C GLU A 21 -6.948 6.273 -3.043 1.00 0.00 C ATOM 367 O GLU A 21 -7.309 5.825 -4.132 1.00 0.00 O ATOM 368 CB GLU A 21 -5.192 7.576 -4.260 1.00 0.00 C ATOM 369 CG GLU A 21 -6.024 7.998 -5.459 1.00 0.00 C ATOM 370 CD GLU A 21 -5.201 8.694 -6.525 1.00 0.00 C ATOM 371 OE1 GLU A 21 -4.996 9.920 -6.409 1.00 0.00 O ATOM 372 OE2 GLU A 21 -4.761 8.013 -7.474 1.00 0.00 O ATOM 0 H GLU A 21 -4.545 6.483 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.588 8.371 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.386 8.296 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.726 6.614 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.503 7.119 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.820 8.664 -5.127 1.00 0.00 H new ATOM 437 N ALA A 27 -10.958 0.072 -9.669 1.00 0.00 N ATOM 438 CA ALA A 27 -10.010 -0.048 -10.770 1.00 0.00 C ATOM 439 C ALA A 27 -9.190 -1.328 -10.652 1.00 0.00 C ATOM 440 O ALA A 27 -8.734 -1.880 -11.654 1.00 0.00 O ATOM 441 CB ALA A 27 -9.094 1.166 -10.811 1.00 0.00 C ATOM 0 HA ALA A 27 -10.576 -0.095 -11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.391 1.064 -11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.691 2.067 -10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.543 1.238 -9.873 1.00 0.00 H new ATOM 447 N LEU A 28 -9.005 -1.795 -9.422 1.00 0.00 N ATOM 448 CA LEU A 28 -8.239 -3.011 -9.173 1.00 0.00 C ATOM 449 C LEU A 28 -9.146 -4.237 -9.179 1.00 0.00 C ATOM 450 O LEU A 28 -8.694 -5.355 -9.426 1.00 0.00 O ATOM 451 CB LEU A 28 -7.507 -2.911 -7.834 1.00 0.00 C ATOM 452 CG LEU A 28 -6.555 -1.724 -7.677 1.00 0.00 C ATOM 453 CD1 LEU A 28 -6.275 -1.456 -6.206 1.00 0.00 C ATOM 454 CD2 LEU A 28 -5.258 -1.978 -8.431 1.00 0.00 C ATOM 0 H LEU A 28 -9.375 -1.350 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.507 -3.120 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.251 -2.862 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.939 -3.829 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.032 -0.841 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.596 -0.608 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.210 -1.230 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.818 -2.338 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.593 -1.123 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.777 -2.872 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.475 -2.120 -9.490 1.00 0.00 H new ATOM 466 N ALA A 29 -10.429 -4.019 -8.907 1.00 0.00 N ATOM 467 CA ALA A 29 -11.401 -5.106 -8.886 1.00 0.00 C ATOM 468 C ALA A 29 -11.229 -6.020 -10.094 1.00 0.00 C ATOM 469 O ALA A 29 -11.015 -7.225 -9.966 1.00 0.00 O ATOM 470 CB ALA A 29 -12.815 -4.548 -8.840 1.00 0.00 C ATOM 0 H ALA A 29 -10.819 -3.100 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.227 -5.699 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.530 -5.370 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.938 -3.943 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.991 -3.930 -9.721 1.00 0.00 H new ATOM 476 N PRO A 30 -11.326 -5.435 -11.297 1.00 0.00 N ATOM 477 CA PRO A 30 -11.185 -6.180 -12.553 1.00 0.00 C ATOM 478 C PRO A 30 -9.755 -6.653 -12.789 1.00 0.00 C ATOM 479 O PRO A 30 -9.515 -7.570 -13.574 1.00 0.00 O ATOM 480 CB PRO A 30 -11.593 -5.159 -13.618 1.00 0.00 C ATOM 481 CG PRO A 30 -11.319 -3.833 -12.997 1.00 0.00 C ATOM 482 CD PRO A 30 -11.580 -4.003 -11.526 1.00 0.00 C ATOM 0 HA PRO A 30 -11.789 -7.087 -12.559 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.019 -5.293 -14.535 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.645 -5.262 -13.883 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.290 -3.523 -13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.963 -3.063 -13.421 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.920 -3.377 -10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.602 -3.730 -11.265 1.00 0.00 H new ATOM 490 N LYS A 31 -8.807 -6.021 -12.104 1.00 0.00 N ATOM 491 CA LYS A 31 -7.400 -6.378 -12.237 1.00 0.00 C ATOM 492 C LYS A 31 -7.086 -7.652 -11.458 1.00 0.00 C ATOM 493 O LYS A 31 -6.341 -8.511 -11.930 1.00 0.00 O ATOM 494 CB LYS A 31 -6.513 -5.234 -11.742 1.00 0.00 C ATOM 495 CG LYS A 31 -6.674 -3.951 -12.539 1.00 0.00 C ATOM 496 CD LYS A 31 -5.728 -3.911 -13.728 1.00 0.00 C ATOM 497 CE LYS A 31 -6.210 -2.935 -14.790 1.00 0.00 C ATOM 498 NZ LYS A 31 -5.690 -1.559 -14.555 1.00 0.00 N ATOM 0 H LYS A 31 -8.988 -5.259 -11.451 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.195 -6.558 -13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.744 -5.033 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.470 -5.549 -11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.703 -3.865 -12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.484 -3.094 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.732 -3.623 -13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.643 -4.908 -14.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.891 -3.281 -15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.300 -2.915 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.041 -0.923 -15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.015 -1.219 -13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.650 -1.573 -14.573 1.00 0.00 H new ATOM 512 N ILE A 32 -7.659 -7.767 -10.265 1.00 0.00 N ATOM 513 CA ILE A 32 -7.441 -8.937 -9.423 1.00 0.00 C ATOM 514 C ILE A 32 -8.403 -10.063 -9.788 1.00 0.00 C ATOM 515 O ILE A 32 -8.274 -11.186 -9.301 1.00 0.00 O ATOM 516 CB ILE A 32 -7.610 -8.596 -7.931 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.763 -7.375 -7.565 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.228 -9.790 -7.068 1.00 0.00 C ATOM 519 CD1 ILE A 32 -6.978 -6.894 -6.147 1.00 0.00 C ATOM 0 H ILE A 32 -8.278 -7.065 -9.860 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.417 -9.266 -9.598 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.657 -8.358 -7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.710 -7.619 -7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.994 -6.563 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.353 -9.533 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.869 -10.636 -7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.188 -10.057 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.346 -6.027 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.024 -6.618 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.720 -7.691 -5.449 1.00 0.00 H new ATOM 531 N GLY A 33 -9.367 -9.755 -10.650 1.00 0.00 N ATOM 532 CA GLY A 33 -10.335 -10.752 -11.067 1.00 0.00 C ATOM 533 C GLY A 33 -9.698 -12.099 -11.344 1.00 0.00 C ATOM 534 O GLY A 33 -10.025 -13.105 -10.714 1.00 0.00 O ATOM 0 H GLY A 33 -9.495 -8.833 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.093 -10.865 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.846 -10.404 -11.964 1.00 0.00 H new ATOM 538 N PRO A 34 -8.767 -12.131 -12.309 1.00 0.00 N ATOM 539 CA PRO A 34 -8.064 -13.359 -12.690 1.00 0.00 C ATOM 540 C PRO A 34 -7.100 -13.835 -11.609 1.00 0.00 C ATOM 541 O PRO A 34 -6.847 -15.033 -11.472 1.00 0.00 O ATOM 542 CB PRO A 34 -7.295 -12.951 -13.950 1.00 0.00 C ATOM 543 CG PRO A 34 -7.110 -11.479 -13.820 1.00 0.00 C ATOM 544 CD PRO A 34 -8.328 -10.969 -13.101 1.00 0.00 C ATOM 0 HA PRO A 34 -8.751 -14.191 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.337 -13.466 -14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.852 -13.202 -14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.203 -11.248 -13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.010 -11.010 -14.799 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.092 -10.115 -12.466 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.100 -10.643 -13.799 1.00 0.00 H new ATOM 552 N LEU A 35 -6.566 -12.892 -10.841 1.00 0.00 N ATOM 553 CA LEU A 35 -5.630 -13.215 -9.770 1.00 0.00 C ATOM 554 C LEU A 35 -6.254 -14.192 -8.779 1.00 0.00 C ATOM 555 O LEU A 35 -5.835 -15.345 -8.681 1.00 0.00 O ATOM 556 CB LEU A 35 -5.196 -11.941 -9.044 1.00 0.00 C ATOM 557 CG LEU A 35 -3.955 -11.242 -9.599 1.00 0.00 C ATOM 558 CD1 LEU A 35 -4.203 -10.766 -11.022 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.556 -10.076 -8.707 1.00 0.00 C ATOM 0 H LEU A 35 -6.765 -11.897 -10.940 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.755 -13.687 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.026 -11.235 -9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.013 -12.187 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.134 -11.959 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.309 -10.271 -11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.441 -11.621 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.038 -10.065 -11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.671 -9.590 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.375 -9.358 -8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.336 -10.443 -7.705 1.00 0.00 H new ATOM 571 N GLY A 36 -7.259 -13.723 -8.046 1.00 0.00 N ATOM 572 CA GLY A 36 -7.926 -14.569 -7.073 1.00 0.00 C ATOM 573 C GLY A 36 -8.218 -13.842 -5.776 1.00 0.00 C ATOM 574 O GLY A 36 -9.257 -14.062 -5.152 1.00 0.00 O ATOM 0 H GLY A 36 -7.623 -12.772 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.860 -14.938 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.304 -15.439 -6.866 1.00 0.00 H new ATOM 578 N LEU A 37 -7.299 -12.974 -5.367 1.00 0.00 N ATOM 579 CA LEU A 37 -7.462 -12.212 -4.133 1.00 0.00 C ATOM 580 C LEU A 37 -8.583 -11.187 -4.270 1.00 0.00 C ATOM 581 O LEU A 37 -9.176 -11.039 -5.339 1.00 0.00 O ATOM 582 CB LEU A 37 -6.154 -11.509 -3.768 1.00 0.00 C ATOM 583 CG LEU A 37 -5.183 -12.306 -2.897 1.00 0.00 C ATOM 584 CD1 LEU A 37 -4.547 -13.431 -3.698 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.114 -11.392 -2.316 1.00 0.00 C ATOM 0 H LEU A 37 -6.434 -12.780 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.727 -12.908 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.642 -11.236 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.396 -10.581 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.743 -12.747 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.859 -13.987 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.324 -14.101 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.001 -13.012 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.432 -11.977 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.557 -10.922 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.586 -10.622 -1.706 1.00 0.00 H new ATOM 597 N SER A 38 -8.868 -10.479 -3.182 1.00 0.00 N ATOM 598 CA SER A 38 -9.919 -9.469 -3.180 1.00 0.00 C ATOM 599 C SER A 38 -9.323 -8.065 -3.240 1.00 0.00 C ATOM 600 O SER A 38 -8.306 -7.768 -2.614 1.00 0.00 O ATOM 601 CB SER A 38 -10.791 -9.611 -1.931 1.00 0.00 C ATOM 602 OG SER A 38 -10.031 -9.407 -0.753 1.00 0.00 O ATOM 0 H SER A 38 -8.385 -10.587 -2.290 1.00 0.00 H new ATOM 0 HA SER A 38 -10.537 -9.622 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.608 -8.890 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.242 -10.603 -1.909 1.00 0.00 H new ATOM 0 HG SER A 38 -10.587 -9.595 0.032 1.00 0.00 H new ATOM 608 N PRO A 39 -9.971 -7.181 -4.014 1.00 0.00 N ATOM 609 CA PRO A 39 -9.524 -5.794 -4.175 1.00 0.00 C ATOM 610 C PRO A 39 -9.716 -4.972 -2.905 1.00 0.00 C ATOM 611 O PRO A 39 -9.008 -3.991 -2.676 1.00 0.00 O ATOM 612 CB PRO A 39 -10.420 -5.262 -5.297 1.00 0.00 C ATOM 613 CG PRO A 39 -11.646 -6.106 -5.236 1.00 0.00 C ATOM 614 CD PRO A 39 -11.189 -7.467 -4.789 1.00 0.00 C ATOM 0 HA PRO A 39 -8.458 -5.732 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.657 -4.209 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.930 -5.345 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.372 -5.689 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.133 -6.158 -6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.944 -7.965 -4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.982 -8.120 -5.637 1.00 0.00 H new ATOM 622 N LYS A 40 -10.676 -5.378 -2.082 1.00 0.00 N ATOM 623 CA LYS A 40 -10.960 -4.681 -0.833 1.00 0.00 C ATOM 624 C LYS A 40 -9.842 -4.903 0.181 1.00 0.00 C ATOM 625 O LYS A 40 -9.338 -3.955 0.783 1.00 0.00 O ATOM 626 CB LYS A 40 -12.293 -5.157 -0.251 1.00 0.00 C ATOM 627 CG LYS A 40 -13.499 -4.423 -0.813 1.00 0.00 C ATOM 628 CD LYS A 40 -13.894 -4.963 -2.178 1.00 0.00 C ATOM 629 CE LYS A 40 -15.088 -4.214 -2.749 1.00 0.00 C ATOM 630 NZ LYS A 40 -14.674 -2.987 -3.484 1.00 0.00 N ATOM 0 H LYS A 40 -11.272 -6.187 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.025 -3.614 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.404 -6.224 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.273 -5.030 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.339 -4.521 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.274 -3.359 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.049 -4.879 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.134 -6.023 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.641 -4.870 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.766 -3.941 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.517 -2.505 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.169 -2.349 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.047 -3.249 -4.272 1.00 0.00 H new ATOM 644 N LYS A 41 -9.458 -6.162 0.364 1.00 0.00 N ATOM 645 CA LYS A 41 -8.398 -6.510 1.303 1.00 0.00 C ATOM 646 C LYS A 41 -7.072 -5.884 0.882 1.00 0.00 C ATOM 647 O LYS A 41 -6.366 -5.293 1.699 1.00 0.00 O ATOM 648 CB LYS A 41 -8.250 -8.030 1.396 1.00 0.00 C ATOM 649 CG LYS A 41 -7.764 -8.511 2.752 1.00 0.00 C ATOM 650 CD LYS A 41 -8.858 -8.414 3.803 1.00 0.00 C ATOM 651 CE LYS A 41 -8.395 -8.968 5.142 1.00 0.00 C ATOM 652 NZ LYS A 41 -9.110 -8.331 6.282 1.00 0.00 N ATOM 0 H LYS A 41 -9.865 -6.959 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.671 -6.117 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.212 -8.494 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.553 -8.367 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.425 -9.544 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.905 -7.917 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.158 -7.373 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.738 -8.962 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.560 -10.045 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.322 -8.807 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.767 -8.735 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.932 -7.306 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.131 -8.506 6.193 1.00 0.00 H new ATOM 666 N VAL A 42 -6.740 -6.017 -0.398 1.00 0.00 N ATOM 667 CA VAL A 42 -5.500 -5.462 -0.928 1.00 0.00 C ATOM 668 C VAL A 42 -5.542 -3.938 -0.944 1.00 0.00 C ATOM 669 O VAL A 42 -4.591 -3.276 -0.532 1.00 0.00 O ATOM 670 CB VAL A 42 -5.221 -5.972 -2.354 1.00 0.00 C ATOM 671 CG1 VAL A 42 -3.909 -5.407 -2.877 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.204 -7.493 -2.382 1.00 0.00 C ATOM 0 H VAL A 42 -7.312 -6.504 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.698 -5.793 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.023 -5.628 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.729 -5.779 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.963 -4.319 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.093 -5.718 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.006 -7.836 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.423 -7.860 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.171 -7.874 -2.053 1.00 0.00 H new ATOM 682 N GLY A 43 -6.654 -3.387 -1.424 1.00 0.00 N ATOM 683 CA GLY A 43 -6.800 -1.945 -1.484 1.00 0.00 C ATOM 684 C GLY A 43 -6.720 -1.296 -0.117 1.00 0.00 C ATOM 685 O GLY A 43 -6.049 -0.278 0.056 1.00 0.00 O ATOM 0 H GLY A 43 -7.455 -3.914 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.022 -1.531 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.757 -1.699 -1.944 1.00 0.00 H new ATOM 689 N ASP A 44 -7.406 -1.884 0.856 1.00 0.00 N ATOM 690 CA ASP A 44 -7.410 -1.356 2.216 1.00 0.00 C ATOM 691 C ASP A 44 -6.001 -1.352 2.801 1.00 0.00 C ATOM 692 O ASP A 44 -5.590 -0.389 3.448 1.00 0.00 O ATOM 693 CB ASP A 44 -8.342 -2.182 3.104 1.00 0.00 C ATOM 694 CG ASP A 44 -8.537 -1.561 4.473 1.00 0.00 C ATOM 695 OD1 ASP A 44 -8.736 -0.330 4.544 1.00 0.00 O ATOM 696 OD2 ASP A 44 -8.491 -2.306 5.475 1.00 0.00 O ATOM 0 H ASP A 44 -7.967 -2.727 0.729 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.772 -0.329 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.310 -2.285 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.934 -3.186 3.218 1.00 0.00 H new ATOM 701 N ASP A 45 -5.268 -2.435 2.571 1.00 0.00 N ATOM 702 CA ASP A 45 -3.905 -2.557 3.075 1.00 0.00 C ATOM 703 C ASP A 45 -3.014 -1.457 2.507 1.00 0.00 C ATOM 704 O ASP A 45 -2.257 -0.817 3.238 1.00 0.00 O ATOM 705 CB ASP A 45 -3.329 -3.929 2.724 1.00 0.00 C ATOM 706 CG ASP A 45 -3.633 -4.973 3.780 1.00 0.00 C ATOM 707 OD1 ASP A 45 -3.352 -4.714 4.968 1.00 0.00 O ATOM 708 OD2 ASP A 45 -4.152 -6.050 3.418 1.00 0.00 O ATOM 0 H ASP A 45 -5.595 -3.241 2.039 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.935 -2.451 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.735 -4.256 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.249 -3.845 2.600 1.00 0.00 H new ATOM 713 N ILE A 46 -3.110 -1.242 1.199 1.00 0.00 N ATOM 714 CA ILE A 46 -2.313 -0.220 0.533 1.00 0.00 C ATOM 715 C ILE A 46 -2.649 1.171 1.062 1.00 0.00 C ATOM 716 O ILE A 46 -1.759 1.980 1.319 1.00 0.00 O ATOM 717 CB ILE A 46 -2.529 -0.242 -0.992 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.115 -1.598 -1.568 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.747 0.882 -1.655 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.713 -1.885 -2.928 1.00 0.00 C ATOM 0 H ILE A 46 -3.732 -1.762 0.580 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.268 -0.446 0.747 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.589 -0.090 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.028 -1.635 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.414 -2.385 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.910 0.853 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.085 1.841 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.684 0.759 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.377 -2.862 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.801 -1.880 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.393 -1.120 -3.635 1.00 0.00 H new ATOM 732 N ALA A 47 -3.940 1.440 1.224 1.00 0.00 N ATOM 733 CA ALA A 47 -4.394 2.730 1.727 1.00 0.00 C ATOM 734 C ALA A 47 -3.760 3.048 3.077 1.00 0.00 C ATOM 735 O ALA A 47 -3.327 4.174 3.322 1.00 0.00 O ATOM 736 CB ALA A 47 -5.912 2.750 1.837 1.00 0.00 C ATOM 0 H ALA A 47 -4.690 0.781 1.014 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.082 3.498 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.237 3.720 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.350 2.578 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.238 1.967 2.522 1.00 0.00 H new ATOM 742 N LYS A 48 -3.709 2.048 3.950 1.00 0.00 N ATOM 743 CA LYS A 48 -3.127 2.219 5.276 1.00 0.00 C ATOM 744 C LYS A 48 -1.624 2.462 5.184 1.00 0.00 C ATOM 745 O LYS A 48 -1.069 3.271 5.927 1.00 0.00 O ATOM 746 CB LYS A 48 -3.403 0.987 6.140 1.00 0.00 C ATOM 747 CG LYS A 48 -3.032 1.173 7.601 1.00 0.00 C ATOM 748 CD LYS A 48 -1.582 0.801 7.860 1.00 0.00 C ATOM 749 CE LYS A 48 -1.067 1.426 9.148 1.00 0.00 C ATOM 750 NZ LYS A 48 -0.602 2.825 8.938 1.00 0.00 N ATOM 0 H LYS A 48 -4.064 1.110 3.763 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.590 3.091 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.461 0.736 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.848 0.140 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.200 2.210 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.683 0.559 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.488 -0.283 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.966 1.130 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.857 1.415 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.246 0.825 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.395 2.906 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.697 3.075 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.179 3.472 9.512 1.00 0.00 H new ATOM 764 N ALA A 49 -0.970 1.756 4.266 1.00 0.00 N ATOM 765 CA ALA A 49 0.468 1.897 4.075 1.00 0.00 C ATOM 766 C ALA A 49 0.826 3.311 3.629 1.00 0.00 C ATOM 767 O ALA A 49 1.846 3.864 4.041 1.00 0.00 O ATOM 768 CB ALA A 49 0.967 0.879 3.060 1.00 0.00 C ATOM 0 H ALA A 49 -1.414 1.081 3.643 1.00 0.00 H new ATOM 0 HA ALA A 49 0.957 1.711 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.043 0.995 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.753 -0.128 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.464 1.039 2.106 1.00 0.00 H new ATOM 774 N THR A 50 -0.020 3.892 2.784 1.00 0.00 N ATOM 775 CA THR A 50 0.208 5.241 2.280 1.00 0.00 C ATOM 776 C THR A 50 -0.458 6.281 3.173 1.00 0.00 C ATOM 777 O THR A 50 -0.719 7.405 2.746 1.00 0.00 O ATOM 778 CB THR A 50 -0.320 5.401 0.842 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.732 5.164 0.810 1.00 0.00 O ATOM 780 CG2 THR A 50 0.382 4.438 -0.103 1.00 0.00 C ATOM 0 H THR A 50 -0.870 3.449 2.434 1.00 0.00 H new ATOM 0 HA THR A 50 1.286 5.401 2.282 1.00 0.00 H new ATOM 0 HB THR A 50 -0.115 6.420 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.030 4.845 1.687 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.008 4.570 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.453 4.640 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.204 3.413 0.224 1.00 0.00 H new ATOM 788 N GLY A 51 -0.730 5.899 4.418 1.00 0.00 N ATOM 789 CA GLY A 51 -1.364 6.811 5.352 1.00 0.00 C ATOM 790 C GLY A 51 -0.376 7.773 5.983 1.00 0.00 C ATOM 791 O GLY A 51 -0.761 8.831 6.480 1.00 0.00 O ATOM 0 H GLY A 51 -0.522 4.975 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.138 7.377 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.859 6.238 6.136 1.00 0.00 H new ATOM 795 N ASP A 52 0.900 7.403 5.966 1.00 0.00 N ATOM 796 CA ASP A 52 1.946 8.241 6.542 1.00 0.00 C ATOM 797 C ASP A 52 2.422 9.284 5.536 1.00 0.00 C ATOM 798 O ASP A 52 2.888 10.359 5.916 1.00 0.00 O ATOM 799 CB ASP A 52 3.125 7.379 6.998 1.00 0.00 C ATOM 800 CG ASP A 52 4.166 8.178 7.758 1.00 0.00 C ATOM 801 OD1 ASP A 52 3.774 9.021 8.593 1.00 0.00 O ATOM 802 OD2 ASP A 52 5.371 7.960 7.518 1.00 0.00 O ATOM 0 H ASP A 52 1.235 6.529 5.560 1.00 0.00 H new ATOM 0 HA ASP A 52 1.529 8.759 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.758 6.571 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.591 6.916 6.128 1.00 0.00 H new ATOM 807 N TRP A 53 2.302 8.961 4.254 1.00 0.00 N ATOM 808 CA TRP A 53 2.721 9.870 3.194 1.00 0.00 C ATOM 809 C TRP A 53 1.597 10.087 2.187 1.00 0.00 C ATOM 810 O TRP A 53 1.831 10.132 0.979 1.00 0.00 O ATOM 811 CB TRP A 53 3.960 9.322 2.484 1.00 0.00 C ATOM 812 CG TRP A 53 3.990 7.826 2.413 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.439 7.039 1.442 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.603 6.936 3.353 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.672 5.714 1.722 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.385 5.624 2.888 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.316 7.119 4.541 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.853 4.505 3.571 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.780 6.008 5.217 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.548 4.714 4.731 1.00 0.00 C ATOM 0 H TRP A 53 1.918 8.076 3.923 1.00 0.00 H new ATOM 0 HA TRP A 53 2.966 10.830 3.649 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.000 9.728 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.852 9.672 3.003 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.899 7.404 0.581 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.364 4.925 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.501 8.112 4.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.674 3.507 3.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.331 6.138 6.136 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.925 3.866 5.283 1.00 0.00 H new ATOM 831 N LYS A 54 0.375 10.222 2.691 1.00 0.00 N ATOM 832 CA LYS A 54 -0.787 10.436 1.835 1.00 0.00 C ATOM 833 C LYS A 54 -0.526 11.557 0.835 1.00 0.00 C ATOM 834 O LYS A 54 0.259 12.467 1.098 1.00 0.00 O ATOM 835 CB LYS A 54 -2.016 10.770 2.684 1.00 0.00 C ATOM 836 CG LYS A 54 -2.016 12.190 3.221 1.00 0.00 C ATOM 837 CD LYS A 54 -1.379 12.265 4.599 1.00 0.00 C ATOM 838 CE LYS A 54 -2.409 12.071 5.701 1.00 0.00 C ATOM 839 NZ LYS A 54 -2.600 10.632 6.033 1.00 0.00 N ATOM 0 H LYS A 54 0.163 10.187 3.688 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.975 9.516 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.914 10.617 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.069 10.074 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.475 12.840 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.040 12.561 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.605 11.503 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.890 13.231 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.092 12.611 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.361 12.501 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.995 10.546 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.254 10.202 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.684 10.142 5.991 1.00 0.00 H new ATOM 853 N GLY A 55 -1.193 11.486 -0.314 1.00 0.00 N ATOM 854 CA GLY A 55 -1.020 12.502 -1.335 1.00 0.00 C ATOM 855 C GLY A 55 0.242 12.298 -2.149 1.00 0.00 C ATOM 856 O GLY A 55 0.239 12.472 -3.369 1.00 0.00 O ATOM 0 H GLY A 55 -1.849 10.743 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.883 12.494 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.990 13.484 -0.864 1.00 0.00 H new ATOM 860 N LEU A 56 1.326 11.929 -1.475 1.00 0.00 N ATOM 861 CA LEU A 56 2.602 11.702 -2.143 1.00 0.00 C ATOM 862 C LEU A 56 2.593 10.377 -2.899 1.00 0.00 C ATOM 863 O LEU A 56 1.945 9.417 -2.481 1.00 0.00 O ATOM 864 CB LEU A 56 3.743 11.713 -1.124 1.00 0.00 C ATOM 865 CG LEU A 56 4.076 13.071 -0.505 1.00 0.00 C ATOM 866 CD1 LEU A 56 2.928 13.556 0.368 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.363 12.988 0.302 1.00 0.00 C ATOM 0 H LEU A 56 1.346 11.781 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 56 2.756 12.508 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.492 11.021 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.640 11.327 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 56 4.222 13.790 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.183 14.524 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.027 13.655 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.750 12.837 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.584 13.963 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.245 12.255 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.183 12.686 -0.350 1.00 0.00 H new ATOM 879 N ARG A 57 3.319 10.331 -4.011 1.00 0.00 N ATOM 880 CA ARG A 57 3.395 9.124 -4.825 1.00 0.00 C ATOM 881 C ARG A 57 4.642 8.314 -4.479 1.00 0.00 C ATOM 882 O ARG A 57 5.710 8.875 -4.233 1.00 0.00 O ATOM 883 CB ARG A 57 3.404 9.484 -6.311 1.00 0.00 C ATOM 884 CG ARG A 57 4.644 10.247 -6.746 1.00 0.00 C ATOM 885 CD ARG A 57 5.747 9.305 -7.203 1.00 0.00 C ATOM 886 NE ARG A 57 6.967 10.023 -7.560 1.00 0.00 N ATOM 887 CZ ARG A 57 7.078 10.792 -8.637 1.00 0.00 C ATOM 888 NH1 ARG A 57 6.047 10.944 -9.457 1.00 0.00 N ATOM 889 NH2 ARG A 57 8.222 11.413 -8.896 1.00 0.00 N ATOM 0 H ARG A 57 3.863 11.116 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 57 2.516 8.516 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.326 8.569 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.522 10.083 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.387 10.929 -7.557 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.005 10.858 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.966 8.591 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.400 8.730 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 57 7.778 9.929 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.165 10.470 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.135 11.535 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.017 11.300 -8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.306 12.003 -9.724 1.00 0.00 H new ATOM 903 N ILE A 58 4.497 6.993 -4.463 1.00 0.00 N ATOM 904 CA ILE A 58 5.611 6.107 -4.149 1.00 0.00 C ATOM 905 C ILE A 58 5.467 4.768 -4.865 1.00 0.00 C ATOM 906 O ILE A 58 4.373 4.391 -5.287 1.00 0.00 O ATOM 907 CB ILE A 58 5.720 5.856 -2.633 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.516 5.052 -2.139 1.00 0.00 C ATOM 909 CG2 ILE A 58 5.826 7.177 -1.885 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.281 5.893 -1.907 1.00 0.00 C ATOM 0 H ILE A 58 3.620 6.513 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 58 6.517 6.605 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 58 6.623 5.277 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.285 4.275 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.782 4.548 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.902 6.984 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.712 7.715 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.939 7.779 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.468 5.257 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.495 6.654 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.989 6.376 -2.840 1.00 0.00 H new ATOM 922 N THR A 59 6.579 4.052 -4.998 1.00 0.00 N ATOM 923 CA THR A 59 6.578 2.755 -5.662 1.00 0.00 C ATOM 924 C THR A 59 6.383 1.624 -4.659 1.00 0.00 C ATOM 925 O THR A 59 7.154 1.482 -3.710 1.00 0.00 O ATOM 926 CB THR A 59 7.888 2.519 -6.437 1.00 0.00 C ATOM 927 OG1 THR A 59 8.121 3.599 -7.347 1.00 0.00 O ATOM 928 CG2 THR A 59 7.835 1.206 -7.203 1.00 0.00 C ATOM 0 H THR A 59 7.492 4.349 -4.654 1.00 0.00 H new ATOM 0 HA THR A 59 5.745 2.761 -6.365 1.00 0.00 H new ATOM 0 HB THR A 59 8.705 2.469 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.957 3.442 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.771 1.061 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.688 0.383 -6.504 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.008 1.232 -7.912 1.00 0.00 H new ATOM 936 N VAL A 60 5.347 0.819 -4.875 1.00 0.00 N ATOM 937 CA VAL A 60 5.052 -0.301 -3.990 1.00 0.00 C ATOM 938 C VAL A 60 5.289 -1.633 -4.693 1.00 0.00 C ATOM 939 O VAL A 60 4.960 -1.796 -5.868 1.00 0.00 O ATOM 940 CB VAL A 60 3.597 -0.251 -3.487 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.298 -1.447 -2.596 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.333 1.053 -2.750 1.00 0.00 C ATOM 0 H VAL A 60 4.698 0.922 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 60 5.726 -0.217 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 60 2.931 -0.296 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.266 -1.394 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.445 -2.367 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.969 -1.438 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.300 1.071 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.006 1.131 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.504 1.893 -3.424 1.00 0.00 H new ATOM 952 N LYS A 61 5.863 -2.585 -3.965 1.00 0.00 N ATOM 953 CA LYS A 61 6.144 -3.906 -4.516 1.00 0.00 C ATOM 954 C LYS A 61 5.185 -4.948 -3.949 1.00 0.00 C ATOM 955 O LYS A 61 5.212 -5.246 -2.754 1.00 0.00 O ATOM 956 CB LYS A 61 7.589 -4.310 -4.214 1.00 0.00 C ATOM 957 CG LYS A 61 8.040 -5.554 -4.959 1.00 0.00 C ATOM 958 CD LYS A 61 9.301 -6.143 -4.348 1.00 0.00 C ATOM 959 CE LYS A 61 8.973 -7.160 -3.266 1.00 0.00 C ATOM 960 NZ LYS A 61 10.150 -7.445 -2.398 1.00 0.00 N ATOM 0 H LYS A 61 6.143 -2.466 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 61 6.004 -3.859 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.250 -3.483 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.694 -4.480 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.244 -6.298 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.222 -5.307 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.896 -6.619 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.909 -5.344 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.152 -6.787 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.631 -8.085 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.886 -8.143 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.925 -7.825 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.461 -6.567 -1.936 1.00 0.00 H new ATOM 974 N LEU A 62 4.339 -5.499 -4.812 1.00 0.00 N ATOM 975 CA LEU A 62 3.372 -6.509 -4.398 1.00 0.00 C ATOM 976 C LEU A 62 3.842 -7.906 -4.790 1.00 0.00 C ATOM 977 O LEU A 62 4.081 -8.185 -5.966 1.00 0.00 O ATOM 978 CB LEU A 62 2.006 -6.223 -5.023 1.00 0.00 C ATOM 979 CG LEU A 62 1.415 -4.841 -4.743 1.00 0.00 C ATOM 980 CD1 LEU A 62 0.191 -4.597 -5.612 1.00 0.00 C ATOM 981 CD2 LEU A 62 1.062 -4.700 -3.270 1.00 0.00 C ATOM 0 H LEU A 62 4.303 -5.263 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 62 3.283 -6.467 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.090 -6.348 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.302 -6.976 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 62 2.165 -4.090 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.216 -3.608 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.474 -4.654 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.564 -5.354 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.643 -3.710 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.329 -5.460 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.961 -4.829 -2.667 1.00 0.00 H new ATOM 993 N THR A 63 3.970 -8.782 -3.799 1.00 0.00 N ATOM 994 CA THR A 63 4.409 -10.151 -4.040 1.00 0.00 C ATOM 995 C THR A 63 3.288 -11.146 -3.762 1.00 0.00 C ATOM 996 O THR A 63 2.853 -11.302 -2.621 1.00 0.00 O ATOM 997 CB THR A 63 5.628 -10.511 -3.170 1.00 0.00 C ATOM 998 OG1 THR A 63 6.618 -9.482 -3.263 1.00 0.00 O ATOM 999 CG2 THR A 63 6.228 -11.841 -3.602 1.00 0.00 C ATOM 0 H THR A 63 3.776 -8.568 -2.821 1.00 0.00 H new ATOM 0 HA THR A 63 4.691 -10.212 -5.091 1.00 0.00 H new ATOM 0 HB THR A 63 5.294 -10.600 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.389 -9.718 -2.706 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.087 -12.074 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.480 -12.628 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.547 -11.776 -4.642 1.00 0.00 H new ATOM 1007 N ILE A 64 2.825 -11.816 -4.812 1.00 0.00 N ATOM 1008 CA ILE A 64 1.756 -12.798 -4.679 1.00 0.00 C ATOM 1009 C ILE A 64 2.279 -14.214 -4.891 1.00 0.00 C ATOM 1010 O ILE A 64 2.825 -14.532 -5.948 1.00 0.00 O ATOM 1011 CB ILE A 64 0.617 -12.528 -5.681 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.203 -11.314 -5.239 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.273 -13.755 -5.814 1.00 0.00 C ATOM 1014 CD1 ILE A 64 0.622 -10.240 -4.566 1.00 0.00 C ATOM 0 H ILE A 64 3.173 -11.697 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 64 1.368 -12.706 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 64 1.054 -12.312 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.701 -10.886 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.984 -11.643 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.073 -13.549 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.320 -14.598 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.704 -13.998 -4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.025 -9.410 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.099 -10.652 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.387 -9.883 -5.256 1.00 0.00 H new ATOM 1026 N GLN A 65 2.107 -15.060 -3.881 1.00 0.00 N ATOM 1027 CA GLN A 65 2.562 -16.444 -3.958 1.00 0.00 C ATOM 1028 C GLN A 65 1.634 -17.366 -3.175 1.00 0.00 C ATOM 1029 O GLN A 65 1.404 -17.165 -1.984 1.00 0.00 O ATOM 1030 CB GLN A 65 3.990 -16.564 -3.423 1.00 0.00 C ATOM 1031 CG GLN A 65 4.114 -16.246 -1.942 1.00 0.00 C ATOM 1032 CD GLN A 65 5.548 -16.288 -1.454 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.049 -17.339 -1.053 1.00 0.00 O ATOM 1034 NE2 GLN A 65 6.218 -15.142 -1.484 1.00 0.00 N ATOM 0 H GLN A 65 1.656 -14.812 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 65 2.547 -16.747 -5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.351 -17.577 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.638 -15.892 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.698 -15.257 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.519 -16.958 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.764 -14.294 -1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.187 -15.109 -1.167 1.00 0.00 H new ATOM 1043 N ASN A 66 1.103 -18.378 -3.854 1.00 0.00 N ATOM 1044 CA ASN A 66 0.199 -19.332 -3.222 1.00 0.00 C ATOM 1045 C ASN A 66 -1.005 -18.618 -2.613 1.00 0.00 C ATOM 1046 O ASN A 66 -1.355 -18.848 -1.455 1.00 0.00 O ATOM 1047 CB ASN A 66 0.935 -20.126 -2.141 1.00 0.00 C ATOM 1048 CG ASN A 66 2.376 -20.416 -2.517 1.00 0.00 C ATOM 1049 OD1 ASN A 66 3.305 -19.841 -1.950 1.00 0.00 O ATOM 1050 ND2 ASN A 66 2.567 -21.311 -3.479 1.00 0.00 N ATOM 0 H ASN A 66 1.283 -18.558 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.157 -20.020 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.912 -19.568 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.412 -21.066 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.514 -21.547 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.767 -21.763 -3.921 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.634 -17.754 -3.401 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.798 -17.006 -2.940 1.00 0.00 C ATOM 1059 C ARG A 67 -2.445 -16.139 -1.735 1.00 0.00 C ATOM 1060 O ARG A 67 -3.119 -16.186 -0.707 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.935 -17.964 -2.577 1.00 0.00 C ATOM 1062 CG ARG A 67 -4.294 -18.932 -3.692 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.081 -20.122 -3.164 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.910 -20.732 -4.200 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.347 -21.986 -4.147 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.035 -22.757 -3.115 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -7.098 -22.470 -5.129 1.00 0.00 N ATOM 0 H ARG A 67 -1.358 -17.554 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.125 -16.355 -3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.651 -18.532 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.819 -17.383 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.881 -18.414 -4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.384 -19.283 -4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.390 -20.866 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.713 -19.800 -2.336 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.168 -20.165 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.458 -22.388 -2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.372 -23.719 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.340 -21.879 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.433 -23.433 -5.088 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.384 -15.350 -1.871 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.941 -14.474 -0.793 1.00 0.00 C ATOM 1083 C GLN A 68 -0.746 -13.047 -1.297 1.00 0.00 C ATOM 1084 O GLN A 68 -0.594 -12.817 -2.496 1.00 0.00 O ATOM 1085 CB GLN A 68 0.362 -14.996 -0.186 1.00 0.00 C ATOM 1086 CG GLN A 68 0.257 -16.412 0.356 1.00 0.00 C ATOM 1087 CD GLN A 68 -0.505 -16.481 1.665 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -1.709 -16.223 1.710 1.00 0.00 O ATOM 1089 NE2 GLN A 68 0.193 -16.830 2.739 1.00 0.00 N ATOM 0 H GLN A 68 -0.816 -15.299 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.714 -14.466 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.145 -14.963 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.670 -14.330 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.238 -17.044 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.259 -16.817 0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.189 -17.035 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.266 -16.893 3.647 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.752 -12.093 -0.372 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.575 -10.689 -0.722 1.00 0.00 C ATOM 1100 C ALA A 69 0.398 -10.004 0.233 1.00 0.00 C ATOM 1101 O ALA A 69 0.310 -10.174 1.448 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.915 -9.970 -0.718 1.00 0.00 C ATOM 0 H ALA A 69 -0.877 -12.267 0.625 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.153 -10.641 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.767 -8.923 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.580 -10.436 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.360 -10.035 0.275 1.00 0.00 H new ATOM 1108 N GLN A 70 1.324 -9.232 -0.327 1.00 0.00 N ATOM 1109 CA GLN A 70 2.313 -8.523 0.476 1.00 0.00 C ATOM 1110 C GLN A 70 2.477 -7.085 -0.006 1.00 0.00 C ATOM 1111 O GLN A 70 2.430 -6.814 -1.206 1.00 0.00 O ATOM 1112 CB GLN A 70 3.659 -9.248 0.421 1.00 0.00 C ATOM 1113 CG GLN A 70 3.817 -10.320 1.487 1.00 0.00 C ATOM 1114 CD GLN A 70 5.022 -11.208 1.248 1.00 0.00 C ATOM 1115 OE1 GLN A 70 6.098 -10.731 0.889 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.846 -12.510 1.445 1.00 0.00 N ATOM 0 H GLN A 70 1.410 -9.082 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 70 1.960 -8.503 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.776 -9.705 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.460 -8.517 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.909 -9.845 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.917 -10.935 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.936 -12.862 1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.621 -13.157 1.299 1.00 0.00 H new ATOM 1125 N ILE A 71 2.667 -6.169 0.937 1.00 0.00 N ATOM 1126 CA ILE A 71 2.838 -4.759 0.608 1.00 0.00 C ATOM 1127 C ILE A 71 4.129 -4.208 1.204 1.00 0.00 C ATOM 1128 O ILE A 71 4.384 -4.354 2.399 1.00 0.00 O ATOM 1129 CB ILE A 71 1.652 -3.916 1.112 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.342 -4.252 2.572 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.428 -4.148 0.238 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.284 -3.363 3.186 1.00 0.00 C ATOM 0 H ILE A 71 2.706 -6.377 1.935 1.00 0.00 H new ATOM 0 HA ILE A 71 2.885 -4.692 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 71 1.923 -2.862 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.015 -5.290 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.258 -4.170 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.402 -3.545 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.655 -3.863 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.153 -5.202 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.116 -3.659 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.617 -2.326 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.645 -3.463 2.625 1.00 0.00 H new ATOM 1144 N GLU A 72 4.938 -3.572 0.363 1.00 0.00 N ATOM 1145 CA GLU A 72 6.203 -2.997 0.808 1.00 0.00 C ATOM 1146 C GLU A 72 6.585 -1.794 -0.049 1.00 0.00 C ATOM 1147 O GLU A 72 6.434 -1.814 -1.270 1.00 0.00 O ATOM 1148 CB GLU A 72 7.313 -4.049 0.754 1.00 0.00 C ATOM 1149 CG GLU A 72 8.632 -3.572 1.339 1.00 0.00 C ATOM 1150 CD GLU A 72 8.540 -3.283 2.825 1.00 0.00 C ATOM 1151 OE1 GLU A 72 7.947 -2.247 3.192 1.00 0.00 O ATOM 1152 OE2 GLU A 72 9.062 -4.092 3.620 1.00 0.00 O ATOM 0 H GLU A 72 4.741 -3.442 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 72 6.079 -2.662 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.986 -4.938 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.471 -4.345 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.397 -4.329 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.952 -2.671 0.816 1.00 0.00 H new ATOM 1159 N VAL A 73 7.080 -0.745 0.602 1.00 0.00 N ATOM 1160 CA VAL A 73 7.484 0.468 -0.099 1.00 0.00 C ATOM 1161 C VAL A 73 9.001 0.542 -0.239 1.00 0.00 C ATOM 1162 O VAL A 73 9.736 0.286 0.714 1.00 0.00 O ATOM 1163 CB VAL A 73 6.985 1.730 0.629 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.449 2.984 -0.096 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.469 1.707 0.755 1.00 0.00 C ATOM 0 H VAL A 73 7.211 -0.711 1.613 1.00 0.00 H new ATOM 0 HA VAL A 73 7.032 0.427 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 73 7.410 1.742 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.087 3.865 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.538 3.003 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.055 2.984 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.133 2.606 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.022 1.671 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.164 0.827 1.322 1.00 0.00 H new ATOM 1175 N VAL A 74 9.463 0.895 -1.435 1.00 0.00 N ATOM 1176 CA VAL A 74 10.892 1.004 -1.700 1.00 0.00 C ATOM 1177 C VAL A 74 11.451 2.319 -1.166 1.00 0.00 C ATOM 1178 O VAL A 74 10.793 3.359 -1.196 1.00 0.00 O ATOM 1179 CB VAL A 74 11.192 0.906 -3.208 1.00 0.00 C ATOM 1180 CG1 VAL A 74 11.057 -0.531 -3.686 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.272 1.827 -3.995 1.00 0.00 C ATOM 0 H VAL A 74 8.868 1.110 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 74 11.374 0.172 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 74 12.220 1.226 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.272 -0.581 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.761 -1.162 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.041 -0.881 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.498 1.745 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.235 1.540 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.423 2.856 -3.670 1.00 0.00 H new ATOM 1191 N PRO A 75 12.695 2.273 -0.667 1.00 0.00 N ATOM 1192 CA PRO A 75 13.371 3.453 -0.118 1.00 0.00 C ATOM 1193 C PRO A 75 13.735 4.467 -1.197 1.00 0.00 C ATOM 1194 O PRO A 75 13.939 5.646 -0.910 1.00 0.00 O ATOM 1195 CB PRO A 75 14.635 2.872 0.520 1.00 0.00 C ATOM 1196 CG PRO A 75 14.890 1.608 -0.227 1.00 0.00 C ATOM 1197 CD PRO A 75 13.537 1.068 -0.600 1.00 0.00 C ATOM 0 HA PRO A 75 12.737 3.998 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.475 3.560 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.490 2.681 1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.494 1.794 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.439 0.895 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.563 0.543 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.168 0.361 0.143 1.00 0.00 H new