USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 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+ -175:sc= 0 (180deg=-0.0342) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 170:sc= -1.12 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.954 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0442 (180deg=-0.302) USER MOD Single : A 38 SER OG : rot -148:sc= -0.472 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0464) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0602) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc=-0.00536 (180deg=-0.109) USER MOD Single : A 50 THR OG1 : rot -66:sc= 0.982 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.6!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 9.214 -16.803 -7.171 1.00 0.00 N ATOM 192 CA VAL A 10 8.515 -15.608 -6.714 1.00 0.00 C ATOM 193 C VAL A 10 8.094 -14.734 -7.891 1.00 0.00 C ATOM 194 O VAL A 10 8.736 -14.736 -8.941 1.00 0.00 O ATOM 195 CB VAL A 10 9.391 -14.775 -5.759 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.549 -13.746 -5.022 1.00 0.00 C ATOM 197 CG2 VAL A 10 10.120 -15.682 -4.779 1.00 0.00 C ATOM 0 HA VAL A 10 7.627 -15.946 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 10 10.137 -14.242 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.185 -13.167 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.078 -13.077 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.779 -14.254 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.734 -15.078 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.393 -16.244 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.756 -16.375 -5.329 1.00 0.00 H new ATOM 207 N LYS A 11 7.010 -13.988 -7.708 1.00 0.00 N ATOM 208 CA LYS A 11 6.502 -13.107 -8.753 1.00 0.00 C ATOM 209 C LYS A 11 6.080 -11.761 -8.173 1.00 0.00 C ATOM 210 O LYS A 11 5.193 -11.691 -7.322 1.00 0.00 O ATOM 211 CB LYS A 11 5.317 -13.760 -9.468 1.00 0.00 C ATOM 212 CG LYS A 11 4.639 -12.851 -10.478 1.00 0.00 C ATOM 213 CD LYS A 11 5.487 -12.674 -11.726 1.00 0.00 C ATOM 214 CE LYS A 11 4.869 -11.664 -12.681 1.00 0.00 C ATOM 215 NZ LYS A 11 3.577 -12.149 -13.242 1.00 0.00 N ATOM 0 H LYS A 11 6.466 -13.976 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 11 7.304 -12.938 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.662 -14.660 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.584 -14.074 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.670 -13.268 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.450 -11.878 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.487 -12.345 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.598 -13.634 -12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.707 -10.722 -12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.565 -11.461 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.230 -11.472 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.719 -13.077 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.878 -12.238 -12.477 1.00 0.00 H new ATOM 229 N VAL A 12 6.720 -10.694 -8.639 1.00 0.00 N ATOM 230 CA VAL A 12 6.409 -9.349 -8.168 1.00 0.00 C ATOM 231 C VAL A 12 5.960 -8.454 -9.318 1.00 0.00 C ATOM 232 O VAL A 12 6.541 -8.481 -10.403 1.00 0.00 O ATOM 233 CB VAL A 12 7.622 -8.703 -7.473 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.316 -7.262 -7.094 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.026 -9.511 -6.249 1.00 0.00 C ATOM 0 H VAL A 12 7.457 -10.734 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 12 5.596 -9.446 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 12 8.459 -8.699 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.185 -6.822 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.079 -6.692 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.465 -7.238 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.885 -9.041 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.193 -9.548 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.290 -10.524 -6.553 1.00 0.00 H new ATOM 245 N VAL A 13 4.922 -7.661 -9.072 1.00 0.00 N ATOM 246 CA VAL A 13 4.395 -6.755 -10.086 1.00 0.00 C ATOM 247 C VAL A 13 4.548 -5.301 -9.657 1.00 0.00 C ATOM 248 O VAL A 13 4.388 -4.969 -8.482 1.00 0.00 O ATOM 249 CB VAL A 13 2.910 -7.041 -10.376 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.032 -6.479 -9.268 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.511 -6.466 -11.727 1.00 0.00 C ATOM 0 H VAL A 13 4.429 -7.628 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 13 4.974 -6.925 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 13 2.765 -8.121 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.986 -6.691 -9.490 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.302 -6.942 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.178 -5.401 -9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.458 -6.677 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.670 -5.388 -11.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.118 -6.921 -12.510 1.00 0.00 H new ATOM 261 N TYR A 14 4.857 -4.436 -10.616 1.00 0.00 N ATOM 262 CA TYR A 14 5.033 -3.015 -10.337 1.00 0.00 C ATOM 263 C TYR A 14 3.878 -2.200 -10.911 1.00 0.00 C ATOM 264 O TYR A 14 3.498 -2.371 -12.070 1.00 0.00 O ATOM 265 CB TYR A 14 6.359 -2.521 -10.918 1.00 0.00 C ATOM 266 CG TYR A 14 7.570 -2.978 -10.136 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.747 -4.317 -9.812 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.537 -2.070 -9.721 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.851 -4.740 -9.097 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.645 -2.484 -9.008 1.00 0.00 C ATOM 271 CZ TYR A 14 9.798 -3.819 -8.698 1.00 0.00 C ATOM 272 OH TYR A 14 10.900 -4.235 -7.986 1.00 0.00 O ATOM 0 H TYR A 14 4.991 -4.693 -11.594 1.00 0.00 H new ATOM 0 HA TYR A 14 5.045 -2.881 -9.255 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.448 -2.870 -11.947 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.348 -1.432 -10.951 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.008 -5.040 -10.125 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.420 -1.023 -9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.972 -5.785 -8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.388 -1.766 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 14 11.469 -3.463 -7.784 1.00 0.00 H new ATOM 282 N LEU A 15 3.324 -1.313 -10.092 1.00 0.00 N ATOM 283 CA LEU A 15 2.213 -0.469 -10.516 1.00 0.00 C ATOM 284 C LEU A 15 2.418 0.972 -10.061 1.00 0.00 C ATOM 285 O LEU A 15 3.030 1.224 -9.023 1.00 0.00 O ATOM 286 CB LEU A 15 0.895 -1.010 -9.959 1.00 0.00 C ATOM 287 CG LEU A 15 0.282 -2.192 -10.710 1.00 0.00 C ATOM 288 CD1 LEU A 15 0.085 -1.847 -12.178 1.00 0.00 C ATOM 289 CD2 LEU A 15 1.158 -3.428 -10.564 1.00 0.00 C ATOM 0 H LEU A 15 3.626 -1.160 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 15 2.173 -0.483 -11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.057 -1.308 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.169 -0.197 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.694 -2.408 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.352 -2.700 -12.697 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.582 -0.989 -12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.048 -1.604 -12.627 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.707 -4.260 -11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.147 -3.223 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.248 -3.687 -9.509 1.00 0.00 H new ATOM 301 N ARG A 16 1.901 1.914 -10.843 1.00 0.00 N ATOM 302 CA ARG A 16 2.027 3.329 -10.519 1.00 0.00 C ATOM 303 C ARG A 16 0.676 3.919 -10.125 1.00 0.00 C ATOM 304 O ARG A 16 -0.261 3.938 -10.924 1.00 0.00 O ATOM 305 CB ARG A 16 2.602 4.098 -11.711 1.00 0.00 C ATOM 306 CG ARG A 16 4.076 3.821 -11.959 1.00 0.00 C ATOM 307 CD ARG A 16 4.271 2.623 -12.876 1.00 0.00 C ATOM 308 NE ARG A 16 4.079 2.971 -14.281 1.00 0.00 N ATOM 309 CZ ARG A 16 4.180 2.097 -15.275 1.00 0.00 C ATOM 310 NH1 ARG A 16 4.469 0.828 -15.020 1.00 0.00 N ATOM 311 NH2 ARG A 16 3.991 2.490 -16.528 1.00 0.00 N ATOM 0 H ARG A 16 1.391 1.722 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 16 2.707 3.423 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.037 3.840 -12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.465 5.166 -11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.543 4.700 -12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.578 3.639 -11.009 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.274 2.219 -12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.569 1.836 -12.598 1.00 0.00 H new ATOM 0 HE ARG A 16 3.855 3.939 -14.511 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.614 0.521 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.546 0.159 -15.786 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.768 3.465 -16.729 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.069 1.817 -17.291 1.00 0.00 H new ATOM 325 N CYS A 17 0.584 4.399 -8.890 1.00 0.00 N ATOM 326 CA CYS A 17 -0.653 4.988 -8.388 1.00 0.00 C ATOM 327 C CYS A 17 -0.375 5.915 -7.209 1.00 0.00 C ATOM 328 O CYS A 17 0.722 5.913 -6.649 1.00 0.00 O ATOM 329 CB CYS A 17 -1.632 3.890 -7.970 1.00 0.00 C ATOM 330 SG CYS A 17 -3.361 4.418 -7.936 1.00 0.00 S ATOM 0 H CYS A 17 1.351 4.392 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.099 5.575 -9.191 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.533 3.049 -8.657 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.354 3.528 -6.980 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.129 3.380 -7.783 1.00 0.00 H new ATOM 336 N THR A 18 -1.375 6.708 -6.838 1.00 0.00 N ATOM 337 CA THR A 18 -1.238 7.642 -5.728 1.00 0.00 C ATOM 338 C THR A 18 -1.271 6.914 -4.389 1.00 0.00 C ATOM 339 O THR A 18 -2.000 5.937 -4.221 1.00 0.00 O ATOM 340 CB THR A 18 -2.351 8.707 -5.749 1.00 0.00 C ATOM 341 OG1 THR A 18 -2.104 9.653 -6.795 1.00 0.00 O ATOM 342 CG2 THR A 18 -2.433 9.430 -4.413 1.00 0.00 C ATOM 0 H THR A 18 -2.289 6.722 -7.290 1.00 0.00 H new ATOM 0 HA THR A 18 -0.273 8.134 -5.847 1.00 0.00 H new ATOM 0 HB THR A 18 -3.301 8.205 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.817 10.326 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.226 10.177 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.650 8.711 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.482 9.921 -4.206 1.00 0.00 H new ATOM 350 N GLY A 19 -0.478 7.397 -3.438 1.00 0.00 N ATOM 351 CA GLY A 19 -0.432 6.780 -2.126 1.00 0.00 C ATOM 352 C GLY A 19 -1.760 6.865 -1.399 1.00 0.00 C ATOM 353 O GLY A 19 -2.216 7.953 -1.050 1.00 0.00 O ATOM 0 H GLY A 19 0.134 8.205 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.144 5.734 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.339 7.265 -1.527 1.00 0.00 H new ATOM 357 N GLY A 20 -2.383 5.713 -1.171 1.00 0.00 N ATOM 358 CA GLY A 20 -3.661 5.684 -0.484 1.00 0.00 C ATOM 359 C GLY A 20 -4.785 6.255 -1.326 1.00 0.00 C ATOM 360 O GLY A 20 -5.227 7.381 -1.100 1.00 0.00 O ATOM 0 H GLY A 20 -2.026 4.799 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.901 4.656 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.584 6.249 0.445 1.00 0.00 H new ATOM 364 N GLU A 21 -5.247 5.477 -2.300 1.00 0.00 N ATOM 365 CA GLU A 21 -6.324 5.915 -3.179 1.00 0.00 C ATOM 366 C GLU A 21 -7.615 5.159 -2.876 1.00 0.00 C ATOM 367 O GLU A 21 -8.349 4.770 -3.785 1.00 0.00 O ATOM 368 CB GLU A 21 -5.932 5.708 -4.644 1.00 0.00 C ATOM 369 CG GLU A 21 -5.613 4.264 -4.991 1.00 0.00 C ATOM 370 CD GLU A 21 -6.834 3.490 -5.449 1.00 0.00 C ATOM 371 OE1 GLU A 21 -7.310 3.743 -6.575 1.00 0.00 O ATOM 372 OE2 GLU A 21 -7.314 2.631 -4.680 1.00 0.00 O ATOM 0 H GLU A 21 -4.893 4.542 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.494 6.977 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.745 6.055 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.064 6.327 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.858 4.241 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.181 3.772 -4.120 1.00 0.00 H new ATOM 437 N ALA A 27 -11.647 -0.448 -10.265 1.00 0.00 N ATOM 438 CA ALA A 27 -10.668 -0.711 -11.312 1.00 0.00 C ATOM 439 C ALA A 27 -9.831 -1.943 -10.984 1.00 0.00 C ATOM 440 O ALA A 27 -9.164 -2.503 -11.855 1.00 0.00 O ATOM 441 CB ALA A 27 -9.771 0.501 -11.512 1.00 0.00 C ATOM 0 HA ALA A 27 -11.207 -0.907 -12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.045 0.290 -12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.378 1.359 -11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.247 0.723 -10.583 1.00 0.00 H new ATOM 447 N LEU A 28 -9.869 -2.359 -9.723 1.00 0.00 N ATOM 448 CA LEU A 28 -9.113 -3.525 -9.279 1.00 0.00 C ATOM 449 C LEU A 28 -10.008 -4.758 -9.204 1.00 0.00 C ATOM 450 O LEU A 28 -9.524 -5.890 -9.206 1.00 0.00 O ATOM 451 CB LEU A 28 -8.479 -3.257 -7.913 1.00 0.00 C ATOM 452 CG LEU A 28 -7.616 -1.999 -7.809 1.00 0.00 C ATOM 453 CD1 LEU A 28 -7.425 -1.601 -6.354 1.00 0.00 C ATOM 454 CD2 LEU A 28 -6.270 -2.218 -8.485 1.00 0.00 C ATOM 0 H LEU A 28 -10.415 -1.906 -8.990 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.325 -3.715 -10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.276 -3.189 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.866 -4.117 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.130 -1.186 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.808 -0.704 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.396 -1.402 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.933 -2.412 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.669 -1.312 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.750 -3.045 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.426 -2.454 -9.538 1.00 0.00 H new ATOM 466 N ALA A 29 -11.315 -4.531 -9.138 1.00 0.00 N ATOM 467 CA ALA A 29 -12.278 -5.623 -9.067 1.00 0.00 C ATOM 468 C ALA A 29 -12.022 -6.653 -10.162 1.00 0.00 C ATOM 469 O ALA A 29 -11.808 -7.836 -9.897 1.00 0.00 O ATOM 470 CB ALA A 29 -13.697 -5.083 -9.168 1.00 0.00 C ATOM 0 H ALA A 29 -11.732 -3.600 -9.132 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.158 -6.119 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.406 -5.909 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.882 -4.391 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.821 -4.561 -10.117 1.00 0.00 H new ATOM 476 N PRO A 30 -12.046 -6.196 -11.422 1.00 0.00 N ATOM 477 CA PRO A 30 -11.818 -7.062 -12.583 1.00 0.00 C ATOM 478 C PRO A 30 -10.372 -7.537 -12.678 1.00 0.00 C ATOM 479 O PRO A 30 -10.091 -8.598 -13.234 1.00 0.00 O ATOM 480 CB PRO A 30 -12.165 -6.161 -13.771 1.00 0.00 C ATOM 481 CG PRO A 30 -11.941 -4.775 -13.273 1.00 0.00 C ATOM 482 CD PRO A 30 -12.295 -4.798 -11.812 1.00 0.00 C ATOM 0 HA PRO A 30 -12.413 -7.974 -12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.533 -6.380 -14.632 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.197 -6.305 -14.089 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.905 -4.471 -13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.562 -4.061 -13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.679 -4.105 -11.238 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.334 -4.514 -11.646 1.00 0.00 H new ATOM 490 N LYS A 31 -9.457 -6.744 -12.131 1.00 0.00 N ATOM 491 CA LYS A 31 -8.039 -7.083 -12.151 1.00 0.00 C ATOM 492 C LYS A 31 -7.759 -8.303 -11.280 1.00 0.00 C ATOM 493 O LYS A 31 -6.967 -9.171 -11.648 1.00 0.00 O ATOM 494 CB LYS A 31 -7.203 -5.895 -11.670 1.00 0.00 C ATOM 495 CG LYS A 31 -7.185 -4.729 -12.642 1.00 0.00 C ATOM 496 CD LYS A 31 -6.415 -3.546 -12.081 1.00 0.00 C ATOM 497 CE LYS A 31 -4.935 -3.632 -12.422 1.00 0.00 C ATOM 498 NZ LYS A 31 -4.688 -3.418 -13.875 1.00 0.00 N ATOM 0 H LYS A 31 -9.672 -5.861 -11.668 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.762 -7.321 -13.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.593 -5.552 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.180 -6.228 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.733 -5.045 -13.582 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.208 -4.425 -12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.828 -2.619 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.539 -3.510 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.386 -2.887 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.551 -4.609 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.699 -3.131 -14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.872 -4.301 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.320 -2.672 -14.228 1.00 0.00 H new ATOM 512 N ILE A 32 -8.414 -8.363 -10.125 1.00 0.00 N ATOM 513 CA ILE A 32 -8.236 -9.478 -9.204 1.00 0.00 C ATOM 514 C ILE A 32 -9.255 -10.580 -9.472 1.00 0.00 C ATOM 515 O ILE A 32 -9.178 -11.664 -8.895 1.00 0.00 O ATOM 516 CB ILE A 32 -8.363 -9.022 -7.738 1.00 0.00 C ATOM 517 CG1 ILE A 32 -7.493 -7.789 -7.487 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.973 -10.152 -6.797 1.00 0.00 C ATOM 519 CD1 ILE A 32 -7.749 -7.130 -6.150 1.00 0.00 C ATOM 0 H ILE A 32 -9.072 -7.653 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.231 -9.867 -9.369 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.402 -8.755 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.443 -8.077 -7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.669 -7.063 -8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.068 -9.815 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.630 -11.006 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.941 -10.446 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.097 -6.263 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.790 -6.811 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.545 -7.841 -5.349 1.00 0.00 H new ATOM 531 N GLY A 33 -10.209 -10.295 -10.353 1.00 0.00 N ATOM 532 CA GLY A 33 -11.229 -11.273 -10.684 1.00 0.00 C ATOM 533 C GLY A 33 -10.661 -12.669 -10.853 1.00 0.00 C ATOM 534 O GLY A 33 -11.026 -13.601 -10.137 1.00 0.00 O ATOM 0 H GLY A 33 -10.294 -9.405 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.985 -11.284 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.730 -10.974 -11.605 1.00 0.00 H new ATOM 538 N PRO A 34 -9.747 -12.827 -11.821 1.00 0.00 N ATOM 539 CA PRO A 34 -9.110 -14.116 -12.106 1.00 0.00 C ATOM 540 C PRO A 34 -8.154 -14.546 -10.998 1.00 0.00 C ATOM 541 O PRO A 34 -7.981 -15.739 -10.743 1.00 0.00 O ATOM 542 CB PRO A 34 -8.341 -13.853 -13.403 1.00 0.00 C ATOM 543 CG PRO A 34 -8.083 -12.386 -13.400 1.00 0.00 C ATOM 544 CD PRO A 34 -9.265 -11.759 -12.713 1.00 0.00 C ATOM 0 HA PRO A 34 -9.839 -14.923 -12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.410 -14.419 -13.433 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.923 -14.151 -14.275 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.157 -12.154 -12.874 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.976 -12.007 -14.416 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.979 -10.868 -12.155 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.031 -11.456 -13.427 1.00 0.00 H new ATOM 552 N LEU A 35 -7.536 -13.570 -10.343 1.00 0.00 N ATOM 553 CA LEU A 35 -6.598 -13.848 -9.262 1.00 0.00 C ATOM 554 C LEU A 35 -7.267 -14.654 -8.154 1.00 0.00 C ATOM 555 O LEU A 35 -6.832 -15.756 -7.824 1.00 0.00 O ATOM 556 CB LEU A 35 -6.042 -12.541 -8.693 1.00 0.00 C ATOM 557 CG LEU A 35 -4.785 -11.995 -9.371 1.00 0.00 C ATOM 558 CD1 LEU A 35 -5.070 -11.648 -10.824 1.00 0.00 C ATOM 559 CD2 LEU A 35 -4.262 -10.778 -8.622 1.00 0.00 C ATOM 0 H LEU A 35 -7.668 -12.578 -10.542 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.777 -14.438 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.822 -11.782 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.824 -12.692 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.017 -12.768 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.164 -11.261 -11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.397 -12.542 -11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.853 -10.892 -10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.367 -10.402 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.026 -10.000 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.018 -11.059 -7.597 1.00 0.00 H new ATOM 571 N GLY A 36 -8.332 -14.097 -7.584 1.00 0.00 N ATOM 572 CA GLY A 36 -9.046 -14.778 -6.520 1.00 0.00 C ATOM 573 C GLY A 36 -9.281 -13.888 -5.316 1.00 0.00 C ATOM 574 O GLY A 36 -10.406 -13.773 -4.829 1.00 0.00 O ATOM 0 H GLY A 36 -8.713 -13.186 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.005 -15.132 -6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.481 -15.658 -6.213 1.00 0.00 H new ATOM 578 N LEU A 37 -8.216 -13.258 -4.832 1.00 0.00 N ATOM 579 CA LEU A 37 -8.311 -12.374 -3.675 1.00 0.00 C ATOM 580 C LEU A 37 -9.371 -11.300 -3.896 1.00 0.00 C ATOM 581 O LEU A 37 -9.946 -11.194 -4.979 1.00 0.00 O ATOM 582 CB LEU A 37 -6.957 -11.720 -3.396 1.00 0.00 C ATOM 583 CG LEU A 37 -6.002 -12.510 -2.500 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.420 -13.695 -3.255 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.891 -11.609 -1.980 1.00 0.00 C ATOM 0 H LEU A 37 -7.277 -13.343 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.602 -12.974 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.461 -11.537 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.134 -10.747 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.564 -12.889 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.743 -14.245 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.227 -14.353 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.872 -13.337 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.221 -12.188 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.331 -11.200 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.325 -10.793 -1.402 1.00 0.00 H new ATOM 597 N SER A 38 -9.624 -10.503 -2.862 1.00 0.00 N ATOM 598 CA SER A 38 -10.616 -9.437 -2.943 1.00 0.00 C ATOM 599 C SER A 38 -9.941 -8.076 -3.081 1.00 0.00 C ATOM 600 O SER A 38 -8.896 -7.809 -2.487 1.00 0.00 O ATOM 601 CB SER A 38 -11.512 -9.452 -1.703 1.00 0.00 C ATOM 602 OG SER A 38 -10.788 -9.067 -0.546 1.00 0.00 O ATOM 0 H SER A 38 -9.156 -10.576 -1.959 1.00 0.00 H new ATOM 0 HA SER A 38 -11.229 -9.610 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.354 -8.776 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.926 -10.450 -1.561 1.00 0.00 H new ATOM 0 HG SER A 38 -11.148 -9.535 0.236 1.00 0.00 H new ATOM 608 N PRO A 39 -10.552 -7.193 -3.885 1.00 0.00 N ATOM 609 CA PRO A 39 -10.029 -5.844 -4.121 1.00 0.00 C ATOM 610 C PRO A 39 -10.147 -4.953 -2.889 1.00 0.00 C ATOM 611 O PRO A 39 -9.350 -4.035 -2.695 1.00 0.00 O ATOM 612 CB PRO A 39 -10.913 -5.314 -5.252 1.00 0.00 C ATOM 613 CG PRO A 39 -12.185 -6.080 -5.130 1.00 0.00 C ATOM 614 CD PRO A 39 -11.800 -7.443 -4.625 1.00 0.00 C ATOM 0 HA PRO A 39 -8.966 -5.855 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.085 -4.242 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.448 -5.472 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.872 -5.588 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.693 -6.149 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.571 -7.865 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.648 -8.147 -5.444 1.00 0.00 H new ATOM 622 N LYS A 40 -11.147 -5.229 -2.059 1.00 0.00 N ATOM 623 CA LYS A 40 -11.370 -4.454 -0.844 1.00 0.00 C ATOM 624 C LYS A 40 -10.269 -4.718 0.179 1.00 0.00 C ATOM 625 O LYS A 40 -9.643 -3.787 0.687 1.00 0.00 O ATOM 626 CB LYS A 40 -12.734 -4.795 -0.240 1.00 0.00 C ATOM 627 CG LYS A 40 -13.226 -3.769 0.767 1.00 0.00 C ATOM 628 CD LYS A 40 -14.247 -4.369 1.720 1.00 0.00 C ATOM 629 CE LYS A 40 -14.773 -3.331 2.698 1.00 0.00 C ATOM 630 NZ LYS A 40 -15.654 -2.334 2.029 1.00 0.00 N ATOM 0 H LYS A 40 -11.817 -5.984 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.351 -3.397 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.466 -4.884 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.674 -5.769 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.381 -3.381 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.671 -2.925 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.077 -4.787 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.792 -5.192 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.327 -3.829 3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.934 -2.817 3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.099 -1.727 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.087 -1.748 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.392 -2.830 1.489 1.00 0.00 H new ATOM 644 N LYS A 41 -10.037 -5.992 0.477 1.00 0.00 N ATOM 645 CA LYS A 41 -9.010 -6.379 1.437 1.00 0.00 C ATOM 646 C LYS A 41 -7.646 -5.836 1.023 1.00 0.00 C ATOM 647 O LYS A 41 -6.920 -5.268 1.839 1.00 0.00 O ATOM 648 CB LYS A 41 -8.948 -7.903 1.561 1.00 0.00 C ATOM 649 CG LYS A 41 -8.292 -8.382 2.845 1.00 0.00 C ATOM 650 CD LYS A 41 -8.826 -9.739 3.271 1.00 0.00 C ATOM 651 CE LYS A 41 -8.176 -10.866 2.483 1.00 0.00 C ATOM 652 NZ LYS A 41 -6.780 -11.123 2.932 1.00 0.00 N ATOM 0 H LYS A 41 -10.547 -6.775 0.067 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.273 -5.952 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.960 -8.305 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.399 -8.307 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.213 -8.443 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.468 -7.655 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.643 -9.885 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.906 -9.768 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.767 -11.775 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.176 -10.615 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.442 -12.017 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.166 -10.345 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.755 -11.187 3.970 1.00 0.00 H new ATOM 666 N VAL A 42 -7.305 -6.013 -0.249 1.00 0.00 N ATOM 667 CA VAL A 42 -6.029 -5.538 -0.772 1.00 0.00 C ATOM 668 C VAL A 42 -5.988 -4.015 -0.820 1.00 0.00 C ATOM 669 O VAL A 42 -4.995 -3.398 -0.436 1.00 0.00 O ATOM 670 CB VAL A 42 -5.758 -6.093 -2.183 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.444 -5.554 -2.726 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.753 -7.614 -2.164 1.00 0.00 C ATOM 0 H VAL A 42 -7.894 -6.482 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.255 -5.898 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.559 -5.763 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.270 -5.957 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.490 -4.466 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.628 -5.852 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.560 -7.990 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.973 -7.967 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.722 -7.977 -1.821 1.00 0.00 H new ATOM 682 N GLY A 43 -7.074 -3.413 -1.295 1.00 0.00 N ATOM 683 CA GLY A 43 -7.142 -1.967 -1.385 1.00 0.00 C ATOM 684 C GLY A 43 -7.001 -1.295 -0.034 1.00 0.00 C ATOM 685 O GLY A 43 -6.260 -0.322 0.109 1.00 0.00 O ATOM 0 H GLY A 43 -7.908 -3.902 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.355 -1.610 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.093 -1.678 -1.834 1.00 0.00 H new ATOM 689 N ASP A 44 -7.715 -1.812 0.960 1.00 0.00 N ATOM 690 CA ASP A 44 -7.667 -1.255 2.307 1.00 0.00 C ATOM 691 C ASP A 44 -6.260 -1.358 2.888 1.00 0.00 C ATOM 692 O ASP A 44 -5.760 -0.416 3.502 1.00 0.00 O ATOM 693 CB ASP A 44 -8.662 -1.978 3.216 1.00 0.00 C ATOM 694 CG ASP A 44 -8.705 -1.387 4.612 1.00 0.00 C ATOM 695 OD1 ASP A 44 -8.737 -0.145 4.729 1.00 0.00 O ATOM 696 OD2 ASP A 44 -8.705 -2.168 5.587 1.00 0.00 O ATOM 0 H ASP A 44 -8.334 -2.616 0.858 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.940 -0.201 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.657 -1.929 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.393 -3.032 3.279 1.00 0.00 H new ATOM 701 N ASP A 45 -5.627 -2.510 2.690 1.00 0.00 N ATOM 702 CA ASP A 45 -4.277 -2.736 3.194 1.00 0.00 C ATOM 703 C ASP A 45 -3.315 -1.678 2.664 1.00 0.00 C ATOM 704 O ASP A 45 -2.491 -1.146 3.409 1.00 0.00 O ATOM 705 CB ASP A 45 -3.790 -4.131 2.798 1.00 0.00 C ATOM 706 CG ASP A 45 -4.150 -5.184 3.828 1.00 0.00 C ATOM 707 OD1 ASP A 45 -5.349 -5.313 4.150 1.00 0.00 O ATOM 708 OD2 ASP A 45 -3.232 -5.878 4.313 1.00 0.00 O ATOM 0 H ASP A 45 -6.027 -3.301 2.185 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.304 -2.664 4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.224 -4.405 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.708 -4.111 2.666 1.00 0.00 H new ATOM 713 N ILE A 46 -3.423 -1.380 1.374 1.00 0.00 N ATOM 714 CA ILE A 46 -2.562 -0.386 0.745 1.00 0.00 C ATOM 715 C ILE A 46 -2.756 0.988 1.378 1.00 0.00 C ATOM 716 O ILE A 46 -1.788 1.696 1.657 1.00 0.00 O ATOM 717 CB ILE A 46 -2.831 -0.284 -0.768 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.610 -1.641 -1.439 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.937 0.775 -1.394 1.00 0.00 C ATOM 720 CD1 ILE A 46 -3.281 -1.763 -2.790 1.00 0.00 C ATOM 0 H ILE A 46 -4.098 -1.813 0.744 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.534 -0.714 0.901 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.870 0.010 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.540 -1.809 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.985 -2.427 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.139 0.835 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.139 1.741 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.892 0.508 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.082 -2.750 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.356 -1.627 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.888 -1.000 -3.462 1.00 0.00 H new ATOM 732 N ALA A 47 -4.012 1.358 1.604 1.00 0.00 N ATOM 733 CA ALA A 47 -4.333 2.645 2.208 1.00 0.00 C ATOM 734 C ALA A 47 -3.631 2.811 3.552 1.00 0.00 C ATOM 735 O ALA A 47 -3.073 3.869 3.846 1.00 0.00 O ATOM 736 CB ALA A 47 -5.838 2.789 2.376 1.00 0.00 C ATOM 0 H ALA A 47 -4.824 0.784 1.378 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.976 3.430 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.063 3.755 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.321 2.724 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.210 1.992 3.019 1.00 0.00 H new ATOM 742 N LYS A 48 -3.662 1.760 4.365 1.00 0.00 N ATOM 743 CA LYS A 48 -3.029 1.789 5.678 1.00 0.00 C ATOM 744 C LYS A 48 -1.510 1.831 5.548 1.00 0.00 C ATOM 745 O LYS A 48 -0.840 2.603 6.233 1.00 0.00 O ATOM 746 CB LYS A 48 -3.448 0.565 6.496 1.00 0.00 C ATOM 747 CG LYS A 48 -2.743 0.460 7.837 1.00 0.00 C ATOM 748 CD LYS A 48 -3.469 1.250 8.912 1.00 0.00 C ATOM 749 CE LYS A 48 -4.686 0.498 9.431 1.00 0.00 C ATOM 750 NZ LYS A 48 -4.300 -0.652 10.295 1.00 0.00 N ATOM 0 H LYS A 48 -4.119 0.877 4.137 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.357 2.692 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.525 0.601 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.245 -0.336 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.679 -0.587 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.721 0.828 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.787 1.455 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.780 2.214 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.321 1.180 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.277 0.137 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.138 -1.002 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.910 -1.414 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.583 -0.344 10.982 1.00 0.00 H new ATOM 764 N ALA A 49 -0.973 0.996 4.664 1.00 0.00 N ATOM 765 CA ALA A 49 0.467 0.940 4.442 1.00 0.00 C ATOM 766 C ALA A 49 0.996 2.278 3.935 1.00 0.00 C ATOM 767 O ALA A 49 2.115 2.678 4.259 1.00 0.00 O ATOM 768 CB ALA A 49 0.807 -0.171 3.461 1.00 0.00 C ATOM 0 H ALA A 49 -1.514 0.349 4.090 1.00 0.00 H new ATOM 0 HA ALA A 49 0.949 0.726 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.885 -0.201 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.472 -1.127 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.308 0.018 2.511 1.00 0.00 H new ATOM 774 N THR A 50 0.186 2.965 3.136 1.00 0.00 N ATOM 775 CA THR A 50 0.573 4.256 2.583 1.00 0.00 C ATOM 776 C THR A 50 -0.222 5.389 3.221 1.00 0.00 C ATOM 777 O THR A 50 -0.331 6.478 2.659 1.00 0.00 O ATOM 778 CB THR A 50 0.368 4.297 1.056 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.024 4.174 0.745 1.00 0.00 O ATOM 780 CG2 THR A 50 1.146 3.181 0.376 1.00 0.00 C ATOM 0 H THR A 50 -0.743 2.648 2.857 1.00 0.00 H new ATOM 0 HA THR A 50 1.632 4.390 2.805 1.00 0.00 H new ATOM 0 HB THR A 50 0.738 5.253 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.340 3.284 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.986 3.230 -0.701 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.209 3.295 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.802 2.217 0.750 1.00 0.00 H new ATOM 788 N GLY A 51 -0.777 5.126 4.400 1.00 0.00 N ATOM 789 CA GLY A 51 -1.555 6.134 5.096 1.00 0.00 C ATOM 790 C GLY A 51 -0.687 7.211 5.715 1.00 0.00 C ATOM 791 O GLY A 51 -1.091 8.371 5.800 1.00 0.00 O ATOM 0 H GLY A 51 -0.702 4.232 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.256 6.593 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.148 5.656 5.876 1.00 0.00 H new ATOM 795 N ASP A 52 0.508 6.828 6.150 1.00 0.00 N ATOM 796 CA ASP A 52 1.436 7.770 6.765 1.00 0.00 C ATOM 797 C ASP A 52 1.932 8.790 5.745 1.00 0.00 C ATOM 798 O ASP A 52 2.267 9.921 6.096 1.00 0.00 O ATOM 799 CB ASP A 52 2.623 7.024 7.377 1.00 0.00 C ATOM 800 CG ASP A 52 2.190 5.854 8.239 1.00 0.00 C ATOM 801 OD1 ASP A 52 1.759 4.827 7.673 1.00 0.00 O ATOM 802 OD2 ASP A 52 2.282 5.966 9.479 1.00 0.00 O ATOM 0 H ASP A 52 0.857 5.872 6.088 1.00 0.00 H new ATOM 0 HA ASP A 52 0.905 8.302 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.272 6.663 6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.212 7.716 7.979 1.00 0.00 H new ATOM 807 N TRP A 53 1.976 8.382 4.482 1.00 0.00 N ATOM 808 CA TRP A 53 2.432 9.260 3.410 1.00 0.00 C ATOM 809 C TRP A 53 1.431 9.281 2.261 1.00 0.00 C ATOM 810 O TRP A 53 1.809 9.177 1.093 1.00 0.00 O ATOM 811 CB TRP A 53 3.803 8.809 2.902 1.00 0.00 C ATOM 812 CG TRP A 53 3.891 7.332 2.663 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.499 6.659 1.541 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.402 6.346 3.567 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.735 5.314 1.693 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.290 5.096 2.927 1.00 0.00 C ATOM 817 CE3 TRP A 53 4.945 6.398 4.853 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.700 3.912 3.532 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.351 5.221 5.452 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.228 3.992 4.792 1.00 0.00 C ATOM 0 H TRP A 53 1.702 7.449 4.175 1.00 0.00 H new ATOM 0 HA TRP A 53 2.516 10.270 3.812 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.030 9.334 1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.564 9.099 3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.067 7.117 0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.530 4.594 1.000 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.046 7.341 5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.605 2.963 3.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.771 5.249 6.447 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.556 3.090 5.287 1.00 0.00 H new ATOM 831 N LYS A 54 0.153 9.415 2.597 1.00 0.00 N ATOM 832 CA LYS A 54 -0.903 9.452 1.592 1.00 0.00 C ATOM 833 C LYS A 54 -0.909 10.788 0.857 1.00 0.00 C ATOM 834 O LYS A 54 -0.863 11.849 1.477 1.00 0.00 O ATOM 835 CB LYS A 54 -2.266 9.211 2.247 1.00 0.00 C ATOM 836 CG LYS A 54 -2.785 10.407 3.027 1.00 0.00 C ATOM 837 CD LYS A 54 -3.612 11.330 2.148 1.00 0.00 C ATOM 838 CE LYS A 54 -3.670 12.739 2.718 1.00 0.00 C ATOM 839 NZ LYS A 54 -4.474 12.798 3.970 1.00 0.00 N ATOM 0 H LYS A 54 -0.177 9.500 3.558 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.709 8.661 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.990 8.949 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.191 8.355 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.391 10.061 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.945 10.960 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.184 11.359 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.623 10.933 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.658 13.091 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.101 13.413 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.489 13.775 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.446 12.486 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.049 12.175 4.685 1.00 0.00 H new ATOM 853 N GLY A 55 -0.968 10.728 -0.470 1.00 0.00 N ATOM 854 CA GLY A 55 -0.980 11.940 -1.268 1.00 0.00 C ATOM 855 C GLY A 55 0.336 12.179 -1.980 1.00 0.00 C ATOM 856 O GLY A 55 0.382 12.867 -3.001 1.00 0.00 O ATOM 0 H GLY A 55 -1.008 9.861 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.782 11.879 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.202 12.792 -0.625 1.00 0.00 H new ATOM 860 N LEU A 56 1.410 11.610 -1.443 1.00 0.00 N ATOM 861 CA LEU A 56 2.734 11.766 -2.033 1.00 0.00 C ATOM 862 C LEU A 56 2.998 10.681 -3.073 1.00 0.00 C ATOM 863 O LEU A 56 2.447 9.583 -2.992 1.00 0.00 O ATOM 864 CB LEU A 56 3.808 11.717 -0.945 1.00 0.00 C ATOM 865 CG LEU A 56 3.618 12.677 0.230 1.00 0.00 C ATOM 866 CD1 LEU A 56 4.275 12.122 1.484 1.00 0.00 C ATOM 867 CD2 LEU A 56 4.180 14.050 -0.107 1.00 0.00 C ATOM 0 H LEU A 56 1.389 11.036 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 56 2.772 12.736 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.854 10.701 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.773 11.925 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 56 2.550 12.781 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.130 12.819 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.825 11.162 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.342 11.987 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.036 14.720 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.245 13.964 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.663 14.451 -0.979 1.00 0.00 H new ATOM 879 N ARG A 57 3.844 10.996 -4.048 1.00 0.00 N ATOM 880 CA ARG A 57 4.182 10.048 -5.103 1.00 0.00 C ATOM 881 C ARG A 57 5.258 9.073 -4.634 1.00 0.00 C ATOM 882 O ARG A 57 6.366 9.480 -4.281 1.00 0.00 O ATOM 883 CB ARG A 57 4.660 10.791 -6.351 1.00 0.00 C ATOM 884 CG ARG A 57 3.695 11.863 -6.830 1.00 0.00 C ATOM 885 CD ARG A 57 2.548 11.263 -7.629 1.00 0.00 C ATOM 886 NE ARG A 57 1.417 10.905 -6.778 1.00 0.00 N ATOM 887 CZ ARG A 57 0.498 11.774 -6.372 1.00 0.00 C ATOM 888 NH1 ARG A 57 0.577 13.046 -6.737 1.00 0.00 N ATOM 889 NH2 ARG A 57 -0.502 11.372 -5.598 1.00 0.00 N ATOM 0 H ARG A 57 4.308 11.901 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 57 3.284 9.480 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.626 11.251 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.817 10.071 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.298 12.406 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.229 12.587 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.221 11.976 -8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.899 10.377 -8.157 1.00 0.00 H new ATOM 0 HE ARG A 57 1.328 9.934 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.345 13.359 -7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.130 13.711 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.566 10.394 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.207 12.041 -5.287 1.00 0.00 H new ATOM 903 N ILE A 58 4.925 7.787 -4.633 1.00 0.00 N ATOM 904 CA ILE A 58 5.863 6.756 -4.208 1.00 0.00 C ATOM 905 C ILE A 58 5.649 5.463 -4.989 1.00 0.00 C ATOM 906 O ILE A 58 4.583 5.240 -5.563 1.00 0.00 O ATOM 907 CB ILE A 58 5.731 6.460 -2.703 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.257 6.323 -2.315 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.399 7.557 -1.887 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.723 4.915 -2.458 1.00 0.00 C ATOM 0 H ILE A 58 4.013 7.434 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 58 6.864 7.138 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 58 6.233 5.517 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.130 6.648 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.662 6.993 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.297 7.334 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.456 7.611 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.923 8.513 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.673 4.893 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.818 4.593 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.293 4.243 -1.816 1.00 0.00 H new ATOM 922 N THR A 59 6.671 4.613 -5.006 1.00 0.00 N ATOM 923 CA THR A 59 6.596 3.342 -5.716 1.00 0.00 C ATOM 924 C THR A 59 6.477 2.175 -4.742 1.00 0.00 C ATOM 925 O THR A 59 7.323 1.995 -3.866 1.00 0.00 O ATOM 926 CB THR A 59 7.830 3.125 -6.611 1.00 0.00 C ATOM 927 OG1 THR A 59 7.855 4.103 -7.656 1.00 0.00 O ATOM 928 CG2 THR A 59 7.821 1.729 -7.216 1.00 0.00 C ATOM 0 H THR A 59 7.560 4.782 -4.536 1.00 0.00 H new ATOM 0 HA THR A 59 5.705 3.382 -6.342 1.00 0.00 H new ATOM 0 HB THR A 59 8.722 3.230 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.644 3.959 -8.220 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.702 1.599 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.832 0.987 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.923 1.600 -7.820 1.00 0.00 H new ATOM 936 N VAL A 60 5.421 1.383 -4.901 1.00 0.00 N ATOM 937 CA VAL A 60 5.192 0.231 -4.037 1.00 0.00 C ATOM 938 C VAL A 60 5.393 -1.075 -4.798 1.00 0.00 C ATOM 939 O VAL A 60 5.176 -1.142 -6.008 1.00 0.00 O ATOM 940 CB VAL A 60 3.773 0.251 -3.439 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.542 -0.976 -2.570 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.549 1.528 -2.643 1.00 0.00 C ATOM 0 H VAL A 60 4.711 1.518 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 60 5.920 0.292 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 60 3.052 0.228 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.534 -0.944 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.658 -1.876 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.268 -0.988 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.541 1.526 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.276 1.584 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.669 2.391 -3.298 1.00 0.00 H new ATOM 952 N LYS A 61 5.808 -2.113 -4.080 1.00 0.00 N ATOM 953 CA LYS A 61 6.037 -3.420 -4.685 1.00 0.00 C ATOM 954 C LYS A 61 4.888 -4.373 -4.371 1.00 0.00 C ATOM 955 O LYS A 61 4.380 -4.401 -3.250 1.00 0.00 O ATOM 956 CB LYS A 61 7.357 -4.012 -4.185 1.00 0.00 C ATOM 957 CG LYS A 61 7.387 -4.252 -2.686 1.00 0.00 C ATOM 958 CD LYS A 61 8.271 -5.434 -2.327 1.00 0.00 C ATOM 959 CE LYS A 61 9.647 -5.314 -2.965 1.00 0.00 C ATOM 960 NZ LYS A 61 10.425 -4.180 -2.395 1.00 0.00 N ATOM 0 H LYS A 61 5.993 -2.075 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 61 6.092 -3.289 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.540 -4.955 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.172 -3.339 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.752 -3.358 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.374 -4.431 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.375 -5.496 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.796 -6.358 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.198 -6.243 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.538 -5.175 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.356 -4.132 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.912 -3.290 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.551 -4.325 -1.373 1.00 0.00 H new ATOM 974 N LEU A 62 4.485 -5.155 -5.368 1.00 0.00 N ATOM 975 CA LEU A 62 3.397 -6.111 -5.197 1.00 0.00 C ATOM 976 C LEU A 62 3.903 -7.543 -5.343 1.00 0.00 C ATOM 977 O LEU A 62 4.334 -7.955 -6.421 1.00 0.00 O ATOM 978 CB LEU A 62 2.291 -5.843 -6.219 1.00 0.00 C ATOM 979 CG LEU A 62 1.316 -4.717 -5.872 1.00 0.00 C ATOM 980 CD1 LEU A 62 0.545 -4.280 -7.108 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.360 -5.159 -4.774 1.00 0.00 C ATOM 0 H LEU A 62 4.895 -5.145 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 62 2.993 -5.988 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.757 -5.611 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.720 -6.761 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 62 1.889 -3.865 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.144 -3.478 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.243 -3.923 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.018 -5.126 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.326 -4.345 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.207 -6.026 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.928 -5.423 -3.882 1.00 0.00 H new ATOM 993 N THR A 63 3.847 -8.299 -4.251 1.00 0.00 N ATOM 994 CA THR A 63 4.298 -9.685 -4.257 1.00 0.00 C ATOM 995 C THR A 63 3.151 -10.638 -3.942 1.00 0.00 C ATOM 996 O THR A 63 2.447 -10.469 -2.947 1.00 0.00 O ATOM 997 CB THR A 63 5.433 -9.911 -3.240 1.00 0.00 C ATOM 998 OG1 THR A 63 6.424 -8.887 -3.376 1.00 0.00 O ATOM 999 CG2 THR A 63 6.075 -11.275 -3.439 1.00 0.00 C ATOM 0 H THR A 63 3.494 -7.974 -3.351 1.00 0.00 H new ATOM 0 HA THR A 63 4.672 -9.891 -5.260 1.00 0.00 H new ATOM 0 HB THR A 63 5.006 -9.871 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.141 -9.037 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.873 -11.411 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.324 -12.054 -3.305 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.488 -11.339 -4.446 1.00 0.00 H new ATOM 1007 N ILE A 64 2.969 -11.640 -4.796 1.00 0.00 N ATOM 1008 CA ILE A 64 1.908 -12.621 -4.606 1.00 0.00 C ATOM 1009 C ILE A 64 2.480 -14.027 -4.453 1.00 0.00 C ATOM 1010 O ILE A 64 3.175 -14.524 -5.339 1.00 0.00 O ATOM 1011 CB ILE A 64 0.914 -12.609 -5.782 1.00 0.00 C ATOM 1012 CG1 ILE A 64 0.182 -11.267 -5.846 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.079 -13.754 -5.649 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -0.719 -11.014 -4.657 1.00 0.00 C ATOM 0 H ILE A 64 3.542 -11.793 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 64 1.382 -12.344 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 64 1.471 -12.743 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.916 -10.464 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.414 -11.230 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.775 -13.732 -6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.458 -14.703 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.632 -13.649 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.206 -10.045 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.476 -11.796 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.125 -11.018 -3.743 1.00 0.00 H new ATOM 1026 N GLN A 65 2.181 -14.661 -3.324 1.00 0.00 N ATOM 1027 CA GLN A 65 2.664 -16.011 -3.056 1.00 0.00 C ATOM 1028 C GLN A 65 1.646 -16.802 -2.241 1.00 0.00 C ATOM 1029 O GLN A 65 1.099 -16.302 -1.259 1.00 0.00 O ATOM 1030 CB GLN A 65 4.000 -15.958 -2.312 1.00 0.00 C ATOM 1031 CG GLN A 65 3.923 -15.241 -0.974 1.00 0.00 C ATOM 1032 CD GLN A 65 5.279 -14.768 -0.487 1.00 0.00 C ATOM 1033 OE1 GLN A 65 5.498 -13.573 -0.288 1.00 0.00 O ATOM 1034 NE2 GLN A 65 6.198 -15.707 -0.291 1.00 0.00 N ATOM 0 H GLN A 65 1.607 -14.262 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 65 2.807 -16.515 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.357 -16.975 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.737 -15.458 -2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.254 -14.385 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.488 -15.910 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.973 -16.686 -0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.129 -15.449 0.037 1.00 0.00 H new ATOM 1043 N ASN A 66 1.396 -18.039 -2.656 1.00 0.00 N ATOM 1044 CA ASN A 66 0.443 -18.900 -1.965 1.00 0.00 C ATOM 1045 C ASN A 66 -0.845 -18.144 -1.654 1.00 0.00 C ATOM 1046 O ASN A 66 -1.290 -18.101 -0.507 1.00 0.00 O ATOM 1047 CB ASN A 66 1.056 -19.439 -0.671 1.00 0.00 C ATOM 1048 CG ASN A 66 0.301 -20.638 -0.130 1.00 0.00 C ATOM 1049 OD1 ASN A 66 -0.503 -21.250 -0.835 1.00 0.00 O ATOM 1050 ND2 ASN A 66 0.557 -20.980 1.127 1.00 0.00 N ATOM 0 H ASN A 66 1.840 -18.468 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 66 0.204 -19.737 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.094 -19.718 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.065 -18.649 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.080 -21.778 1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.231 -20.444 1.674 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.440 -17.549 -2.683 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.676 -16.794 -2.520 1.00 0.00 C ATOM 1059 C ARG A 67 -2.517 -15.714 -1.454 1.00 0.00 C ATOM 1060 O ARG A 67 -3.491 -15.300 -0.827 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.825 -17.732 -2.143 1.00 0.00 C ATOM 1062 CG ARG A 67 -4.317 -18.587 -3.299 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.554 -19.384 -2.915 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.213 -20.671 -2.317 1.00 0.00 N ATOM 1065 CZ ARG A 67 -4.634 -21.662 -2.986 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -4.333 -21.514 -4.268 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -4.354 -22.805 -2.371 1.00 0.00 N ATOM 0 H ARG A 67 -1.085 -17.576 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.906 -16.312 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.499 -18.384 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.656 -17.139 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.544 -17.950 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.526 -19.269 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.154 -18.806 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.169 -19.547 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.431 -20.818 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.546 -20.637 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.888 -22.277 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.583 -22.923 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.909 -23.565 -2.885 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.283 -15.262 -1.257 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.996 -14.231 -0.266 1.00 0.00 C ATOM 1083 C GLN A 68 -0.497 -12.956 -0.937 1.00 0.00 C ATOM 1084 O GLN A 68 0.203 -13.008 -1.948 1.00 0.00 O ATOM 1085 CB GLN A 68 0.042 -14.733 0.738 1.00 0.00 C ATOM 1086 CG GLN A 68 0.044 -13.962 2.048 1.00 0.00 C ATOM 1087 CD GLN A 68 1.392 -13.993 2.742 1.00 0.00 C ATOM 1088 OE1 GLN A 68 1.952 -12.950 3.081 1.00 0.00 O ATOM 1089 NE2 GLN A 68 1.920 -15.192 2.956 1.00 0.00 N ATOM 0 H GLN A 68 -0.466 -15.593 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.921 -14.003 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.146 -15.786 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.032 -14.669 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.238 -12.927 1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.712 -14.380 2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.420 -16.030 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.825 -15.275 3.418 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.863 -11.812 -0.368 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.451 -10.523 -0.911 1.00 0.00 C ATOM 1100 C ALA A 69 0.378 -9.741 0.103 1.00 0.00 C ATOM 1101 O ALA A 69 0.014 -9.647 1.274 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.669 -9.715 -1.335 1.00 0.00 C ATOM 0 H ALA A 69 -1.444 -11.751 0.468 1.00 0.00 H new ATOM 0 HA ALA A 69 0.172 -10.707 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.346 -8.755 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.221 -10.263 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.313 -9.548 -0.472 1.00 0.00 H new ATOM 1108 N GLN A 70 1.493 -9.183 -0.357 1.00 0.00 N ATOM 1109 CA GLN A 70 2.374 -8.410 0.511 1.00 0.00 C ATOM 1110 C GLN A 70 2.794 -7.107 -0.161 1.00 0.00 C ATOM 1111 O GLN A 70 3.383 -7.117 -1.243 1.00 0.00 O ATOM 1112 CB GLN A 70 3.611 -9.231 0.878 1.00 0.00 C ATOM 1113 CG GLN A 70 4.549 -8.520 1.841 1.00 0.00 C ATOM 1114 CD GLN A 70 5.413 -9.483 2.631 1.00 0.00 C ATOM 1115 OE1 GLN A 70 6.017 -10.397 2.070 1.00 0.00 O ATOM 1116 NE2 GLN A 70 5.477 -9.281 3.942 1.00 0.00 N ATOM 0 H GLN A 70 1.808 -9.251 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 70 1.825 -8.167 1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.292 -10.173 1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.157 -9.477 -0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.189 -7.838 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.963 -7.913 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.960 -8.511 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.044 -9.896 4.526 1.00 0.00 H new ATOM 1125 N ILE A 71 2.488 -5.988 0.486 1.00 0.00 N ATOM 1126 CA ILE A 71 2.835 -4.677 -0.050 1.00 0.00 C ATOM 1127 C ILE A 71 3.942 -4.024 0.770 1.00 0.00 C ATOM 1128 O ILE A 71 3.885 -4.000 1.999 1.00 0.00 O ATOM 1129 CB ILE A 71 1.613 -3.740 -0.080 1.00 0.00 C ATOM 1130 CG1 ILE A 71 0.752 -3.948 1.167 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.795 -3.977 -1.341 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.230 -2.825 1.418 1.00 0.00 C ATOM 0 H ILE A 71 2.001 -5.962 1.382 1.00 0.00 H new ATOM 0 HA ILE A 71 3.186 -4.835 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 71 1.965 -2.708 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.203 -4.884 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.403 -4.051 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.065 -3.308 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.413 -3.783 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.450 -5.011 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.806 -3.040 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.313 -1.889 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.906 -2.735 0.567 1.00 0.00 H new ATOM 1144 N GLU A 72 4.947 -3.493 0.081 1.00 0.00 N ATOM 1145 CA GLU A 72 6.067 -2.838 0.746 1.00 0.00 C ATOM 1146 C GLU A 72 6.563 -1.647 -0.068 1.00 0.00 C ATOM 1147 O GLU A 72 6.451 -1.629 -1.294 1.00 0.00 O ATOM 1148 CB GLU A 72 7.210 -3.831 0.965 1.00 0.00 C ATOM 1149 CG GLU A 72 8.365 -3.261 1.772 1.00 0.00 C ATOM 1150 CD GLU A 72 8.102 -3.286 3.265 1.00 0.00 C ATOM 1151 OE1 GLU A 72 7.560 -4.298 3.756 1.00 0.00 O ATOM 1152 OE2 GLU A 72 8.440 -2.292 3.942 1.00 0.00 O ATOM 0 H GLU A 72 5.008 -3.504 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 72 5.720 -2.475 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.822 -4.713 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.583 -4.162 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.269 -3.830 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.552 -2.234 1.457 1.00 0.00 H new ATOM 1159 N VAL A 73 7.110 -0.652 0.622 1.00 0.00 N ATOM 1160 CA VAL A 73 7.624 0.544 -0.036 1.00 0.00 C ATOM 1161 C VAL A 73 9.103 0.392 -0.374 1.00 0.00 C ATOM 1162 O VAL A 73 9.890 -0.095 0.438 1.00 0.00 O ATOM 1163 CB VAL A 73 7.435 1.794 0.845 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.992 3.026 0.148 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.966 1.984 1.191 1.00 0.00 C ATOM 0 H VAL A 73 7.209 -0.650 1.637 1.00 0.00 H new ATOM 0 HA VAL A 73 7.055 0.669 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 73 7.987 1.651 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.850 3.899 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.056 2.886 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.470 3.177 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.851 2.871 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.389 2.106 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.604 1.111 1.733 1.00 0.00 H new ATOM 1175 N VAL A 74 9.475 0.814 -1.578 1.00 0.00 N ATOM 1176 CA VAL A 74 10.860 0.727 -2.025 1.00 0.00 C ATOM 1177 C VAL A 74 11.705 1.840 -1.415 1.00 0.00 C ATOM 1178 O VAL A 74 11.245 2.966 -1.220 1.00 0.00 O ATOM 1179 CB VAL A 74 10.961 0.803 -3.560 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.101 -0.272 -4.205 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.560 2.185 -4.052 1.00 0.00 C ATOM 0 H VAL A 74 8.836 1.220 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 74 11.240 -0.239 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 74 11.997 0.627 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.185 -0.203 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.440 -1.255 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.061 -0.130 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.637 2.221 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.532 2.393 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 74 11.223 2.933 -3.616 1.00 0.00 H new ATOM 1191 N PRO A 75 12.970 1.522 -1.107 1.00 0.00 N ATOM 1192 CA PRO A 75 13.907 2.482 -0.515 1.00 0.00 C ATOM 1193 C PRO A 75 14.318 3.572 -1.499 1.00 0.00 C ATOM 1194 O PRO A 75 14.315 3.360 -2.712 1.00 0.00 O ATOM 1195 CB PRO A 75 15.113 1.616 -0.141 1.00 0.00 C ATOM 1196 CG PRO A 75 15.047 0.453 -1.070 1.00 0.00 C ATOM 1197 CD PRO A 75 13.585 0.199 -1.312 1.00 0.00 C ATOM 0 HA PRO A 75 13.468 3.013 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.047 2.165 -0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.062 1.295 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.565 0.670 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.528 -0.422 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.404 -0.177 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.186 -0.541 -0.619 1.00 0.00 H new