USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 834 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 Set 1.1: A 97 MET CE :methyl -169:sc= -0.889 (180deg=-1.19) USER MOD Set 1.2: A 105 THR OG1 : rot 15:sc= 0.683 USER MOD Set 2.1: A 21 HIS : no HE2:sc= 0.223 K(o=0.61,f=-3.8) USER MOD Set 2.2: A 30 GLN : amide:sc= 0.382 K(o=0.61,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0.178 (180deg=0.164) USER MOD Single : A 25 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.3!) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 32 SER OG : rot 78:sc= -0.89 USER MOD Single : A 36 MET CE :methyl 152:sc= -0.506 (180deg=-1.07) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.094) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.191 F(o=-1,f=-0.19) USER MOD Single : A 56 HIS : no HD1:sc= -0.575 K(o=-0.57,f=-1.5) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 72 THR OG1 : rot 122:sc= 0.892 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -89:sc= -1.02 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 87 CYS SG : rot -65:sc= -2.53! USER MOD Single : A 89 THR OG1 : rot -83:sc= 0.803 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 99 ASN : amide:sc= -3.8! X(o=-3.8!,f=-3.3) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc=-0.00487 F(o=-1.1,f=-0.0049) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 169:sc= 0 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 8.960 12.635 -2.576 1.00 0.00 N ATOM 229 CA ARG A 15 10.346 12.826 -2.176 1.00 0.00 C ATOM 230 C ARG A 15 10.497 12.701 -0.666 1.00 0.00 C ATOM 231 O ARG A 15 11.307 11.918 -0.181 1.00 0.00 O ATOM 232 CB ARG A 15 10.864 14.192 -2.635 1.00 0.00 C ATOM 233 CG ARG A 15 12.336 14.412 -2.318 1.00 0.00 C ATOM 234 CD ARG A 15 12.790 15.819 -2.674 1.00 0.00 C ATOM 235 NE ARG A 15 12.694 16.096 -4.105 1.00 0.00 N ATOM 236 CZ ARG A 15 13.138 17.215 -4.678 1.00 0.00 C ATOM 237 NH1 ARG A 15 13.740 18.150 -3.946 1.00 0.00 N ATOM 238 NH2 ARG A 15 13.002 17.393 -5.985 1.00 0.00 N ATOM 0 HA ARG A 15 10.938 12.046 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.712 14.289 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.275 14.976 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.509 14.232 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.937 13.687 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.184 16.541 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.821 15.957 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 15 12.261 15.391 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.863 18.012 -2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.078 19.005 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.557 16.673 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.342 18.250 -6.421 1.00 0.00 H new ATOM 252 N ALA A 16 9.709 13.476 0.073 1.00 0.00 N ATOM 253 CA ALA A 16 9.799 13.481 1.525 1.00 0.00 C ATOM 254 C ALA A 16 8.980 12.349 2.126 1.00 0.00 C ATOM 255 O ALA A 16 7.745 12.383 2.114 1.00 0.00 O ATOM 256 CB ALA A 16 9.348 14.823 2.082 1.00 0.00 C ATOM 0 H ALA A 16 9.004 14.106 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 16 10.842 13.325 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.422 14.809 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.984 15.614 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.314 15.009 1.791 1.00 0.00 H new ATOM 262 N ALA A 17 9.674 11.346 2.640 1.00 0.00 N ATOM 263 CA ALA A 17 9.032 10.194 3.242 1.00 0.00 C ATOM 264 C ALA A 17 9.413 10.070 4.710 1.00 0.00 C ATOM 265 O ALA A 17 10.553 9.737 5.047 1.00 0.00 O ATOM 266 CB ALA A 17 9.397 8.926 2.486 1.00 0.00 C ATOM 0 H ALA A 17 10.693 11.310 2.651 1.00 0.00 H new ATOM 0 HA ALA A 17 7.953 10.334 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.907 8.071 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.069 9.013 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.477 8.784 2.514 1.00 0.00 H new ATOM 272 N ASP A 18 8.462 10.358 5.578 1.00 0.00 N ATOM 273 CA ASP A 18 8.664 10.256 7.013 1.00 0.00 C ATOM 274 C ASP A 18 7.612 9.319 7.599 1.00 0.00 C ATOM 275 O ASP A 18 6.563 9.101 6.990 1.00 0.00 O ATOM 276 CB ASP A 18 8.572 11.652 7.651 1.00 0.00 C ATOM 277 CG ASP A 18 8.850 11.656 9.144 1.00 0.00 C ATOM 278 OD1 ASP A 18 7.911 11.437 9.929 1.00 0.00 O ATOM 279 OD2 ASP A 18 10.009 11.896 9.543 1.00 0.00 O ATOM 0 H ASP A 18 7.528 10.669 5.310 1.00 0.00 H new ATOM 0 HA ASP A 18 9.654 9.850 7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.280 12.316 7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.576 12.059 7.474 1.00 0.00 H new ATOM 284 N GLY A 19 7.888 8.753 8.762 1.00 0.00 N ATOM 285 CA GLY A 19 6.930 7.870 9.397 1.00 0.00 C ATOM 286 C GLY A 19 5.666 8.598 9.817 1.00 0.00 C ATOM 287 O GLY A 19 4.605 7.988 9.960 1.00 0.00 O ATOM 0 H GLY A 19 8.757 8.888 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.671 7.064 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.389 7.409 10.272 1.00 0.00 H new ATOM 291 N ARG A 20 5.783 9.907 9.997 1.00 0.00 N ATOM 292 CA ARG A 20 4.673 10.731 10.462 1.00 0.00 C ATOM 293 C ARG A 20 4.174 11.659 9.359 1.00 0.00 C ATOM 294 O ARG A 20 3.117 12.275 9.492 1.00 0.00 O ATOM 295 CB ARG A 20 5.124 11.575 11.652 1.00 0.00 C ATOM 296 CG ARG A 20 5.765 10.770 12.767 1.00 0.00 C ATOM 297 CD ARG A 20 6.821 11.589 13.484 1.00 0.00 C ATOM 298 NE ARG A 20 7.896 11.994 12.574 1.00 0.00 N ATOM 299 CZ ARG A 20 8.850 12.872 12.878 1.00 0.00 C ATOM 300 NH1 ARG A 20 8.850 13.478 14.059 1.00 0.00 N ATOM 301 NH2 ARG A 20 9.802 13.145 11.994 1.00 0.00 N ATOM 0 H ARG A 20 6.644 10.426 9.826 1.00 0.00 H new ATOM 0 HA ARG A 20 3.860 10.066 10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.834 12.326 11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.263 12.111 12.052 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.002 10.451 13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.216 9.866 12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.361 12.475 13.922 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.238 11.007 14.306 1.00 0.00 H new ATOM 0 HE ARG A 20 7.915 11.575 11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.117 13.272 14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.583 14.150 14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.801 12.683 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.534 13.817 12.224 1.00 0.00 H new ATOM 315 N HIS A 21 4.933 11.783 8.275 1.00 0.00 N ATOM 316 CA HIS A 21 4.568 12.711 7.205 1.00 0.00 C ATOM 317 C HIS A 21 4.842 12.104 5.836 1.00 0.00 C ATOM 318 O HIS A 21 5.911 11.546 5.601 1.00 0.00 O ATOM 319 CB HIS A 21 5.353 14.029 7.306 1.00 0.00 C ATOM 320 CG HIS A 21 5.449 14.621 8.682 1.00 0.00 C ATOM 321 ND1 HIS A 21 4.362 14.848 9.500 1.00 0.00 N ATOM 322 CD2 HIS A 21 6.530 15.036 9.380 1.00 0.00 C ATOM 323 CE1 HIS A 21 4.772 15.380 10.634 1.00 0.00 C ATOM 324 NE2 HIS A 21 6.085 15.502 10.589 1.00 0.00 N ATOM 0 H HIS A 21 5.794 11.261 8.113 1.00 0.00 H new ATOM 0 HA HIS A 21 3.503 12.910 7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.362 13.860 6.931 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.886 14.761 6.646 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.392 14.637 9.264 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.556 15.006 9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.140 15.668 11.461 1.00 0.00 H new ATOM 333 N ALA A 22 3.881 12.220 4.933 1.00 0.00 N ATOM 334 CA ALA A 22 4.093 11.842 3.543 1.00 0.00 C ATOM 335 C ALA A 22 3.775 13.025 2.638 1.00 0.00 C ATOM 336 O ALA A 22 2.632 13.472 2.570 1.00 0.00 O ATOM 337 CB ALA A 22 3.234 10.639 3.180 1.00 0.00 C ATOM 0 H ALA A 22 2.946 12.573 5.137 1.00 0.00 H new ATOM 0 HA ALA A 22 5.137 11.562 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.406 10.371 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.498 9.797 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.182 10.887 3.323 1.00 0.00 H new ATOM 343 N LYS A 23 4.783 13.530 1.941 1.00 0.00 N ATOM 344 CA LYS A 23 4.609 14.725 1.127 1.00 0.00 C ATOM 345 C LYS A 23 4.561 14.380 -0.355 1.00 0.00 C ATOM 346 O LYS A 23 5.580 14.032 -0.957 1.00 0.00 O ATOM 347 CB LYS A 23 5.737 15.727 1.390 1.00 0.00 C ATOM 348 CG LYS A 23 5.597 17.031 0.616 1.00 0.00 C ATOM 349 CD LYS A 23 6.817 17.919 0.791 1.00 0.00 C ATOM 350 CE LYS A 23 6.703 19.200 -0.023 1.00 0.00 C ATOM 351 NZ LYS A 23 5.659 20.116 0.509 1.00 0.00 N ATOM 0 H LYS A 23 5.723 13.135 1.922 1.00 0.00 H new ATOM 0 HA LYS A 23 3.658 15.178 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.770 15.951 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.689 15.263 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.454 16.813 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.708 17.562 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.938 18.168 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.711 17.373 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.665 19.712 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.471 18.950 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.664 21.002 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.726 19.664 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.856 20.323 1.509 1.00 0.00 H new ATOM 365 N VAL A 24 3.374 14.473 -0.932 1.00 0.00 N ATOM 366 CA VAL A 24 3.199 14.260 -2.356 1.00 0.00 C ATOM 367 C VAL A 24 3.152 15.607 -3.064 1.00 0.00 C ATOM 368 O VAL A 24 2.138 16.311 -3.003 1.00 0.00 O ATOM 369 CB VAL A 24 1.913 13.465 -2.669 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.816 13.162 -4.158 1.00 0.00 C ATOM 371 CG2 VAL A 24 1.865 12.178 -1.857 1.00 0.00 C ATOM 0 H VAL A 24 2.514 14.696 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 24 4.045 13.672 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 24 1.057 14.079 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.903 12.601 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.797 14.096 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.679 12.571 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.951 11.633 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.729 11.561 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.881 12.418 -0.794 1.00 0.00 H new ATOM 381 N ASN A 25 4.266 15.966 -3.703 1.00 0.00 N ATOM 382 CA ASN A 25 4.428 17.265 -4.367 1.00 0.00 C ATOM 383 C ASN A 25 4.430 18.397 -3.343 1.00 0.00 C ATOM 384 O ASN A 25 5.477 18.945 -3.007 1.00 0.00 O ATOM 385 CB ASN A 25 3.336 17.515 -5.421 1.00 0.00 C ATOM 386 CG ASN A 25 3.379 16.531 -6.575 1.00 0.00 C ATOM 387 OD1 ASN A 25 3.735 15.368 -6.407 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.024 16.995 -7.763 1.00 0.00 N ATOM 0 H ASN A 25 5.086 15.364 -3.776 1.00 0.00 H new ATOM 0 HA ASN A 25 5.389 17.243 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.359 17.460 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.443 18.527 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.041 16.380 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.734 17.967 -7.865 1.00 0.00 H new ATOM 395 N GLU A 26 3.252 18.725 -2.837 1.00 0.00 N ATOM 396 CA GLU A 26 3.102 19.794 -1.868 1.00 0.00 C ATOM 397 C GLU A 26 2.306 19.311 -0.662 1.00 0.00 C ATOM 398 O GLU A 26 2.675 19.576 0.484 1.00 0.00 O ATOM 399 CB GLU A 26 2.404 20.995 -2.511 1.00 0.00 C ATOM 400 CG GLU A 26 2.105 22.123 -1.538 1.00 0.00 C ATOM 401 CD GLU A 26 1.397 23.284 -2.199 1.00 0.00 C ATOM 402 OE1 GLU A 26 0.255 23.102 -2.661 1.00 0.00 O ATOM 403 OE2 GLU A 26 1.980 24.386 -2.257 1.00 0.00 O ATOM 0 H GLU A 26 2.379 18.260 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 26 4.093 20.099 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.030 21.379 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.470 20.661 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.489 21.742 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.037 22.474 -1.096 1.00 0.00 H new ATOM 410 N GLN A 27 1.233 18.578 -0.933 1.00 0.00 N ATOM 411 CA GLN A 27 0.316 18.136 0.108 1.00 0.00 C ATOM 412 C GLN A 27 0.964 17.080 0.999 1.00 0.00 C ATOM 413 O GLN A 27 1.487 16.076 0.514 1.00 0.00 O ATOM 414 CB GLN A 27 -0.958 17.570 -0.524 1.00 0.00 C ATOM 415 CG GLN A 27 -1.672 18.554 -1.441 1.00 0.00 C ATOM 416 CD GLN A 27 -2.873 17.945 -2.143 1.00 0.00 C ATOM 417 OE1 GLN A 27 -3.547 17.015 -1.483 1.00 0.00 O flip ATOM 418 NE2 GLN A 27 -3.199 18.318 -3.269 1.00 0.00 N flip ATOM 0 H GLN A 27 0.976 18.276 -1.873 1.00 0.00 H new ATOM 0 HA GLN A 27 0.064 18.998 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.705 16.675 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.641 17.263 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.997 19.416 -0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.969 18.922 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.655 19.037 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.014 17.908 -3.726 1.00 0.00 H new ATOM 427 N ILE A 28 0.935 17.323 2.302 1.00 0.00 N ATOM 428 CA ILE A 28 1.460 16.372 3.265 1.00 0.00 C ATOM 429 C ILE A 28 0.322 15.572 3.882 1.00 0.00 C ATOM 430 O ILE A 28 -0.442 16.082 4.702 1.00 0.00 O ATOM 431 CB ILE A 28 2.271 17.069 4.382 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.446 17.845 3.778 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.771 16.047 5.398 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.303 18.556 4.804 1.00 0.00 C ATOM 0 H ILE A 28 0.552 18.173 2.715 1.00 0.00 H new ATOM 0 HA ILE A 28 2.134 15.703 2.730 1.00 0.00 H new ATOM 0 HB ILE A 28 1.618 17.773 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.072 17.155 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.059 18.579 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.340 16.556 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.920 15.534 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.411 15.320 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.113 19.082 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.693 19.272 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.721 17.826 5.498 1.00 0.00 H new ATOM 446 N LEU A 29 0.205 14.324 3.468 1.00 0.00 N ATOM 447 CA LEU A 29 -0.842 13.453 3.960 1.00 0.00 C ATOM 448 C LEU A 29 -0.341 12.684 5.172 1.00 0.00 C ATOM 449 O LEU A 29 0.763 12.138 5.160 1.00 0.00 O ATOM 450 CB LEU A 29 -1.298 12.494 2.856 1.00 0.00 C ATOM 451 CG LEU A 29 -1.845 13.173 1.598 1.00 0.00 C ATOM 452 CD1 LEU A 29 -2.184 12.141 0.534 1.00 0.00 C ATOM 453 CD2 LEU A 29 -3.072 14.010 1.932 1.00 0.00 C ATOM 0 H LEU A 29 0.828 13.890 2.787 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.700 14.056 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.456 11.862 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.068 11.837 3.261 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.071 13.832 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.571 12.645 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.286 11.582 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.938 11.455 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.446 14.485 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.847 13.369 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.803 14.777 2.658 1.00 0.00 H new ATOM 465 N GLN A 30 -1.144 12.666 6.226 1.00 0.00 N ATOM 466 CA GLN A 30 -0.753 12.028 7.475 1.00 0.00 C ATOM 467 C GLN A 30 -1.802 11.010 7.909 1.00 0.00 C ATOM 468 O GLN A 30 -2.010 10.774 9.095 1.00 0.00 O ATOM 469 CB GLN A 30 -0.544 13.090 8.559 1.00 0.00 C ATOM 470 CG GLN A 30 0.516 14.117 8.193 1.00 0.00 C ATOM 471 CD GLN A 30 0.738 15.156 9.273 1.00 0.00 C ATOM 472 OE1 GLN A 30 1.578 14.984 10.154 1.00 0.00 O ATOM 473 NE2 GLN A 30 -0.004 16.248 9.206 1.00 0.00 N ATOM 0 H GLN A 30 -2.073 13.087 6.241 1.00 0.00 H new ATOM 0 HA GLN A 30 0.186 11.497 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.488 13.602 8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.259 12.599 9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.456 13.604 7.993 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.224 14.618 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.691 16.353 8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.110 16.986 9.901 1.00 0.00 H new ATOM 482 N GLN A 31 -2.450 10.405 6.923 1.00 0.00 N ATOM 483 CA GLN A 31 -3.450 9.372 7.169 1.00 0.00 C ATOM 484 C GLN A 31 -3.219 8.204 6.213 1.00 0.00 C ATOM 485 O GLN A 31 -2.129 8.066 5.659 1.00 0.00 O ATOM 486 CB GLN A 31 -4.866 9.942 7.007 1.00 0.00 C ATOM 487 CG GLN A 31 -5.212 10.999 8.045 1.00 0.00 C ATOM 488 CD GLN A 31 -6.632 11.512 7.918 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.535 10.794 7.490 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.844 12.762 8.302 1.00 0.00 N ATOM 0 H GLN A 31 -2.300 10.614 5.936 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.353 9.014 8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.964 10.375 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.588 9.128 7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.070 10.581 9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.520 11.835 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.070 13.326 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.782 13.160 8.248 1.00 0.00 H new ATOM 499 N SER A 32 -4.226 7.367 6.024 1.00 0.00 N ATOM 500 CA SER A 32 -4.091 6.212 5.151 1.00 0.00 C ATOM 501 C SER A 32 -4.618 6.529 3.750 1.00 0.00 C ATOM 502 O SER A 32 -5.781 6.893 3.586 1.00 0.00 O ATOM 503 CB SER A 32 -4.847 5.027 5.751 1.00 0.00 C ATOM 504 OG SER A 32 -4.502 4.846 7.117 1.00 0.00 O ATOM 0 H SER A 32 -5.142 7.465 6.461 1.00 0.00 H new ATOM 0 HA SER A 32 -3.035 5.956 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.921 5.192 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.616 4.121 5.190 1.00 0.00 H new ATOM 0 HG SER A 32 -4.974 5.508 7.664 1.00 0.00 H new ATOM 510 N PHE A 33 -3.754 6.403 2.748 1.00 0.00 N ATOM 511 CA PHE A 33 -4.140 6.658 1.362 1.00 0.00 C ATOM 512 C PHE A 33 -3.440 5.675 0.429 1.00 0.00 C ATOM 513 O PHE A 33 -2.541 4.946 0.851 1.00 0.00 O ATOM 514 CB PHE A 33 -3.808 8.104 0.962 1.00 0.00 C ATOM 515 CG PHE A 33 -2.339 8.436 0.990 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.711 8.775 2.179 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.590 8.419 -0.176 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.366 9.088 2.204 1.00 0.00 C ATOM 519 CE2 PHE A 33 -0.244 8.731 -0.157 1.00 0.00 C ATOM 520 CZ PHE A 33 0.368 9.066 1.034 1.00 0.00 C ATOM 0 H PHE A 33 -2.780 6.125 2.869 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.217 6.518 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.190 8.287 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.334 8.783 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.280 8.795 3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.064 8.159 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.111 9.350 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.328 8.713 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.420 9.311 1.051 1.00 0.00 H new ATOM 530 N ILE A 34 -3.842 5.654 -0.838 1.00 0.00 N ATOM 531 CA ILE A 34 -3.247 4.727 -1.798 1.00 0.00 C ATOM 532 C ILE A 34 -2.631 5.489 -2.963 1.00 0.00 C ATOM 533 O ILE A 34 -3.313 6.256 -3.644 1.00 0.00 O ATOM 534 CB ILE A 34 -4.280 3.722 -2.352 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.150 3.160 -1.225 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.572 2.590 -3.086 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.325 2.347 -1.717 1.00 0.00 C ATOM 0 H ILE A 34 -4.568 6.259 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.477 4.172 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.927 4.248 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.533 2.537 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.519 3.985 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.311 1.888 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.993 2.999 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.904 2.072 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.897 1.981 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.964 2.972 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.963 1.501 -2.301 1.00 0.00 H new ATOM 549 N LEU A 35 -1.348 5.277 -3.192 1.00 0.00 N ATOM 550 CA LEU A 35 -0.648 5.956 -4.271 1.00 0.00 C ATOM 551 C LEU A 35 -0.269 4.973 -5.372 1.00 0.00 C ATOM 552 O LEU A 35 0.277 3.900 -5.105 1.00 0.00 O ATOM 553 CB LEU A 35 0.606 6.660 -3.738 1.00 0.00 C ATOM 554 CG LEU A 35 1.437 7.404 -4.790 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.623 8.518 -5.435 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.704 7.965 -4.163 1.00 0.00 C ATOM 0 H LEU A 35 -0.768 4.640 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.319 6.705 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.304 7.370 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.242 5.918 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 35 1.718 6.695 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.234 9.031 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.256 8.093 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.308 9.228 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.284 8.490 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.439 8.658 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.299 7.149 -3.752 1.00 0.00 H new ATOM 568 N MET A 36 -0.594 5.332 -6.603 1.00 0.00 N ATOM 569 CA MET A 36 -0.194 4.553 -7.762 1.00 0.00 C ATOM 570 C MET A 36 0.337 5.488 -8.840 1.00 0.00 C ATOM 571 O MET A 36 -0.007 6.669 -8.860 1.00 0.00 O ATOM 572 CB MET A 36 -1.369 3.736 -8.316 1.00 0.00 C ATOM 573 CG MET A 36 -1.844 2.624 -7.394 1.00 0.00 C ATOM 574 SD MET A 36 -3.094 1.577 -8.165 1.00 0.00 S ATOM 575 CE MET A 36 -3.452 0.441 -6.828 1.00 0.00 C ATOM 0 H MET A 36 -1.138 6.165 -6.826 1.00 0.00 H new ATOM 0 HA MET A 36 0.587 3.856 -7.456 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.203 4.409 -8.515 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.076 3.300 -9.271 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.992 2.011 -7.100 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.252 3.061 -6.483 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.476 0.080 -6.922 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.764 -0.403 -6.874 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.334 0.954 -5.873 1.00 0.00 H new ATOM 585 N PRO A 37 1.179 4.978 -9.752 1.00 0.00 N ATOM 586 CA PRO A 37 1.699 5.768 -10.878 1.00 0.00 C ATOM 587 C PRO A 37 0.621 6.080 -11.917 1.00 0.00 C ATOM 588 O PRO A 37 0.894 6.701 -12.945 1.00 0.00 O ATOM 589 CB PRO A 37 2.776 4.864 -11.482 1.00 0.00 C ATOM 590 CG PRO A 37 2.380 3.482 -11.092 1.00 0.00 C ATOM 591 CD PRO A 37 1.719 3.604 -9.747 1.00 0.00 C ATOM 0 HA PRO A 37 2.072 6.740 -10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.820 4.971 -12.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.764 5.115 -11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.698 3.050 -11.824 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.249 2.827 -11.041 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.930 2.863 -9.619 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.431 3.455 -8.935 1.00 0.00 H new ATOM 599 N ASP A 38 -0.600 5.640 -11.642 1.00 0.00 N ATOM 600 CA ASP A 38 -1.725 5.870 -12.538 1.00 0.00 C ATOM 601 C ASP A 38 -2.641 6.948 -11.967 1.00 0.00 C ATOM 602 O ASP A 38 -2.964 7.926 -12.642 1.00 0.00 O ATOM 603 CB ASP A 38 -2.505 4.568 -12.748 1.00 0.00 C ATOM 604 CG ASP A 38 -3.655 4.724 -13.723 1.00 0.00 C ATOM 605 OD1 ASP A 38 -3.434 4.572 -14.944 1.00 0.00 O ATOM 606 OD2 ASP A 38 -4.788 4.980 -13.276 1.00 0.00 O ATOM 0 H ASP A 38 -0.837 5.118 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.344 6.210 -13.501 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.826 3.798 -13.114 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.892 4.223 -11.789 1.00 0.00 H new ATOM 611 N GLU A 39 -3.042 6.769 -10.713 1.00 0.00 N ATOM 612 CA GLU A 39 -3.892 7.735 -10.032 1.00 0.00 C ATOM 613 C GLU A 39 -3.585 7.747 -8.539 1.00 0.00 C ATOM 614 O GLU A 39 -2.884 6.867 -8.032 1.00 0.00 O ATOM 615 CB GLU A 39 -5.373 7.407 -10.250 1.00 0.00 C ATOM 616 CG GLU A 39 -5.816 6.110 -9.589 1.00 0.00 C ATOM 617 CD GLU A 39 -7.296 5.844 -9.763 1.00 0.00 C ATOM 618 OE1 GLU A 39 -8.106 6.395 -8.985 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.659 5.085 -10.686 1.00 0.00 O ATOM 0 H GLU A 39 -2.790 5.959 -10.146 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.687 8.720 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.978 8.227 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.568 7.344 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.249 5.280 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.580 6.149 -8.526 1.00 0.00 H new ATOM 626 N LEU A 40 -4.109 8.743 -7.844 1.00 0.00 N ATOM 627 CA LEU A 40 -3.961 8.827 -6.400 1.00 0.00 C ATOM 628 C LEU A 40 -5.305 8.605 -5.728 1.00 0.00 C ATOM 629 O LEU A 40 -6.278 9.301 -6.025 1.00 0.00 O ATOM 630 CB LEU A 40 -3.394 10.193 -5.993 1.00 0.00 C ATOM 631 CG LEU A 40 -3.363 10.472 -4.484 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.464 9.478 -3.763 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.902 11.897 -4.215 1.00 0.00 C ATOM 0 H LEU A 40 -4.643 9.507 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.265 8.052 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.379 10.276 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.985 10.971 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.376 10.354 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.460 9.699 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.838 8.467 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.449 9.556 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.886 12.077 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.901 12.038 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.589 12.597 -4.690 1.00 0.00 H new ATOM 645 N VAL A 41 -5.366 7.629 -4.837 1.00 0.00 N ATOM 646 CA VAL A 41 -6.574 7.385 -4.073 1.00 0.00 C ATOM 647 C VAL A 41 -6.583 8.284 -2.849 1.00 0.00 C ATOM 648 O VAL A 41 -5.985 7.964 -1.814 1.00 0.00 O ATOM 649 CB VAL A 41 -6.712 5.914 -3.637 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.050 5.680 -2.947 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.552 4.984 -4.829 1.00 0.00 C ATOM 0 H VAL A 41 -4.595 6.996 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.422 7.609 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.918 5.694 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.127 4.635 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.121 6.317 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.861 5.921 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.653 3.950 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.321 5.206 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.567 5.129 -5.274 1.00 0.00 H new ATOM 661 N GLU A 42 -7.230 9.428 -3.010 1.00 0.00 N ATOM 662 CA GLU A 42 -7.336 10.431 -1.968 1.00 0.00 C ATOM 663 C GLU A 42 -8.498 10.094 -1.044 1.00 0.00 C ATOM 664 O GLU A 42 -8.486 10.412 0.143 1.00 0.00 O ATOM 665 CB GLU A 42 -7.545 11.804 -2.616 1.00 0.00 C ATOM 666 CG GLU A 42 -7.707 12.952 -1.635 1.00 0.00 C ATOM 667 CD GLU A 42 -8.032 14.259 -2.331 1.00 0.00 C ATOM 668 OE1 GLU A 42 -9.193 14.436 -2.761 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.130 15.113 -2.461 1.00 0.00 O ATOM 0 H GLU A 42 -7.700 9.686 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.421 10.450 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.696 12.017 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.430 11.760 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.500 12.713 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.789 13.068 -1.059 1.00 0.00 H new ATOM 676 N HIS A 43 -9.503 9.440 -1.605 1.00 0.00 N ATOM 677 CA HIS A 43 -10.676 9.060 -0.839 1.00 0.00 C ATOM 678 C HIS A 43 -10.615 7.591 -0.460 1.00 0.00 C ATOM 679 O HIS A 43 -11.067 6.724 -1.208 1.00 0.00 O ATOM 680 CB HIS A 43 -11.959 9.341 -1.623 1.00 0.00 C ATOM 681 CG HIS A 43 -12.162 10.787 -1.944 1.00 0.00 C ATOM 682 ND1 HIS A 43 -12.350 11.253 -3.227 1.00 0.00 N ATOM 683 CD2 HIS A 43 -12.214 11.873 -1.139 1.00 0.00 C ATOM 684 CE1 HIS A 43 -12.505 12.564 -3.196 1.00 0.00 C ATOM 685 NE2 HIS A 43 -12.426 12.966 -1.941 1.00 0.00 N ATOM 0 H HIS A 43 -9.529 9.162 -2.586 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.687 9.661 0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.939 8.771 -2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.812 8.982 -1.047 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.108 11.879 -0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.669 13.200 -4.053 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.509 13.931 -1.620 1.00 0.00 H new ATOM 694 N TRP A 44 -10.018 7.316 0.687 1.00 0.00 N ATOM 695 CA TRP A 44 -9.987 5.969 1.224 1.00 0.00 C ATOM 696 C TRP A 44 -10.628 5.978 2.609 1.00 0.00 C ATOM 697 O TRP A 44 -10.222 6.748 3.479 1.00 0.00 O ATOM 698 CB TRP A 44 -8.544 5.443 1.281 1.00 0.00 C ATOM 699 CG TRP A 44 -8.448 3.949 1.439 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.326 3.016 0.962 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.405 3.216 2.095 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.908 1.755 1.303 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.727 1.848 1.993 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.233 3.579 2.763 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.921 0.850 2.535 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.433 2.587 3.298 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.778 1.235 3.179 1.00 0.00 C ATOM 0 H TRP A 44 -9.547 8.012 1.265 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.550 5.299 0.574 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.024 5.737 0.369 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.025 5.921 2.112 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.220 3.240 0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.397 0.888 1.079 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.956 4.618 2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.190 -0.193 2.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.526 2.859 3.817 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.130 0.483 3.604 1.00 0.00 H new ATOM 718 N PRO A 45 -11.668 5.154 2.813 1.00 0.00 N ATOM 719 CA PRO A 45 -12.437 5.101 4.070 1.00 0.00 C ATOM 720 C PRO A 45 -11.667 4.489 5.244 1.00 0.00 C ATOM 721 O PRO A 45 -12.256 3.823 6.099 1.00 0.00 O ATOM 722 CB PRO A 45 -13.642 4.213 3.717 1.00 0.00 C ATOM 723 CG PRO A 45 -13.644 4.110 2.231 1.00 0.00 C ATOM 724 CD PRO A 45 -12.212 4.222 1.817 1.00 0.00 C ATOM 0 HA PRO A 45 -12.694 6.105 4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.552 3.229 4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.571 4.651 4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.073 3.163 1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.244 4.903 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.705 3.258 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.111 4.607 0.802 1.00 0.00 H new ATOM 732 N VAL A 46 -10.367 4.733 5.300 1.00 0.00 N ATOM 733 CA VAL A 46 -9.533 4.214 6.373 1.00 0.00 C ATOM 734 C VAL A 46 -8.718 5.341 7.000 1.00 0.00 C ATOM 735 O VAL A 46 -7.743 5.808 6.417 1.00 0.00 O ATOM 736 CB VAL A 46 -8.576 3.108 5.870 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.717 2.571 7.004 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.355 1.981 5.213 1.00 0.00 C ATOM 0 H VAL A 46 -9.864 5.291 4.610 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.197 3.778 7.120 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.915 3.551 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.054 1.795 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.122 3.382 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.358 2.151 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.663 1.214 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.046 1.547 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.916 2.373 4.365 1.00 0.00 H new ATOM 748 N PRO A 47 -9.132 5.820 8.182 1.00 0.00 N ATOM 749 CA PRO A 47 -8.389 6.845 8.917 1.00 0.00 C ATOM 750 C PRO A 47 -7.056 6.306 9.431 1.00 0.00 C ATOM 751 O PRO A 47 -6.010 6.939 9.276 1.00 0.00 O ATOM 752 CB PRO A 47 -9.312 7.203 10.093 1.00 0.00 C ATOM 753 CG PRO A 47 -10.641 6.616 9.752 1.00 0.00 C ATOM 754 CD PRO A 47 -10.358 5.423 8.886 1.00 0.00 C ATOM 0 HA PRO A 47 -8.143 7.702 8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.931 6.794 11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.382 8.283 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.181 6.325 10.653 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.264 7.340 9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.211 4.519 9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.176 5.222 8.194 1.00 0.00 H new ATOM 762 N SER A 48 -7.101 5.124 10.028 1.00 0.00 N ATOM 763 CA SER A 48 -5.913 4.495 10.571 1.00 0.00 C ATOM 764 C SER A 48 -5.983 2.981 10.390 1.00 0.00 C ATOM 765 O SER A 48 -7.053 2.430 10.116 1.00 0.00 O ATOM 766 CB SER A 48 -5.758 4.852 12.052 1.00 0.00 C ATOM 767 OG SER A 48 -6.909 4.475 12.793 1.00 0.00 O ATOM 0 H SER A 48 -7.956 4.580 10.148 1.00 0.00 H new ATOM 0 HA SER A 48 -5.042 4.865 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.880 4.352 12.460 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.591 5.924 12.155 1.00 0.00 H new ATOM 0 HG SER A 48 -6.784 4.712 13.735 1.00 0.00 H new ATOM 773 N LEU A 49 -4.843 2.320 10.561 1.00 0.00 N ATOM 774 CA LEU A 49 -4.738 0.871 10.397 1.00 0.00 C ATOM 775 C LEU A 49 -5.583 0.125 11.435 1.00 0.00 C ATOM 776 O LEU A 49 -5.839 -1.071 11.297 1.00 0.00 O ATOM 777 CB LEU A 49 -3.266 0.455 10.519 1.00 0.00 C ATOM 778 CG LEU A 49 -2.974 -1.038 10.346 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.315 -1.495 8.940 1.00 0.00 C ATOM 780 CD2 LEU A 49 -1.518 -1.331 10.663 1.00 0.00 C ATOM 0 H LEU A 49 -3.965 2.772 10.817 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.119 0.606 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.690 1.006 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.901 0.765 11.498 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.601 -1.593 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.099 -2.559 8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.373 -1.320 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.718 -0.935 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.325 -2.396 10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.877 -0.763 9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.305 -1.044 11.693 1.00 0.00 H new ATOM 792 N GLY A 50 -6.037 0.849 12.453 1.00 0.00 N ATOM 793 CA GLY A 50 -6.767 0.238 13.550 1.00 0.00 C ATOM 794 C GLY A 50 -8.085 -0.392 13.133 1.00 0.00 C ATOM 795 O GLY A 50 -8.595 -1.274 13.820 1.00 0.00 O ATOM 0 H GLY A 50 -5.911 1.858 12.538 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.140 -0.525 14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.961 0.994 14.311 1.00 0.00 H new ATOM 799 N GLN A 51 -8.644 0.049 12.012 1.00 0.00 N ATOM 800 CA GLN A 51 -9.926 -0.479 11.559 1.00 0.00 C ATOM 801 C GLN A 51 -9.835 -1.026 10.134 1.00 0.00 C ATOM 802 O GLN A 51 -10.816 -1.000 9.384 1.00 0.00 O ATOM 803 CB GLN A 51 -11.017 0.598 11.645 1.00 0.00 C ATOM 804 CG GLN A 51 -10.759 1.821 10.778 1.00 0.00 C ATOM 805 CD GLN A 51 -11.938 2.777 10.767 1.00 0.00 C ATOM 806 OE1 GLN A 51 -12.835 2.664 9.931 1.00 0.00 O ATOM 807 NE2 GLN A 51 -11.946 3.723 11.692 1.00 0.00 N ATOM 0 H GLN A 51 -8.236 0.762 11.407 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.192 -1.304 12.220 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.971 0.156 11.355 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.115 0.917 12.683 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.874 2.343 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.543 1.502 9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.184 3.783 12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.715 4.392 11.730 1.00 0.00 H new ATOM 816 N LEU A 52 -8.670 -1.544 9.762 1.00 0.00 N ATOM 817 CA LEU A 52 -8.500 -2.107 8.429 1.00 0.00 C ATOM 818 C LEU A 52 -9.198 -3.461 8.327 1.00 0.00 C ATOM 819 O LEU A 52 -8.822 -4.430 8.990 1.00 0.00 O ATOM 820 CB LEU A 52 -7.020 -2.247 8.060 1.00 0.00 C ATOM 821 CG LEU A 52 -6.765 -2.706 6.618 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.366 -1.721 5.627 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.276 -2.875 6.360 1.00 0.00 C ATOM 0 H LEU A 52 -7.841 -1.586 10.355 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.958 -1.417 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.527 -1.287 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.554 -2.958 8.742 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.249 -3.673 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.174 -2.065 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.442 -1.652 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.914 -0.740 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.120 -3.201 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.769 -1.924 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.871 -3.622 7.043 1.00 0.00 H new ATOM 835 N GLN A 53 -10.223 -3.509 7.492 1.00 0.00 N ATOM 836 CA GLN A 53 -11.012 -4.714 7.292 1.00 0.00 C ATOM 837 C GLN A 53 -11.357 -4.860 5.812 1.00 0.00 C ATOM 838 O GLN A 53 -11.240 -3.891 5.058 1.00 0.00 O ATOM 839 CB GLN A 53 -12.284 -4.655 8.147 1.00 0.00 C ATOM 840 CG GLN A 53 -13.103 -3.391 7.939 1.00 0.00 C ATOM 841 CD GLN A 53 -14.343 -3.338 8.811 1.00 0.00 C ATOM 842 OE1 GLN A 53 -14.283 -3.961 9.979 1.00 0.00 O flip ATOM 843 NE2 GLN A 53 -15.347 -2.735 8.438 1.00 0.00 N flip ATOM 0 H GLN A 53 -10.532 -2.713 6.933 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.434 -5.584 7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.905 -5.521 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.008 -4.729 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.480 -2.522 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.399 -3.324 6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.354 -2.268 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.173 -2.702 9.035 1.00 0.00 H new ATOM 852 N PRO A 54 -11.772 -6.065 5.372 1.00 0.00 N ATOM 853 CA PRO A 54 -12.112 -6.333 3.964 1.00 0.00 C ATOM 854 C PRO A 54 -13.054 -5.292 3.362 1.00 0.00 C ATOM 855 O PRO A 54 -12.913 -4.926 2.197 1.00 0.00 O ATOM 856 CB PRO A 54 -12.792 -7.700 4.022 1.00 0.00 C ATOM 857 CG PRO A 54 -12.186 -8.367 5.203 1.00 0.00 C ATOM 858 CD PRO A 54 -11.924 -7.277 6.207 1.00 0.00 C ATOM 0 HA PRO A 54 -11.229 -6.300 3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.872 -7.602 4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.615 -8.270 3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.858 -9.121 5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.262 -8.877 4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.748 -7.176 6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.026 -7.477 6.791 1.00 0.00 H new ATOM 866 N ALA A 55 -13.995 -4.801 4.166 1.00 0.00 N ATOM 867 CA ALA A 55 -14.955 -3.791 3.719 1.00 0.00 C ATOM 868 C ALA A 55 -14.268 -2.502 3.265 1.00 0.00 C ATOM 869 O ALA A 55 -14.878 -1.665 2.605 1.00 0.00 O ATOM 870 CB ALA A 55 -15.950 -3.486 4.830 1.00 0.00 C ATOM 0 H ALA A 55 -14.114 -5.088 5.137 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.482 -4.203 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.660 -2.733 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.487 -4.396 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.417 -3.110 5.703 1.00 0.00 H new ATOM 876 N HIS A 56 -13.002 -2.335 3.630 1.00 0.00 N ATOM 877 CA HIS A 56 -12.254 -1.144 3.246 1.00 0.00 C ATOM 878 C HIS A 56 -11.053 -1.501 2.371 1.00 0.00 C ATOM 879 O HIS A 56 -10.508 -0.646 1.675 1.00 0.00 O ATOM 880 CB HIS A 56 -11.782 -0.372 4.482 1.00 0.00 C ATOM 881 CG HIS A 56 -12.893 0.193 5.315 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.969 0.867 4.781 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.089 0.180 6.655 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.776 1.246 5.754 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.265 0.841 6.899 1.00 0.00 N ATOM 0 H HIS A 56 -12.474 -3.006 4.189 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.928 -0.510 2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.179 -1.035 5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.133 0.443 4.162 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.440 -0.267 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.698 1.795 5.632 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -14.678 0.995 7.819 1.00 0.00 H new ATOM 894 N MET A 57 -10.646 -2.763 2.405 1.00 0.00 N ATOM 895 CA MET A 57 -9.472 -3.206 1.657 1.00 0.00 C ATOM 896 C MET A 57 -9.869 -3.731 0.280 1.00 0.00 C ATOM 897 O MET A 57 -9.030 -3.866 -0.614 1.00 0.00 O ATOM 898 CB MET A 57 -8.729 -4.295 2.436 1.00 0.00 C ATOM 899 CG MET A 57 -7.374 -4.656 1.844 1.00 0.00 C ATOM 900 SD MET A 57 -6.190 -3.302 1.953 1.00 0.00 S ATOM 901 CE MET A 57 -4.740 -4.065 1.232 1.00 0.00 C ATOM 0 H MET A 57 -11.108 -3.498 2.940 1.00 0.00 H new ATOM 0 HA MET A 57 -8.812 -2.349 1.522 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.589 -3.962 3.464 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.350 -5.190 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.974 -5.527 2.364 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.502 -4.940 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.917 -3.350 1.228 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.459 -4.939 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.960 -4.371 0.209 1.00 0.00 H new ATOM 911 N ASP A 58 -11.157 -4.012 0.114 1.00 0.00 N ATOM 912 CA ASP A 58 -11.675 -4.583 -1.128 1.00 0.00 C ATOM 913 C ASP A 58 -11.303 -3.727 -2.334 1.00 0.00 C ATOM 914 O ASP A 58 -10.881 -4.249 -3.363 1.00 0.00 O ATOM 915 CB ASP A 58 -13.194 -4.740 -1.050 1.00 0.00 C ATOM 916 CG ASP A 58 -13.778 -5.369 -2.300 1.00 0.00 C ATOM 917 OD1 ASP A 58 -13.526 -6.565 -2.541 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.503 -4.671 -3.044 1.00 0.00 O ATOM 0 H ASP A 58 -11.867 -3.853 0.828 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.218 -5.565 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.449 -5.353 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.649 -3.762 -0.892 1.00 0.00 H new ATOM 923 N ALA A 59 -11.440 -2.412 -2.189 1.00 0.00 N ATOM 924 CA ALA A 59 -11.115 -1.482 -3.267 1.00 0.00 C ATOM 925 C ALA A 59 -9.658 -1.618 -3.701 1.00 0.00 C ATOM 926 O ALA A 59 -9.353 -1.587 -4.893 1.00 0.00 O ATOM 927 CB ALA A 59 -11.403 -0.052 -2.836 1.00 0.00 C ATOM 0 H ALA A 59 -11.774 -1.966 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.744 -1.730 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.156 0.630 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.460 0.047 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.800 0.193 -1.962 1.00 0.00 H new ATOM 933 N VAL A 60 -8.770 -1.804 -2.730 1.00 0.00 N ATOM 934 CA VAL A 60 -7.341 -1.901 -3.001 1.00 0.00 C ATOM 935 C VAL A 60 -7.050 -3.129 -3.856 1.00 0.00 C ATOM 936 O VAL A 60 -6.246 -3.083 -4.787 1.00 0.00 O ATOM 937 CB VAL A 60 -6.526 -2.001 -1.695 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.038 -1.840 -1.971 1.00 0.00 C ATOM 939 CG2 VAL A 60 -7.005 -0.975 -0.679 1.00 0.00 C ATOM 0 H VAL A 60 -9.017 -1.891 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.047 -0.996 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.684 -2.993 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.484 -1.914 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.707 -2.625 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.855 -0.866 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.416 -1.064 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.887 0.027 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.056 -1.152 -0.451 1.00 0.00 H new ATOM 949 N LEU A 61 -7.730 -4.217 -3.536 1.00 0.00 N ATOM 950 CA LEU A 61 -7.544 -5.475 -4.239 1.00 0.00 C ATOM 951 C LEU A 61 -8.261 -5.451 -5.586 1.00 0.00 C ATOM 952 O LEU A 61 -7.793 -6.039 -6.561 1.00 0.00 O ATOM 953 CB LEU A 61 -8.064 -6.625 -3.376 1.00 0.00 C ATOM 954 CG LEU A 61 -7.437 -6.719 -1.983 1.00 0.00 C ATOM 955 CD1 LEU A 61 -8.138 -7.778 -1.155 1.00 0.00 C ATOM 956 CD2 LEU A 61 -5.949 -7.021 -2.085 1.00 0.00 C ATOM 0 H LEU A 61 -8.422 -4.254 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.480 -5.622 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.143 -6.519 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.888 -7.563 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.559 -5.756 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.679 -7.831 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.192 -7.520 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.048 -8.745 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.521 -7.084 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.805 -7.970 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.454 -6.226 -2.642 1.00 0.00 H new ATOM 968 N ALA A 62 -9.388 -4.749 -5.633 1.00 0.00 N ATOM 969 CA ALA A 62 -10.181 -4.634 -6.853 1.00 0.00 C ATOM 970 C ALA A 62 -9.433 -3.854 -7.931 1.00 0.00 C ATOM 971 O ALA A 62 -9.689 -4.026 -9.123 1.00 0.00 O ATOM 972 CB ALA A 62 -11.517 -3.972 -6.554 1.00 0.00 C ATOM 0 H ALA A 62 -9.776 -4.247 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.361 -5.640 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.098 -3.893 -7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.066 -4.572 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.346 -2.976 -6.146 1.00 0.00 H new ATOM 978 N LEU A 63 -8.509 -2.995 -7.506 1.00 0.00 N ATOM 979 CA LEU A 63 -7.696 -2.211 -8.437 1.00 0.00 C ATOM 980 C LEU A 63 -6.697 -3.096 -9.190 1.00 0.00 C ATOM 981 O LEU A 63 -6.029 -2.635 -10.117 1.00 0.00 O ATOM 982 CB LEU A 63 -6.954 -1.098 -7.690 1.00 0.00 C ATOM 983 CG LEU A 63 -7.852 -0.020 -7.077 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.025 0.977 -6.283 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.646 0.693 -8.163 1.00 0.00 C ATOM 0 H LEU A 63 -8.303 -2.823 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.368 -1.763 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.359 -1.548 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.257 -0.621 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.553 -0.504 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.681 1.735 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.500 0.458 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.300 1.455 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.279 1.456 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.959 1.163 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.269 -0.029 -8.691 1.00 0.00 H new ATOM 997 N ASN A 64 -6.612 -4.360 -8.778 1.00 0.00 N ATOM 998 CA ASN A 64 -5.769 -5.367 -9.433 1.00 0.00 C ATOM 999 C ASN A 64 -4.285 -4.996 -9.388 1.00 0.00 C ATOM 1000 O ASN A 64 -3.720 -4.481 -10.358 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.223 -5.605 -10.883 1.00 0.00 C ATOM 1002 CG ASN A 64 -5.504 -6.772 -11.544 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -4.461 -6.603 -12.175 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.064 -7.966 -11.411 1.00 0.00 N ATOM 0 H ASN A 64 -7.128 -4.720 -7.975 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.889 -6.295 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.297 -5.792 -10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.049 -4.700 -11.466 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.630 -8.784 -11.839 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.929 -8.067 -10.880 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.644 -5.204 -8.230 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.210 -5.060 -8.074 1.00 0.00 C ATOM 1013 C PRO A 65 -1.483 -6.407 -8.125 1.00 0.00 C ATOM 1014 O PRO A 65 -2.095 -7.463 -7.968 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.106 -4.448 -6.677 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.323 -4.928 -5.933 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.268 -5.539 -6.946 1.00 0.00 C ATOM 0 HA PRO A 65 -1.752 -4.467 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.191 -4.765 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.081 -3.359 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.045 -5.663 -5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.804 -4.101 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.360 -6.617 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.271 -5.121 -6.864 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.178 -6.367 -8.351 1.00 0.00 N ATOM 1026 CA ALA A 66 0.635 -7.575 -8.319 1.00 0.00 C ATOM 1027 C ALA A 66 1.384 -7.652 -6.997 1.00 0.00 C ATOM 1028 O ALA A 66 1.556 -8.727 -6.416 1.00 0.00 O ATOM 1029 CB ALA A 66 1.607 -7.599 -9.490 1.00 0.00 C ATOM 0 H ALA A 66 0.340 -5.513 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.017 -8.444 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.205 -8.509 -9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.049 -7.574 -10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.264 -6.731 -9.436 1.00 0.00 H new ATOM 1035 N VAL A 67 1.815 -6.492 -6.526 1.00 0.00 N ATOM 1036 CA VAL A 67 2.496 -6.377 -5.251 1.00 0.00 C ATOM 1037 C VAL A 67 2.015 -5.124 -4.521 1.00 0.00 C ATOM 1038 O VAL A 67 1.880 -4.055 -5.123 1.00 0.00 O ATOM 1039 CB VAL A 67 4.036 -6.346 -5.432 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.462 -5.230 -6.378 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.740 -6.205 -4.089 1.00 0.00 C ATOM 0 H VAL A 67 1.701 -5.606 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 67 2.255 -7.256 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 67 4.332 -7.296 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.547 -5.236 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.002 -5.385 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.142 -4.269 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.819 -6.186 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.426 -5.278 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.480 -7.050 -3.451 1.00 0.00 H new ATOM 1051 N ILE A 68 1.724 -5.265 -3.239 1.00 0.00 N ATOM 1052 CA ILE A 68 1.237 -4.152 -2.443 1.00 0.00 C ATOM 1053 C ILE A 68 2.240 -3.798 -1.359 1.00 0.00 C ATOM 1054 O ILE A 68 2.615 -4.642 -0.543 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.128 -4.463 -1.788 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.174 -4.792 -2.856 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.590 -3.284 -0.937 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.531 -5.156 -2.289 1.00 0.00 C ATOM 0 H ILE A 68 1.817 -6.142 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 68 1.108 -3.308 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.010 -5.333 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.286 -3.934 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.811 -5.620 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.553 -3.518 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.143 -3.091 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.691 -2.399 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.219 -5.376 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.435 -6.033 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.917 -4.321 -1.704 1.00 0.00 H new ATOM 1070 N LEU A 69 2.678 -2.554 -1.363 1.00 0.00 N ATOM 1071 CA LEU A 69 3.579 -2.062 -0.342 1.00 0.00 C ATOM 1072 C LEU A 69 2.776 -1.381 0.749 1.00 0.00 C ATOM 1073 O LEU A 69 2.241 -0.293 0.552 1.00 0.00 O ATOM 1074 CB LEU A 69 4.594 -1.088 -0.941 1.00 0.00 C ATOM 1075 CG LEU A 69 5.503 -1.680 -2.017 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.413 -0.608 -2.586 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.327 -2.827 -1.450 1.00 0.00 C ATOM 0 H LEU A 69 2.422 -1.862 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 69 4.128 -2.902 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.055 -0.242 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.217 -0.696 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 69 4.878 -2.070 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.055 -1.044 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.809 0.185 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.030 -0.193 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.968 -3.236 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.944 -2.461 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.660 -3.607 -1.083 1.00 0.00 H new ATOM 1089 N LEU A 70 2.666 -2.041 1.885 1.00 0.00 N ATOM 1090 CA LEU A 70 1.888 -1.525 2.992 1.00 0.00 C ATOM 1091 C LEU A 70 2.793 -0.803 3.976 1.00 0.00 C ATOM 1092 O LEU A 70 3.570 -1.432 4.695 1.00 0.00 O ATOM 1093 CB LEU A 70 1.144 -2.664 3.695 1.00 0.00 C ATOM 1094 CG LEU A 70 0.257 -2.242 4.871 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.845 -1.304 4.403 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.336 -3.466 5.553 1.00 0.00 C ATOM 0 H LEU A 70 3.109 -2.942 2.065 1.00 0.00 H new ATOM 0 HA LEU A 70 1.155 -0.817 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.524 -3.178 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.877 -3.386 4.055 1.00 0.00 H new ATOM 0 HG LEU A 70 0.874 -1.708 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.463 -1.016 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.400 -0.413 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.462 -1.810 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.964 -3.150 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.938 -4.025 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.468 -4.101 5.925 1.00 0.00 H new ATOM 1108 N GLY A 71 2.707 0.516 3.979 1.00 0.00 N ATOM 1109 CA GLY A 71 3.454 1.303 4.931 1.00 0.00 C ATOM 1110 C GLY A 71 2.644 1.532 6.184 1.00 0.00 C ATOM 1111 O GLY A 71 1.517 2.004 6.109 1.00 0.00 O ATOM 0 H GLY A 71 2.130 1.057 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.385 0.794 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.724 2.261 4.486 1.00 0.00 H new ATOM 1115 N THR A 72 3.194 1.170 7.328 1.00 0.00 N ATOM 1116 CA THR A 72 2.490 1.317 8.592 1.00 0.00 C ATOM 1117 C THR A 72 3.061 2.476 9.411 1.00 0.00 C ATOM 1118 O THR A 72 3.024 2.465 10.648 1.00 0.00 O ATOM 1119 CB THR A 72 2.570 0.013 9.409 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.940 -0.354 9.621 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.845 -1.120 8.697 1.00 0.00 C ATOM 0 H THR A 72 4.129 0.771 7.410 1.00 0.00 H new ATOM 0 HA THR A 72 1.446 1.535 8.366 1.00 0.00 H new ATOM 0 HB THR A 72 2.087 0.187 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.115 -0.422 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.916 -2.029 9.294 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.796 -0.854 8.564 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.303 -1.289 7.722 1.00 0.00 H new ATOM 1129 N GLY A 73 3.554 3.492 8.714 1.00 0.00 N ATOM 1130 CA GLY A 73 4.187 4.614 9.375 1.00 0.00 C ATOM 1131 C GLY A 73 5.450 4.214 10.112 1.00 0.00 C ATOM 1132 O GLY A 73 6.513 4.066 9.505 1.00 0.00 O ATOM 0 H GLY A 73 3.526 3.558 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.427 5.379 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.485 5.061 10.079 1.00 0.00 H new ATOM 1136 N GLU A 74 5.327 4.043 11.422 1.00 0.00 N ATOM 1137 CA GLU A 74 6.452 3.646 12.266 1.00 0.00 C ATOM 1138 C GLU A 74 6.073 2.445 13.125 1.00 0.00 C ATOM 1139 O GLU A 74 6.930 1.805 13.733 1.00 0.00 O ATOM 1140 CB GLU A 74 6.868 4.800 13.179 1.00 0.00 C ATOM 1141 CG GLU A 74 7.128 6.109 12.455 1.00 0.00 C ATOM 1142 CD GLU A 74 7.524 7.220 13.403 1.00 0.00 C ATOM 1143 OE1 GLU A 74 6.626 7.826 14.024 1.00 0.00 O ATOM 1144 OE2 GLU A 74 8.737 7.479 13.539 1.00 0.00 O ATOM 0 H GLU A 74 4.452 4.174 11.929 1.00 0.00 H new ATOM 0 HA GLU A 74 7.285 3.380 11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.087 4.959 13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.770 4.513 13.720 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.918 5.964 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.232 6.403 11.908 1.00 0.00 H new ATOM 1151 N ARG A 75 4.783 2.139 13.162 1.00 0.00 N ATOM 1152 CA ARG A 75 4.267 1.106 14.045 1.00 0.00 C ATOM 1153 C ARG A 75 4.129 -0.201 13.281 1.00 0.00 C ATOM 1154 O ARG A 75 3.386 -0.272 12.308 1.00 0.00 O ATOM 1155 CB ARG A 75 2.893 1.491 14.623 1.00 0.00 C ATOM 1156 CG ARG A 75 2.855 2.774 15.456 1.00 0.00 C ATOM 1157 CD ARG A 75 2.984 4.020 14.591 1.00 0.00 C ATOM 1158 NE ARG A 75 2.554 5.237 15.282 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.271 6.361 15.328 1.00 0.00 C ATOM 1160 NH1 ARG A 75 4.519 6.367 14.879 1.00 0.00 N ATOM 1161 NH2 ARG A 75 2.750 7.465 15.852 1.00 0.00 N ATOM 0 H ARG A 75 4.074 2.594 12.588 1.00 0.00 H new ATOM 0 HA ARG A 75 4.972 0.993 14.869 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.189 1.596 13.797 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.537 0.668 15.242 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.920 2.816 16.015 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.663 2.755 16.187 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.022 4.133 14.277 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.390 3.892 13.686 1.00 0.00 H new ATOM 0 HE ARG A 75 1.651 5.225 15.757 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.929 5.513 14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.069 7.225 14.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.799 7.455 16.221 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.301 8.323 15.886 1.00 0.00 H new ATOM 1175 N GLN A 76 4.850 -1.225 13.700 1.00 0.00 N ATOM 1176 CA GLN A 76 4.725 -2.524 13.061 1.00 0.00 C ATOM 1177 C GLN A 76 3.478 -3.230 13.572 1.00 0.00 C ATOM 1178 O GLN A 76 3.492 -3.856 14.634 1.00 0.00 O ATOM 1179 CB GLN A 76 5.964 -3.390 13.296 1.00 0.00 C ATOM 1180 CG GLN A 76 5.934 -4.699 12.522 1.00 0.00 C ATOM 1181 CD GLN A 76 7.158 -5.560 12.761 1.00 0.00 C ATOM 1182 OE1 GLN A 76 7.180 -6.384 13.671 1.00 0.00 O ATOM 1183 NE2 GLN A 76 8.184 -5.370 11.947 1.00 0.00 N ATOM 0 H GLN A 76 5.519 -1.186 14.469 1.00 0.00 H new ATOM 0 HA GLN A 76 4.637 -2.366 11.986 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.853 -2.827 13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.052 -3.607 14.361 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.042 -5.260 12.803 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.852 -4.482 11.457 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.123 -4.674 11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.036 -5.919 12.063 1.00 0.00 H new ATOM 1192 N GLN A 77 2.390 -3.086 12.835 1.00 0.00 N ATOM 1193 CA GLN A 77 1.132 -3.720 13.186 1.00 0.00 C ATOM 1194 C GLN A 77 0.617 -4.523 12.007 1.00 0.00 C ATOM 1195 O GLN A 77 0.897 -4.191 10.853 1.00 0.00 O ATOM 1196 CB GLN A 77 0.092 -2.675 13.599 1.00 0.00 C ATOM 1197 CG GLN A 77 0.496 -1.845 14.805 1.00 0.00 C ATOM 1198 CD GLN A 77 -0.551 -0.817 15.186 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.531 0.315 14.704 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -1.466 -1.196 16.063 1.00 0.00 N ATOM 0 H GLN A 77 2.354 -2.529 11.981 1.00 0.00 H new ATOM 0 HA GLN A 77 1.304 -4.386 14.032 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.092 -2.008 12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.849 -3.180 13.817 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.675 -2.507 15.653 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.437 -1.337 14.593 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.449 -2.144 16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.188 -0.541 16.362 1.00 0.00 H new ATOM 1209 N PHE A 78 -0.127 -5.575 12.290 1.00 0.00 N ATOM 1210 CA PHE A 78 -0.663 -6.428 11.245 1.00 0.00 C ATOM 1211 C PHE A 78 -2.182 -6.332 11.207 1.00 0.00 C ATOM 1212 O PHE A 78 -2.832 -6.292 12.255 1.00 0.00 O ATOM 1213 CB PHE A 78 -0.223 -7.880 11.459 1.00 0.00 C ATOM 1214 CG PHE A 78 1.266 -8.065 11.403 1.00 0.00 C ATOM 1215 CD1 PHE A 78 1.923 -8.135 10.183 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.011 -8.164 12.567 1.00 0.00 C ATOM 1217 CE1 PHE A 78 3.295 -8.297 10.128 1.00 0.00 C ATOM 1218 CE2 PHE A 78 3.383 -8.327 12.517 1.00 0.00 C ATOM 1219 CZ PHE A 78 4.025 -8.396 11.295 1.00 0.00 C ATOM 0 H PHE A 78 -0.375 -5.861 13.237 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.271 -6.087 10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.589 -8.224 12.427 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.689 -8.509 10.700 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.357 -8.062 9.266 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.514 -8.113 13.525 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.795 -8.346 9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.952 -8.400 13.432 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.096 -8.527 11.253 1.00 0.00 H new ATOM 1229 N PRO A 79 -2.764 -6.267 10.001 1.00 0.00 N ATOM 1230 CA PRO A 79 -4.214 -6.203 9.826 1.00 0.00 C ATOM 1231 C PRO A 79 -4.892 -7.515 10.207 1.00 0.00 C ATOM 1232 O PRO A 79 -4.222 -8.513 10.482 1.00 0.00 O ATOM 1233 CB PRO A 79 -4.398 -5.929 8.324 1.00 0.00 C ATOM 1234 CG PRO A 79 -3.044 -5.558 7.815 1.00 0.00 C ATOM 1235 CD PRO A 79 -2.059 -6.244 8.715 1.00 0.00 C ATOM 0 HA PRO A 79 -4.663 -5.441 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.783 -6.809 7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.114 -5.124 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.915 -5.878 6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.903 -4.477 7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.821 -7.248 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.118 -5.697 8.778 1.00 0.00 H new ATOM 1243 N SER A 80 -6.216 -7.508 10.211 1.00 0.00 N ATOM 1244 CA SER A 80 -6.986 -8.694 10.549 1.00 0.00 C ATOM 1245 C SER A 80 -6.720 -9.815 9.546 1.00 0.00 C ATOM 1246 O SER A 80 -6.421 -9.559 8.374 1.00 0.00 O ATOM 1247 CB SER A 80 -8.478 -8.350 10.593 1.00 0.00 C ATOM 1248 OG SER A 80 -8.869 -7.617 9.442 1.00 0.00 O ATOM 0 H SER A 80 -6.781 -6.690 9.983 1.00 0.00 H new ATOM 0 HA SER A 80 -6.677 -9.045 11.534 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.064 -9.267 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.694 -7.768 11.489 1.00 0.00 H new ATOM 0 HG SER A 80 -8.757 -6.658 9.611 1.00 0.00 H new ATOM 1254 N THR A 81 -6.828 -11.053 10.011 1.00 0.00 N ATOM 1255 CA THR A 81 -6.602 -12.216 9.176 1.00 0.00 C ATOM 1256 C THR A 81 -7.527 -12.223 7.959 1.00 0.00 C ATOM 1257 O THR A 81 -7.183 -12.763 6.906 1.00 0.00 O ATOM 1258 CB THR A 81 -6.802 -13.499 9.997 1.00 0.00 C ATOM 1259 OG1 THR A 81 -7.898 -13.324 10.905 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.541 -13.852 10.771 1.00 0.00 C ATOM 0 H THR A 81 -7.074 -11.274 10.976 1.00 0.00 H new ATOM 0 HA THR A 81 -5.575 -12.173 8.814 1.00 0.00 H new ATOM 0 HB THR A 81 -7.022 -14.317 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.025 -14.144 11.426 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.709 -14.764 11.344 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.718 -14.008 10.074 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.291 -13.037 11.451 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.690 -11.600 8.113 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.650 -11.469 7.025 1.00 0.00 C ATOM 1270 C ASP A 82 -9.047 -10.691 5.860 1.00 0.00 C ATOM 1271 O ASP A 82 -9.224 -11.054 4.698 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.916 -10.766 7.517 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.697 -11.605 8.506 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -11.345 -11.600 9.705 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.659 -12.280 8.081 1.00 0.00 O ATOM 0 H ASP A 82 -8.992 -11.174 8.989 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.908 -12.470 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.644 -9.819 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.552 -10.530 6.664 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.319 -9.628 6.185 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.659 -8.809 5.176 1.00 0.00 C ATOM 1282 C VAL A 83 -6.540 -9.597 4.506 1.00 0.00 C ATOM 1283 O VAL A 83 -6.372 -9.554 3.285 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.074 -7.519 5.795 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -6.362 -6.683 4.743 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.168 -6.704 6.464 1.00 0.00 C ATOM 0 H VAL A 83 -8.171 -9.313 7.144 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.408 -8.531 4.435 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.344 -7.810 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.960 -5.782 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.547 -7.262 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.068 -6.405 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.737 -5.800 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.922 -6.431 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.631 -7.296 7.253 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.791 -10.329 5.318 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.675 -11.126 4.829 1.00 0.00 C ATOM 1298 C LEU A 84 -5.158 -12.179 3.834 1.00 0.00 C ATOM 1299 O LEU A 84 -4.604 -12.314 2.744 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.957 -11.799 6.000 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.443 -10.845 7.082 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.813 -11.626 8.223 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.444 -9.858 6.495 1.00 0.00 C ATOM 0 H LEU A 84 -5.938 -10.387 6.326 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.977 -10.464 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.639 -12.514 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.114 -12.369 5.610 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.290 -10.282 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.453 -10.933 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.556 -12.292 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.978 -12.214 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.090 -9.189 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.599 -10.403 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.927 -9.275 5.711 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.207 -12.905 4.212 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.767 -13.955 3.366 1.00 0.00 C ATOM 1317 C ALA A 85 -7.238 -13.394 2.028 1.00 0.00 C ATOM 1318 O ALA A 85 -7.052 -14.017 0.982 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.914 -14.649 4.082 1.00 0.00 C ATOM 0 H ALA A 85 -6.688 -12.784 5.103 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.981 -14.683 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.324 -15.430 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.549 -15.094 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.693 -13.922 4.311 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.826 -12.204 2.065 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.344 -11.565 0.860 1.00 0.00 C ATOM 1327 C ALA A 86 -7.220 -11.230 -0.120 1.00 0.00 C ATOM 1328 O ALA A 86 -7.430 -11.188 -1.334 1.00 0.00 O ATOM 1329 CB ALA A 86 -9.125 -10.311 1.225 1.00 0.00 C ATOM 0 H ALA A 86 -7.956 -11.661 2.918 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.015 -12.268 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.507 -9.843 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.959 -10.578 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.469 -9.613 1.745 1.00 0.00 H new ATOM 1335 N CYS A 87 -6.027 -10.996 0.409 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.874 -10.679 -0.423 1.00 0.00 C ATOM 1337 C CYS A 87 -4.170 -11.960 -0.870 1.00 0.00 C ATOM 1338 O CYS A 87 -3.742 -12.077 -2.021 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.901 -9.777 0.342 1.00 0.00 C ATOM 1340 SG CYS A 87 -2.506 -9.173 -0.640 1.00 0.00 S ATOM 0 H CYS A 87 -5.832 -11.020 1.410 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.221 -10.147 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.451 -8.921 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.514 -10.327 1.200 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.759 -10.176 -0.995 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.071 -12.926 0.041 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.382 -14.184 -0.236 1.00 0.00 C ATOM 1348 C LEU A 88 -4.107 -14.997 -1.303 1.00 0.00 C ATOM 1349 O LEU A 88 -3.472 -15.609 -2.159 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.242 -15.013 1.045 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.361 -14.389 2.129 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.323 -15.281 3.360 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.953 -14.147 1.601 1.00 0.00 C ATOM 0 H LEU A 88 -4.461 -12.861 0.981 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.390 -13.937 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.236 -15.183 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.834 -15.990 0.784 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.791 -13.428 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.692 -14.823 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.333 -15.404 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.917 -16.256 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.341 -13.703 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.513 -15.095 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.996 -13.470 0.748 1.00 0.00 H new ATOM 1365 N THR A 89 -5.434 -14.989 -1.259 1.00 0.00 N ATOM 1366 CA THR A 89 -6.234 -15.729 -2.231 1.00 0.00 C ATOM 1367 C THR A 89 -5.993 -15.218 -3.650 1.00 0.00 C ATOM 1368 O THR A 89 -6.054 -15.978 -4.618 1.00 0.00 O ATOM 1369 CB THR A 89 -7.735 -15.634 -1.901 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.094 -14.268 -1.657 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.077 -16.480 -0.686 1.00 0.00 C ATOM 0 H THR A 89 -5.979 -14.480 -0.563 1.00 0.00 H new ATOM 0 HA THR A 89 -5.923 -16.772 -2.174 1.00 0.00 H new ATOM 0 HB THR A 89 -8.299 -16.012 -2.754 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.887 -14.036 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.143 -16.396 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.828 -17.522 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.506 -16.129 0.174 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.697 -13.930 -3.760 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.441 -13.307 -5.053 1.00 0.00 C ATOM 1381 C ARG A 90 -3.975 -13.456 -5.452 1.00 0.00 C ATOM 1382 O ARG A 90 -3.575 -13.036 -6.537 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.827 -11.829 -5.013 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.327 -11.591 -4.982 1.00 0.00 C ATOM 1385 CD ARG A 90 -7.649 -10.125 -4.749 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.064 -9.829 -4.969 1.00 0.00 N ATOM 1387 CZ ARG A 90 -9.999 -9.871 -4.019 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -9.684 -10.249 -2.785 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.253 -9.550 -4.309 1.00 0.00 N ATOM 0 H ARG A 90 -5.628 -13.293 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.051 -13.814 -5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.377 -11.369 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.406 -11.329 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.769 -11.917 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.777 -12.194 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.377 -9.852 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.043 -9.511 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.355 -9.573 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.723 -10.509 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.403 -10.279 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.502 -9.271 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.969 -9.582 -3.583 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.183 -14.060 -4.571 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.772 -14.266 -4.851 1.00 0.00 C ATOM 1405 C GLY A 91 -1.003 -12.963 -4.952 1.00 0.00 C ATOM 1406 O GLY A 91 -0.027 -12.862 -5.698 1.00 0.00 O ATOM 0 H GLY A 91 -3.494 -14.412 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.335 -14.882 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.667 -14.819 -5.784 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.443 -11.963 -4.204 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.803 -10.659 -4.226 1.00 0.00 C ATOM 1412 C ILE A 92 0.234 -10.561 -3.113 1.00 0.00 C ATOM 1413 O ILE A 92 -0.040 -10.918 -1.964 1.00 0.00 O ATOM 1414 CB ILE A 92 -1.834 -9.521 -4.069 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -2.926 -9.643 -5.136 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.148 -8.164 -4.164 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.031 -8.618 -4.994 1.00 0.00 C ATOM 0 H ILE A 92 -2.242 -12.031 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.314 -10.549 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.297 -9.605 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.472 -9.541 -6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.360 -10.642 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.889 -7.373 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.402 -8.077 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.661 -8.069 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.768 -8.766 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.512 -8.734 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.610 -7.616 -5.073 1.00 0.00 H new ATOM 1429 N GLY A 93 1.427 -10.096 -3.463 1.00 0.00 N ATOM 1430 CA GLY A 93 2.486 -9.951 -2.486 1.00 0.00 C ATOM 1431 C GLY A 93 2.274 -8.745 -1.597 1.00 0.00 C ATOM 1432 O GLY A 93 2.379 -7.608 -2.055 1.00 0.00 O ATOM 0 H GLY A 93 1.679 -9.816 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.538 -10.850 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.443 -9.860 -2.999 1.00 0.00 H new ATOM 1436 N LEU A 94 1.965 -8.989 -0.334 1.00 0.00 N ATOM 1437 CA LEU A 94 1.712 -7.911 0.612 1.00 0.00 C ATOM 1438 C LEU A 94 2.930 -7.681 1.498 1.00 0.00 C ATOM 1439 O LEU A 94 3.223 -8.481 2.387 1.00 0.00 O ATOM 1440 CB LEU A 94 0.487 -8.234 1.472 1.00 0.00 C ATOM 1441 CG LEU A 94 0.099 -7.159 2.491 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.272 -5.861 1.792 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.051 -7.643 3.359 1.00 0.00 C ATOM 0 H LEU A 94 1.883 -9.925 0.062 1.00 0.00 H new ATOM 0 HA LEU A 94 1.515 -6.999 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.363 -8.409 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.674 -9.166 2.006 1.00 0.00 H new ATOM 0 HG LEU A 94 0.961 -6.967 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.544 -5.112 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.579 -5.504 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.117 -6.035 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.315 -6.868 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.914 -7.864 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.750 -8.545 3.892 1.00 0.00 H new ATOM 1455 N GLU A 95 3.639 -6.591 1.246 1.00 0.00 N ATOM 1456 CA GLU A 95 4.827 -6.257 2.018 1.00 0.00 C ATOM 1457 C GLU A 95 4.489 -5.214 3.076 1.00 0.00 C ATOM 1458 O GLU A 95 4.244 -4.055 2.750 1.00 0.00 O ATOM 1459 CB GLU A 95 5.929 -5.715 1.103 1.00 0.00 C ATOM 1460 CG GLU A 95 6.250 -6.609 -0.084 1.00 0.00 C ATOM 1461 CD GLU A 95 6.703 -7.998 0.321 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.784 -8.124 0.935 1.00 0.00 O ATOM 1463 OE2 GLU A 95 5.998 -8.975 -0.006 1.00 0.00 O ATOM 0 H GLU A 95 3.412 -5.921 0.511 1.00 0.00 H new ATOM 0 HA GLU A 95 5.184 -7.165 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.629 -4.734 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.836 -5.571 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.367 -6.692 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.030 -6.140 -0.684 1.00 0.00 H new ATOM 1470 N ALA A 96 4.470 -5.625 4.334 1.00 0.00 N ATOM 1471 CA ALA A 96 4.164 -4.716 5.430 1.00 0.00 C ATOM 1472 C ALA A 96 5.452 -4.160 6.026 1.00 0.00 C ATOM 1473 O ALA A 96 6.232 -4.893 6.637 1.00 0.00 O ATOM 1474 CB ALA A 96 3.341 -5.423 6.497 1.00 0.00 C ATOM 0 H ALA A 96 4.663 -6.584 4.623 1.00 0.00 H new ATOM 0 HA ALA A 96 3.574 -3.886 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.122 -4.728 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.407 -5.777 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.903 -6.271 6.888 1.00 0.00 H new ATOM 1480 N MET A 97 5.673 -2.868 5.834 1.00 0.00 N ATOM 1481 CA MET A 97 6.903 -2.217 6.269 1.00 0.00 C ATOM 1482 C MET A 97 6.604 -0.810 6.766 1.00 0.00 C ATOM 1483 O MET A 97 5.467 -0.353 6.703 1.00 0.00 O ATOM 1484 CB MET A 97 7.905 -2.142 5.110 1.00 0.00 C ATOM 1485 CG MET A 97 8.343 -3.495 4.576 1.00 0.00 C ATOM 1486 SD MET A 97 9.358 -3.355 3.092 1.00 0.00 S ATOM 1487 CE MET A 97 8.210 -2.553 1.972 1.00 0.00 C ATOM 0 H MET A 97 5.010 -2.243 5.375 1.00 0.00 H new ATOM 0 HA MET A 97 7.334 -2.804 7.080 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.460 -1.570 4.296 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.786 -1.592 5.441 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.904 -4.022 5.348 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.462 -4.097 4.354 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.615 -2.573 0.960 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.256 -3.079 1.991 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.060 -1.519 2.283 1.00 0.00 H new ATOM 1497 N THR A 98 7.624 -0.125 7.255 1.00 0.00 N ATOM 1498 CA THR A 98 7.476 1.259 7.665 1.00 0.00 C ATOM 1499 C THR A 98 7.597 2.178 6.452 1.00 0.00 C ATOM 1500 O THR A 98 8.052 1.746 5.387 1.00 0.00 O ATOM 1501 CB THR A 98 8.531 1.640 8.721 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.842 1.289 8.253 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.250 0.937 10.041 1.00 0.00 C ATOM 0 H THR A 98 8.562 -0.505 7.377 1.00 0.00 H new ATOM 0 HA THR A 98 6.489 1.378 8.111 1.00 0.00 H new ATOM 0 HB THR A 98 8.482 2.717 8.884 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.508 1.536 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.007 1.220 10.772 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.265 1.229 10.406 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.276 -0.142 9.891 1.00 0.00 H new ATOM 1511 N ASN A 99 7.203 3.439 6.608 1.00 0.00 N ATOM 1512 CA ASN A 99 7.216 4.384 5.489 1.00 0.00 C ATOM 1513 C ASN A 99 8.621 4.569 4.931 1.00 0.00 C ATOM 1514 O ASN A 99 8.792 4.842 3.743 1.00 0.00 O ATOM 1515 CB ASN A 99 6.646 5.749 5.898 1.00 0.00 C ATOM 1516 CG ASN A 99 5.168 5.692 6.234 1.00 0.00 C ATOM 1517 OD1 ASN A 99 4.469 4.759 5.850 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.675 6.709 6.923 1.00 0.00 N ATOM 0 H ASN A 99 6.873 3.830 7.490 1.00 0.00 H new ATOM 0 HA ASN A 99 6.582 3.956 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.196 6.123 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.802 6.461 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.681 6.736 7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.289 7.466 7.225 1.00 0.00 H new ATOM 1525 N ALA A 100 9.621 4.405 5.789 1.00 0.00 N ATOM 1526 CA ALA A 100 11.013 4.548 5.383 1.00 0.00 C ATOM 1527 C ALA A 100 11.386 3.509 4.333 1.00 0.00 C ATOM 1528 O ALA A 100 12.011 3.827 3.321 1.00 0.00 O ATOM 1529 CB ALA A 100 11.930 4.427 6.591 1.00 0.00 C ATOM 0 H ALA A 100 9.492 4.172 6.774 1.00 0.00 H new ATOM 0 HA ALA A 100 11.137 5.537 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.967 4.536 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.688 5.208 7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.793 3.450 7.055 1.00 0.00 H new ATOM 1535 N ALA A 101 10.980 2.268 4.574 1.00 0.00 N ATOM 1536 CA ALA A 101 11.309 1.170 3.681 1.00 0.00 C ATOM 1537 C ALA A 101 10.372 1.140 2.478 1.00 0.00 C ATOM 1538 O ALA A 101 10.801 0.866 1.357 1.00 0.00 O ATOM 1539 CB ALA A 101 11.252 -0.152 4.430 1.00 0.00 C ATOM 0 H ALA A 101 10.421 1.999 5.384 1.00 0.00 H new ATOM 0 HA ALA A 101 12.323 1.324 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.500 -0.967 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.967 -0.135 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.248 -0.303 4.825 1.00 0.00 H new ATOM 1545 N ALA A 102 9.098 1.444 2.720 1.00 0.00 N ATOM 1546 CA ALA A 102 8.078 1.395 1.675 1.00 0.00 C ATOM 1547 C ALA A 102 8.420 2.318 0.511 1.00 0.00 C ATOM 1548 O ALA A 102 8.332 1.919 -0.652 1.00 0.00 O ATOM 1549 CB ALA A 102 6.714 1.751 2.252 1.00 0.00 C ATOM 0 H ALA A 102 8.747 1.728 3.635 1.00 0.00 H new ATOM 0 HA ALA A 102 8.047 0.376 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.963 1.711 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.454 1.040 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.747 2.757 2.670 1.00 0.00 H new ATOM 1555 N ALA A 103 8.826 3.543 0.828 1.00 0.00 N ATOM 1556 CA ALA A 103 9.169 4.526 -0.195 1.00 0.00 C ATOM 1557 C ALA A 103 10.348 4.052 -1.040 1.00 0.00 C ATOM 1558 O ALA A 103 10.361 4.224 -2.260 1.00 0.00 O ATOM 1559 CB ALA A 103 9.483 5.866 0.449 1.00 0.00 C ATOM 0 H ALA A 103 8.926 3.880 1.786 1.00 0.00 H new ATOM 0 HA ALA A 103 8.309 4.644 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.737 6.591 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.612 6.217 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.325 5.753 1.132 1.00 0.00 H new ATOM 1565 N ARG A 104 11.327 3.439 -0.383 1.00 0.00 N ATOM 1566 CA ARG A 104 12.514 2.937 -1.064 1.00 0.00 C ATOM 1567 C ARG A 104 12.151 1.798 -2.013 1.00 0.00 C ATOM 1568 O ARG A 104 12.575 1.779 -3.169 1.00 0.00 O ATOM 1569 CB ARG A 104 13.553 2.469 -0.040 1.00 0.00 C ATOM 1570 CG ARG A 104 14.797 1.847 -0.658 1.00 0.00 C ATOM 1571 CD ARG A 104 15.830 1.501 0.403 1.00 0.00 C ATOM 1572 NE ARG A 104 16.382 2.696 1.038 1.00 0.00 N ATOM 1573 CZ ARG A 104 16.302 2.961 2.341 1.00 0.00 C ATOM 1574 NH1 ARG A 104 15.649 2.140 3.160 1.00 0.00 N ATOM 1575 NH2 ARG A 104 16.873 4.059 2.827 1.00 0.00 N ATOM 0 H ARG A 104 11.321 3.278 0.624 1.00 0.00 H new ATOM 0 HA ARG A 104 12.943 3.748 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.851 3.319 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 104 13.089 1.742 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.521 0.946 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.232 2.539 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.372 0.866 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.637 0.925 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 104 16.861 3.373 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.204 1.299 2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 104 15.593 2.351 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 104 17.370 4.695 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.814 4.266 3.824 1.00 0.00 H new ATOM 1589 N THR A 105 11.346 0.860 -1.524 1.00 0.00 N ATOM 1590 CA THR A 105 10.943 -0.285 -2.328 1.00 0.00 C ATOM 1591 C THR A 105 10.038 0.134 -3.483 1.00 0.00 C ATOM 1592 O THR A 105 10.045 -0.492 -4.543 1.00 0.00 O ATOM 1593 CB THR A 105 10.232 -1.351 -1.470 1.00 0.00 C ATOM 1594 OG1 THR A 105 9.240 -0.741 -0.634 1.00 0.00 O ATOM 1595 CG2 THR A 105 11.232 -2.105 -0.608 1.00 0.00 C ATOM 0 H THR A 105 10.962 0.871 -0.579 1.00 0.00 H new ATOM 0 HA THR A 105 11.854 -0.718 -2.740 1.00 0.00 H new ATOM 0 HB THR A 105 9.747 -2.056 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 105 9.061 0.169 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.708 -2.852 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 105 11.963 -2.599 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.743 -1.405 0.054 1.00 0.00 H new ATOM 1603 N TYR A 106 9.276 1.209 -3.281 1.00 0.00 N ATOM 1604 CA TYR A 106 8.355 1.696 -4.301 1.00 0.00 C ATOM 1605 C TYR A 106 9.106 2.110 -5.557 1.00 0.00 C ATOM 1606 O TYR A 106 8.730 1.731 -6.665 1.00 0.00 O ATOM 1607 CB TYR A 106 7.529 2.874 -3.770 1.00 0.00 C ATOM 1608 CG TYR A 106 6.618 3.494 -4.810 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.441 2.863 -5.197 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.939 4.707 -5.409 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.614 3.422 -6.154 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.116 5.273 -6.365 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.956 4.626 -6.734 1.00 0.00 C ATOM 1614 OH TYR A 106 4.136 5.183 -7.690 1.00 0.00 O ATOM 0 H TYR A 106 9.280 1.757 -2.421 1.00 0.00 H new ATOM 0 HA TYR A 106 7.678 0.881 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.926 2.534 -2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.206 3.639 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.168 1.922 -4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.847 5.216 -5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.704 2.918 -6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.380 6.216 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 106 4.520 6.031 -7.996 1.00 0.00 H new ATOM 1624 N ASN A 107 10.174 2.877 -5.379 1.00 0.00 N ATOM 1625 CA ASN A 107 10.964 3.361 -6.506 1.00 0.00 C ATOM 1626 C ASN A 107 11.542 2.190 -7.297 1.00 0.00 C ATOM 1627 O ASN A 107 11.483 2.168 -8.527 1.00 0.00 O ATOM 1628 CB ASN A 107 12.094 4.272 -6.017 1.00 0.00 C ATOM 1629 CG ASN A 107 12.837 4.952 -7.157 1.00 0.00 C ATOM 1630 OD1 ASN A 107 12.124 5.276 -8.226 1.00 0.00 O flip ATOM 1631 ND2 ASN A 107 14.039 5.196 -7.070 1.00 0.00 N flip ATOM 0 H ASN A 107 10.514 3.178 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 107 10.308 3.936 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.681 5.032 -5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.799 3.685 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.554 4.931 -6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.521 5.664 -7.838 1.00 0.00 H new ATOM 1638 N VAL A 108 12.068 1.206 -6.578 1.00 0.00 N ATOM 1639 CA VAL A 108 12.675 0.036 -7.202 1.00 0.00 C ATOM 1640 C VAL A 108 11.639 -0.767 -7.991 1.00 0.00 C ATOM 1641 O VAL A 108 11.860 -1.110 -9.153 1.00 0.00 O ATOM 1642 CB VAL A 108 13.340 -0.880 -6.152 1.00 0.00 C ATOM 1643 CG1 VAL A 108 14.015 -2.070 -6.819 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.341 -0.097 -5.315 1.00 0.00 C ATOM 0 H VAL A 108 12.087 1.195 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 108 13.441 0.401 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 108 12.560 -1.259 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.476 -2.700 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.272 -2.649 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.781 -1.715 -7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.799 -0.760 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.114 0.315 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.828 0.715 -4.800 1.00 0.00 H new ATOM 1654 N LEU A 109 10.500 -1.044 -7.365 1.00 0.00 N ATOM 1655 CA LEU A 109 9.457 -1.847 -7.998 1.00 0.00 C ATOM 1656 C LEU A 109 8.818 -1.106 -9.171 1.00 0.00 C ATOM 1657 O LEU A 109 8.372 -1.729 -10.137 1.00 0.00 O ATOM 1658 CB LEU A 109 8.386 -2.245 -6.979 1.00 0.00 C ATOM 1659 CG LEU A 109 8.869 -3.173 -5.862 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.731 -3.500 -4.910 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.457 -4.450 -6.446 1.00 0.00 C ATOM 0 H LEU A 109 10.275 -0.726 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 109 9.928 -2.751 -8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.980 -1.339 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.567 -2.733 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 109 9.649 -2.658 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.094 -4.161 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.353 -2.580 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.929 -3.995 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.795 -5.098 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.696 -4.967 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.301 -4.201 -7.089 1.00 0.00 H new ATOM 1673 N ALA A 110 8.783 0.218 -9.087 1.00 0.00 N ATOM 1674 CA ALA A 110 8.244 1.037 -10.165 1.00 0.00 C ATOM 1675 C ALA A 110 9.097 0.902 -11.422 1.00 0.00 C ATOM 1676 O ALA A 110 8.572 0.755 -12.528 1.00 0.00 O ATOM 1677 CB ALA A 110 8.156 2.494 -9.737 1.00 0.00 C ATOM 0 H ALA A 110 9.121 0.747 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 110 7.239 0.682 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.751 3.090 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.503 2.579 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.151 2.858 -9.480 1.00 0.00 H new ATOM 1683 N SER A 111 10.412 0.936 -11.246 1.00 0.00 N ATOM 1684 CA SER A 111 11.337 0.812 -12.363 1.00 0.00 C ATOM 1685 C SER A 111 11.468 -0.641 -12.814 1.00 0.00 C ATOM 1686 O SER A 111 11.898 -0.917 -13.934 1.00 0.00 O ATOM 1687 CB SER A 111 12.705 1.375 -11.977 1.00 0.00 C ATOM 1688 OG SER A 111 12.611 2.753 -11.651 1.00 0.00 O ATOM 0 H SER A 111 10.862 1.049 -10.337 1.00 0.00 H new ATOM 0 HA SER A 111 10.939 1.387 -13.199 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.104 0.822 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.405 1.239 -12.802 1.00 0.00 H new ATOM 0 HG SER A 111 13.497 3.092 -11.405 1.00 0.00 H new ATOM 1694 N GLU A 112 11.090 -1.567 -11.944 1.00 0.00 N ATOM 1695 CA GLU A 112 11.131 -2.984 -12.273 1.00 0.00 C ATOM 1696 C GLU A 112 10.052 -3.312 -13.306 1.00 0.00 C ATOM 1697 O GLU A 112 10.180 -4.259 -14.087 1.00 0.00 O ATOM 1698 CB GLU A 112 10.931 -3.825 -11.010 1.00 0.00 C ATOM 1699 CG GLU A 112 11.282 -5.293 -11.188 1.00 0.00 C ATOM 1700 CD GLU A 112 12.749 -5.502 -11.502 1.00 0.00 C ATOM 1701 OE1 GLU A 112 13.551 -5.619 -10.555 1.00 0.00 O ATOM 1702 OE2 GLU A 112 13.109 -5.544 -12.697 1.00 0.00 O ATOM 0 H GLU A 112 10.751 -1.362 -11.004 1.00 0.00 H new ATOM 0 HA GLU A 112 12.107 -3.221 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.541 -3.410 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.891 -3.746 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.027 -5.838 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.678 -5.713 -11.992 1.00 0.00 H new ATOM 1709 N GLY A 113 8.994 -2.511 -13.308 1.00 0.00 N ATOM 1710 CA GLY A 113 7.918 -2.707 -14.256 1.00 0.00 C ATOM 1711 C GLY A 113 6.891 -3.696 -13.753 1.00 0.00 C ATOM 1712 O GLY A 113 6.581 -4.679 -14.426 1.00 0.00 O ATOM 0 H GLY A 113 8.863 -1.728 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.433 -1.752 -14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.328 -3.061 -15.202 1.00 0.00 H new ATOM 1716 N ARG A 114 6.370 -3.447 -12.561 1.00 0.00 N ATOM 1717 CA ARG A 114 5.386 -4.330 -11.957 1.00 0.00 C ATOM 1718 C ARG A 114 4.202 -3.520 -11.449 1.00 0.00 C ATOM 1719 O ARG A 114 4.336 -2.328 -11.164 1.00 0.00 O ATOM 1720 CB ARG A 114 6.011 -5.116 -10.800 1.00 0.00 C ATOM 1721 CG ARG A 114 7.277 -5.867 -11.181 1.00 0.00 C ATOM 1722 CD ARG A 114 7.837 -6.657 -10.011 1.00 0.00 C ATOM 1723 NE ARG A 114 6.951 -7.750 -9.617 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.991 -8.354 -8.434 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.848 -7.952 -7.500 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.169 -9.364 -8.185 1.00 0.00 N ATOM 0 H ARG A 114 6.614 -2.637 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 114 5.041 -5.034 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.239 -4.427 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.278 -5.828 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 114 7.063 -6.544 -12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.027 -5.159 -11.534 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.813 -7.060 -10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.990 -5.990 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 114 6.258 -8.070 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.481 -7.175 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.872 -8.421 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.510 -9.674 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.195 -9.831 -7.279 1.00 0.00 H new ATOM 1740 N ARG A 115 3.043 -4.161 -11.345 1.00 0.00 N ATOM 1741 CA ARG A 115 1.856 -3.506 -10.807 1.00 0.00 C ATOM 1742 C ARG A 115 1.978 -3.348 -9.297 1.00 0.00 C ATOM 1743 O ARG A 115 1.505 -4.189 -8.530 1.00 0.00 O ATOM 1744 CB ARG A 115 0.592 -4.297 -11.154 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.299 -3.621 -12.184 1.00 0.00 C ATOM 1746 CD ARG A 115 -0.965 -2.372 -11.621 1.00 0.00 C ATOM 1747 NE ARG A 115 -1.849 -1.736 -12.597 1.00 0.00 N ATOM 1748 CZ ARG A 115 -2.956 -1.055 -12.286 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -3.330 -0.926 -11.017 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.694 -0.514 -13.248 1.00 0.00 N ATOM 0 H ARG A 115 2.900 -5.131 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 115 1.778 -2.518 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.882 -5.279 -11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.017 -4.460 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.294 -3.354 -13.059 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.064 -4.322 -12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.537 -2.636 -10.731 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.199 -1.662 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.604 -1.818 -13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.771 -1.348 -10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.176 -0.405 -10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.416 -0.618 -14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.539 0.006 -13.011 1.00 0.00 H new ATOM 1764 N VAL A 116 2.643 -2.284 -8.881 1.00 0.00 N ATOM 1765 CA VAL A 116 2.846 -2.016 -7.471 1.00 0.00 C ATOM 1766 C VAL A 116 1.761 -1.084 -6.937 1.00 0.00 C ATOM 1767 O VAL A 116 1.420 -0.078 -7.561 1.00 0.00 O ATOM 1768 CB VAL A 116 4.252 -1.418 -7.202 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.465 -0.129 -7.984 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.469 -1.188 -5.715 1.00 0.00 C ATOM 0 H VAL A 116 3.053 -1.589 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 116 2.781 -2.968 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 116 4.990 -2.143 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.460 0.264 -7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.373 -0.331 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.715 0.604 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.462 -0.768 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.716 -0.494 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.385 -2.136 -5.184 1.00 0.00 H new ATOM 1780 N ALA A 117 1.193 -1.454 -5.802 1.00 0.00 N ATOM 1781 CA ALA A 117 0.206 -0.629 -5.132 1.00 0.00 C ATOM 1782 C ALA A 117 0.771 -0.119 -3.818 1.00 0.00 C ATOM 1783 O ALA A 117 1.052 -0.903 -2.912 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.071 -1.417 -4.888 1.00 0.00 C ATOM 0 H ALA A 117 1.402 -2.330 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.035 0.221 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.800 -0.782 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.479 -1.753 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.851 -2.282 -4.263 1.00 0.00 H new ATOM 1790 N LEU A 118 0.960 1.185 -3.720 1.00 0.00 N ATOM 1791 CA LEU A 118 1.519 1.770 -2.515 1.00 0.00 C ATOM 1792 C LEU A 118 0.412 2.133 -1.536 1.00 0.00 C ATOM 1793 O LEU A 118 -0.245 3.168 -1.675 1.00 0.00 O ATOM 1794 CB LEU A 118 2.359 3.007 -2.851 1.00 0.00 C ATOM 1795 CG LEU A 118 3.096 3.639 -1.667 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.126 2.675 -1.101 1.00 0.00 C ATOM 1797 CD2 LEU A 118 3.759 4.943 -2.088 1.00 0.00 C ATOM 0 H LEU A 118 0.736 1.855 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 118 2.169 1.030 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.092 2.733 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.707 3.759 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 118 2.368 3.858 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.639 3.143 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.627 1.767 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.852 2.423 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.278 5.379 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.474 4.746 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.000 5.639 -2.445 1.00 0.00 H new ATOM 1809 N ALA A 119 0.189 1.260 -0.566 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.760 1.529 0.497 1.00 0.00 C ATOM 1811 C ALA A 119 -0.047 2.269 1.614 1.00 0.00 C ATOM 1812 O ALA A 119 0.552 1.659 2.502 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.384 0.237 1.006 1.00 0.00 C ATOM 0 H ALA A 119 0.656 0.356 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.571 2.149 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.092 0.464 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.905 -0.262 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.602 -0.418 1.391 1.00 0.00 H new ATOM 1819 N MET A 120 -0.087 3.585 1.544 1.00 0.00 N ATOM 1820 CA MET A 120 0.708 4.416 2.425 1.00 0.00 C ATOM 1821 C MET A 120 -0.100 4.831 3.644 1.00 0.00 C ATOM 1822 O MET A 120 -0.918 5.750 3.579 1.00 0.00 O ATOM 1823 CB MET A 120 1.198 5.653 1.668 1.00 0.00 C ATOM 1824 CG MET A 120 2.418 6.317 2.286 1.00 0.00 C ATOM 1825 SD MET A 120 3.915 5.329 2.092 1.00 0.00 S ATOM 1826 CE MET A 120 5.153 6.473 2.690 1.00 0.00 C ATOM 0 H MET A 120 -0.665 4.103 0.882 1.00 0.00 H new ATOM 0 HA MET A 120 1.569 3.841 2.766 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.433 5.368 0.642 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.388 6.380 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.569 7.293 1.825 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.235 6.490 3.347 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.100 5.950 2.818 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.280 7.281 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.834 6.886 3.647 1.00 0.00 H new ATOM 1836 N ILE A 121 0.107 4.127 4.744 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.527 4.477 6.000 1.00 0.00 C ATOM 1838 C ILE A 121 0.472 5.206 6.885 1.00 0.00 C ATOM 1839 O ILE A 121 1.541 4.681 7.205 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.073 3.233 6.739 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.123 2.528 5.876 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -1.657 3.623 8.093 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.695 1.276 6.507 1.00 0.00 C ATOM 0 H ILE A 121 0.712 3.307 4.791 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.375 5.125 5.779 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.249 2.542 6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.937 3.224 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.676 2.268 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.035 2.733 8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -0.881 4.083 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.472 4.332 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.431 0.834 5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.893 0.560 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.173 1.531 7.453 1.00 0.00 H new ATOM 1855 N VAL A 122 0.134 6.422 7.256 1.00 0.00 N ATOM 1856 CA VAL A 122 1.011 7.239 8.073 1.00 0.00 C ATOM 1857 C VAL A 122 0.755 6.975 9.558 1.00 0.00 C ATOM 1858 O VAL A 122 -0.355 6.597 9.944 1.00 0.00 O ATOM 1859 CB VAL A 122 0.808 8.734 7.747 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.756 9.606 8.549 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.994 8.980 6.256 1.00 0.00 C ATOM 0 H VAL A 122 -0.747 6.871 7.004 1.00 0.00 H new ATOM 0 HA VAL A 122 2.044 6.973 7.849 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.211 9.003 8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.588 10.653 8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.576 9.456 9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.786 9.336 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.848 10.039 6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.001 8.686 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.266 8.392 5.697 1.00 0.00 H new ATOM 1871 N GLY A 123 1.793 7.144 10.375 1.00 0.00 N ATOM 1872 CA GLY A 123 1.678 6.899 11.799 1.00 0.00 C ATOM 1873 C GLY A 123 0.633 7.780 12.453 1.00 0.00 C ATOM 1874 O GLY A 123 0.623 8.993 12.249 1.00 0.00 O ATOM 0 H GLY A 123 2.717 7.449 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.423 5.852 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.644 7.071 12.274 1.00 0.00 H new