USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 74 THR OG1 : rot 180:sc= 0.198 USER MOD Set 1.2: A 79 THR OG1 : rot 80:sc= 0.382 USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= -0.65 (180deg=-2.1!) USER MOD Single : A 29 HIS : no HD1:sc= -12.4! C(o=-12!,f=-13!) USER MOD Single : A 32 GLN : amide:sc=-0.00451 K(o=-0.0045,f=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.9!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 49 GLN : amide:sc= -0.706 K(o=-0.71,f=-1.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= 1.24 (180deg=-0.626) USER MOD Single : A 67 THR OG1 : rot 14:sc= 0.628 USER MOD Single : A 68 SER OG : rot 180:sc=-0.00244 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -96:sc= 1.01 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -1.24 USER MOD Single : A 99 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.564 K(o=-0.56,f=-1.9) USER MOD Single : A 103 MET CE :methyl -130:sc= -0.042 (180deg=-0.25) USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0221) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0117) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 26.067 -3.489 8.457 1.00 0.00 N ATOM 229 CA ILE A 18 25.088 -2.550 7.923 1.00 0.00 C ATOM 230 C ILE A 18 25.298 -1.152 8.495 1.00 0.00 C ATOM 231 O ILE A 18 25.745 -0.995 9.630 1.00 0.00 O ATOM 232 CB ILE A 18 23.648 -3.006 8.226 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.355 -4.338 7.533 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.652 -1.943 7.786 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.344 -5.191 8.266 1.00 0.00 C ATOM 0 HA ILE A 18 25.232 -2.523 6.843 1.00 0.00 H new ATOM 0 HB ILE A 18 23.546 -3.148 9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.990 -4.141 6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.285 -4.898 7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.639 -2.280 8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.850 -1.015 8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.752 -1.772 6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.185 -6.120 7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.716 -5.419 9.265 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.401 -4.651 8.345 1.00 0.00 H new ATOM 247 N ALA A 19 24.969 -0.139 7.700 1.00 0.00 N ATOM 248 CA ALA A 19 25.118 1.247 8.128 1.00 0.00 C ATOM 249 C ALA A 19 23.917 1.699 8.952 1.00 0.00 C ATOM 250 O ALA A 19 24.073 2.275 10.028 1.00 0.00 O ATOM 251 CB ALA A 19 25.304 2.155 6.922 1.00 0.00 C ATOM 0 H ALA A 19 24.598 -0.252 6.757 1.00 0.00 H new ATOM 0 HA ALA A 19 26.004 1.313 8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.414 3.187 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.197 1.854 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.434 2.076 6.270 1.00 0.00 H new ATOM 257 N GLU A 20 22.719 1.433 8.439 1.00 0.00 N ATOM 258 CA GLU A 20 21.492 1.815 9.128 1.00 0.00 C ATOM 259 C GLU A 20 20.379 0.808 8.855 1.00 0.00 C ATOM 260 O GLU A 20 20.140 0.402 7.717 1.00 0.00 O ATOM 261 CB GLU A 20 21.049 3.213 8.691 1.00 0.00 C ATOM 262 CG GLU A 20 20.065 3.866 9.646 1.00 0.00 C ATOM 263 CD GLU A 20 19.674 5.266 9.214 1.00 0.00 C ATOM 264 OE1 GLU A 20 20.362 6.226 9.619 1.00 0.00 O ATOM 265 OE2 GLU A 20 18.679 5.400 8.471 1.00 0.00 O ATOM 0 H GLU A 20 22.573 0.955 7.550 1.00 0.00 H new ATOM 0 HA GLU A 20 21.695 1.825 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.928 3.850 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.594 3.148 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.170 3.249 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.504 3.907 10.643 1.00 0.00 H new ATOM 272 N PRO A 21 19.682 0.393 9.923 1.00 0.00 N ATOM 273 CA PRO A 21 18.583 -0.572 9.825 1.00 0.00 C ATOM 274 C PRO A 21 17.358 0.013 9.131 1.00 0.00 C ATOM 275 O PRO A 21 17.109 1.218 9.170 1.00 0.00 O ATOM 276 CB PRO A 21 18.265 -0.897 11.287 1.00 0.00 C ATOM 277 CG PRO A 21 18.717 0.301 12.048 1.00 0.00 C ATOM 278 CD PRO A 21 19.913 0.834 11.309 1.00 0.00 C ATOM 0 HA PRO A 21 18.857 -1.443 9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.200 -1.078 11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.788 -1.795 11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.927 1.050 12.103 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.977 0.037 13.073 1.00 0.00 H new ATOM 0 HD2 PRO A 21 19.978 1.920 11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.844 0.432 11.709 1.00 0.00 H new ATOM 286 N PRO A 22 16.574 -0.858 8.479 1.00 0.00 N ATOM 287 CA PRO A 22 15.361 -0.450 7.764 1.00 0.00 C ATOM 288 C PRO A 22 14.250 -0.009 8.712 1.00 0.00 C ATOM 289 O PRO A 22 14.030 -0.623 9.756 1.00 0.00 O ATOM 290 CB PRO A 22 14.949 -1.718 7.012 1.00 0.00 C ATOM 291 CG PRO A 22 15.528 -2.836 7.808 1.00 0.00 C ATOM 292 CD PRO A 22 16.810 -2.309 8.391 1.00 0.00 C ATOM 0 HA PRO A 22 15.539 0.408 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.864 -1.802 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.335 -1.717 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.842 -3.151 8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.714 -3.707 7.180 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.015 -2.743 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.665 -2.539 7.755 1.00 0.00 H new ATOM 300 N LYS A 23 13.553 1.060 8.341 1.00 0.00 N ATOM 301 CA LYS A 23 12.463 1.583 9.156 1.00 0.00 C ATOM 302 C LYS A 23 11.393 2.231 8.283 1.00 0.00 C ATOM 303 O LYS A 23 11.660 3.205 7.579 1.00 0.00 O ATOM 304 CB LYS A 23 12.998 2.602 10.166 1.00 0.00 C ATOM 305 CG LYS A 23 12.016 2.932 11.276 1.00 0.00 C ATOM 306 CD LYS A 23 12.095 1.922 12.409 1.00 0.00 C ATOM 307 CE LYS A 23 13.221 2.255 13.375 1.00 0.00 C ATOM 308 NZ LYS A 23 14.522 1.685 12.928 1.00 0.00 N ATOM 0 H LYS A 23 13.724 1.581 7.481 1.00 0.00 H new ATOM 0 HA LYS A 23 12.012 0.749 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.916 2.215 10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.260 3.520 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.224 3.930 11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.003 2.950 10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.147 1.902 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.250 0.924 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.311 3.337 13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.976 1.869 14.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.026 1.286 13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.350 0.935 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.100 2.435 12.497 1.00 0.00 H new ATOM 322 N ILE A 24 10.183 1.685 8.336 1.00 0.00 N ATOM 323 CA ILE A 24 9.073 2.212 7.552 1.00 0.00 C ATOM 324 C ILE A 24 8.270 3.232 8.352 1.00 0.00 C ATOM 325 O ILE A 24 7.366 2.873 9.107 1.00 0.00 O ATOM 326 CB ILE A 24 8.130 1.087 7.085 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.864 0.140 6.132 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.898 1.674 6.412 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.191 -1.206 5.981 1.00 0.00 C ATOM 0 H ILE A 24 9.946 0.878 8.913 1.00 0.00 H new ATOM 0 HA ILE A 24 9.507 2.699 6.678 1.00 0.00 H new ATOM 0 HB ILE A 24 7.807 0.518 7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.940 0.611 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.881 -0.010 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.241 0.867 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.367 2.312 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.202 2.264 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.766 -1.825 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.139 -1.698 6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.183 -1.067 5.590 1.00 0.00 H new ATOM 341 N ARG A 25 8.606 4.507 8.181 1.00 0.00 N ATOM 342 CA ARG A 25 7.917 5.580 8.886 1.00 0.00 C ATOM 343 C ARG A 25 6.510 5.781 8.330 1.00 0.00 C ATOM 344 O ARG A 25 6.330 6.374 7.265 1.00 0.00 O ATOM 345 CB ARG A 25 8.710 6.884 8.776 1.00 0.00 C ATOM 346 CG ARG A 25 10.089 6.812 9.412 1.00 0.00 C ATOM 347 CD ARG A 25 10.018 6.996 10.920 1.00 0.00 C ATOM 348 NE ARG A 25 9.531 5.796 11.595 1.00 0.00 N ATOM 349 CZ ARG A 25 9.166 5.768 12.872 1.00 0.00 C ATOM 350 NH1 ARG A 25 9.233 6.869 13.608 1.00 0.00 N ATOM 351 NH2 ARG A 25 8.733 4.638 13.415 1.00 0.00 N ATOM 0 H ARG A 25 9.352 4.821 7.560 1.00 0.00 H new ATOM 0 HA ARG A 25 7.838 5.298 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.817 7.147 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.142 7.686 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.547 5.850 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.730 7.580 8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.007 7.250 11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.361 7.834 11.152 1.00 0.00 H new ATOM 0 HE ARG A 25 9.468 4.932 11.056 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.565 7.740 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.952 6.845 14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.680 3.789 12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.453 4.618 14.396 1.00 0.00 H new ATOM 365 N LEU A 26 5.516 5.282 9.056 1.00 0.00 N ATOM 366 CA LEU A 26 4.124 5.405 8.635 1.00 0.00 C ATOM 367 C LEU A 26 3.487 6.660 9.223 1.00 0.00 C ATOM 368 O LEU A 26 3.482 6.874 10.436 1.00 0.00 O ATOM 369 CB LEU A 26 3.331 4.169 9.061 1.00 0.00 C ATOM 370 CG LEU A 26 3.263 3.031 8.041 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.515 1.840 8.620 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.602 3.505 6.756 1.00 0.00 C ATOM 0 H LEU A 26 5.647 4.788 9.939 1.00 0.00 H new ATOM 0 HA LEU A 26 4.104 5.485 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.769 3.780 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.313 4.479 9.298 1.00 0.00 H new ATOM 0 HG LEU A 26 4.280 2.717 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.476 1.040 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.031 1.485 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.501 2.140 8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.562 2.682 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.590 3.847 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.179 4.326 6.331 1.00 0.00 H new ATOM 384 N PRO A 27 2.933 7.510 8.345 1.00 0.00 N ATOM 385 CA PRO A 27 2.280 8.756 8.755 1.00 0.00 C ATOM 386 C PRO A 27 0.968 8.508 9.492 1.00 0.00 C ATOM 387 O PRO A 27 0.432 7.400 9.469 1.00 0.00 O ATOM 388 CB PRO A 27 2.020 9.473 7.428 1.00 0.00 C ATOM 389 CG PRO A 27 1.949 8.383 6.415 1.00 0.00 C ATOM 390 CD PRO A 27 2.902 7.318 6.886 1.00 0.00 C ATOM 0 HA PRO A 27 2.893 9.328 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.092 10.043 7.462 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.819 10.178 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.935 7.991 6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.230 8.749 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.553 6.320 6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.891 7.439 6.444 1.00 0.00 H new ATOM 398 N ARG A 28 0.455 9.547 10.143 1.00 0.00 N ATOM 399 CA ARG A 28 -0.794 9.441 10.888 1.00 0.00 C ATOM 400 C ARG A 28 -1.987 9.372 9.939 1.00 0.00 C ATOM 401 O ARG A 28 -3.051 8.866 10.299 1.00 0.00 O ATOM 402 CB ARG A 28 -0.950 10.632 11.836 1.00 0.00 C ATOM 403 CG ARG A 28 -2.038 10.440 12.880 1.00 0.00 C ATOM 404 CD ARG A 28 -1.969 11.509 13.958 1.00 0.00 C ATOM 405 NE ARG A 28 -2.946 11.280 15.020 1.00 0.00 N ATOM 406 CZ ARG A 28 -3.138 12.115 16.035 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.424 13.228 16.126 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.046 11.837 16.962 1.00 0.00 N ATOM 0 H ARG A 28 0.885 10.472 10.170 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.763 8.522 11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.001 10.810 12.341 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.173 11.525 11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.015 10.470 12.398 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.937 9.455 13.336 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.967 11.528 14.386 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.143 12.487 13.510 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.512 10.432 14.980 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.725 13.445 15.416 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.574 13.867 16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.597 10.981 16.896 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.193 12.479 17.741 1.00 0.00 H new ATOM 422 N HIS A 29 -1.804 9.885 8.727 1.00 0.00 N ATOM 423 CA HIS A 29 -2.865 9.882 7.727 1.00 0.00 C ATOM 424 C HIS A 29 -3.001 8.505 7.083 1.00 0.00 C ATOM 425 O HIS A 29 -3.940 8.252 6.326 1.00 0.00 O ATOM 426 CB HIS A 29 -2.587 10.934 6.653 1.00 0.00 C ATOM 427 CG HIS A 29 -1.240 10.794 6.012 1.00 0.00 C ATOM 428 ND1 HIS A 29 -0.938 9.798 5.106 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.114 11.531 6.148 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.317 9.928 4.715 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.839 10.973 5.332 1.00 0.00 N ATOM 0 H HIS A 29 -0.930 10.308 8.414 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.802 10.124 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.355 10.867 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.667 11.926 7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.012 12.397 6.781 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.829 9.289 4.011 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.795 11.311 5.220 1.00 0.00 H new ATOM 440 N LEU A 30 -2.059 7.620 7.388 1.00 0.00 N ATOM 441 CA LEU A 30 -2.074 6.268 6.839 1.00 0.00 C ATOM 442 C LEU A 30 -2.449 5.249 7.910 1.00 0.00 C ATOM 443 O LEU A 30 -2.719 4.087 7.608 1.00 0.00 O ATOM 444 CB LEU A 30 -0.706 5.922 6.248 1.00 0.00 C ATOM 445 CG LEU A 30 -0.409 6.496 4.862 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.944 6.015 4.363 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.508 6.115 3.880 1.00 0.00 C ATOM 0 H LEU A 30 -1.276 7.813 8.012 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.825 6.231 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.064 6.271 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.619 4.837 6.196 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.379 7.583 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.138 6.434 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.723 6.339 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.943 4.927 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.280 6.532 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.570 5.029 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.462 6.511 4.230 1.00 0.00 H new ATOM 459 N ARG A 31 -2.467 5.694 9.162 1.00 0.00 N ATOM 460 CA ARG A 31 -2.811 4.821 10.278 1.00 0.00 C ATOM 461 C ARG A 31 -4.324 4.728 10.449 1.00 0.00 C ATOM 462 O ARG A 31 -4.821 4.520 11.556 1.00 0.00 O ATOM 463 CB ARG A 31 -2.171 5.333 11.570 1.00 0.00 C ATOM 464 CG ARG A 31 -0.659 5.183 11.602 1.00 0.00 C ATOM 465 CD ARG A 31 -0.114 5.333 13.014 1.00 0.00 C ATOM 466 NE ARG A 31 -0.073 4.056 13.723 1.00 0.00 N ATOM 467 CZ ARG A 31 0.554 3.879 14.881 1.00 0.00 C ATOM 468 NH1 ARG A 31 1.188 4.891 15.457 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.547 2.687 15.464 1.00 0.00 N ATOM 0 H ARG A 31 -2.247 6.654 9.429 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.426 3.825 10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.426 6.385 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.599 4.795 12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.381 4.207 11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.204 5.932 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.889 5.757 12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.734 6.036 13.569 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.552 3.257 13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.195 5.808 15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.668 4.752 16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.060 1.907 15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.028 2.551 16.353 1.00 0.00 H new ATOM 483 N GLN A 32 -5.050 4.884 9.347 1.00 0.00 N ATOM 484 CA GLN A 32 -6.506 4.819 9.376 1.00 0.00 C ATOM 485 C GLN A 32 -7.068 4.570 7.980 1.00 0.00 C ATOM 486 O GLN A 32 -6.539 5.071 6.987 1.00 0.00 O ATOM 487 CB GLN A 32 -7.085 6.115 9.948 1.00 0.00 C ATOM 488 CG GLN A 32 -6.792 7.339 9.096 1.00 0.00 C ATOM 489 CD GLN A 32 -7.729 8.494 9.393 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.589 8.401 10.270 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.567 9.591 8.663 1.00 0.00 N ATOM 0 H GLN A 32 -4.654 5.056 8.423 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.794 3.986 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.164 6.006 10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.681 6.273 10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.763 7.657 9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.873 7.072 8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.842 9.624 7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.168 10.400 8.818 1.00 0.00 H new ATOM 500 N THR A 33 -8.144 3.792 7.910 1.00 0.00 N ATOM 501 CA THR A 33 -8.777 3.476 6.636 1.00 0.00 C ATOM 502 C THR A 33 -8.759 4.678 5.700 1.00 0.00 C ATOM 503 O THR A 33 -9.501 5.641 5.896 1.00 0.00 O ATOM 504 CB THR A 33 -10.233 3.013 6.832 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.338 2.214 8.015 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.713 2.214 5.630 1.00 0.00 C ATOM 0 H THR A 33 -8.595 3.369 8.721 1.00 0.00 H new ATOM 0 HA THR A 33 -8.202 2.664 6.190 1.00 0.00 H new ATOM 0 HB THR A 33 -10.862 3.898 6.935 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.267 1.925 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.744 1.898 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.660 2.835 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.080 1.336 5.500 1.00 0.00 H new ATOM 514 N TYR A 34 -7.909 4.616 4.681 1.00 0.00 N ATOM 515 CA TYR A 34 -7.794 5.702 3.714 1.00 0.00 C ATOM 516 C TYR A 34 -9.072 5.837 2.893 1.00 0.00 C ATOM 517 O TYR A 34 -9.288 5.095 1.934 1.00 0.00 O ATOM 518 CB TYR A 34 -6.601 5.462 2.787 1.00 0.00 C ATOM 519 CG TYR A 34 -6.051 6.728 2.170 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.632 7.787 2.966 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.949 6.865 0.791 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.130 8.946 2.406 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.446 8.019 0.223 1.00 0.00 C ATOM 524 CZ TYR A 34 -5.038 9.057 1.034 1.00 0.00 C ATOM 525 OH TYR A 34 -4.538 10.209 0.472 1.00 0.00 O ATOM 0 H TYR A 34 -7.289 3.825 4.503 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.638 6.630 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.809 4.967 3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.901 4.780 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.700 7.703 4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.269 6.055 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.811 9.761 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.373 8.108 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.540 10.124 -0.504 1.00 0.00 H new ATOM 535 N ILE A 35 -9.915 6.790 3.275 1.00 0.00 N ATOM 536 CA ILE A 35 -11.171 7.025 2.574 1.00 0.00 C ATOM 537 C ILE A 35 -10.967 7.946 1.375 1.00 0.00 C ATOM 538 O ILE A 35 -10.507 9.078 1.521 1.00 0.00 O ATOM 539 CB ILE A 35 -12.230 7.642 3.506 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.367 6.806 4.781 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.568 7.750 2.791 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.808 5.382 4.525 1.00 0.00 C ATOM 0 H ILE A 35 -9.751 7.412 4.066 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.525 6.054 2.228 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.908 8.645 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.410 6.793 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.085 7.286 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.306 8.188 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.460 8.382 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.899 6.757 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.884 4.849 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.780 5.385 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.078 4.884 3.886 1.00 0.00 H new ATOM 554 N ARG A 36 -11.315 7.453 0.191 1.00 0.00 N ATOM 555 CA ARG A 36 -11.172 8.232 -1.033 1.00 0.00 C ATOM 556 C ARG A 36 -12.342 7.978 -1.979 1.00 0.00 C ATOM 557 O ARG A 36 -13.122 7.046 -1.784 1.00 0.00 O ATOM 558 CB ARG A 36 -9.854 7.887 -1.730 1.00 0.00 C ATOM 559 CG ARG A 36 -8.663 8.669 -1.202 1.00 0.00 C ATOM 560 CD ARG A 36 -8.552 10.032 -1.868 1.00 0.00 C ATOM 561 NE ARG A 36 -9.533 10.978 -1.343 1.00 0.00 N ATOM 562 CZ ARG A 36 -9.361 11.667 -0.221 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.253 11.517 0.491 1.00 0.00 N ATOM 564 NH2 ARG A 36 -10.300 12.510 0.192 1.00 0.00 N ATOM 0 H ARG A 36 -11.698 6.518 0.053 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.168 9.288 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.659 6.821 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.957 8.076 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.759 8.796 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.748 8.102 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.548 10.429 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.693 9.923 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.397 11.117 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.529 10.871 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.124 12.048 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.154 12.629 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.167 13.039 1.054 1.00 0.00 H new ATOM 578 N LYS A 37 -12.459 8.815 -3.004 1.00 0.00 N ATOM 579 CA LYS A 37 -13.532 8.683 -3.982 1.00 0.00 C ATOM 580 C LYS A 37 -13.034 7.994 -5.248 1.00 0.00 C ATOM 581 O LYS A 37 -11.828 7.886 -5.475 1.00 0.00 O ATOM 582 CB LYS A 37 -14.106 10.059 -4.329 1.00 0.00 C ATOM 583 CG LYS A 37 -15.092 10.584 -3.301 1.00 0.00 C ATOM 584 CD LYS A 37 -16.065 11.575 -3.917 1.00 0.00 C ATOM 585 CE LYS A 37 -15.428 12.945 -4.094 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.178 13.784 -5.069 1.00 0.00 N ATOM 0 H LYS A 37 -11.823 9.593 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.317 8.069 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.286 10.770 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.601 10.003 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.645 9.751 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.549 11.064 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.403 11.202 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.947 11.662 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.389 13.454 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.399 12.826 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.712 14.709 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.194 13.310 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.153 13.919 -4.733 1.00 0.00 H new ATOM 600 N VAL A 38 -13.968 7.530 -6.071 1.00 0.00 N ATOM 601 CA VAL A 38 -13.624 6.854 -7.316 1.00 0.00 C ATOM 602 C VAL A 38 -13.211 7.855 -8.389 1.00 0.00 C ATOM 603 O VAL A 38 -13.719 8.974 -8.437 1.00 0.00 O ATOM 604 CB VAL A 38 -14.801 6.010 -7.841 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.577 5.629 -9.297 1.00 0.00 C ATOM 606 CG2 VAL A 38 -14.993 4.771 -6.981 1.00 0.00 C ATOM 0 H VAL A 38 -14.970 7.610 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.784 6.195 -7.096 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.710 6.609 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.418 5.033 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.493 6.533 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.659 5.048 -9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.829 4.187 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.086 4.167 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.202 5.070 -5.954 1.00 0.00 H new ATOM 616 N GLY A 39 -12.286 7.443 -9.251 1.00 0.00 N ATOM 617 CA GLY A 39 -11.821 8.315 -10.313 1.00 0.00 C ATOM 618 C GLY A 39 -10.710 9.241 -9.859 1.00 0.00 C ATOM 619 O GLY A 39 -9.759 9.489 -10.599 1.00 0.00 O ATOM 0 H GLY A 39 -11.851 6.521 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.467 7.709 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.657 8.909 -10.683 1.00 0.00 H new ATOM 623 N GLU A 40 -10.831 9.754 -8.638 1.00 0.00 N ATOM 624 CA GLU A 40 -9.830 10.659 -8.088 1.00 0.00 C ATOM 625 C GLU A 40 -8.439 10.035 -8.151 1.00 0.00 C ATOM 626 O GLU A 40 -8.298 8.816 -8.244 1.00 0.00 O ATOM 627 CB GLU A 40 -10.175 11.018 -6.641 1.00 0.00 C ATOM 628 CG GLU A 40 -11.091 12.223 -6.514 1.00 0.00 C ATOM 629 CD GLU A 40 -10.464 13.493 -7.056 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.263 13.718 -6.799 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.175 14.261 -7.738 1.00 0.00 O ATOM 0 H GLU A 40 -11.612 9.558 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.829 11.568 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.650 10.160 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.253 11.214 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.021 12.025 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.350 12.369 -5.465 1.00 0.00 H new ATOM 638 N GLN A 41 -7.415 10.881 -8.101 1.00 0.00 N ATOM 639 CA GLN A 41 -6.035 10.413 -8.154 1.00 0.00 C ATOM 640 C GLN A 41 -5.510 10.105 -6.756 1.00 0.00 C ATOM 641 O GLN A 41 -5.674 10.902 -5.831 1.00 0.00 O ATOM 642 CB GLN A 41 -5.145 11.459 -8.827 1.00 0.00 C ATOM 643 CG GLN A 41 -5.137 11.366 -10.345 1.00 0.00 C ATOM 644 CD GLN A 41 -4.790 12.685 -11.008 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.625 13.080 -11.057 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.802 13.373 -11.524 1.00 0.00 N ATOM 0 H GLN A 41 -7.515 11.893 -8.024 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.012 9.495 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.482 12.453 -8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.125 11.347 -8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.418 10.608 -10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.117 11.037 -10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.752 13.007 -11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.629 14.267 -11.984 1.00 0.00 H new ATOM 655 N LEU A 42 -4.879 8.946 -6.608 1.00 0.00 N ATOM 656 CA LEU A 42 -4.330 8.532 -5.321 1.00 0.00 C ATOM 657 C LEU A 42 -2.913 9.068 -5.136 1.00 0.00 C ATOM 658 O LEU A 42 -2.158 9.198 -6.098 1.00 0.00 O ATOM 659 CB LEU A 42 -4.329 7.007 -5.211 1.00 0.00 C ATOM 660 CG LEU A 42 -5.678 6.355 -4.905 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.637 4.869 -5.224 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.061 6.580 -3.450 1.00 0.00 C ATOM 0 H LEU A 42 -4.735 8.276 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.961 8.946 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.953 6.595 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.624 6.719 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.436 6.820 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.606 4.422 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.409 4.730 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.867 4.388 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.024 6.109 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.302 6.142 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.133 7.650 -3.254 1.00 0.00 H new ATOM 674 N ASN A 43 -2.560 9.374 -3.892 1.00 0.00 N ATOM 675 CA ASN A 43 -1.233 9.894 -3.581 1.00 0.00 C ATOM 676 C ASN A 43 -0.787 9.448 -2.191 1.00 0.00 C ATOM 677 O ASN A 43 -1.270 9.957 -1.179 1.00 0.00 O ATOM 678 CB ASN A 43 -1.229 11.421 -3.664 1.00 0.00 C ATOM 679 CG ASN A 43 0.175 11.995 -3.691 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.990 11.631 -4.539 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.464 12.895 -2.759 1.00 0.00 N ATOM 0 H ASN A 43 -3.173 9.271 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.532 9.495 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.764 11.735 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.769 11.830 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.393 13.315 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.243 13.167 -2.076 1.00 0.00 H new ATOM 688 N LEU A 44 0.138 8.496 -2.151 1.00 0.00 N ATOM 689 CA LEU A 44 0.651 7.981 -0.885 1.00 0.00 C ATOM 690 C LEU A 44 2.170 8.108 -0.822 1.00 0.00 C ATOM 691 O LEU A 44 2.884 7.560 -1.661 1.00 0.00 O ATOM 692 CB LEU A 44 0.242 6.519 -0.704 1.00 0.00 C ATOM 693 CG LEU A 44 -1.261 6.248 -0.617 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.543 4.759 -0.747 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.826 6.788 0.689 1.00 0.00 C ATOM 0 H LEU A 44 0.548 8.065 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 44 0.221 8.574 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.647 5.944 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.712 6.141 0.204 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.752 6.763 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.617 4.585 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.174 4.401 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.040 4.222 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.896 6.586 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.330 6.302 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.657 7.864 0.741 1.00 0.00 H new ATOM 707 N VAL A 45 2.657 8.832 0.181 1.00 0.00 N ATOM 708 CA VAL A 45 4.091 9.028 0.356 1.00 0.00 C ATOM 709 C VAL A 45 4.573 8.412 1.665 1.00 0.00 C ATOM 710 O VAL A 45 4.473 9.027 2.727 1.00 0.00 O ATOM 711 CB VAL A 45 4.459 10.523 0.339 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.950 10.709 0.579 1.00 0.00 C ATOM 713 CG2 VAL A 45 4.039 11.160 -0.977 1.00 0.00 C ATOM 0 H VAL A 45 2.079 9.292 0.884 1.00 0.00 H new ATOM 0 HA VAL A 45 4.583 8.531 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 45 3.921 11.021 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.191 11.772 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.217 10.290 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.511 10.198 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.307 12.217 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.548 10.661 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.961 11.060 -1.102 1.00 0.00 H new ATOM 723 N VAL A 46 5.098 7.193 1.581 1.00 0.00 N ATOM 724 CA VAL A 46 5.598 6.494 2.758 1.00 0.00 C ATOM 725 C VAL A 46 7.121 6.538 2.818 1.00 0.00 C ATOM 726 O VAL A 46 7.816 5.796 2.124 1.00 0.00 O ATOM 727 CB VAL A 46 5.137 5.024 2.776 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.337 4.418 4.157 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.682 4.917 2.343 1.00 0.00 C ATOM 0 H VAL A 46 5.188 6.670 0.710 1.00 0.00 H new ATOM 0 HA VAL A 46 5.188 7.007 3.628 1.00 0.00 H new ATOM 0 HB VAL A 46 5.746 4.462 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.006 3.380 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.393 4.460 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.756 4.979 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.373 3.872 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.056 5.493 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.573 5.310 1.332 1.00 0.00 H new ATOM 739 N PRO A 47 7.654 7.428 3.668 1.00 0.00 N ATOM 740 CA PRO A 47 9.100 7.590 3.840 1.00 0.00 C ATOM 741 C PRO A 47 9.739 6.395 4.538 1.00 0.00 C ATOM 742 O PRO A 47 9.172 5.836 5.478 1.00 0.00 O ATOM 743 CB PRO A 47 9.216 8.843 4.713 1.00 0.00 C ATOM 744 CG PRO A 47 7.926 8.907 5.455 1.00 0.00 C ATOM 745 CD PRO A 47 6.885 8.345 4.527 1.00 0.00 C ATOM 0 HA PRO A 47 9.617 7.670 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.063 8.773 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.369 9.736 4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.978 8.330 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.687 9.933 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.100 7.821 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.400 9.129 3.945 1.00 0.00 H new ATOM 753 N PHE A 48 10.921 6.006 4.074 1.00 0.00 N ATOM 754 CA PHE A 48 11.637 4.875 4.653 1.00 0.00 C ATOM 755 C PHE A 48 13.080 5.252 4.977 1.00 0.00 C ATOM 756 O PHE A 48 13.730 5.967 4.215 1.00 0.00 O ATOM 757 CB PHE A 48 11.612 3.683 3.695 1.00 0.00 C ATOM 758 CG PHE A 48 12.132 4.005 2.323 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.492 3.983 2.061 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.261 4.330 1.296 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.974 4.280 0.800 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.736 4.628 0.033 1.00 0.00 C ATOM 763 CZ PHE A 48 13.094 4.602 -0.216 1.00 0.00 C ATOM 0 H PHE A 48 11.404 6.458 3.298 1.00 0.00 H new ATOM 0 HA PHE A 48 11.136 4.597 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.206 2.874 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.589 3.317 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.184 3.731 2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.198 4.351 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 48 15.037 4.260 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.046 4.881 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.468 4.833 -1.203 1.00 0.00 H new ATOM 773 N GLN A 49 13.572 4.766 6.111 1.00 0.00 N ATOM 774 CA GLN A 49 14.937 5.053 6.536 1.00 0.00 C ATOM 775 C GLN A 49 15.810 3.806 6.443 1.00 0.00 C ATOM 776 O GLN A 49 15.305 2.684 6.412 1.00 0.00 O ATOM 777 CB GLN A 49 14.945 5.590 7.968 1.00 0.00 C ATOM 778 CG GLN A 49 14.533 7.050 8.073 1.00 0.00 C ATOM 779 CD GLN A 49 15.510 7.983 7.386 1.00 0.00 C ATOM 780 OE1 GLN A 49 15.544 8.071 6.158 1.00 0.00 O ATOM 781 NE2 GLN A 49 16.312 8.688 8.176 1.00 0.00 N ATOM 0 H GLN A 49 13.046 4.172 6.752 1.00 0.00 H new ATOM 0 HA GLN A 49 15.347 5.811 5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.272 4.987 8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.945 5.472 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.544 7.177 7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.451 7.326 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.250 8.584 9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.990 9.333 7.770 1.00 0.00 H new ATOM 790 N GLY A 50 17.123 4.010 6.399 1.00 0.00 N ATOM 791 CA GLY A 50 18.045 2.893 6.309 1.00 0.00 C ATOM 792 C GLY A 50 19.253 3.206 5.448 1.00 0.00 C ATOM 793 O GLY A 50 19.297 4.238 4.779 1.00 0.00 O ATOM 0 H GLY A 50 17.565 4.929 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.378 2.619 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.524 2.028 5.898 1.00 0.00 H new ATOM 797 N LYS A 51 20.237 2.313 5.466 1.00 0.00 N ATOM 798 CA LYS A 51 21.452 2.498 4.681 1.00 0.00 C ATOM 799 C LYS A 51 22.138 1.162 4.419 1.00 0.00 C ATOM 800 O LYS A 51 21.912 0.172 5.116 1.00 0.00 O ATOM 801 CB LYS A 51 22.413 3.443 5.407 1.00 0.00 C ATOM 802 CG LYS A 51 22.183 4.909 5.084 1.00 0.00 C ATOM 803 CD LYS A 51 23.427 5.740 5.349 1.00 0.00 C ATOM 804 CE LYS A 51 23.715 5.854 6.838 1.00 0.00 C ATOM 805 NZ LYS A 51 24.741 6.894 7.126 1.00 0.00 N ATOM 0 H LYS A 51 20.217 1.454 6.016 1.00 0.00 H new ATOM 0 HA LYS A 51 21.173 2.938 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.311 3.296 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.437 3.178 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.892 5.011 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.356 5.289 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.282 5.288 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.298 6.736 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.794 6.096 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.058 4.891 7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.909 6.941 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.628 6.651 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.403 7.818 6.788 1.00 0.00 H new ATOM 819 N PRO A 52 22.998 1.129 3.390 1.00 0.00 N ATOM 820 CA PRO A 52 23.275 2.300 2.552 1.00 0.00 C ATOM 821 C PRO A 52 22.086 2.679 1.674 1.00 0.00 C ATOM 822 O PRO A 52 21.687 3.842 1.622 1.00 0.00 O ATOM 823 CB PRO A 52 24.455 1.847 1.688 1.00 0.00 C ATOM 824 CG PRO A 52 24.340 0.363 1.638 1.00 0.00 C ATOM 825 CD PRO A 52 23.766 -0.053 2.964 1.00 0.00 C ATOM 0 HA PRO A 52 23.482 3.188 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.405 2.282 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.406 2.156 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.695 0.049 0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.313 -0.098 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.129 -0.933 2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.549 -0.303 3.680 1.00 0.00 H new ATOM 833 N ARG A 53 21.525 1.689 0.987 1.00 0.00 N ATOM 834 CA ARG A 53 20.383 1.920 0.111 1.00 0.00 C ATOM 835 C ARG A 53 19.303 0.866 0.338 1.00 0.00 C ATOM 836 O ARG A 53 19.327 -0.219 -0.242 1.00 0.00 O ATOM 837 CB ARG A 53 20.825 1.904 -1.354 1.00 0.00 C ATOM 838 CG ARG A 53 19.859 2.614 -2.289 1.00 0.00 C ATOM 839 CD ARG A 53 18.715 1.702 -2.704 1.00 0.00 C ATOM 840 NE ARG A 53 17.860 2.322 -3.712 1.00 0.00 N ATOM 841 CZ ARG A 53 18.162 2.369 -5.005 1.00 0.00 C ATOM 842 NH1 ARG A 53 19.294 1.836 -5.444 1.00 0.00 N ATOM 843 NH2 ARG A 53 17.332 2.951 -5.861 1.00 0.00 N ATOM 0 H ARG A 53 21.843 0.720 1.020 1.00 0.00 H new ATOM 0 HA ARG A 53 19.968 2.900 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.806 2.373 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.939 0.870 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.459 3.500 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.393 2.956 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.119 0.769 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.118 1.448 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 53 16.982 2.742 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.935 1.389 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.524 1.873 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.461 3.363 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.565 2.986 -6.853 1.00 0.00 H new ATOM 857 N PRO A 54 18.331 1.193 1.203 1.00 0.00 N ATOM 858 CA PRO A 54 17.223 0.288 1.527 1.00 0.00 C ATOM 859 C PRO A 54 16.259 0.111 0.359 1.00 0.00 C ATOM 860 O PRO A 54 15.718 1.085 -0.163 1.00 0.00 O ATOM 861 CB PRO A 54 16.525 0.988 2.696 1.00 0.00 C ATOM 862 CG PRO A 54 16.858 2.430 2.528 1.00 0.00 C ATOM 863 CD PRO A 54 18.238 2.469 1.931 1.00 0.00 C ATOM 0 HA PRO A 54 17.572 -0.718 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.448 0.825 2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.881 0.609 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.137 2.924 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.832 2.951 3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.363 3.322 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.006 2.550 2.700 1.00 0.00 H new ATOM 871 N GLN A 55 16.049 -1.138 -0.044 1.00 0.00 N ATOM 872 CA GLN A 55 15.149 -1.441 -1.151 1.00 0.00 C ATOM 873 C GLN A 55 13.694 -1.231 -0.743 1.00 0.00 C ATOM 874 O GLN A 55 13.348 -1.334 0.434 1.00 0.00 O ATOM 875 CB GLN A 55 15.356 -2.881 -1.624 1.00 0.00 C ATOM 876 CG GLN A 55 15.063 -3.084 -3.101 1.00 0.00 C ATOM 877 CD GLN A 55 15.315 -4.508 -3.556 1.00 0.00 C ATOM 878 OE1 GLN A 55 14.387 -5.228 -3.925 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.577 -4.922 -3.533 1.00 0.00 N ATOM 0 H GLN A 55 16.489 -1.955 0.379 1.00 0.00 H new ATOM 0 HA GLN A 55 15.379 -0.760 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.386 -3.176 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.715 -3.542 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.024 -2.821 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.682 -2.405 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 55 17.315 -4.291 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.808 -5.870 -3.829 1.00 0.00 H new ATOM 888 N VAL A 56 12.847 -0.936 -1.724 1.00 0.00 N ATOM 889 CA VAL A 56 11.429 -0.713 -1.467 1.00 0.00 C ATOM 890 C VAL A 56 10.567 -1.695 -2.252 1.00 0.00 C ATOM 891 O VAL A 56 10.535 -1.666 -3.482 1.00 0.00 O ATOM 892 CB VAL A 56 11.012 0.724 -1.834 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.533 0.940 -1.553 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.860 1.734 -1.075 1.00 0.00 C ATOM 0 H VAL A 56 13.118 -0.846 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 56 11.273 -0.869 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 56 11.179 0.871 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.257 1.961 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.944 0.239 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.336 0.775 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.552 2.744 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.726 1.589 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.910 1.593 -1.332 1.00 0.00 H new ATOM 904 N VAL A 57 9.868 -2.566 -1.531 1.00 0.00 N ATOM 905 CA VAL A 57 9.003 -3.558 -2.159 1.00 0.00 C ATOM 906 C VAL A 57 7.532 -3.204 -1.969 1.00 0.00 C ATOM 907 O VAL A 57 7.114 -2.811 -0.880 1.00 0.00 O ATOM 908 CB VAL A 57 9.258 -4.966 -1.590 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.349 -5.986 -2.259 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.720 -5.352 -1.758 1.00 0.00 C ATOM 0 H VAL A 57 9.884 -2.605 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 57 9.240 -3.556 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 57 9.029 -4.955 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.544 -6.975 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.308 -5.717 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.543 -5.998 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.882 -6.350 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.978 -5.346 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.348 -4.637 -1.227 1.00 0.00 H new ATOM 920 N TRP A 58 6.753 -3.347 -3.035 1.00 0.00 N ATOM 921 CA TRP A 58 5.328 -3.042 -2.986 1.00 0.00 C ATOM 922 C TRP A 58 4.496 -4.265 -3.357 1.00 0.00 C ATOM 923 O TRP A 58 4.705 -4.875 -4.407 1.00 0.00 O ATOM 924 CB TRP A 58 5.000 -1.882 -3.928 1.00 0.00 C ATOM 925 CG TRP A 58 5.229 -0.535 -3.313 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.247 0.331 -3.592 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.423 0.099 -2.314 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.123 1.465 -2.826 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.012 1.348 -2.035 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.261 -0.265 -1.629 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.477 2.231 -1.100 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.731 0.611 -0.702 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.338 1.848 -0.444 1.00 0.00 C ATOM 0 H TRP A 58 7.084 -3.672 -3.943 1.00 0.00 H new ATOM 0 HA TRP A 58 5.079 -2.753 -1.965 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.609 -1.971 -4.828 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.958 -1.959 -4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.034 0.151 -4.309 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.756 2.264 -2.844 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.785 -1.215 -1.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.944 3.184 -0.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.834 0.338 -0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.899 2.512 0.286 1.00 0.00 H new ATOM 944 N THR A 59 3.553 -4.620 -2.491 1.00 0.00 N ATOM 945 CA THR A 59 2.691 -5.771 -2.728 1.00 0.00 C ATOM 946 C THR A 59 1.270 -5.502 -2.246 1.00 0.00 C ATOM 947 O THR A 59 1.057 -4.755 -1.290 1.00 0.00 O ATOM 948 CB THR A 59 3.229 -7.030 -2.024 1.00 0.00 C ATOM 949 OG1 THR A 59 3.711 -6.694 -0.718 1.00 0.00 O ATOM 950 CG2 THR A 59 4.348 -7.667 -2.834 1.00 0.00 C ATOM 0 H THR A 59 3.366 -4.126 -1.618 1.00 0.00 H new ATOM 0 HA THR A 59 2.681 -5.942 -3.805 1.00 0.00 H new ATOM 0 HB THR A 59 2.412 -7.746 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.050 -7.501 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.712 -8.555 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.971 -7.949 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.164 -6.954 -2.950 1.00 0.00 H new ATOM 958 N LYS A 60 0.298 -6.115 -2.913 1.00 0.00 N ATOM 959 CA LYS A 60 -1.104 -5.944 -2.553 1.00 0.00 C ATOM 960 C LYS A 60 -1.711 -7.263 -2.086 1.00 0.00 C ATOM 961 O LYS A 60 -2.353 -7.971 -2.861 1.00 0.00 O ATOM 962 CB LYS A 60 -1.896 -5.400 -3.744 1.00 0.00 C ATOM 963 CG LYS A 60 -3.397 -5.372 -3.515 1.00 0.00 C ATOM 964 CD LYS A 60 -3.844 -4.055 -2.903 1.00 0.00 C ATOM 965 CE LYS A 60 -5.354 -4.007 -2.725 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.068 -4.062 -4.031 1.00 0.00 N ATOM 0 H LYS A 60 0.456 -6.736 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.157 -5.229 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.552 -4.390 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.682 -6.011 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.913 -5.528 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.681 -6.194 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.358 -3.918 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.525 -3.230 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.673 -4.842 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.629 -3.093 -2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.756 -3.284 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.381 -3.969 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.566 -4.971 -4.117 1.00 0.00 H new ATOM 980 N GLY A 61 -1.504 -7.587 -0.813 1.00 0.00 N ATOM 981 CA GLY A 61 -2.038 -8.820 -0.265 1.00 0.00 C ATOM 982 C GLY A 61 -1.041 -9.960 -0.323 1.00 0.00 C ATOM 983 O GLY A 61 -1.131 -10.913 0.450 1.00 0.00 O ATOM 0 H GLY A 61 -0.976 -7.017 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.336 -8.655 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.937 -9.099 -0.815 1.00 0.00 H new ATOM 987 N GLY A 62 -0.086 -9.864 -1.244 1.00 0.00 N ATOM 988 CA GLY A 62 0.917 -10.903 -1.384 1.00 0.00 C ATOM 989 C GLY A 62 1.585 -10.884 -2.744 1.00 0.00 C ATOM 990 O GLY A 62 2.688 -11.405 -2.909 1.00 0.00 O ATOM 0 H GLY A 62 0.010 -9.085 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.674 -10.780 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.453 -11.876 -1.224 1.00 0.00 H new ATOM 994 N ALA A 63 0.915 -10.284 -3.722 1.00 0.00 N ATOM 995 CA ALA A 63 1.451 -10.199 -5.075 1.00 0.00 C ATOM 996 C ALA A 63 1.891 -8.776 -5.403 1.00 0.00 C ATOM 997 O ALA A 63 1.304 -7.797 -4.942 1.00 0.00 O ATOM 998 CB ALA A 63 0.418 -10.680 -6.083 1.00 0.00 C ATOM 0 H ALA A 63 -0.000 -9.849 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 63 2.327 -10.845 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.832 -10.611 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.156 -11.716 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.474 -10.058 -6.014 1.00 0.00 H new ATOM 1004 N PRO A 64 2.949 -8.656 -6.219 1.00 0.00 N ATOM 1005 CA PRO A 64 3.491 -7.357 -6.627 1.00 0.00 C ATOM 1006 C PRO A 64 2.556 -6.609 -7.570 1.00 0.00 C ATOM 1007 O PRO A 64 1.812 -7.221 -8.338 1.00 0.00 O ATOM 1008 CB PRO A 64 4.792 -7.725 -7.344 1.00 0.00 C ATOM 1009 CG PRO A 64 4.577 -9.117 -7.830 1.00 0.00 C ATOM 1010 CD PRO A 64 3.697 -9.781 -6.806 1.00 0.00 C ATOM 0 HA PRO A 64 3.631 -6.689 -5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.995 -7.044 -8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.646 -7.669 -6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.104 -9.119 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.525 -9.646 -7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.030 -10.512 -7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.283 -10.310 -6.054 1.00 0.00 H new ATOM 1018 N LEU A 65 2.598 -5.282 -7.509 1.00 0.00 N ATOM 1019 CA LEU A 65 1.753 -4.450 -8.359 1.00 0.00 C ATOM 1020 C LEU A 65 1.937 -4.811 -9.829 1.00 0.00 C ATOM 1021 O LEU A 65 3.052 -5.081 -10.278 1.00 0.00 O ATOM 1022 CB LEU A 65 2.077 -2.971 -8.140 1.00 0.00 C ATOM 1023 CG LEU A 65 1.990 -2.471 -6.698 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.564 -1.067 -6.584 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.549 -2.501 -6.208 1.00 0.00 C ATOM 0 H LEU A 65 3.208 -4.760 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 65 0.713 -4.632 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.085 -2.782 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.398 -2.377 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 65 2.581 -3.136 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.493 -0.728 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.609 -1.075 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.001 -0.390 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.507 -2.142 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.064 -1.860 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.171 -3.523 -6.251 1.00 0.00 H new ATOM 1037 N ASP A 66 0.838 -4.811 -10.575 1.00 0.00 N ATOM 1038 CA ASP A 66 0.878 -5.135 -11.996 1.00 0.00 C ATOM 1039 C ASP A 66 1.950 -4.317 -12.710 1.00 0.00 C ATOM 1040 O ASP A 66 2.435 -4.703 -13.774 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.487 -4.880 -12.638 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.611 -5.586 -11.906 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -1.937 -5.169 -10.776 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.165 -6.557 -12.465 1.00 0.00 O ATOM 0 H ASP A 66 -0.092 -4.590 -10.219 1.00 0.00 H new ATOM 0 HA ASP A 66 1.126 -6.192 -12.095 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.684 -3.808 -12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.466 -5.215 -13.675 1.00 0.00 H new ATOM 1049 N THR A 67 2.316 -3.185 -12.117 1.00 0.00 N ATOM 1050 CA THR A 67 3.329 -2.312 -12.697 1.00 0.00 C ATOM 1051 C THR A 67 3.098 -2.118 -14.191 1.00 0.00 C ATOM 1052 O THR A 67 4.048 -2.039 -14.970 1.00 0.00 O ATOM 1053 CB THR A 67 4.747 -2.871 -12.475 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.878 -4.143 -13.121 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.045 -3.018 -10.991 1.00 0.00 C ATOM 0 H THR A 67 1.926 -2.851 -11.236 1.00 0.00 H new ATOM 0 HA THR A 67 3.244 -1.350 -12.192 1.00 0.00 H new ATOM 0 HB THR A 67 5.462 -2.169 -12.905 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.131 -4.273 -13.742 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.052 -3.414 -10.860 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.972 -2.044 -10.507 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.325 -3.701 -10.541 1.00 0.00 H new ATOM 1063 N SER A 68 1.831 -2.043 -14.585 1.00 0.00 N ATOM 1064 CA SER A 68 1.476 -1.862 -15.987 1.00 0.00 C ATOM 1065 C SER A 68 0.628 -0.608 -16.176 1.00 0.00 C ATOM 1066 O SER A 68 0.775 0.111 -17.164 1.00 0.00 O ATOM 1067 CB SER A 68 0.719 -3.087 -16.506 1.00 0.00 C ATOM 1068 OG SER A 68 -0.562 -3.185 -15.908 1.00 0.00 O ATOM 0 H SER A 68 1.033 -2.105 -13.953 1.00 0.00 H new ATOM 0 HA SER A 68 2.398 -1.745 -16.557 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.614 -3.022 -17.589 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.293 -3.989 -16.295 1.00 0.00 H new ATOM 0 HG SER A 68 -1.026 -3.974 -16.257 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.261 -0.354 -15.221 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.134 0.812 -15.281 1.00 0.00 C ATOM 1076 C ARG A 69 -0.857 1.760 -14.117 1.00 0.00 C ATOM 1077 O ARG A 69 -1.231 2.932 -14.155 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.601 0.379 -15.261 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.073 -0.111 -13.902 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.412 -0.825 -14.001 1.00 0.00 C ATOM 1081 NE ARG A 69 -4.270 -2.187 -14.510 1.00 0.00 N ATOM 1082 CZ ARG A 69 -5.283 -3.038 -14.626 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -6.506 -2.669 -14.272 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -5.074 -4.260 -15.097 1.00 0.00 N ATOM 0 H ARG A 69 -0.395 -0.940 -14.397 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.930 1.339 -16.213 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.223 1.219 -15.571 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.747 -0.414 -15.994 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.330 -0.787 -13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.160 0.734 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.882 -0.853 -13.018 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.076 -0.261 -14.656 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.342 -2.502 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.671 -1.730 -13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.283 -3.324 -14.362 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.134 -4.547 -15.371 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.853 -4.913 -15.186 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.199 1.243 -13.084 1.00 0.00 N ATOM 1099 CA VAL A 70 0.129 2.043 -11.909 1.00 0.00 C ATOM 1100 C VAL A 70 1.478 2.733 -12.074 1.00 0.00 C ATOM 1101 O VAL A 70 2.416 2.161 -12.631 1.00 0.00 O ATOM 1102 CB VAL A 70 0.157 1.180 -10.634 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.480 2.035 -9.418 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.168 0.457 -10.450 1.00 0.00 C ATOM 0 H VAL A 70 0.117 0.274 -13.037 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.651 2.798 -11.810 1.00 0.00 H new ATOM 0 HB VAL A 70 0.941 0.431 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.495 1.408 -8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.456 2.502 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.280 2.808 -9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.130 -0.148 -9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.972 1.188 -10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.353 -0.188 -11.309 1.00 0.00 H new ATOM 1114 N HIS A 71 1.570 3.965 -11.585 1.00 0.00 N ATOM 1115 CA HIS A 71 2.806 4.734 -11.676 1.00 0.00 C ATOM 1116 C HIS A 71 3.467 4.865 -10.308 1.00 0.00 C ATOM 1117 O HIS A 71 3.088 5.715 -9.502 1.00 0.00 O ATOM 1118 CB HIS A 71 2.527 6.121 -12.255 1.00 0.00 C ATOM 1119 CG HIS A 71 3.750 6.809 -12.779 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.026 6.932 -14.124 1.00 0.00 N ATOM 1121 CD2 HIS A 71 4.771 7.415 -12.130 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.166 7.581 -14.280 1.00 0.00 C ATOM 1123 NE2 HIS A 71 5.638 7.886 -13.085 1.00 0.00 N ATOM 0 H HIS A 71 0.803 4.453 -11.121 1.00 0.00 H new ATOM 0 HA HIS A 71 3.488 4.202 -12.339 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.799 6.029 -13.061 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.073 6.743 -11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.883 7.510 -11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.632 7.821 -15.224 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.506 8.390 -12.901 1.00 0.00 H new ATOM 1132 N VAL A 72 4.457 4.016 -10.050 1.00 0.00 N ATOM 1133 CA VAL A 72 5.171 4.036 -8.779 1.00 0.00 C ATOM 1134 C VAL A 72 6.538 4.694 -8.928 1.00 0.00 C ATOM 1135 O VAL A 72 7.439 4.142 -9.560 1.00 0.00 O ATOM 1136 CB VAL A 72 5.356 2.614 -8.216 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.117 2.656 -6.900 1.00 0.00 C ATOM 1138 CG2 VAL A 72 4.008 1.932 -8.041 1.00 0.00 C ATOM 0 H VAL A 72 4.783 3.305 -10.705 1.00 0.00 H new ATOM 0 HA VAL A 72 4.565 4.617 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 72 5.942 2.033 -8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.238 1.643 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.098 3.103 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.561 3.253 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.157 0.928 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.395 2.510 -7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.505 1.868 -9.006 1.00 0.00 H new ATOM 1148 N ARG A 73 6.686 5.877 -8.341 1.00 0.00 N ATOM 1149 CA ARG A 73 7.944 6.611 -8.408 1.00 0.00 C ATOM 1150 C ARG A 73 8.700 6.517 -7.086 1.00 0.00 C ATOM 1151 O ARG A 73 8.444 7.283 -6.156 1.00 0.00 O ATOM 1152 CB ARG A 73 7.685 8.078 -8.756 1.00 0.00 C ATOM 1153 CG ARG A 73 8.910 8.804 -9.286 1.00 0.00 C ATOM 1154 CD ARG A 73 9.357 8.239 -10.626 1.00 0.00 C ATOM 1155 NE ARG A 73 10.146 9.201 -11.390 1.00 0.00 N ATOM 1156 CZ ARG A 73 9.636 10.297 -11.941 1.00 0.00 C ATOM 1157 NH1 ARG A 73 8.344 10.569 -11.811 1.00 0.00 N ATOM 1158 NH2 ARG A 73 10.418 11.125 -12.622 1.00 0.00 N ATOM 0 H ARG A 73 5.951 6.348 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 73 8.556 6.161 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.891 8.131 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.323 8.595 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.687 9.865 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.724 8.721 -8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.946 7.337 -10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.482 7.946 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 73 11.143 9.022 -11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.740 9.936 -11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.955 11.411 -12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.412 10.920 -12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.025 11.966 -13.044 1.00 0.00 H new ATOM 1172 N THR A 74 9.632 5.573 -7.009 1.00 0.00 N ATOM 1173 CA THR A 74 10.424 5.377 -5.801 1.00 0.00 C ATOM 1174 C THR A 74 11.710 6.193 -5.849 1.00 0.00 C ATOM 1175 O THR A 74 12.472 6.114 -6.813 1.00 0.00 O ATOM 1176 CB THR A 74 10.779 3.892 -5.597 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.585 3.102 -5.568 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.555 3.694 -4.304 1.00 0.00 C ATOM 0 H THR A 74 9.857 4.932 -7.769 1.00 0.00 H new ATOM 0 HA THR A 74 9.813 5.715 -4.964 1.00 0.00 H new ATOM 0 HB THR A 74 11.405 3.573 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.820 2.159 -5.440 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.794 2.638 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.478 4.273 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.950 4.029 -3.462 1.00 0.00 H new ATOM 1186 N SER A 75 11.948 6.977 -4.802 1.00 0.00 N ATOM 1187 CA SER A 75 13.142 7.811 -4.726 1.00 0.00 C ATOM 1188 C SER A 75 14.034 7.378 -3.567 1.00 0.00 C ATOM 1189 O SER A 75 13.553 7.108 -2.466 1.00 0.00 O ATOM 1190 CB SER A 75 12.753 9.281 -4.564 1.00 0.00 C ATOM 1191 OG SER A 75 13.755 10.134 -5.090 1.00 0.00 O ATOM 0 H SER A 75 11.329 7.052 -3.994 1.00 0.00 H new ATOM 0 HA SER A 75 13.699 7.691 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.807 9.469 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.597 9.505 -3.509 1.00 0.00 H new ATOM 0 HG SER A 75 13.482 11.068 -4.976 1.00 0.00 H new ATOM 1197 N ASP A 76 15.336 7.314 -3.822 1.00 0.00 N ATOM 1198 CA ASP A 76 16.297 6.915 -2.800 1.00 0.00 C ATOM 1199 C ASP A 76 15.861 7.406 -1.423 1.00 0.00 C ATOM 1200 O ASP A 76 15.973 6.684 -0.432 1.00 0.00 O ATOM 1201 CB ASP A 76 17.685 7.463 -3.134 1.00 0.00 C ATOM 1202 CG ASP A 76 18.785 6.762 -2.361 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.984 7.099 -1.175 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.447 5.877 -2.942 1.00 0.00 O ATOM 0 H ASP A 76 15.751 7.533 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 76 16.339 5.826 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.869 7.353 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.714 8.530 -2.914 1.00 0.00 H new ATOM 1209 N PHE A 77 15.364 8.637 -1.369 1.00 0.00 N ATOM 1210 CA PHE A 77 14.913 9.225 -0.113 1.00 0.00 C ATOM 1211 C PHE A 77 13.654 8.527 0.392 1.00 0.00 C ATOM 1212 O PHE A 77 13.649 7.937 1.473 1.00 0.00 O ATOM 1213 CB PHE A 77 14.644 10.720 -0.294 1.00 0.00 C ATOM 1214 CG PHE A 77 15.697 11.426 -1.098 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.874 11.850 -0.503 1.00 0.00 C ATOM 1216 CD2 PHE A 77 15.510 11.667 -2.450 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.846 12.499 -1.241 1.00 0.00 C ATOM 1218 CE2 PHE A 77 16.478 12.316 -3.193 1.00 0.00 C ATOM 1219 CZ PHE A 77 17.647 12.734 -2.587 1.00 0.00 C ATOM 0 H PHE A 77 15.263 9.247 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 77 15.702 9.092 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.678 10.851 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.572 11.189 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.034 11.671 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.597 11.344 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.760 12.822 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 77 16.321 12.496 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.404 13.244 -3.165 1.00 0.00 H new ATOM 1229 N ASP A 78 12.587 8.600 -0.396 1.00 0.00 N ATOM 1230 CA ASP A 78 11.321 7.976 -0.030 1.00 0.00 C ATOM 1231 C ASP A 78 10.573 7.497 -1.270 1.00 0.00 C ATOM 1232 O ASP A 78 10.897 7.884 -2.393 1.00 0.00 O ATOM 1233 CB ASP A 78 10.453 8.958 0.758 1.00 0.00 C ATOM 1234 CG ASP A 78 10.259 10.273 0.029 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.210 11.081 0.001 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.156 10.494 -0.514 1.00 0.00 O ATOM 0 H ASP A 78 12.574 9.085 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 78 11.538 7.111 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.480 8.505 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.913 9.148 1.728 1.00 0.00 H new ATOM 1241 N THR A 79 9.569 6.650 -1.059 1.00 0.00 N ATOM 1242 CA THR A 79 8.776 6.116 -2.159 1.00 0.00 C ATOM 1243 C THR A 79 7.463 6.876 -2.309 1.00 0.00 C ATOM 1244 O THR A 79 6.989 7.511 -1.367 1.00 0.00 O ATOM 1245 CB THR A 79 8.470 4.620 -1.956 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.928 4.064 -3.159 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.488 4.419 -0.811 1.00 0.00 C ATOM 0 H THR A 79 9.287 6.320 -0.136 1.00 0.00 H new ATOM 0 HA THR A 79 9.369 6.238 -3.065 1.00 0.00 H new ATOM 0 HB THR A 79 9.402 4.111 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.656 3.867 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.287 3.355 -0.687 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.915 4.818 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.557 4.940 -1.034 1.00 0.00 H new ATOM 1255 N VAL A 80 6.879 6.808 -3.501 1.00 0.00 N ATOM 1256 CA VAL A 80 5.618 7.488 -3.775 1.00 0.00 C ATOM 1257 C VAL A 80 4.692 6.613 -4.611 1.00 0.00 C ATOM 1258 O VAL A 80 5.115 6.003 -5.593 1.00 0.00 O ATOM 1259 CB VAL A 80 5.849 8.822 -4.510 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.524 9.517 -4.784 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.775 9.721 -3.705 1.00 0.00 C ATOM 0 H VAL A 80 7.259 6.289 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 80 5.150 7.689 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 80 6.326 8.611 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.707 10.457 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.898 8.875 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.016 9.717 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.927 10.659 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.328 9.926 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.735 9.223 -3.566 1.00 0.00 H new ATOM 1271 N PHE A 81 3.424 6.556 -4.216 1.00 0.00 N ATOM 1272 CA PHE A 81 2.436 5.755 -4.928 1.00 0.00 C ATOM 1273 C PHE A 81 1.306 6.632 -5.460 1.00 0.00 C ATOM 1274 O PHE A 81 0.764 7.470 -4.739 1.00 0.00 O ATOM 1275 CB PHE A 81 1.867 4.672 -4.009 1.00 0.00 C ATOM 1276 CG PHE A 81 0.605 4.046 -4.530 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.638 3.195 -5.623 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.614 4.309 -3.927 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -0.522 2.617 -6.104 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -1.777 3.734 -4.403 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.731 2.888 -5.494 1.00 0.00 C ATOM 0 H PHE A 81 3.057 7.056 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 81 2.932 5.279 -5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.618 3.894 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.670 5.105 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.581 2.981 -6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.656 4.971 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.483 1.954 -6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.721 3.946 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.639 2.439 -5.869 1.00 0.00 H new ATOM 1291 N PHE A 82 0.955 6.432 -6.726 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.109 7.205 -7.356 1.00 0.00 C ATOM 1293 C PHE A 82 -0.880 6.352 -8.359 1.00 0.00 C ATOM 1294 O PHE A 82 -0.364 5.360 -8.874 1.00 0.00 O ATOM 1295 CB PHE A 82 0.471 8.436 -8.056 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.368 8.925 -9.201 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.377 8.247 -10.410 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.148 10.062 -9.070 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.148 8.695 -11.466 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.921 10.515 -10.123 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.922 9.830 -11.322 1.00 0.00 C ATOM 0 H PHE A 82 1.392 5.741 -7.336 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.798 7.530 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.582 9.240 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.470 8.199 -8.423 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.225 7.358 -10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.152 10.601 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.145 8.158 -12.403 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.524 11.404 -10.008 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.527 10.181 -12.145 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.120 6.745 -8.631 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.964 6.018 -9.572 1.00 0.00 C ATOM 1313 C VAL A 83 -3.873 6.968 -10.342 1.00 0.00 C ATOM 1314 O VAL A 83 -4.488 7.863 -9.762 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.829 4.966 -8.853 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.900 4.425 -9.789 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.961 3.839 -8.315 1.00 0.00 C ATOM 0 H VAL A 83 -2.563 7.563 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.297 5.513 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.326 5.445 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.501 3.683 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.540 5.242 -10.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.426 3.961 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.589 3.105 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.434 3.360 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.236 4.243 -7.608 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.955 6.767 -11.654 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.790 7.607 -12.505 1.00 0.00 C ATOM 1329 C ARG A 84 -6.207 7.707 -11.948 1.00 0.00 C ATOM 1330 O ARG A 84 -6.702 8.801 -11.678 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.828 7.049 -13.928 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.710 7.849 -14.873 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.233 7.733 -16.312 1.00 0.00 C ATOM 1334 NE ARG A 84 -4.178 8.696 -16.618 1.00 0.00 N ATOM 1335 CZ ARG A 84 -3.418 8.633 -17.706 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.595 7.657 -18.586 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -2.479 9.546 -17.915 1.00 0.00 N ATOM 0 H ARG A 84 -3.454 6.030 -12.150 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.355 8.606 -12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.814 7.023 -14.326 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.184 6.019 -13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.738 7.495 -14.800 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.711 8.897 -14.572 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.865 6.723 -16.492 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.074 7.890 -16.987 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.016 9.459 -15.960 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.316 6.953 -18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.010 7.611 -19.421 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.339 10.298 -17.240 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.896 9.496 -18.751 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.853 6.558 -11.779 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.213 6.517 -11.256 1.00 0.00 C ATOM 1353 C GLN A 85 -8.356 5.430 -10.195 1.00 0.00 C ATOM 1354 O GLN A 85 -8.054 4.264 -10.443 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.211 6.274 -12.389 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.029 4.934 -13.083 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.026 4.718 -14.205 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.592 5.671 -14.740 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.245 3.459 -14.569 1.00 0.00 N ATOM 0 H GLN A 85 -6.457 5.644 -11.997 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.426 7.481 -10.794 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.223 6.332 -11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.113 7.072 -13.126 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.017 4.871 -13.484 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.132 4.133 -12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.754 2.699 -14.098 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.904 3.252 -15.319 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.818 5.822 -9.012 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.003 4.881 -7.914 1.00 0.00 C ATOM 1370 C ALA A 86 -10.319 4.124 -8.055 1.00 0.00 C ATOM 1371 O ALA A 86 -11.362 4.581 -7.588 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.951 5.610 -6.580 1.00 0.00 C ATOM 0 H ALA A 86 -9.071 6.785 -8.790 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.191 4.155 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.091 4.895 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.983 6.099 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.742 6.359 -6.544 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.263 2.965 -8.702 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.451 2.144 -8.903 1.00 0.00 C ATOM 1380 C ALA A 87 -11.846 1.426 -7.618 1.00 0.00 C ATOM 1381 O ALA A 87 -10.988 0.997 -6.846 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.214 1.138 -10.021 1.00 0.00 C ATOM 0 H ALA A 87 -9.408 2.573 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.273 2.801 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.109 0.532 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.987 1.669 -10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.376 0.493 -9.758 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.150 1.299 -7.393 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.658 0.635 -6.199 1.00 0.00 C ATOM 1390 C ARG A 88 -12.908 -0.669 -5.942 1.00 0.00 C ATOM 1391 O ARG A 88 -12.781 -1.109 -4.799 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.155 0.355 -6.344 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.036 1.524 -5.935 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.509 1.151 -5.970 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.816 0.047 -5.065 1.00 0.00 N ATOM 1396 CZ ARG A 88 -19.030 -0.475 -4.927 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -20.045 0.005 -5.631 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.229 -1.479 -4.083 1.00 0.00 N ATOM 0 H ARG A 88 -13.873 1.647 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.500 1.299 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.369 0.095 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.414 -0.513 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.766 1.850 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.857 2.367 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.109 2.019 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.789 0.875 -6.987 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.057 -0.345 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.895 0.777 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -20.976 -0.398 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.450 -1.851 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -20.161 -1.879 -3.977 1.00 0.00 H new ATOM 1412 N SER A 89 -12.415 -1.283 -7.012 1.00 0.00 N ATOM 1413 CA SER A 89 -11.682 -2.539 -6.903 1.00 0.00 C ATOM 1414 C SER A 89 -10.398 -2.351 -6.100 1.00 0.00 C ATOM 1415 O SER A 89 -10.160 -3.052 -5.116 1.00 0.00 O ATOM 1416 CB SER A 89 -11.351 -3.084 -8.294 1.00 0.00 C ATOM 1417 OG SER A 89 -12.518 -3.549 -8.950 1.00 0.00 O ATOM 0 H SER A 89 -12.510 -0.931 -7.965 1.00 0.00 H new ATOM 0 HA SER A 89 -12.315 -3.256 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.881 -2.303 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.630 -3.897 -8.208 1.00 0.00 H new ATOM 0 HG SER A 89 -12.280 -3.891 -9.837 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.575 -1.399 -6.527 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.316 -1.117 -5.848 1.00 0.00 C ATOM 1425 C ASP A 90 -8.462 -1.285 -4.339 1.00 0.00 C ATOM 1426 O ASP A 90 -7.555 -1.778 -3.669 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.844 0.302 -6.173 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.703 0.538 -7.663 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.726 0.456 -8.377 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.572 0.807 -8.117 1.00 0.00 O ATOM 0 H ASP A 90 -9.757 -0.810 -7.340 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.572 -1.830 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.552 1.021 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.885 0.483 -5.687 1.00 0.00 H new ATOM 1435 N SER A 91 -9.609 -0.871 -3.811 1.00 0.00 N ATOM 1436 CA SER A 91 -9.873 -0.971 -2.380 1.00 0.00 C ATOM 1437 C SER A 91 -9.353 -2.293 -1.824 1.00 0.00 C ATOM 1438 O SER A 91 -9.907 -3.356 -2.099 1.00 0.00 O ATOM 1439 CB SER A 91 -11.372 -0.843 -2.106 1.00 0.00 C ATOM 1440 OG SER A 91 -12.067 -2.008 -2.517 1.00 0.00 O ATOM 0 H SER A 91 -10.371 -0.463 -4.353 1.00 0.00 H new ATOM 0 HA SER A 91 -9.350 -0.156 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.537 -0.674 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.768 0.025 -2.632 1.00 0.00 H new ATOM 0 HG SER A 91 -12.439 -1.868 -3.413 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.283 -2.218 -1.038 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.705 -3.414 -0.455 1.00 0.00 C ATOM 1448 C GLY A 92 -6.665 -3.100 0.603 1.00 0.00 C ATOM 1449 O GLY A 92 -6.846 -2.187 1.408 1.00 0.00 O ATOM 0 H GLY A 92 -7.806 -1.350 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.497 -4.018 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.248 -4.014 -1.242 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.574 -3.859 0.602 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.503 -3.657 1.570 1.00 0.00 C ATOM 1455 C GLU A 93 -3.140 -3.661 0.884 1.00 0.00 C ATOM 1456 O GLU A 93 -2.776 -4.624 0.208 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.547 -4.744 2.647 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.412 -4.651 3.652 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.168 -5.389 3.198 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.303 -6.527 2.700 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.060 -4.831 3.341 1.00 0.00 O ATOM 0 H GLU A 93 -5.409 -4.619 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.651 -2.684 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.497 -4.680 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.516 -5.722 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.166 -3.603 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.743 -5.059 4.607 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.392 -2.578 1.061 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.071 -2.454 0.457 1.00 0.00 C ATOM 1470 C TYR A 94 0.025 -2.717 1.485 1.00 0.00 C ATOM 1471 O TYR A 94 0.154 -1.991 2.470 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.893 -1.062 -0.150 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.654 -0.862 -1.441 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -3.001 -1.192 -1.535 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -1.027 -0.343 -2.567 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.700 -1.012 -2.713 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.719 -0.158 -3.749 1.00 0.00 C ATOM 1478 CZ TYR A 94 -3.055 -0.495 -3.817 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.748 -0.313 -4.991 1.00 0.00 O ATOM 0 H TYR A 94 -2.678 -1.773 1.618 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.990 -3.200 -0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.219 -0.315 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.167 -0.887 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.510 -1.596 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.019 -0.080 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.746 -1.275 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.217 0.248 -4.615 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.148 0.060 -5.670 1.00 0.00 H new ATOM 1489 N GLU A 95 0.814 -3.760 1.246 1.00 0.00 N ATOM 1490 CA GLU A 95 1.899 -4.119 2.151 1.00 0.00 C ATOM 1491 C GLU A 95 3.239 -3.617 1.621 1.00 0.00 C ATOM 1492 O GLU A 95 3.646 -3.955 0.509 1.00 0.00 O ATOM 1493 CB GLU A 95 1.952 -5.636 2.344 1.00 0.00 C ATOM 1494 CG GLU A 95 2.565 -6.061 3.668 1.00 0.00 C ATOM 1495 CD GLU A 95 3.201 -7.436 3.602 1.00 0.00 C ATOM 1496 OE1 GLU A 95 4.296 -7.556 3.014 1.00 0.00 O ATOM 1497 OE2 GLU A 95 2.603 -8.392 4.139 1.00 0.00 O ATOM 0 H GLU A 95 0.722 -4.370 0.434 1.00 0.00 H new ATOM 0 HA GLU A 95 1.707 -3.644 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.941 -6.038 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.526 -6.077 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.317 -5.331 3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.794 -6.058 4.439 1.00 0.00 H new ATOM 1504 N LEU A 96 3.920 -2.807 2.424 1.00 0.00 N ATOM 1505 CA LEU A 96 5.214 -2.256 2.036 1.00 0.00 C ATOM 1506 C LEU A 96 6.336 -2.857 2.877 1.00 0.00 C ATOM 1507 O LEU A 96 6.343 -2.731 4.102 1.00 0.00 O ATOM 1508 CB LEU A 96 5.208 -0.733 2.187 1.00 0.00 C ATOM 1509 CG LEU A 96 6.174 0.034 1.284 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.139 1.520 1.606 1.00 0.00 C ATOM 1511 CD2 LEU A 96 7.587 -0.512 1.427 1.00 0.00 C ATOM 0 H LEU A 96 3.598 -2.517 3.347 1.00 0.00 H new ATOM 0 HA LEU A 96 5.391 -2.511 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.198 -0.373 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.440 -0.490 3.224 1.00 0.00 H new ATOM 0 HG LEU A 96 5.858 -0.100 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.833 2.050 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.130 1.902 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.429 1.674 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.260 0.046 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.914 -0.409 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.601 -1.565 1.145 1.00 0.00 H new ATOM 1523 N SER A 97 7.283 -3.509 2.211 1.00 0.00 N ATOM 1524 CA SER A 97 8.409 -4.132 2.897 1.00 0.00 C ATOM 1525 C SER A 97 9.734 -3.580 2.377 1.00 0.00 C ATOM 1526 O SER A 97 9.917 -3.407 1.173 1.00 0.00 O ATOM 1527 CB SER A 97 8.369 -5.650 2.714 1.00 0.00 C ATOM 1528 OG SER A 97 7.138 -6.186 3.166 1.00 0.00 O ATOM 0 H SER A 97 7.293 -3.620 1.197 1.00 0.00 H new ATOM 0 HA SER A 97 8.330 -3.900 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.512 -5.896 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.192 -6.107 3.263 1.00 0.00 H new ATOM 0 HG SER A 97 7.137 -7.157 3.037 1.00 0.00 H new ATOM 1534 N VAL A 98 10.655 -3.306 3.296 1.00 0.00 N ATOM 1535 CA VAL A 98 11.963 -2.776 2.933 1.00 0.00 C ATOM 1536 C VAL A 98 13.034 -3.858 3.003 1.00 0.00 C ATOM 1537 O VAL A 98 13.241 -4.472 4.049 1.00 0.00 O ATOM 1538 CB VAL A 98 12.369 -1.607 3.850 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.863 -1.341 3.747 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.572 -0.358 3.504 1.00 0.00 C ATOM 0 H VAL A 98 10.519 -3.443 4.298 1.00 0.00 H new ATOM 0 HA VAL A 98 11.884 -2.414 1.908 1.00 0.00 H new ATOM 0 HB VAL A 98 12.144 -1.881 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.131 -0.512 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.413 -2.233 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.117 -1.087 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.871 0.458 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.765 -0.079 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.508 -0.557 3.634 1.00 0.00 H new ATOM 1550 N GLN A 99 13.712 -4.086 1.883 1.00 0.00 N ATOM 1551 CA GLN A 99 14.763 -5.095 1.818 1.00 0.00 C ATOM 1552 C GLN A 99 16.128 -4.479 2.103 1.00 0.00 C ATOM 1553 O GLN A 99 16.450 -3.401 1.601 1.00 0.00 O ATOM 1554 CB GLN A 99 14.770 -5.767 0.444 1.00 0.00 C ATOM 1555 CG GLN A 99 15.264 -7.204 0.472 1.00 0.00 C ATOM 1556 CD GLN A 99 14.868 -7.981 -0.768 1.00 0.00 C ATOM 1557 OE1 GLN A 99 15.721 -8.502 -1.487 1.00 0.00 O ATOM 1558 NE2 GLN A 99 13.568 -8.064 -1.026 1.00 0.00 N ATOM 0 H GLN A 99 13.553 -3.586 1.008 1.00 0.00 H new ATOM 0 HA GLN A 99 14.558 -5.846 2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.760 -5.747 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.400 -5.188 -0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.350 -7.209 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.864 -7.705 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.895 -7.617 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.243 -8.575 -1.847 1.00 0.00 H new ATOM 1567 N ILE A 100 16.926 -5.168 2.911 1.00 0.00 N ATOM 1568 CA ILE A 100 18.257 -4.688 3.262 1.00 0.00 C ATOM 1569 C ILE A 100 19.281 -5.817 3.207 1.00 0.00 C ATOM 1570 O ILE A 100 18.924 -6.994 3.262 1.00 0.00 O ATOM 1571 CB ILE A 100 18.277 -4.060 4.668 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.144 -3.041 4.811 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.623 -3.404 4.936 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.402 -1.744 4.077 1.00 0.00 C ATOM 0 H ILE A 100 16.674 -6.061 3.335 1.00 0.00 H new ATOM 0 HA ILE A 100 18.520 -3.926 2.529 1.00 0.00 H new ATOM 0 HB ILE A 100 18.126 -4.849 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.220 -3.483 4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 100 16.991 -2.826 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.621 -2.965 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.412 -4.153 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.801 -2.624 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.558 -1.070 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.308 -1.280 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.526 -1.946 3.013 1.00 0.00 H new ATOM 1586 N GLU A 101 20.554 -5.450 3.102 1.00 0.00 N ATOM 1587 CA GLU A 101 21.629 -6.433 3.041 1.00 0.00 C ATOM 1588 C GLU A 101 21.288 -7.665 3.875 1.00 0.00 C ATOM 1589 O GLU A 101 21.084 -8.753 3.340 1.00 0.00 O ATOM 1590 CB GLU A 101 22.941 -5.818 3.533 1.00 0.00 C ATOM 1591 CG GLU A 101 23.666 -5.004 2.474 1.00 0.00 C ATOM 1592 CD GLU A 101 23.700 -5.699 1.127 1.00 0.00 C ATOM 1593 OE1 GLU A 101 24.104 -6.879 1.078 1.00 0.00 O ATOM 1594 OE2 GLU A 101 23.322 -5.062 0.121 1.00 0.00 O ATOM 0 H GLU A 101 20.866 -4.480 3.057 1.00 0.00 H new ATOM 0 HA GLU A 101 21.747 -6.740 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.734 -5.179 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.599 -6.615 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.177 -4.036 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.686 -4.811 2.805 1.00 0.00 H new ATOM 1601 N ASN A 102 21.229 -7.483 5.191 1.00 0.00 N ATOM 1602 CA ASN A 102 20.914 -8.579 6.100 1.00 0.00 C ATOM 1603 C ASN A 102 19.733 -8.220 6.996 1.00 0.00 C ATOM 1604 O ASN A 102 19.525 -8.834 8.042 1.00 0.00 O ATOM 1605 CB ASN A 102 22.133 -8.924 6.958 1.00 0.00 C ATOM 1606 CG ASN A 102 21.935 -10.195 7.760 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.087 -11.025 7.430 1.00 0.00 O ATOM 1608 ND2 ASN A 102 22.718 -10.354 8.821 1.00 0.00 N ATOM 0 H ASN A 102 21.395 -6.588 5.651 1.00 0.00 H new ATOM 0 HA ASN A 102 20.642 -9.448 5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.006 -9.036 6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.341 -8.098 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.630 -11.190 9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.407 -9.640 9.058 1.00 0.00 H new ATOM 1615 N MET A 103 18.962 -7.221 6.578 1.00 0.00 N ATOM 1616 CA MET A 103 17.800 -6.781 7.342 1.00 0.00 C ATOM 1617 C MET A 103 16.582 -6.627 6.438 1.00 0.00 C ATOM 1618 O MET A 103 16.711 -6.511 5.219 1.00 0.00 O ATOM 1619 CB MET A 103 18.098 -5.456 8.047 1.00 0.00 C ATOM 1620 CG MET A 103 19.023 -5.600 9.245 1.00 0.00 C ATOM 1621 SD MET A 103 18.741 -4.331 10.495 1.00 0.00 S ATOM 1622 CE MET A 103 17.189 -4.884 11.195 1.00 0.00 C ATOM 0 H MET A 103 19.121 -6.701 5.715 1.00 0.00 H new ATOM 0 HA MET A 103 17.580 -7.541 8.092 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.547 -4.766 7.332 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.159 -5.009 8.375 1.00 0.00 H new ATOM 0 HG2 MET A 103 18.881 -6.584 9.693 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.058 -5.549 8.908 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.487 -4.051 11.226 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.777 -5.684 10.580 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.357 -5.254 12.206 1.00 0.00 H new ATOM 1632 N LYS A 104 15.398 -6.627 7.042 1.00 0.00 N ATOM 1633 CA LYS A 104 14.156 -6.486 6.292 1.00 0.00 C ATOM 1634 C LYS A 104 13.052 -5.909 7.172 1.00 0.00 C ATOM 1635 O LYS A 104 13.049 -6.102 8.388 1.00 0.00 O ATOM 1636 CB LYS A 104 13.719 -7.841 5.731 1.00 0.00 C ATOM 1637 CG LYS A 104 12.640 -7.738 4.666 1.00 0.00 C ATOM 1638 CD LYS A 104 11.249 -7.809 5.273 1.00 0.00 C ATOM 1639 CE LYS A 104 10.770 -9.247 5.403 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.333 -9.806 4.094 1.00 0.00 N ATOM 0 H LYS A 104 15.273 -6.723 8.050 1.00 0.00 H new ATOM 0 HA LYS A 104 14.335 -5.798 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.587 -8.347 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.353 -8.463 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.753 -6.800 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.764 -8.544 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.255 -7.336 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.551 -7.247 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.572 -9.862 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.943 -9.292 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.889 -10.734 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.647 -9.161 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.158 -9.913 3.470 1.00 0.00 H new ATOM 1654 N ASP A 105 12.116 -5.201 6.551 1.00 0.00 N ATOM 1655 CA ASP A 105 11.004 -4.597 7.277 1.00 0.00 C ATOM 1656 C ASP A 105 9.691 -4.803 6.530 1.00 0.00 C ATOM 1657 O ASP A 105 9.682 -5.070 5.328 1.00 0.00 O ATOM 1658 CB ASP A 105 11.257 -3.103 7.489 1.00 0.00 C ATOM 1659 CG ASP A 105 12.012 -2.820 8.772 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.698 -3.736 9.272 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.919 -1.681 9.276 1.00 0.00 O ATOM 0 H ASP A 105 12.105 -5.031 5.545 1.00 0.00 H new ATOM 0 HA ASP A 105 10.928 -5.086 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.822 -2.710 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.304 -2.575 7.508 1.00 0.00 H new ATOM 1666 N THR A 106 8.580 -4.678 7.250 1.00 0.00 N ATOM 1667 CA THR A 106 7.260 -4.852 6.656 1.00 0.00 C ATOM 1668 C THR A 106 6.285 -3.797 7.165 1.00 0.00 C ATOM 1669 O THR A 106 6.516 -3.172 8.199 1.00 0.00 O ATOM 1670 CB THR A 106 6.689 -6.251 6.958 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.759 -6.516 8.363 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.453 -7.323 6.196 1.00 0.00 C ATOM 0 H THR A 106 8.568 -4.457 8.246 1.00 0.00 H new ATOM 0 HA THR A 106 7.381 -4.741 5.578 1.00 0.00 H new ATOM 0 HB THR A 106 5.648 -6.271 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.393 -7.406 8.547 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.032 -8.302 6.425 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.373 -7.135 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.502 -7.301 6.491 1.00 0.00 H new ATOM 1680 N ALA A 107 5.194 -3.604 6.431 1.00 0.00 N ATOM 1681 CA ALA A 107 4.182 -2.626 6.809 1.00 0.00 C ATOM 1682 C ALA A 107 2.872 -2.878 6.071 1.00 0.00 C ATOM 1683 O ALA A 107 2.864 -3.418 4.964 1.00 0.00 O ATOM 1684 CB ALA A 107 4.682 -1.216 6.536 1.00 0.00 C ATOM 0 H ALA A 107 4.989 -4.112 5.571 1.00 0.00 H new ATOM 0 HA ALA A 107 3.992 -2.731 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.916 -0.496 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.587 -1.033 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.902 -1.107 5.474 1.00 0.00 H new ATOM 1690 N THR A 108 1.763 -2.483 6.689 1.00 0.00 N ATOM 1691 CA THR A 108 0.447 -2.667 6.091 1.00 0.00 C ATOM 1692 C THR A 108 -0.245 -1.328 5.860 1.00 0.00 C ATOM 1693 O THR A 108 -0.027 -0.371 6.603 1.00 0.00 O ATOM 1694 CB THR A 108 -0.453 -3.551 6.975 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.169 -4.823 7.190 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.816 -3.750 6.330 1.00 0.00 C ATOM 0 H THR A 108 1.751 -2.033 7.604 1.00 0.00 H new ATOM 0 HA THR A 108 0.602 -3.162 5.133 1.00 0.00 H new ATOM 0 HB THR A 108 -0.591 -3.048 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.409 -5.378 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.434 -4.377 6.972 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.299 -2.782 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.693 -4.233 5.361 1.00 0.00 H new ATOM 1704 N ILE A 109 -1.079 -1.268 4.828 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.803 -0.047 4.501 1.00 0.00 C ATOM 1706 C ILE A 109 -3.229 -0.355 4.057 1.00 0.00 C ATOM 1707 O ILE A 109 -3.446 -1.141 3.135 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.092 0.750 3.392 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.323 1.130 3.833 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.894 1.993 3.036 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.277 1.349 2.679 1.00 0.00 C ATOM 0 H ILE A 109 -1.270 -2.052 4.204 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.830 0.556 5.409 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.019 0.122 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.276 2.039 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.718 0.344 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.379 2.546 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.883 1.699 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.996 2.625 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.261 1.615 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.353 0.434 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.905 2.156 2.047 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.197 0.271 4.718 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.603 0.064 4.390 1.00 0.00 C ATOM 1725 C ARG A 110 -6.103 1.142 3.434 1.00 0.00 C ATOM 1726 O ARG A 110 -5.944 2.336 3.691 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.450 0.064 5.664 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.188 -1.127 6.571 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.647 -0.855 7.995 1.00 0.00 C ATOM 1730 NE ARG A 110 -8.049 -1.212 8.195 1.00 0.00 N ATOM 1731 CZ ARG A 110 -8.631 -1.264 9.388 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -7.936 -0.983 10.481 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -9.912 -1.596 9.488 1.00 0.00 N ATOM 0 H ARG A 110 -4.034 0.925 5.483 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.697 -0.904 3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.256 0.982 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.505 0.075 5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.707 -2.003 6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.123 -1.360 6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.026 -1.420 8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.505 0.201 8.226 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.612 -1.433 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.952 -0.726 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.385 -1.024 11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.450 -1.811 8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.358 -1.636 10.404 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.706 0.713 2.330 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.229 1.642 1.336 1.00 0.00 C ATOM 1749 C ILE A 111 -8.698 1.359 1.039 1.00 0.00 C ATOM 1750 O ILE A 111 -9.071 0.230 0.720 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.428 1.571 0.023 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.945 1.838 0.289 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.978 2.567 -0.987 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.073 1.682 -0.937 1.00 0.00 C ATOM 0 H ILE A 111 -6.844 -0.271 2.102 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.132 2.643 1.757 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.528 0.568 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.831 2.849 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.595 1.156 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.402 2.505 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.022 2.335 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.905 3.576 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.035 1.886 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.157 0.664 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.397 2.384 -1.706 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.527 2.393 1.143 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.955 2.256 0.884 1.00 0.00 C ATOM 1768 C ARG A 112 -11.410 3.238 -0.191 1.00 0.00 C ATOM 1769 O ARG A 112 -11.090 4.426 -0.137 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.752 2.485 2.170 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.256 2.370 1.982 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.986 2.384 3.316 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.301 1.754 3.227 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.286 1.985 4.088 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -16.107 2.828 5.095 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.455 1.374 3.940 1.00 0.00 N ATOM 0 H ARG A 112 -9.234 3.334 1.405 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.138 1.243 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.432 1.762 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.518 3.475 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.611 3.194 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.488 1.448 1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.385 1.865 4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.099 3.413 3.656 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.472 1.101 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.211 3.302 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.865 3.003 5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.598 0.727 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.211 1.552 4.601 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.157 2.734 -1.168 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.656 3.567 -2.256 1.00 0.00 C ATOM 1792 C VAL A 113 -14.179 3.635 -2.242 1.00 0.00 C ATOM 1793 O VAL A 113 -14.857 2.608 -2.187 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.189 3.041 -3.626 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.873 3.802 -4.752 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.676 3.139 -3.746 1.00 0.00 C ATOM 0 H VAL A 113 -12.430 1.753 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.249 4.566 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.469 1.991 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.531 3.416 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.953 3.674 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.626 4.861 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.363 2.763 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.370 4.180 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.209 2.544 -2.961 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.713 4.851 -2.291 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.157 5.054 -2.286 1.00 0.00 C ATOM 1808 C VAL A 114 -16.618 5.756 -3.558 1.00 0.00 C ATOM 1809 O VAL A 114 -15.982 6.702 -4.022 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.603 5.881 -1.066 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.267 5.151 0.226 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.959 7.259 -1.092 1.00 0.00 C ATOM 0 H VAL A 114 -14.167 5.711 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.615 4.066 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.684 6.010 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.590 5.751 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.780 4.189 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -15.191 4.989 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.285 7.830 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.874 7.154 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.255 7.782 -2.001 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.729 5.287 -4.118 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.275 5.870 -5.337 1.00 0.00 C ATOM 1824 C GLU A 115 -18.894 7.236 -5.056 1.00 0.00 C ATOM 1825 O GLU A 115 -19.674 7.396 -4.118 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.323 4.939 -5.950 1.00 0.00 C ATOM 1827 CG GLU A 115 -20.110 4.147 -4.919 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.426 3.627 -5.465 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -22.191 4.432 -6.035 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.690 2.415 -5.321 1.00 0.00 O ATOM 0 H GLU A 115 -18.268 4.505 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.457 5.999 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.016 5.530 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.828 4.245 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.507 3.307 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.304 4.778 -4.052 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.540 8.220 -5.877 1.00 0.00 N ATOM 1838 CA LYS A 116 -19.060 9.573 -5.720 1.00 0.00 C ATOM 1839 C LYS A 116 -20.581 9.562 -5.609 1.00 0.00 C ATOM 1840 O LYS A 116 -21.250 8.723 -6.211 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.630 10.447 -6.900 1.00 0.00 C ATOM 1842 CG LYS A 116 -19.163 9.966 -8.238 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.614 10.796 -9.387 1.00 0.00 C ATOM 1844 CE LYS A 116 -18.657 10.028 -10.700 1.00 0.00 C ATOM 1845 NZ LYS A 116 -20.050 9.680 -11.093 1.00 0.00 N ATOM 0 H LYS A 116 -17.895 8.105 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.649 9.989 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.971 11.468 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.541 10.477 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.895 8.920 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.252 10.019 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.193 11.715 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.587 11.088 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.197 10.626 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.067 9.116 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.044 9.233 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.452 9.020 -10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.628 10.544 -11.124 1.00 0.00 H new