USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 41 CYS SG : rot 169:sc= -0.266 USER MOD Set 1.2: A 90 CYS SG : rot -171:sc= 0.0269 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 120:sc= -0.027 USER MOD Single : A 28 ASN :FLIP amide:sc=-0.000106 F(o=-0.73,f=-0.00011) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 175:sc= 0 (180deg=-0.0289) USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= 0.558 (180deg=0.00322) USER MOD Single : A 55 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.015) USER MOD Single : A 57 THR OG1 : rot -71:sc= 0.0534 USER MOD Single : A 64 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.4) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.496 K(o=0.5,f=-1.1) USER MOD Single : A 73 CYS SG : rot 130:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0586 K(o=-0.059,f=-1.6) USER MOD Single : A 88 TYR OH : rot -11:sc= 1.07 USER MOD Single : A 91 MET CE :methyl -168:sc= -0.769 (180deg=-1.05) USER MOD Single : A 92 CYS SG : rot -54:sc= -2.11! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 140:sc= -0.201 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 157:sc= -0.0347 (180deg=-0.298) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.791 17.784 -3.620 1.00 0.00 N ATOM 259 CA ILE A 20 -1.865 16.721 -3.988 1.00 0.00 C ATOM 260 C ILE A 20 -2.536 15.697 -4.897 1.00 0.00 C ATOM 261 O ILE A 20 -3.705 15.357 -4.712 1.00 0.00 O ATOM 262 CB ILE A 20 -1.311 16.001 -2.744 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.652 17.006 -1.797 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.320 14.922 -3.153 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.336 16.434 -0.433 1.00 0.00 C ATOM 0 HA ILE A 20 -1.040 17.193 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.140 15.525 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.269 17.371 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.311 17.866 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.062 14.423 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.819 14.193 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.508 15.376 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.129 17.202 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.257 16.095 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.348 15.592 -0.541 1.00 0.00 H new ATOM 277 N LYS A 21 -1.788 15.207 -5.880 1.00 0.00 N ATOM 278 CA LYS A 21 -2.308 14.219 -6.818 1.00 0.00 C ATOM 279 C LYS A 21 -1.281 13.121 -7.076 1.00 0.00 C ATOM 280 O LYS A 21 -0.211 13.102 -6.466 1.00 0.00 O ATOM 281 CB LYS A 21 -2.694 14.891 -8.137 1.00 0.00 C ATOM 282 CG LYS A 21 -3.596 16.101 -7.962 1.00 0.00 C ATOM 283 CD LYS A 21 -3.789 16.846 -9.272 1.00 0.00 C ATOM 284 CE LYS A 21 -4.759 18.007 -9.115 1.00 0.00 C ATOM 285 NZ LYS A 21 -5.360 18.408 -10.417 1.00 0.00 N ATOM 0 H LYS A 21 -0.819 15.478 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.195 13.766 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.787 15.197 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.197 14.162 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.565 15.781 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.165 16.773 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.827 17.219 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.162 16.159 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.551 17.727 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.238 18.859 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.015 19.202 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.607 18.700 -11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.879 17.603 -10.822 1.00 0.00 H new ATOM 299 N PHE A 22 -1.612 12.209 -7.984 1.00 0.00 N ATOM 300 CA PHE A 22 -0.719 11.107 -8.323 1.00 0.00 C ATOM 301 C PHE A 22 -0.086 11.323 -9.695 1.00 0.00 C ATOM 302 O PHE A 22 -0.784 11.414 -10.705 1.00 0.00 O ATOM 303 CB PHE A 22 -1.479 9.780 -8.302 1.00 0.00 C ATOM 304 CG PHE A 22 -1.453 9.095 -6.965 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.374 9.427 -5.984 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.509 8.120 -6.689 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.352 8.799 -4.753 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.482 7.488 -5.460 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.406 7.828 -4.491 1.00 0.00 C ATOM 0 H PHE A 22 -2.493 12.211 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 22 0.075 11.073 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.515 9.959 -8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.051 9.114 -9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.117 10.185 -6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.215 7.850 -7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.074 9.068 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.260 6.730 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.388 7.335 -3.530 1.00 0.00 H new ATOM 319 N THR A 23 1.240 11.403 -9.722 1.00 0.00 N ATOM 320 CA THR A 23 1.968 11.610 -10.968 1.00 0.00 C ATOM 321 C THR A 23 2.136 10.300 -11.730 1.00 0.00 C ATOM 322 O THR A 23 2.192 10.289 -12.959 1.00 0.00 O ATOM 323 CB THR A 23 3.357 12.225 -10.713 1.00 0.00 C ATOM 324 OG1 THR A 23 4.189 11.285 -10.023 1.00 0.00 O ATOM 325 CG2 THR A 23 3.241 13.503 -9.896 1.00 0.00 C ATOM 0 H THR A 23 1.832 11.328 -8.895 1.00 0.00 H new ATOM 0 HA THR A 23 1.378 12.303 -11.567 1.00 0.00 H new ATOM 0 HB THR A 23 3.805 12.468 -11.676 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.980 11.087 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.234 13.919 -9.729 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.631 14.226 -10.437 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.774 13.280 -8.936 1.00 0.00 H new ATOM 333 N GLU A 24 2.217 9.197 -10.991 1.00 0.00 N ATOM 334 CA GLU A 24 2.380 7.882 -11.599 1.00 0.00 C ATOM 335 C GLU A 24 1.832 6.789 -10.685 1.00 0.00 C ATOM 336 O GLU A 24 2.581 6.147 -9.949 1.00 0.00 O ATOM 337 CB GLU A 24 3.855 7.615 -11.904 1.00 0.00 C ATOM 338 CG GLU A 24 4.317 8.197 -13.229 1.00 0.00 C ATOM 339 CD GLU A 24 5.599 7.560 -13.730 1.00 0.00 C ATOM 340 OE1 GLU A 24 5.874 6.402 -13.352 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.326 8.220 -14.502 1.00 0.00 O ATOM 0 H GLU A 24 2.172 9.189 -9.972 1.00 0.00 H new ATOM 0 HA GLU A 24 1.816 7.869 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.464 8.031 -11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.027 6.539 -11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.533 8.062 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.469 9.271 -13.117 1.00 0.00 H new ATOM 348 N GLY A 25 0.520 6.584 -10.737 1.00 0.00 N ATOM 349 CA GLY A 25 -0.106 5.570 -9.909 1.00 0.00 C ATOM 350 C GLY A 25 0.480 4.191 -10.139 1.00 0.00 C ATOM 351 O GLY A 25 1.303 4.000 -11.036 1.00 0.00 O ATOM 0 H GLY A 25 -0.121 7.102 -11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.010 5.840 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.176 5.546 -10.116 1.00 0.00 H new ATOM 355 N LEU A 26 0.058 3.228 -9.328 1.00 0.00 N ATOM 356 CA LEU A 26 0.548 1.859 -9.446 1.00 0.00 C ATOM 357 C LEU A 26 0.279 1.302 -10.840 1.00 0.00 C ATOM 358 O LEU A 26 -0.622 1.764 -11.541 1.00 0.00 O ATOM 359 CB LEU A 26 -0.112 0.967 -8.392 1.00 0.00 C ATOM 360 CG LEU A 26 0.037 1.421 -6.940 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.974 0.712 -6.053 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.453 1.169 -6.445 1.00 0.00 C ATOM 0 H LEU A 26 -0.622 3.369 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 26 1.625 1.870 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.175 0.893 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.304 -0.037 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.157 2.492 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.853 1.048 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.983 0.944 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.812 -0.365 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.541 1.498 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.676 0.104 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.159 1.724 -7.063 1.00 0.00 H new ATOM 374 N ARG A 27 1.065 0.306 -11.236 1.00 0.00 N ATOM 375 CA ARG A 27 0.911 -0.314 -12.546 1.00 0.00 C ATOM 376 C ARG A 27 0.805 -1.831 -12.421 1.00 0.00 C ATOM 377 O ARG A 27 1.265 -2.416 -11.441 1.00 0.00 O ATOM 378 CB ARG A 27 2.090 0.053 -13.449 1.00 0.00 C ATOM 379 CG ARG A 27 3.437 -0.391 -12.903 1.00 0.00 C ATOM 380 CD ARG A 27 4.586 0.199 -13.706 1.00 0.00 C ATOM 381 NE ARG A 27 5.691 -0.745 -13.854 1.00 0.00 N ATOM 382 CZ ARG A 27 6.557 -1.020 -12.884 1.00 0.00 C ATOM 383 NH1 ARG A 27 6.445 -0.428 -11.703 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.536 -1.890 -13.096 1.00 0.00 N ATOM 0 H ARG A 27 1.815 -0.089 -10.668 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.010 0.061 -12.992 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.939 -0.397 -14.430 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.104 1.133 -13.593 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.526 -0.086 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.498 -1.479 -12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.226 0.493 -14.692 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.945 1.103 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 27 5.804 -1.219 -14.750 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.693 0.240 -11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.111 -0.641 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.624 -2.348 -14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.201 -2.101 -12.352 1.00 0.00 H new ATOM 398 N ASN A 28 0.196 -2.461 -13.420 1.00 0.00 N ATOM 399 CA ASN A 28 0.028 -3.910 -13.420 1.00 0.00 C ATOM 400 C ASN A 28 1.366 -4.612 -13.209 1.00 0.00 C ATOM 401 O ASN A 28 2.282 -4.480 -14.020 1.00 0.00 O ATOM 402 CB ASN A 28 -0.600 -4.371 -14.737 1.00 0.00 C ATOM 403 CG ASN A 28 -1.804 -3.536 -15.126 1.00 0.00 C ATOM 404 OD1 ASN A 28 -1.569 -2.486 -15.905 1.00 0.00 O flip ATOM 405 ND2 ASN A 28 -2.932 -3.831 -14.731 1.00 0.00 N flip ATOM 0 H ASN A 28 -0.189 -1.992 -14.240 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.635 -4.174 -12.596 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.146 -4.319 -15.530 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.899 -5.415 -14.648 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.066 -4.647 -14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.733 -3.260 -15.001 1.00 0.00 H new ATOM 412 N GLU A 29 1.470 -5.360 -12.114 1.00 0.00 N ATOM 413 CA GLU A 29 2.696 -6.083 -11.797 1.00 0.00 C ATOM 414 C GLU A 29 2.443 -7.586 -11.744 1.00 0.00 C ATOM 415 O GLU A 29 1.372 -8.031 -11.332 1.00 0.00 O ATOM 416 CB GLU A 29 3.266 -5.602 -10.461 1.00 0.00 C ATOM 417 CG GLU A 29 4.628 -6.192 -10.133 1.00 0.00 C ATOM 418 CD GLU A 29 5.677 -5.851 -11.174 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.853 -4.649 -11.465 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.320 -6.784 -11.696 1.00 0.00 O ATOM 0 H GLU A 29 0.721 -5.481 -11.433 1.00 0.00 H new ATOM 0 HA GLU A 29 3.421 -5.883 -12.586 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.345 -4.515 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.567 -5.857 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.954 -5.825 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.541 -7.275 -10.052 1.00 0.00 H new ATOM 427 N GLU A 30 3.436 -8.363 -12.164 1.00 0.00 N ATOM 428 CA GLU A 30 3.320 -9.817 -12.165 1.00 0.00 C ATOM 429 C GLU A 30 4.607 -10.466 -11.663 1.00 0.00 C ATOM 430 O GLU A 30 5.702 -10.124 -12.109 1.00 0.00 O ATOM 431 CB GLU A 30 2.996 -10.324 -13.572 1.00 0.00 C ATOM 432 CG GLU A 30 3.039 -11.837 -13.698 1.00 0.00 C ATOM 433 CD GLU A 30 4.383 -12.344 -14.185 1.00 0.00 C ATOM 434 OE1 GLU A 30 4.755 -12.030 -15.335 1.00 0.00 O ATOM 435 OE2 GLU A 30 5.062 -13.055 -13.415 1.00 0.00 O ATOM 0 H GLU A 30 4.329 -8.011 -12.508 1.00 0.00 H new ATOM 0 HA GLU A 30 2.508 -10.091 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.004 -9.972 -13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.703 -9.889 -14.278 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.815 -12.285 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.260 -12.163 -14.388 1.00 0.00 H new ATOM 442 N ALA A 31 4.465 -11.403 -10.731 1.00 0.00 N ATOM 443 CA ALA A 31 5.615 -12.101 -10.169 1.00 0.00 C ATOM 444 C ALA A 31 5.397 -13.610 -10.173 1.00 0.00 C ATOM 445 O ALA A 31 4.296 -14.089 -10.448 1.00 0.00 O ATOM 446 CB ALA A 31 5.891 -11.610 -8.756 1.00 0.00 C ATOM 0 H ALA A 31 3.566 -11.696 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 31 6.481 -11.884 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.752 -12.140 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.099 -10.540 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.020 -11.798 -8.129 1.00 0.00 H new ATOM 452 N THR A 32 6.453 -14.357 -9.867 1.00 0.00 N ATOM 453 CA THR A 32 6.377 -15.812 -9.837 1.00 0.00 C ATOM 454 C THR A 32 6.375 -16.334 -8.404 1.00 0.00 C ATOM 455 O THR A 32 6.935 -15.707 -7.506 1.00 0.00 O ATOM 456 CB THR A 32 7.552 -16.452 -10.602 1.00 0.00 C ATOM 457 OG1 THR A 32 7.736 -15.791 -11.858 1.00 0.00 O ATOM 458 CG2 THR A 32 7.303 -17.934 -10.834 1.00 0.00 C ATOM 0 H THR A 32 7.371 -13.978 -9.636 1.00 0.00 H new ATOM 0 HA THR A 32 5.442 -16.089 -10.323 1.00 0.00 H new ATOM 0 HB THR A 32 8.453 -16.342 -9.999 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.485 -16.202 -12.337 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.146 -18.364 -11.376 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.193 -18.439 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.392 -18.063 -11.419 1.00 0.00 H new ATOM 466 N GLU A 33 5.741 -17.484 -8.199 1.00 0.00 N ATOM 467 CA GLU A 33 5.667 -18.089 -6.874 1.00 0.00 C ATOM 468 C GLU A 33 7.059 -18.248 -6.270 1.00 0.00 C ATOM 469 O GLU A 33 7.978 -18.743 -6.921 1.00 0.00 O ATOM 470 CB GLU A 33 4.973 -19.450 -6.949 1.00 0.00 C ATOM 471 CG GLU A 33 3.608 -19.475 -6.280 1.00 0.00 C ATOM 472 CD GLU A 33 2.955 -20.843 -6.338 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.692 -21.851 -6.368 1.00 0.00 O ATOM 474 OE2 GLU A 33 1.708 -20.905 -6.354 1.00 0.00 O ATOM 0 H GLU A 33 5.272 -18.015 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 33 5.085 -17.427 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.861 -19.734 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.611 -20.200 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.712 -19.170 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.958 -18.745 -6.762 1.00 0.00 H new ATOM 481 N GLY A 34 7.206 -17.823 -5.018 1.00 0.00 N ATOM 482 CA GLY A 34 8.488 -17.926 -4.346 1.00 0.00 C ATOM 483 C GLY A 34 9.324 -16.670 -4.495 1.00 0.00 C ATOM 484 O GLY A 34 10.249 -16.436 -3.719 1.00 0.00 O ATOM 0 H GLY A 34 6.460 -17.410 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.324 -18.126 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.039 -18.775 -4.750 1.00 0.00 H new ATOM 488 N ALA A 35 8.997 -15.860 -5.497 1.00 0.00 N ATOM 489 CA ALA A 35 9.724 -14.621 -5.745 1.00 0.00 C ATOM 490 C ALA A 35 9.245 -13.509 -4.819 1.00 0.00 C ATOM 491 O ALA A 35 8.383 -13.724 -3.966 1.00 0.00 O ATOM 492 CB ALA A 35 9.571 -14.201 -7.200 1.00 0.00 C ATOM 0 H ALA A 35 8.234 -16.040 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 35 10.779 -14.801 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.119 -13.274 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.968 -14.982 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.516 -14.045 -7.425 1.00 0.00 H new ATOM 498 N THR A 36 9.810 -12.317 -4.990 1.00 0.00 N ATOM 499 CA THR A 36 9.442 -11.171 -4.168 1.00 0.00 C ATOM 500 C THR A 36 8.837 -10.058 -5.016 1.00 0.00 C ATOM 501 O THR A 36 9.458 -9.581 -5.966 1.00 0.00 O ATOM 502 CB THR A 36 10.658 -10.616 -3.403 1.00 0.00 C ATOM 503 OG1 THR A 36 11.257 -11.652 -2.617 1.00 0.00 O ATOM 504 CG2 THR A 36 10.248 -9.461 -2.502 1.00 0.00 C ATOM 0 H THR A 36 10.525 -12.121 -5.691 1.00 0.00 H new ATOM 0 HA THR A 36 8.700 -11.521 -3.451 1.00 0.00 H new ATOM 0 HB THR A 36 11.382 -10.249 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.030 -11.291 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.123 -9.085 -1.972 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.819 -8.662 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.508 -9.807 -1.781 1.00 0.00 H new ATOM 512 N ALA A 37 7.623 -9.647 -4.666 1.00 0.00 N ATOM 513 CA ALA A 37 6.936 -8.587 -5.394 1.00 0.00 C ATOM 514 C ALA A 37 7.093 -7.245 -4.687 1.00 0.00 C ATOM 515 O ALA A 37 7.042 -7.169 -3.459 1.00 0.00 O ATOM 516 CB ALA A 37 5.462 -8.930 -5.558 1.00 0.00 C ATOM 0 H ALA A 37 7.095 -10.032 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 37 7.391 -8.503 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.961 -8.130 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.365 -9.863 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.003 -9.042 -4.576 1.00 0.00 H new ATOM 522 N VAL A 38 7.285 -6.188 -5.470 1.00 0.00 N ATOM 523 CA VAL A 38 7.449 -4.849 -4.919 1.00 0.00 C ATOM 524 C VAL A 38 6.726 -3.811 -5.771 1.00 0.00 C ATOM 525 O VAL A 38 7.046 -3.624 -6.945 1.00 0.00 O ATOM 526 CB VAL A 38 8.937 -4.463 -4.814 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.090 -3.096 -4.166 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.706 -5.520 -4.036 1.00 0.00 C ATOM 0 H VAL A 38 7.331 -6.234 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 38 7.013 -4.863 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 38 9.353 -4.409 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.148 -2.841 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.573 -2.348 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.659 -3.118 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.755 -5.232 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.291 -5.607 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.624 -6.479 -4.547 1.00 0.00 H new ATOM 538 N LEU A 39 5.749 -3.139 -5.172 1.00 0.00 N ATOM 539 CA LEU A 39 4.979 -2.119 -5.876 1.00 0.00 C ATOM 540 C LEU A 39 5.450 -0.720 -5.492 1.00 0.00 C ATOM 541 O LEU A 39 5.429 -0.347 -4.319 1.00 0.00 O ATOM 542 CB LEU A 39 3.489 -2.271 -5.564 1.00 0.00 C ATOM 543 CG LEU A 39 2.848 -3.595 -5.981 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.891 -4.086 -4.906 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.125 -3.442 -7.312 1.00 0.00 C ATOM 0 H LEU A 39 5.471 -3.282 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 39 5.136 -2.254 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.348 -2.144 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.951 -1.460 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 39 3.637 -4.337 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.444 -5.029 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.436 -4.235 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.106 -3.346 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.675 -4.394 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.346 -2.686 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.836 -3.136 -8.079 1.00 0.00 H new ATOM 557 N ARG A 40 5.874 0.050 -6.489 1.00 0.00 N ATOM 558 CA ARG A 40 6.350 1.408 -6.255 1.00 0.00 C ATOM 559 C ARG A 40 5.553 2.413 -7.083 1.00 0.00 C ATOM 560 O ARG A 40 5.270 2.178 -8.258 1.00 0.00 O ATOM 561 CB ARG A 40 7.837 1.516 -6.597 1.00 0.00 C ATOM 562 CG ARG A 40 8.677 0.384 -6.026 1.00 0.00 C ATOM 563 CD ARG A 40 9.271 -0.478 -7.129 1.00 0.00 C ATOM 564 NE ARG A 40 10.475 0.119 -7.701 1.00 0.00 N ATOM 565 CZ ARG A 40 11.037 -0.299 -8.830 1.00 0.00 C ATOM 566 NH1 ARG A 40 10.506 -1.310 -9.504 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.131 0.295 -9.288 1.00 0.00 N ATOM 0 H ARG A 40 5.898 -0.243 -7.466 1.00 0.00 H new ATOM 0 HA ARG A 40 6.209 1.639 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.952 1.531 -7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.219 2.466 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.479 0.797 -5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.062 -0.233 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.510 -1.464 -6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.530 -0.623 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 40 10.908 0.899 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.664 -1.769 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.939 -1.629 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.542 1.074 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.561 -0.027 -10.155 1.00 0.00 H new ATOM 581 N CYS A 41 5.195 3.531 -6.462 1.00 0.00 N ATOM 582 CA CYS A 41 4.430 4.571 -7.140 1.00 0.00 C ATOM 583 C CYS A 41 5.045 5.945 -6.896 1.00 0.00 C ATOM 584 O CYS A 41 6.033 6.074 -6.174 1.00 0.00 O ATOM 585 CB CYS A 41 2.977 4.557 -6.663 1.00 0.00 C ATOM 586 SG CYS A 41 2.777 4.885 -4.896 1.00 0.00 S ATOM 0 H CYS A 41 5.422 3.741 -5.490 1.00 0.00 H new ATOM 0 HA CYS A 41 4.455 4.367 -8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.414 5.301 -7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.540 3.585 -6.893 1.00 0.00 H new ATOM 0 HG CYS A 41 1.520 5.085 -4.631 1.00 0.00 H new ATOM 592 N GLU A 42 4.454 6.969 -7.505 1.00 0.00 N ATOM 593 CA GLU A 42 4.946 8.333 -7.355 1.00 0.00 C ATOM 594 C GLU A 42 3.798 9.298 -7.072 1.00 0.00 C ATOM 595 O GLU A 42 2.677 9.101 -7.543 1.00 0.00 O ATOM 596 CB GLU A 42 5.695 8.770 -8.615 1.00 0.00 C ATOM 597 CG GLU A 42 6.545 10.014 -8.418 1.00 0.00 C ATOM 598 CD GLU A 42 7.398 10.336 -9.630 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.381 9.545 -10.596 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.084 11.380 -9.611 1.00 0.00 O ATOM 0 H GLU A 42 3.635 6.879 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 42 5.632 8.353 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.334 7.953 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.973 8.956 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.896 10.862 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.190 9.875 -7.551 1.00 0.00 H new ATOM 607 N LEU A 43 4.085 10.340 -6.301 1.00 0.00 N ATOM 608 CA LEU A 43 3.077 11.336 -5.954 1.00 0.00 C ATOM 609 C LEU A 43 3.494 12.723 -6.434 1.00 0.00 C ATOM 610 O LEU A 43 4.558 12.890 -7.031 1.00 0.00 O ATOM 611 CB LEU A 43 2.850 11.355 -4.441 1.00 0.00 C ATOM 612 CG LEU A 43 2.114 10.148 -3.859 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.506 9.934 -2.405 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.608 10.329 -3.986 1.00 0.00 C ATOM 0 H LEU A 43 5.008 10.518 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 43 2.146 11.064 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.819 11.436 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.288 12.254 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 43 2.403 9.263 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.972 9.071 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.580 9.758 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.247 10.819 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.100 9.460 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.302 11.224 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.341 10.432 -5.038 1.00 0.00 H new ATOM 626 N SER A 44 2.651 13.714 -6.167 1.00 0.00 N ATOM 627 CA SER A 44 2.931 15.087 -6.573 1.00 0.00 C ATOM 628 C SER A 44 3.646 15.847 -5.460 1.00 0.00 C ATOM 629 O SER A 44 4.423 16.766 -5.720 1.00 0.00 O ATOM 630 CB SER A 44 1.633 15.806 -6.946 1.00 0.00 C ATOM 631 OG SER A 44 1.866 16.807 -7.921 1.00 0.00 O ATOM 0 H SER A 44 1.768 13.593 -5.671 1.00 0.00 H new ATOM 0 HA SER A 44 3.584 15.056 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.910 15.084 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.194 16.256 -6.056 1.00 0.00 H new ATOM 0 HG SER A 44 1.021 17.250 -8.143 1.00 0.00 H new ATOM 637 N LYS A 45 3.376 15.458 -4.219 1.00 0.00 N ATOM 638 CA LYS A 45 3.993 16.100 -3.064 1.00 0.00 C ATOM 639 C LYS A 45 4.120 15.122 -1.901 1.00 0.00 C ATOM 640 O LYS A 45 3.291 14.227 -1.737 1.00 0.00 O ATOM 641 CB LYS A 45 3.173 17.318 -2.634 1.00 0.00 C ATOM 642 CG LYS A 45 4.017 18.544 -2.330 1.00 0.00 C ATOM 643 CD LYS A 45 3.260 19.544 -1.472 1.00 0.00 C ATOM 644 CE LYS A 45 3.117 19.053 -0.039 1.00 0.00 C ATOM 645 NZ LYS A 45 4.041 19.766 0.886 1.00 0.00 N ATOM 0 H LYS A 45 2.733 14.701 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 45 4.993 16.426 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.462 17.563 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.591 17.060 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.930 18.240 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.319 19.019 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.782 20.501 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.272 19.717 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.089 19.196 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.319 17.983 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.913 19.403 1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.024 19.609 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.832 20.785 0.868 1.00 0.00 H new ATOM 659 N MET A 46 5.162 15.300 -1.095 1.00 0.00 N ATOM 660 CA MET A 46 5.394 14.434 0.055 1.00 0.00 C ATOM 661 C MET A 46 4.197 14.453 1.001 1.00 0.00 C ATOM 662 O MET A 46 3.851 15.494 1.558 1.00 0.00 O ATOM 663 CB MET A 46 6.656 14.870 0.802 1.00 0.00 C ATOM 664 CG MET A 46 6.927 14.062 2.061 1.00 0.00 C ATOM 665 SD MET A 46 8.566 14.371 2.745 1.00 0.00 S ATOM 666 CE MET A 46 8.361 16.034 3.378 1.00 0.00 C ATOM 0 H MET A 46 5.858 16.035 -1.217 1.00 0.00 H new ATOM 0 HA MET A 46 5.530 13.416 -0.310 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.512 14.783 0.133 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.565 15.923 1.069 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.173 14.302 2.811 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.826 13.000 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.263 16.334 3.911 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.184 16.720 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.511 16.062 4.059 1.00 0.00 H new ATOM 676 N ALA A 47 3.569 13.295 1.176 1.00 0.00 N ATOM 677 CA ALA A 47 2.412 13.179 2.056 1.00 0.00 C ATOM 678 C ALA A 47 2.200 11.734 2.496 1.00 0.00 C ATOM 679 O ALA A 47 2.692 10.792 1.874 1.00 0.00 O ATOM 680 CB ALA A 47 1.167 13.710 1.362 1.00 0.00 C ATOM 0 H ALA A 47 3.842 12.424 0.720 1.00 0.00 H new ATOM 0 HA ALA A 47 2.601 13.778 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.311 13.617 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.314 14.759 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.983 13.135 0.455 1.00 0.00 H new ATOM 686 N PRO A 48 1.451 11.554 3.594 1.00 0.00 N ATOM 687 CA PRO A 48 1.157 10.226 4.142 1.00 0.00 C ATOM 688 C PRO A 48 0.215 9.426 3.248 1.00 0.00 C ATOM 689 O PRO A 48 -0.762 9.960 2.724 1.00 0.00 O ATOM 690 CB PRO A 48 0.487 10.536 5.483 1.00 0.00 C ATOM 691 CG PRO A 48 -0.097 11.896 5.309 1.00 0.00 C ATOM 692 CD PRO A 48 0.833 12.631 4.385 1.00 0.00 C ATOM 0 HA PRO A 48 2.054 9.613 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.283 9.802 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.208 10.516 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.101 11.839 4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.182 12.410 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.295 13.337 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.579 13.203 4.937 1.00 0.00 H new ATOM 700 N VAL A 49 0.515 8.142 3.079 1.00 0.00 N ATOM 701 CA VAL A 49 -0.306 7.268 2.251 1.00 0.00 C ATOM 702 C VAL A 49 -0.852 6.097 3.060 1.00 0.00 C ATOM 703 O VAL A 49 -0.471 5.896 4.213 1.00 0.00 O ATOM 704 CB VAL A 49 0.491 6.720 1.052 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.938 7.856 0.144 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.685 5.909 1.531 1.00 0.00 C ATOM 0 H VAL A 49 1.321 7.684 3.505 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.136 7.870 1.883 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.159 6.061 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.499 7.450 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.064 8.390 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.572 8.543 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.236 5.530 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.339 6.543 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.337 5.072 2.136 1.00 0.00 H new ATOM 716 N GLU A 50 -1.748 5.328 2.448 1.00 0.00 N ATOM 717 CA GLU A 50 -2.347 4.177 3.113 1.00 0.00 C ATOM 718 C GLU A 50 -2.576 3.037 2.126 1.00 0.00 C ATOM 719 O GLU A 50 -3.257 3.204 1.115 1.00 0.00 O ATOM 720 CB GLU A 50 -3.672 4.572 3.769 1.00 0.00 C ATOM 721 CG GLU A 50 -3.506 5.459 4.992 1.00 0.00 C ATOM 722 CD GLU A 50 -3.771 6.922 4.692 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.916 7.252 4.319 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.834 7.736 4.830 1.00 0.00 O ATOM 0 H GLU A 50 -2.074 5.481 1.494 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.656 3.834 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.290 5.090 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.209 3.668 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.186 5.123 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.494 5.349 5.381 1.00 0.00 H new ATOM 731 N TRP A 51 -2.001 1.878 2.427 1.00 0.00 N ATOM 732 CA TRP A 51 -2.141 0.709 1.566 1.00 0.00 C ATOM 733 C TRP A 51 -3.376 -0.101 1.945 1.00 0.00 C ATOM 734 O TRP A 51 -3.621 -0.363 3.122 1.00 0.00 O ATOM 735 CB TRP A 51 -0.892 -0.170 1.657 1.00 0.00 C ATOM 736 CG TRP A 51 0.320 0.455 1.036 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.179 1.339 1.623 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.806 0.243 -0.294 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.170 1.691 0.739 1.00 0.00 N ATOM 740 CE2 TRP A 51 1.964 1.031 -0.444 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.378 -0.536 -1.372 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.696 1.061 -1.629 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.105 -0.505 -2.547 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.253 0.288 -2.668 1.00 0.00 C ATOM 0 H TRP A 51 -1.434 1.723 3.260 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.258 1.057 0.540 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.684 -0.386 2.705 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.091 -1.124 1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.092 1.708 2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.934 2.338 0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.505 -1.152 -1.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.581 1.672 -1.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.782 -1.103 -3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.799 0.290 -3.600 1.00 0.00 H new ATOM 755 N TRP A 52 -4.151 -0.494 0.940 1.00 0.00 N ATOM 756 CA TRP A 52 -5.362 -1.275 1.169 1.00 0.00 C ATOM 757 C TRP A 52 -5.399 -2.500 0.263 1.00 0.00 C ATOM 758 O TRP A 52 -4.952 -2.451 -0.883 1.00 0.00 O ATOM 759 CB TRP A 52 -6.602 -0.412 0.932 1.00 0.00 C ATOM 760 CG TRP A 52 -6.813 0.629 1.990 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.250 1.872 2.040 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.644 0.515 3.150 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.682 2.538 3.162 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.538 1.728 3.859 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.468 -0.492 3.659 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.224 1.957 5.048 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.149 -0.263 4.839 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.025 0.953 5.523 1.00 0.00 C ATOM 0 H TRP A 52 -3.963 -0.285 -0.040 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.356 -1.613 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.515 0.078 -0.038 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.480 -1.056 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.566 2.273 1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.409 3.483 3.432 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.571 -1.433 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.128 2.893 5.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.788 -1.035 5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.572 1.102 6.443 1.00 0.00 H new ATOM 779 N LYS A 53 -5.933 -3.600 0.783 1.00 0.00 N ATOM 780 CA LYS A 53 -6.030 -4.839 0.021 1.00 0.00 C ATOM 781 C LYS A 53 -7.442 -5.412 0.091 1.00 0.00 C ATOM 782 O LYS A 53 -7.790 -6.117 1.037 1.00 0.00 O ATOM 783 CB LYS A 53 -5.025 -5.866 0.547 1.00 0.00 C ATOM 784 CG LYS A 53 -4.796 -7.032 -0.398 1.00 0.00 C ATOM 785 CD LYS A 53 -3.711 -7.963 0.117 1.00 0.00 C ATOM 786 CE LYS A 53 -3.263 -8.944 -0.955 1.00 0.00 C ATOM 787 NZ LYS A 53 -4.312 -9.958 -1.253 1.00 0.00 N ATOM 0 H LYS A 53 -6.306 -3.658 1.731 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.799 -4.614 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.073 -5.368 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.377 -6.249 1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.725 -7.588 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.516 -6.655 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.857 -7.376 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.082 -8.512 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.016 -8.399 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.353 -9.448 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.873 -10.897 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.011 -9.971 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.785 -9.715 -2.147 1.00 0.00 H new ATOM 801 N GLY A 54 -8.252 -5.105 -0.918 1.00 0.00 N ATOM 802 CA GLY A 54 -9.616 -5.599 -0.952 1.00 0.00 C ATOM 803 C GLY A 54 -10.506 -4.914 0.066 1.00 0.00 C ATOM 804 O GLY A 54 -11.246 -3.988 -0.268 1.00 0.00 O ATOM 0 H GLY A 54 -7.987 -4.523 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.029 -5.449 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.615 -6.673 -0.765 1.00 0.00 H new ATOM 808 N HIS A 55 -10.435 -5.369 1.313 1.00 0.00 N ATOM 809 CA HIS A 55 -11.242 -4.794 2.384 1.00 0.00 C ATOM 810 C HIS A 55 -10.477 -4.800 3.704 1.00 0.00 C ATOM 811 O HIS A 55 -11.069 -4.932 4.774 1.00 0.00 O ATOM 812 CB HIS A 55 -12.551 -5.569 2.537 1.00 0.00 C ATOM 813 CG HIS A 55 -13.710 -4.712 2.944 1.00 0.00 C ATOM 814 ND1 HIS A 55 -15.020 -5.140 2.885 1.00 0.00 N ATOM 815 CD2 HIS A 55 -13.751 -3.446 3.420 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.816 -4.173 3.306 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.071 -3.134 3.637 1.00 0.00 N ATOM 0 H HIS A 55 -9.827 -6.134 1.607 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.468 -3.761 2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.786 -6.059 1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.413 -6.356 3.279 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.903 -2.801 3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.893 -4.224 3.369 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.419 -2.245 3.995 1.00 0.00 H new ATOM 825 N GLU A 56 -9.158 -4.656 3.618 1.00 0.00 N ATOM 826 CA GLU A 56 -8.313 -4.646 4.806 1.00 0.00 C ATOM 827 C GLU A 56 -7.090 -3.758 4.597 1.00 0.00 C ATOM 828 O GLU A 56 -6.610 -3.597 3.474 1.00 0.00 O ATOM 829 CB GLU A 56 -7.870 -6.068 5.156 1.00 0.00 C ATOM 830 CG GLU A 56 -7.465 -6.239 6.611 1.00 0.00 C ATOM 831 CD GLU A 56 -8.325 -7.252 7.341 1.00 0.00 C ATOM 832 OE1 GLU A 56 -8.639 -8.304 6.746 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.684 -6.992 8.509 1.00 0.00 O ATOM 0 H GLU A 56 -8.652 -4.545 2.739 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.897 -4.241 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.683 -6.759 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.030 -6.345 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.422 -6.552 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.533 -5.277 7.119 1.00 0.00 H new ATOM 840 N THR A 57 -6.590 -3.182 5.686 1.00 0.00 N ATOM 841 CA THR A 57 -5.425 -2.309 5.623 1.00 0.00 C ATOM 842 C THR A 57 -4.137 -3.095 5.838 1.00 0.00 C ATOM 843 O THR A 57 -4.025 -3.876 6.784 1.00 0.00 O ATOM 844 CB THR A 57 -5.508 -1.184 6.672 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.747 -1.270 7.385 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.391 0.181 6.012 1.00 0.00 C ATOM 0 H THR A 57 -6.974 -3.305 6.623 1.00 0.00 H new ATOM 0 HA THR A 57 -5.415 -1.866 4.627 1.00 0.00 H new ATOM 0 HB THR A 57 -4.679 -1.305 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.483 -1.000 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.452 0.959 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.435 0.254 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.202 0.309 5.295 1.00 0.00 H new ATOM 854 N LEU A 58 -3.166 -2.883 4.957 1.00 0.00 N ATOM 855 CA LEU A 58 -1.883 -3.572 5.051 1.00 0.00 C ATOM 856 C LEU A 58 -1.012 -2.953 6.139 1.00 0.00 C ATOM 857 O LEU A 58 -0.834 -1.736 6.189 1.00 0.00 O ATOM 858 CB LEU A 58 -1.154 -3.520 3.707 1.00 0.00 C ATOM 859 CG LEU A 58 -1.953 -3.993 2.492 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.183 -3.721 1.209 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.284 -5.473 2.614 1.00 0.00 C ATOM 0 H LEU A 58 -3.242 -2.240 4.169 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.075 -4.612 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.834 -2.493 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.252 -4.127 3.782 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.888 -3.434 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.767 -4.064 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.998 -2.651 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.232 -4.253 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.853 -5.792 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.360 -6.049 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.876 -5.640 3.514 1.00 0.00 H new ATOM 873 N ARG A 59 -0.469 -3.800 7.008 1.00 0.00 N ATOM 874 CA ARG A 59 0.385 -3.336 8.094 1.00 0.00 C ATOM 875 C ARG A 59 1.860 -3.488 7.730 1.00 0.00 C ATOM 876 O ARG A 59 2.199 -4.109 6.723 1.00 0.00 O ATOM 877 CB ARG A 59 0.083 -4.114 9.377 1.00 0.00 C ATOM 878 CG ARG A 59 -1.075 -3.543 10.177 1.00 0.00 C ATOM 879 CD ARG A 59 -0.592 -2.560 11.232 1.00 0.00 C ATOM 880 NE ARG A 59 -0.692 -1.176 10.778 1.00 0.00 N ATOM 881 CZ ARG A 59 -0.546 -0.127 11.579 1.00 0.00 C ATOM 882 NH1 ARG A 59 -0.295 -0.304 12.869 1.00 0.00 N ATOM 883 NH2 ARG A 59 -0.650 1.102 11.091 1.00 0.00 N ATOM 0 H ARG A 59 -0.606 -4.810 6.981 1.00 0.00 H new ATOM 0 HA ARG A 59 0.176 -2.279 8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.140 -5.150 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.975 -4.126 10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.772 -3.043 9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.622 -4.354 10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.180 -2.686 12.141 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.444 -2.783 11.488 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.885 -1.005 9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.214 -1.247 13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.183 0.503 13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.842 1.242 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.538 1.907 11.708 1.00 0.00 H new ATOM 897 N ASP A 60 2.729 -2.917 8.556 1.00 0.00 N ATOM 898 CA ASP A 60 4.167 -2.989 8.321 1.00 0.00 C ATOM 899 C ASP A 60 4.832 -3.940 9.311 1.00 0.00 C ATOM 900 O ASP A 60 4.625 -3.840 10.519 1.00 0.00 O ATOM 901 CB ASP A 60 4.793 -1.598 8.432 1.00 0.00 C ATOM 902 CG ASP A 60 4.917 -1.132 9.869 1.00 0.00 C ATOM 903 OD1 ASP A 60 5.909 -1.503 10.530 1.00 0.00 O ATOM 904 OD2 ASP A 60 4.021 -0.395 10.334 1.00 0.00 O ATOM 0 H ASP A 60 2.464 -2.399 9.394 1.00 0.00 H new ATOM 0 HA ASP A 60 4.327 -3.372 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.780 -1.609 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.188 -0.885 7.873 1.00 0.00 H new ATOM 909 N GLY A 61 5.632 -4.865 8.788 1.00 0.00 N ATOM 910 CA GLY A 61 6.314 -5.822 9.639 1.00 0.00 C ATOM 911 C GLY A 61 7.404 -6.577 8.905 1.00 0.00 C ATOM 912 O GLY A 61 8.144 -5.996 8.111 1.00 0.00 O ATOM 0 H GLY A 61 5.820 -4.968 7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.749 -5.300 10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.589 -6.532 10.036 1.00 0.00 H new ATOM 916 N ASP A 62 7.506 -7.875 9.172 1.00 0.00 N ATOM 917 CA ASP A 62 8.515 -8.710 8.531 1.00 0.00 C ATOM 918 C ASP A 62 8.038 -9.184 7.162 1.00 0.00 C ATOM 919 O ASP A 62 8.665 -8.899 6.142 1.00 0.00 O ATOM 920 CB ASP A 62 8.847 -9.914 9.414 1.00 0.00 C ATOM 921 CG ASP A 62 9.903 -9.595 10.454 1.00 0.00 C ATOM 922 OD1 ASP A 62 9.574 -8.901 11.439 1.00 0.00 O ATOM 923 OD2 ASP A 62 11.058 -10.038 10.283 1.00 0.00 O ATOM 0 H ASP A 62 6.902 -8.371 9.828 1.00 0.00 H new ATOM 0 HA ASP A 62 9.415 -8.110 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.940 -10.255 9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.194 -10.736 8.788 1.00 0.00 H new ATOM 928 N ARG A 63 6.925 -9.911 7.148 1.00 0.00 N ATOM 929 CA ARG A 63 6.366 -10.427 5.904 1.00 0.00 C ATOM 930 C ARG A 63 6.184 -9.307 4.884 1.00 0.00 C ATOM 931 O ARG A 63 6.448 -9.488 3.695 1.00 0.00 O ATOM 932 CB ARG A 63 5.024 -11.112 6.170 1.00 0.00 C ATOM 933 CG ARG A 63 5.151 -12.587 6.516 1.00 0.00 C ATOM 934 CD ARG A 63 3.819 -13.308 6.380 1.00 0.00 C ATOM 935 NE ARG A 63 3.944 -14.740 6.638 1.00 0.00 N ATOM 936 CZ ARG A 63 2.958 -15.610 6.445 1.00 0.00 C ATOM 937 NH1 ARG A 63 1.782 -15.195 5.995 1.00 0.00 N ATOM 938 NH2 ARG A 63 3.148 -16.898 6.702 1.00 0.00 N ATOM 0 H ARG A 63 6.393 -10.156 7.983 1.00 0.00 H new ATOM 0 HA ARG A 63 7.065 -11.157 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.519 -10.598 6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.391 -11.007 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.887 -13.053 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.520 -12.692 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.100 -12.876 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.424 -13.154 5.376 1.00 0.00 H new ATOM 0 HE ARG A 63 4.836 -15.091 6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.632 -14.206 5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.027 -15.865 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.051 -17.221 7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.391 -17.565 6.554 1.00 0.00 H new ATOM 952 N HIS A 64 5.731 -8.151 5.357 1.00 0.00 N ATOM 953 CA HIS A 64 5.513 -7.001 4.486 1.00 0.00 C ATOM 954 C HIS A 64 6.443 -5.851 4.862 1.00 0.00 C ATOM 955 O HIS A 64 6.611 -5.536 6.040 1.00 0.00 O ATOM 956 CB HIS A 64 4.057 -6.542 4.565 1.00 0.00 C ATOM 957 CG HIS A 64 3.088 -7.522 3.979 1.00 0.00 C ATOM 958 ND1 HIS A 64 2.856 -8.768 4.522 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.287 -7.433 2.891 1.00 0.00 C ATOM 960 CE1 HIS A 64 1.956 -9.404 3.793 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.594 -8.615 2.797 1.00 0.00 N ATOM 0 H HIS A 64 5.508 -7.985 6.338 1.00 0.00 H new ATOM 0 HA HIS A 64 5.734 -7.305 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.796 -6.365 5.609 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.956 -5.589 4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.208 -6.589 2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.580 -10.399 3.980 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.911 -8.846 2.076 1.00 0.00 H new ATOM 969 N SER A 65 7.044 -5.228 3.854 1.00 0.00 N ATOM 970 CA SER A 65 7.960 -4.116 4.079 1.00 0.00 C ATOM 971 C SER A 65 7.439 -2.841 3.423 1.00 0.00 C ATOM 972 O SER A 65 7.138 -2.822 2.228 1.00 0.00 O ATOM 973 CB SER A 65 9.349 -4.453 3.534 1.00 0.00 C ATOM 974 OG SER A 65 9.524 -5.854 3.414 1.00 0.00 O ATOM 0 H SER A 65 6.913 -5.474 2.873 1.00 0.00 H new ATOM 0 HA SER A 65 8.030 -3.948 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.485 -3.982 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.112 -4.043 4.196 1.00 0.00 H new ATOM 0 HG SER A 65 10.419 -6.043 3.062 1.00 0.00 H new ATOM 980 N LEU A 66 7.334 -1.777 4.211 1.00 0.00 N ATOM 981 CA LEU A 66 6.849 -0.497 3.709 1.00 0.00 C ATOM 982 C LEU A 66 7.945 0.563 3.771 1.00 0.00 C ATOM 983 O LEU A 66 8.493 0.841 4.837 1.00 0.00 O ATOM 984 CB LEU A 66 5.633 -0.037 4.515 1.00 0.00 C ATOM 985 CG LEU A 66 4.337 -0.813 4.276 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.391 -2.167 4.967 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.139 -0.011 4.762 1.00 0.00 C ATOM 0 H LEU A 66 7.579 -1.776 5.201 1.00 0.00 H new ATOM 0 HA LEU A 66 6.557 -0.631 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.880 -0.099 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.450 1.014 4.291 1.00 0.00 H new ATOM 0 HG LEU A 66 4.227 -0.979 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.461 -2.705 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.227 -2.744 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.524 -2.023 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.225 -0.578 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.242 0.186 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.090 0.934 4.221 1.00 0.00 H new ATOM 999 N ARG A 67 8.257 1.152 2.621 1.00 0.00 N ATOM 1000 CA ARG A 67 9.286 2.181 2.545 1.00 0.00 C ATOM 1001 C ARG A 67 8.794 3.384 1.746 1.00 0.00 C ATOM 1002 O ARG A 67 8.169 3.230 0.697 1.00 0.00 O ATOM 1003 CB ARG A 67 10.557 1.617 1.906 1.00 0.00 C ATOM 1004 CG ARG A 67 10.967 0.263 2.461 1.00 0.00 C ATOM 1005 CD ARG A 67 12.164 -0.306 1.714 1.00 0.00 C ATOM 1006 NE ARG A 67 12.725 -1.474 2.388 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.916 -1.987 2.099 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.666 -1.438 1.154 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.358 -3.051 2.757 1.00 0.00 N ATOM 0 H ARG A 67 7.812 0.934 1.730 1.00 0.00 H new ATOM 0 HA ARG A 67 9.512 2.508 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.404 1.528 0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.373 2.324 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.210 0.361 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.129 -0.430 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.863 -0.581 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.932 0.462 1.621 1.00 0.00 H new ATOM 0 HE ARG A 67 12.172 -1.920 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.329 -0.620 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.580 -1.834 0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.783 -3.475 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.272 -3.445 2.535 1.00 0.00 H new ATOM 1023 N GLN A 68 9.080 4.580 2.250 1.00 0.00 N ATOM 1024 CA GLN A 68 8.664 5.809 1.583 1.00 0.00 C ATOM 1025 C GLN A 68 9.830 6.786 1.468 1.00 0.00 C ATOM 1026 O GLN A 68 10.498 7.089 2.456 1.00 0.00 O ATOM 1027 CB GLN A 68 7.509 6.462 2.344 1.00 0.00 C ATOM 1028 CG GLN A 68 6.931 7.681 1.644 1.00 0.00 C ATOM 1029 CD GLN A 68 5.876 8.385 2.474 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.793 8.192 3.687 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.062 9.207 1.822 1.00 0.00 N ATOM 0 H GLN A 68 9.598 4.725 3.117 1.00 0.00 H new ATOM 0 HA GLN A 68 8.328 5.552 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.717 5.726 2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.857 6.753 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.736 8.380 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.496 7.376 0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.167 9.337 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.332 9.709 2.327 1.00 0.00 H new ATOM 1040 N ASP A 69 10.067 7.276 0.256 1.00 0.00 N ATOM 1041 CA ASP A 69 11.151 8.220 0.012 1.00 0.00 C ATOM 1042 C ASP A 69 10.613 9.530 -0.557 1.00 0.00 C ATOM 1043 O ASP A 69 10.609 9.736 -1.770 1.00 0.00 O ATOM 1044 CB ASP A 69 12.176 7.615 -0.948 1.00 0.00 C ATOM 1045 CG ASP A 69 13.178 6.725 -0.240 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.615 7.091 0.871 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.526 5.663 -0.797 1.00 0.00 O ATOM 0 H ASP A 69 9.523 7.035 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 69 11.637 8.431 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.657 7.036 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.706 8.417 -1.461 1.00 0.00 H new ATOM 1052 N GLY A 70 10.159 10.412 0.328 1.00 0.00 N ATOM 1053 CA GLY A 70 9.625 11.690 -0.105 1.00 0.00 C ATOM 1054 C GLY A 70 8.250 11.561 -0.730 1.00 0.00 C ATOM 1055 O GLY A 70 7.237 11.595 -0.032 1.00 0.00 O ATOM 0 H GLY A 70 10.151 10.264 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.571 12.366 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.308 12.140 -0.826 1.00 0.00 H new ATOM 1059 N ALA A 71 8.214 11.413 -2.051 1.00 0.00 N ATOM 1060 CA ALA A 71 6.954 11.279 -2.770 1.00 0.00 C ATOM 1061 C ALA A 71 6.786 9.868 -3.324 1.00 0.00 C ATOM 1062 O ALA A 71 5.667 9.370 -3.453 1.00 0.00 O ATOM 1063 CB ALA A 71 6.876 12.302 -3.894 1.00 0.00 C ATOM 0 H ALA A 71 9.043 11.383 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 71 6.142 11.465 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.929 12.190 -4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.942 13.307 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.701 12.143 -4.589 1.00 0.00 H new ATOM 1069 N ARG A 72 7.904 9.228 -3.651 1.00 0.00 N ATOM 1070 CA ARG A 72 7.880 7.875 -4.193 1.00 0.00 C ATOM 1071 C ARG A 72 7.730 6.845 -3.078 1.00 0.00 C ATOM 1072 O ARG A 72 8.555 6.779 -2.165 1.00 0.00 O ATOM 1073 CB ARG A 72 9.157 7.599 -4.989 1.00 0.00 C ATOM 1074 CG ARG A 72 9.005 7.826 -6.484 1.00 0.00 C ATOM 1075 CD ARG A 72 9.941 6.932 -7.282 1.00 0.00 C ATOM 1076 NE ARG A 72 10.420 7.587 -8.496 1.00 0.00 N ATOM 1077 CZ ARG A 72 11.092 6.958 -9.454 1.00 0.00 C ATOM 1078 NH1 ARG A 72 11.362 5.665 -9.340 1.00 0.00 N ATOM 1079 NH2 ARG A 72 11.494 7.622 -10.530 1.00 0.00 N ATOM 0 H ARG A 72 8.838 9.625 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 72 7.020 7.792 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.955 8.239 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.467 6.568 -4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.974 7.631 -6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.211 8.871 -6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.792 6.652 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.423 6.010 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 72 10.228 8.582 -8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.054 5.150 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.878 5.185 -10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.287 8.617 -10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.010 7.138 -11.265 1.00 0.00 H new ATOM 1093 N CYS A 73 6.673 6.045 -3.157 1.00 0.00 N ATOM 1094 CA CYS A 73 6.414 5.018 -2.153 1.00 0.00 C ATOM 1095 C CYS A 73 6.807 3.639 -2.672 1.00 0.00 C ATOM 1096 O CYS A 73 6.947 3.436 -3.878 1.00 0.00 O ATOM 1097 CB CYS A 73 4.937 5.026 -1.756 1.00 0.00 C ATOM 1098 SG CYS A 73 4.307 6.655 -1.289 1.00 0.00 S ATOM 0 H CYS A 73 5.981 6.087 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 73 7.020 5.241 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.346 4.645 -2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.792 4.340 -0.922 1.00 0.00 H new ATOM 0 HG CYS A 73 3.207 6.898 -1.939 1.00 0.00 H new ATOM 1104 N GLU A 74 6.984 2.695 -1.753 1.00 0.00 N ATOM 1105 CA GLU A 74 7.363 1.335 -2.119 1.00 0.00 C ATOM 1106 C GLU A 74 6.892 0.337 -1.065 1.00 0.00 C ATOM 1107 O GLU A 74 6.933 0.617 0.134 1.00 0.00 O ATOM 1108 CB GLU A 74 8.880 1.234 -2.291 1.00 0.00 C ATOM 1109 CG GLU A 74 9.374 -0.185 -2.517 1.00 0.00 C ATOM 1110 CD GLU A 74 10.851 -0.242 -2.856 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.196 -0.031 -4.038 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.661 -0.497 -1.941 1.00 0.00 O ATOM 0 H GLU A 74 6.871 2.847 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 74 6.880 1.092 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.184 1.854 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.366 1.642 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.188 -0.777 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.802 -0.640 -3.325 1.00 0.00 H new ATOM 1119 N LEU A 75 6.445 -0.828 -1.521 1.00 0.00 N ATOM 1120 CA LEU A 75 5.965 -1.869 -0.618 1.00 0.00 C ATOM 1121 C LEU A 75 6.431 -3.246 -1.080 1.00 0.00 C ATOM 1122 O LEU A 75 5.968 -3.758 -2.099 1.00 0.00 O ATOM 1123 CB LEU A 75 4.438 -1.835 -0.536 1.00 0.00 C ATOM 1124 CG LEU A 75 3.777 -3.024 0.164 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.332 -3.191 1.570 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.266 -2.847 0.202 1.00 0.00 C ATOM 0 H LEU A 75 6.405 -1.076 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 75 6.380 -1.678 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.142 -0.923 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.041 -1.769 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 75 4.003 -3.927 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.850 -4.041 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.407 -3.364 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.137 -2.288 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.812 -3.702 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.020 -1.935 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.882 -2.777 -0.816 1.00 0.00 H new ATOM 1138 N GLN A 76 7.346 -3.840 -0.321 1.00 0.00 N ATOM 1139 CA GLN A 76 7.873 -5.159 -0.652 1.00 0.00 C ATOM 1140 C GLN A 76 7.057 -6.256 0.024 1.00 0.00 C ATOM 1141 O GLN A 76 6.575 -6.083 1.144 1.00 0.00 O ATOM 1142 CB GLN A 76 9.340 -5.266 -0.232 1.00 0.00 C ATOM 1143 CG GLN A 76 9.922 -6.659 -0.405 1.00 0.00 C ATOM 1144 CD GLN A 76 11.419 -6.640 -0.644 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.898 -6.039 -1.606 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.167 -7.300 0.232 1.00 0.00 N ATOM 0 H GLN A 76 7.738 -3.429 0.527 1.00 0.00 H new ATOM 0 HA GLN A 76 7.801 -5.291 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.929 -4.560 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.433 -4.970 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.707 -7.251 0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.430 -7.153 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.728 -7.784 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.181 -7.323 0.122 1.00 0.00 H new ATOM 1155 N ILE A 77 6.906 -7.383 -0.663 1.00 0.00 N ATOM 1156 CA ILE A 77 6.149 -8.508 -0.128 1.00 0.00 C ATOM 1157 C ILE A 77 6.941 -9.807 -0.242 1.00 0.00 C ATOM 1158 O ILE A 77 7.333 -10.213 -1.335 1.00 0.00 O ATOM 1159 CB ILE A 77 4.802 -8.676 -0.854 1.00 0.00 C ATOM 1160 CG1 ILE A 77 3.977 -7.392 -0.748 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.032 -9.855 -0.277 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.416 -6.923 -2.072 1.00 0.00 C ATOM 0 H ILE A 77 7.298 -7.541 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 77 5.961 -8.291 0.923 1.00 0.00 H new ATOM 0 HB ILE A 77 4.997 -8.875 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.155 -7.555 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.600 -6.603 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.082 -9.961 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.617 -10.767 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.845 -9.684 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.843 -6.008 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.234 -6.728 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.766 -7.694 -2.486 1.00 0.00 H new ATOM 1174 N ARG A 78 7.170 -10.455 0.896 1.00 0.00 N ATOM 1175 CA ARG A 78 7.913 -11.709 0.924 1.00 0.00 C ATOM 1176 C ARG A 78 6.991 -12.881 1.248 1.00 0.00 C ATOM 1177 O ARG A 78 6.255 -12.851 2.233 1.00 0.00 O ATOM 1178 CB ARG A 78 9.042 -11.634 1.954 1.00 0.00 C ATOM 1179 CG ARG A 78 10.340 -11.073 1.396 1.00 0.00 C ATOM 1180 CD ARG A 78 11.519 -11.388 2.303 1.00 0.00 C ATOM 1181 NE ARG A 78 12.797 -11.082 1.667 1.00 0.00 N ATOM 1182 CZ ARG A 78 13.965 -11.530 2.111 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.017 -12.300 3.189 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.086 -11.207 1.477 1.00 0.00 N ATOM 0 H ARG A 78 6.852 -10.132 1.810 1.00 0.00 H new ATOM 0 HA ARG A 78 8.342 -11.870 -0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.718 -11.015 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.228 -12.632 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.521 -11.489 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.249 -9.993 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.428 -10.817 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.494 -12.443 2.577 1.00 0.00 H new ATOM 0 HE ARG A 78 12.792 -10.491 0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.158 -12.550 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.916 -12.643 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.050 -10.614 0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.983 -11.552 1.819 1.00 0.00 H new ATOM 1198 N GLY A 79 7.038 -13.913 0.411 1.00 0.00 N ATOM 1199 CA GLY A 79 6.202 -15.080 0.625 1.00 0.00 C ATOM 1200 C GLY A 79 5.118 -15.217 -0.426 1.00 0.00 C ATOM 1201 O GLY A 79 3.979 -15.568 -0.112 1.00 0.00 O ATOM 0 H GLY A 79 7.640 -13.962 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.824 -15.975 0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.742 -15.018 1.611 1.00 0.00 H new ATOM 1205 N LEU A 80 5.469 -14.938 -1.676 1.00 0.00 N ATOM 1206 CA LEU A 80 4.517 -15.031 -2.777 1.00 0.00 C ATOM 1207 C LEU A 80 4.118 -16.481 -3.032 1.00 0.00 C ATOM 1208 O LEU A 80 4.870 -17.245 -3.638 1.00 0.00 O ATOM 1209 CB LEU A 80 5.115 -14.423 -4.047 1.00 0.00 C ATOM 1210 CG LEU A 80 5.026 -12.902 -4.170 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.018 -12.391 -5.204 1.00 0.00 C ATOM 1212 CD2 LEU A 80 3.610 -12.478 -4.532 1.00 0.00 C ATOM 0 H LEU A 80 6.406 -14.645 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 80 3.623 -14.472 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.165 -14.711 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.615 -14.867 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 80 5.280 -12.463 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.940 -11.306 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.030 -12.663 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.796 -12.837 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.565 -11.392 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.328 -12.927 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.921 -12.811 -3.756 1.00 0.00 H new ATOM 1224 N VAL A 81 2.930 -16.853 -2.566 1.00 0.00 N ATOM 1225 CA VAL A 81 2.430 -18.211 -2.747 1.00 0.00 C ATOM 1226 C VAL A 81 1.084 -18.210 -3.463 1.00 0.00 C ATOM 1227 O VAL A 81 0.826 -19.053 -4.322 1.00 0.00 O ATOM 1228 CB VAL A 81 2.279 -18.937 -1.397 1.00 0.00 C ATOM 1229 CG1 VAL A 81 3.600 -18.940 -0.642 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.182 -18.292 -0.564 1.00 0.00 C ATOM 0 H VAL A 81 2.296 -16.234 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 81 3.163 -18.740 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 81 1.995 -19.971 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.474 -19.457 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.357 -19.452 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.916 -17.913 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.090 -18.818 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.433 -17.248 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.236 -18.347 -1.103 1.00 0.00 H new ATOM 1240 N ALA A 82 0.230 -17.257 -3.105 1.00 0.00 N ATOM 1241 CA ALA A 82 -1.089 -17.144 -3.716 1.00 0.00 C ATOM 1242 C ALA A 82 -1.925 -16.073 -3.024 1.00 0.00 C ATOM 1243 O ALA A 82 -2.777 -15.441 -3.646 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.806 -18.485 -3.674 1.00 0.00 C ATOM 0 H ALA A 82 0.428 -16.552 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.956 -16.848 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.790 -18.386 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.223 -19.227 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.920 -18.804 -2.638 1.00 0.00 H new ATOM 1250 N GLU A 83 -1.674 -15.875 -1.734 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.406 -14.880 -0.958 1.00 0.00 C ATOM 1252 C GLU A 83 -1.940 -13.469 -1.306 1.00 0.00 C ATOM 1253 O GLU A 83 -2.741 -12.535 -1.356 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.224 -15.134 0.540 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.212 -16.138 1.111 1.00 0.00 C ATOM 1256 CD GLU A 83 -3.021 -16.361 2.599 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -2.097 -15.752 3.178 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -3.797 -17.146 3.184 1.00 0.00 O ATOM 0 H GLU A 83 -0.970 -16.389 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.463 -14.967 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.210 -15.492 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.327 -14.190 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.228 -15.788 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.103 -17.088 0.588 1.00 0.00 H new ATOM 1265 N ASP A 84 -0.642 -13.323 -1.544 1.00 0.00 N ATOM 1266 CA ASP A 84 -0.068 -12.026 -1.887 1.00 0.00 C ATOM 1267 C ASP A 84 -0.743 -11.445 -3.126 1.00 0.00 C ATOM 1268 O ASP A 84 -0.847 -10.228 -3.274 1.00 0.00 O ATOM 1269 CB ASP A 84 1.437 -12.157 -2.125 1.00 0.00 C ATOM 1270 CG ASP A 84 2.213 -12.339 -0.835 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.659 -12.028 0.240 1.00 0.00 O ATOM 1272 OD2 ASP A 84 3.374 -12.794 -0.901 1.00 0.00 O ATOM 0 H ASP A 84 0.034 -14.086 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.237 -11.348 -1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.626 -13.006 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.799 -11.268 -2.641 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.198 -12.324 -4.013 1.00 0.00 N ATOM 1278 CA ALA A 85 -1.863 -11.898 -5.238 1.00 0.00 C ATOM 1279 C ALA A 85 -3.215 -11.262 -4.936 1.00 0.00 C ATOM 1280 O ALA A 85 -4.007 -11.801 -4.164 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.031 -13.077 -6.185 1.00 0.00 C ATOM 0 H ALA A 85 -1.118 -13.335 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.237 -11.146 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.529 -12.744 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.052 -13.485 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.633 -13.848 -5.703 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.474 -10.111 -5.550 1.00 0.00 N ATOM 1288 CA GLY A 86 -4.731 -9.420 -5.333 1.00 0.00 C ATOM 1289 C GLY A 86 -4.697 -7.986 -5.821 1.00 0.00 C ATOM 1290 O GLY A 86 -3.849 -7.621 -6.635 1.00 0.00 O ATOM 0 H GLY A 86 -2.835 -9.645 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.530 -9.956 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.970 -9.433 -4.270 1.00 0.00 H new ATOM 1294 N GLU A 87 -5.622 -7.171 -5.324 1.00 0.00 N ATOM 1295 CA GLU A 87 -5.694 -5.768 -5.718 1.00 0.00 C ATOM 1296 C GLU A 87 -5.222 -4.861 -4.586 1.00 0.00 C ATOM 1297 O GLU A 87 -5.796 -4.858 -3.497 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.125 -5.401 -6.117 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.304 -3.930 -6.453 1.00 0.00 C ATOM 1300 CD GLU A 87 -8.748 -3.570 -6.746 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.533 -4.485 -7.073 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.092 -2.374 -6.648 1.00 0.00 O ATOM 0 H GLU A 87 -6.331 -7.457 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.036 -5.623 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.418 -6.000 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.799 -5.664 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.944 -3.325 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.689 -3.681 -7.318 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.171 -4.092 -4.852 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.619 -3.182 -3.855 1.00 0.00 C ATOM 1311 C TYR A 88 -4.139 -1.763 -4.066 1.00 0.00 C ATOM 1312 O TYR A 88 -4.707 -1.446 -5.111 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.091 -3.191 -3.918 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.471 -4.470 -3.400 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.667 -5.677 -4.061 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.690 -4.471 -2.251 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.104 -6.847 -3.591 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.121 -5.637 -1.775 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.332 -6.822 -2.448 1.00 0.00 C ATOM 1320 OH TYR A 88 0.232 -7.986 -1.978 1.00 0.00 O ATOM 0 H TYR A 88 -3.685 -4.081 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.938 -3.524 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.777 -3.037 -4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.707 -2.351 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.270 -5.700 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.525 -3.545 -1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.267 -7.777 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.485 -5.620 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.150 -8.751 -2.456 1.00 0.00 H new ATOM 1330 N LEU A 89 -3.940 -0.913 -3.065 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.387 0.474 -3.138 1.00 0.00 C ATOM 1332 C LEU A 89 -3.375 1.408 -2.482 1.00 0.00 C ATOM 1333 O LEU A 89 -2.480 0.963 -1.763 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.751 0.626 -2.463 1.00 0.00 C ATOM 1335 CG LEU A 89 -6.839 1.308 -3.294 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.020 0.372 -3.498 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.289 2.600 -2.627 1.00 0.00 C ATOM 0 H LEU A 89 -3.472 -1.160 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.476 0.747 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.106 -0.365 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.617 1.193 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.423 1.553 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.784 0.874 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.687 -0.525 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.436 0.095 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.063 3.071 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.687 2.379 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.439 3.276 -2.534 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.525 2.704 -2.734 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.624 3.701 -2.167 1.00 0.00 C ATOM 1351 C CYS A 90 -3.279 5.079 -2.153 1.00 0.00 C ATOM 1352 O CYS A 90 -3.148 5.849 -3.104 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.319 3.752 -2.962 1.00 0.00 C ATOM 1354 SG CYS A 90 0.122 4.243 -1.986 1.00 0.00 S ATOM 0 H CYS A 90 -4.261 3.088 -3.326 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.403 3.412 -1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.132 2.770 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.438 4.450 -3.791 1.00 0.00 H new ATOM 0 HG CYS A 90 1.136 4.437 -2.776 1.00 0.00 H new ATOM 1360 N MET A 91 -3.985 5.382 -1.068 1.00 0.00 N ATOM 1361 CA MET A 91 -4.661 6.667 -0.931 1.00 0.00 C ATOM 1362 C MET A 91 -3.746 7.694 -0.273 1.00 0.00 C ATOM 1363 O MET A 91 -3.145 7.427 0.768 1.00 0.00 O ATOM 1364 CB MET A 91 -5.943 6.508 -0.111 1.00 0.00 C ATOM 1365 CG MET A 91 -6.817 5.351 -0.567 1.00 0.00 C ATOM 1366 SD MET A 91 -8.518 5.496 0.012 1.00 0.00 S ATOM 1367 CE MET A 91 -8.615 4.100 1.130 1.00 0.00 C ATOM 0 H MET A 91 -4.104 4.756 -0.272 1.00 0.00 H new ATOM 0 HA MET A 91 -4.919 7.023 -1.929 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.679 6.362 0.936 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.518 7.432 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.811 5.303 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.392 4.415 -0.204 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.655 3.925 1.404 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.215 3.213 0.640 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.034 4.312 2.028 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.646 8.869 -0.885 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.803 9.936 -0.359 1.00 0.00 C ATOM 1379 C CYS A 92 -3.572 11.251 -0.286 1.00 0.00 C ATOM 1380 O CYS A 92 -3.637 11.999 -1.261 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.557 10.108 -1.230 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.442 11.417 -0.673 1.00 0.00 S ATOM 0 H CYS A 92 -4.138 9.107 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.497 9.658 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.010 9.165 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.868 10.321 -2.253 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.102 12.532 -0.565 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.156 11.526 0.876 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.916 12.750 1.054 1.00 0.00 C ATOM 1390 C GLY A 93 -6.293 12.674 0.425 1.00 0.00 C ATOM 1391 O GLY A 93 -7.282 12.408 1.107 1.00 0.00 O ATOM 0 H GLY A 93 -4.117 10.923 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.017 12.959 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.365 13.583 0.616 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.358 12.911 -0.881 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.624 12.869 -1.604 1.00 0.00 C ATOM 1397 C LYS A 94 -7.570 11.851 -2.738 1.00 0.00 C ATOM 1398 O LYS A 94 -8.423 10.969 -2.833 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.962 14.253 -2.163 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.412 14.654 -1.958 1.00 0.00 C ATOM 1401 CD LYS A 94 -9.730 14.868 -0.488 1.00 0.00 C ATOM 1402 CE LYS A 94 -10.976 15.720 -0.305 1.00 0.00 C ATOM 1403 NZ LYS A 94 -11.371 15.824 1.128 1.00 0.00 N ATOM 0 H LYS A 94 -5.549 13.134 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.403 12.566 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.318 14.994 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.736 14.270 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.619 15.569 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.065 13.881 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.873 13.903 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.884 15.349 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.796 16.718 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.798 15.290 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.224 16.413 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.568 14.874 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.597 16.258 1.671 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.560 11.978 -3.594 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.396 11.067 -4.721 1.00 0.00 C ATOM 1419 C GLU A 95 -6.026 9.667 -4.239 1.00 0.00 C ATOM 1420 O GLU A 95 -5.637 9.478 -3.087 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.320 11.591 -5.675 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.688 12.904 -6.345 1.00 0.00 C ATOM 1423 CD GLU A 95 -7.098 12.899 -6.904 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.372 12.090 -7.815 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -7.926 13.704 -6.430 1.00 0.00 O ATOM 0 H GLU A 95 -5.844 12.702 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.346 11.010 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.390 11.723 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.131 10.841 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.590 13.715 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.982 13.107 -7.151 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.151 8.689 -5.130 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.833 7.306 -4.797 1.00 0.00 C ATOM 1434 C ARG A 96 -5.678 6.464 -6.060 1.00 0.00 C ATOM 1435 O ARG A 96 -6.159 6.836 -7.130 1.00 0.00 O ATOM 1436 CB ARG A 96 -6.923 6.710 -3.904 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.331 6.943 -4.425 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.342 6.058 -3.713 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.556 6.789 -3.359 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.493 7.128 -4.237 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.357 6.803 -5.515 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.569 7.793 -3.837 1.00 0.00 N ATOM 0 H ARG A 96 -6.470 8.829 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.886 7.298 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.754 5.638 -3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.838 7.139 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.602 7.990 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.362 6.743 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.600 5.215 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.891 5.646 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.692 7.054 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.531 6.291 -5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.078 7.065 -6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.677 8.044 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.288 8.053 -4.512 1.00 0.00 H new ATOM 1456 N THR A 97 -5.001 5.327 -5.927 1.00 0.00 N ATOM 1457 CA THR A 97 -4.781 4.433 -7.057 1.00 0.00 C ATOM 1458 C THR A 97 -4.796 2.974 -6.615 1.00 0.00 C ATOM 1459 O THR A 97 -4.617 2.671 -5.435 1.00 0.00 O ATOM 1460 CB THR A 97 -3.442 4.732 -7.757 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.219 3.789 -8.812 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.289 4.673 -6.766 1.00 0.00 C ATOM 0 H THR A 97 -4.596 5.004 -5.048 1.00 0.00 H new ATOM 0 HA THR A 97 -5.596 4.605 -7.760 1.00 0.00 H new ATOM 0 HB THR A 97 -3.492 5.738 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.834 4.250 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.354 4.887 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.447 5.411 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.240 3.678 -6.324 1.00 0.00 H new ATOM 1470 N SER A 98 -5.011 2.074 -7.569 1.00 0.00 N ATOM 1471 CA SER A 98 -5.052 0.646 -7.277 1.00 0.00 C ATOM 1472 C SER A 98 -4.509 -0.165 -8.450 1.00 0.00 C ATOM 1473 O SER A 98 -4.737 0.174 -9.611 1.00 0.00 O ATOM 1474 CB SER A 98 -6.484 0.210 -6.960 1.00 0.00 C ATOM 1475 OG SER A 98 -7.426 1.004 -7.662 1.00 0.00 O ATOM 0 H SER A 98 -5.159 2.308 -8.551 1.00 0.00 H new ATOM 0 HA SER A 98 -4.422 0.460 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.616 -0.838 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.663 0.290 -5.888 1.00 0.00 H new ATOM 0 HG SER A 98 -8.333 0.705 -7.444 1.00 0.00 H new ATOM 1481 N ALA A 99 -3.790 -1.237 -8.137 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.215 -2.098 -9.163 1.00 0.00 C ATOM 1483 C ALA A 99 -3.461 -3.569 -8.847 1.00 0.00 C ATOM 1484 O ALA A 99 -3.741 -3.929 -7.704 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.725 -1.828 -9.305 1.00 0.00 C ATOM 0 H ALA A 99 -3.591 -1.530 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.705 -1.870 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.309 -2.478 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.569 -0.787 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.227 -2.025 -8.356 1.00 0.00 H new ATOM 1491 N MET A 100 -3.355 -4.415 -9.866 1.00 0.00 N ATOM 1492 CA MET A 100 -3.566 -5.848 -9.695 1.00 0.00 C ATOM 1493 C MET A 100 -2.239 -6.600 -9.726 1.00 0.00 C ATOM 1494 O MET A 100 -1.413 -6.387 -10.615 1.00 0.00 O ATOM 1495 CB MET A 100 -4.493 -6.383 -10.788 1.00 0.00 C ATOM 1496 CG MET A 100 -5.966 -6.119 -10.518 1.00 0.00 C ATOM 1497 SD MET A 100 -6.940 -7.634 -10.440 1.00 0.00 S ATOM 1498 CE MET A 100 -6.356 -8.333 -8.898 1.00 0.00 C ATOM 0 H MET A 100 -3.124 -4.133 -10.819 1.00 0.00 H new ATOM 0 HA MET A 100 -4.032 -6.008 -8.723 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.219 -5.928 -11.740 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.338 -7.457 -10.891 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.068 -5.577 -9.577 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.365 -5.475 -11.301 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.106 -9.017 -8.502 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.427 -8.875 -9.073 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.179 -7.533 -8.179 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.040 -7.479 -8.750 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.812 -8.262 -8.664 1.00 0.00 C ATOM 1510 C LEU A 101 -1.075 -9.725 -9.008 1.00 0.00 C ATOM 1511 O LEU A 101 -1.943 -10.367 -8.417 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.212 -8.156 -7.261 1.00 0.00 C ATOM 1513 CG LEU A 101 1.130 -8.858 -7.050 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.265 -8.026 -7.626 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.362 -9.130 -5.571 1.00 0.00 C ATOM 0 H LEU A 101 -2.713 -7.667 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.102 -7.859 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.089 -7.100 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.929 -8.565 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 101 1.105 -9.813 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.212 -8.542 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.105 -7.883 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.293 -7.056 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.322 -9.630 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.366 -8.187 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.565 -9.768 -5.189 1.00 0.00 H new ATOM 1527 N THR A 102 -0.317 -10.248 -9.967 1.00 0.00 N ATOM 1528 CA THR A 102 -0.466 -11.635 -10.389 1.00 0.00 C ATOM 1529 C THR A 102 0.674 -12.497 -9.858 1.00 0.00 C ATOM 1530 O THR A 102 1.822 -12.057 -9.797 1.00 0.00 O ATOM 1531 CB THR A 102 -0.513 -11.753 -11.924 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.552 -10.919 -12.448 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.749 -13.194 -12.349 1.00 0.00 C ATOM 0 H THR A 102 0.407 -9.731 -10.466 1.00 0.00 H new ATOM 0 HA THR A 102 -1.410 -11.992 -9.976 1.00 0.00 H new ATOM 0 HB THR A 102 0.448 -11.427 -12.321 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.574 -10.998 -13.425 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.778 -13.252 -13.437 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.060 -13.821 -11.974 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.698 -13.543 -11.941 1.00 0.00 H new ATOM 1541 N VAL A 103 0.350 -13.728 -9.476 1.00 0.00 N ATOM 1542 CA VAL A 103 1.348 -14.653 -8.952 1.00 0.00 C ATOM 1543 C VAL A 103 1.315 -15.979 -9.703 1.00 0.00 C ATOM 1544 O VAL A 103 0.426 -16.804 -9.490 1.00 0.00 O ATOM 1545 CB VAL A 103 1.131 -14.921 -7.451 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.178 -15.891 -6.925 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.160 -13.617 -6.668 1.00 0.00 C ATOM 0 H VAL A 103 -0.596 -14.108 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 103 2.321 -14.182 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 103 0.149 -15.376 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.009 -16.068 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.105 -16.834 -7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.172 -15.467 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.005 -13.825 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.126 -13.132 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.369 -12.959 -7.028 1.00 0.00 H new ATOM 1557 N ARG A 104 2.291 -16.178 -10.583 1.00 0.00 N ATOM 1558 CA ARG A 104 2.374 -17.405 -11.367 1.00 0.00 C ATOM 1559 C ARG A 104 2.681 -18.602 -10.473 1.00 0.00 C ATOM 1560 O ARG A 104 2.713 -18.483 -9.248 1.00 0.00 O ATOM 1561 CB ARG A 104 3.450 -17.273 -12.447 1.00 0.00 C ATOM 1562 CG ARG A 104 3.235 -16.093 -13.380 1.00 0.00 C ATOM 1563 CD ARG A 104 2.101 -16.356 -14.359 1.00 0.00 C ATOM 1564 NE ARG A 104 2.572 -17.002 -15.581 1.00 0.00 N ATOM 1565 CZ ARG A 104 3.213 -16.360 -16.551 1.00 0.00 C ATOM 1566 NH1 ARG A 104 3.460 -15.062 -16.442 1.00 0.00 N ATOM 1567 NH2 ARG A 104 3.610 -17.017 -17.634 1.00 0.00 N ATOM 0 H ARG A 104 3.035 -15.506 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 104 1.407 -17.568 -11.844 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.424 -17.173 -11.967 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.477 -18.190 -13.035 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.012 -15.201 -12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.154 -15.891 -13.931 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.349 -16.986 -13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.614 -15.414 -14.611 1.00 0.00 H new ATOM 0 HE ARG A 104 2.399 -18.001 -15.696 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.158 -14.553 -15.611 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.953 -14.572 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.423 -18.016 -17.722 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.102 -16.523 -18.378 1.00 0.00 H new ATOM 1581 N ALA A 105 2.904 -19.756 -11.093 1.00 0.00 N ATOM 1582 CA ALA A 105 3.209 -20.975 -10.354 1.00 0.00 C ATOM 1583 C ALA A 105 4.629 -21.450 -10.640 1.00 0.00 C ATOM 1584 O ALA A 105 5.077 -21.441 -11.787 1.00 0.00 O ATOM 1585 CB ALA A 105 2.206 -22.065 -10.698 1.00 0.00 C ATOM 0 H ALA A 105 2.879 -19.872 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 105 3.136 -20.753 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.446 -22.970 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.202 -21.732 -10.435 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.250 -22.276 -11.766 1.00 0.00 H new ATOM 1591 N MET A 106 5.333 -21.864 -9.592 1.00 0.00 N ATOM 1592 CA MET A 106 6.703 -22.343 -9.732 1.00 0.00 C ATOM 1593 C MET A 106 6.787 -23.449 -10.780 1.00 0.00 C ATOM 1594 O MET A 106 5.791 -24.080 -11.133 1.00 0.00 O ATOM 1595 CB MET A 106 7.226 -22.856 -8.389 1.00 0.00 C ATOM 1596 CG MET A 106 8.016 -21.818 -7.608 1.00 0.00 C ATOM 1597 SD MET A 106 9.057 -22.553 -6.333 1.00 0.00 S ATOM 1598 CE MET A 106 7.826 -23.028 -5.122 1.00 0.00 C ATOM 0 H MET A 106 4.977 -21.877 -8.636 1.00 0.00 H new ATOM 0 HA MET A 106 7.322 -21.508 -10.060 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.383 -23.190 -7.784 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.858 -23.727 -8.563 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.640 -21.248 -8.297 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.325 -21.113 -7.146 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.316 -23.499 -4.270 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.285 -22.143 -4.786 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.126 -23.732 -5.572 1.00 0.00 H new ATOM 1608 N PRO A 107 8.004 -23.690 -11.290 1.00 0.00 N ATOM 1609 CA PRO A 107 8.247 -24.720 -12.305 1.00 0.00 C ATOM 1610 C PRO A 107 8.093 -26.131 -11.747 1.00 0.00 C ATOM 1611 O PRO A 107 8.976 -26.633 -11.051 1.00 0.00 O ATOM 1612 CB PRO A 107 9.696 -24.467 -12.727 1.00 0.00 C ATOM 1613 CG PRO A 107 10.322 -23.799 -11.552 1.00 0.00 C ATOM 1614 CD PRO A 107 9.236 -22.976 -10.916 1.00 0.00 C ATOM 0 HA PRO A 107 7.533 -24.660 -13.126 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.206 -25.399 -12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.745 -23.836 -13.614 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.717 -24.534 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.158 -23.171 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.355 -22.920 -9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.236 -21.952 -11.290 1.00 0.00 H new