USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 68 ASN :FLIP amide:sc= 0.0335 F(o=-1.5,f=0.055) USER MOD Set 1.2: A 70 THR OG1 : rot 15:sc= 0.0214 USER MOD Set 2.1: A 28 SER OG : rot -130:sc= 0.876 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.129 K(o=1,f=-0.4) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.244 X(o=-0.86,f=-0.77) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.616! X(o=-0.86!,f=-0.77) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0186 F(o=-0.85,f=-0.019) USER MOD Single : A 19 ASN : amide:sc= -0.708 K(o=-0.71,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0234 (180deg=-0.172) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.12! USER MOD Single : A 41 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 44 MET CE :methyl -153:sc= -0.116 (180deg=-1.33) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0445 (180deg=-0.307) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0336 USER MOD Single : A 48 CYS SG : rot 81:sc= 1.16 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 135:sc= -0.0234 (180deg=-1.13) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00417 F(o=-0.82,f=-0.0042) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 75 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.54) USER MOD Single : A 78 MET CE :methyl 129:sc= -2.53! (180deg=-3.15!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.706 11.385 9.571 1.00 0.00 N ATOM 243 CA HIS A 17 -6.195 10.375 8.681 1.00 0.00 C ATOM 244 C HIS A 17 -7.282 9.363 8.396 1.00 0.00 C ATOM 245 O HIS A 17 -8.233 9.234 9.162 1.00 0.00 O ATOM 246 CB HIS A 17 -4.932 9.705 9.257 1.00 0.00 C ATOM 247 CG HIS A 17 -5.129 8.983 10.551 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.374 7.686 10.797 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 -5.083 9.600 11.777 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -5.480 7.537 12.158 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 -5.297 8.713 12.723 1.00 0.00 N flip ATOM 0 HA HIS A 17 -5.898 10.845 7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.546 9.000 8.521 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.167 10.469 9.398 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.899 10.652 11.939 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.680 6.612 12.678 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.318 8.903 13.725 1.00 0.00 H new ATOM 260 N ILE A 18 -7.147 8.642 7.313 1.00 0.00 N ATOM 261 CA ILE A 18 -8.184 7.717 6.891 1.00 0.00 C ATOM 262 C ILE A 18 -7.726 6.273 6.940 1.00 0.00 C ATOM 263 O ILE A 18 -6.547 5.977 7.140 1.00 0.00 O ATOM 264 CB ILE A 18 -8.707 8.038 5.477 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.564 8.015 4.449 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.408 9.390 5.473 1.00 0.00 C ATOM 267 CD1 ILE A 18 -8.032 8.098 3.012 1.00 0.00 C ATOM 0 H ILE A 18 -6.331 8.673 6.702 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.997 7.846 7.605 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.426 7.270 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.890 8.848 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.988 7.099 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.774 9.607 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.247 9.367 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.705 10.165 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.169 8.076 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.682 7.251 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.583 9.027 2.862 1.00 0.00 H new ATOM 279 N ASN A 19 -8.672 5.372 6.780 1.00 0.00 N ATOM 280 CA ASN A 19 -8.401 3.949 6.801 1.00 0.00 C ATOM 281 C ASN A 19 -8.276 3.433 5.383 1.00 0.00 C ATOM 282 O ASN A 19 -8.986 3.877 4.499 1.00 0.00 O ATOM 283 CB ASN A 19 -9.541 3.197 7.502 1.00 0.00 C ATOM 284 CG ASN A 19 -9.873 3.760 8.868 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.290 3.366 9.871 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.833 4.670 8.917 1.00 0.00 N ATOM 0 H ASN A 19 -9.654 5.606 6.631 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.471 3.783 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.432 3.233 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.266 2.147 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.112 5.070 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.294 4.972 8.059 1.00 0.00 H new ATOM 293 N LEU A 20 -7.362 2.532 5.161 1.00 0.00 N ATOM 294 CA LEU A 20 -7.203 1.908 3.859 1.00 0.00 C ATOM 295 C LEU A 20 -7.095 0.408 4.003 1.00 0.00 C ATOM 296 O LEU A 20 -6.842 -0.112 5.095 1.00 0.00 O ATOM 297 CB LEU A 20 -5.975 2.454 3.115 1.00 0.00 C ATOM 298 CG LEU A 20 -6.237 3.580 2.103 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.349 3.195 1.139 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.560 4.884 2.804 1.00 0.00 C ATOM 0 H LEU A 20 -6.704 2.204 5.868 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.088 2.149 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.261 2.818 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.497 1.627 2.590 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.323 3.728 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.516 4.008 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.063 2.295 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.266 3.006 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.740 5.661 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.451 4.756 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.721 5.174 3.437 1.00 0.00 H new ATOM 312 N LYS A 21 -7.306 -0.293 2.914 1.00 0.00 N ATOM 313 CA LYS A 21 -7.223 -1.733 2.897 1.00 0.00 C ATOM 314 C LYS A 21 -6.467 -2.193 1.677 1.00 0.00 C ATOM 315 O LYS A 21 -6.518 -1.563 0.629 1.00 0.00 O ATOM 316 CB LYS A 21 -8.619 -2.341 2.890 1.00 0.00 C ATOM 317 CG LYS A 21 -9.413 -2.054 4.138 1.00 0.00 C ATOM 318 CD LYS A 21 -10.880 -2.424 3.974 1.00 0.00 C ATOM 319 CE LYS A 21 -11.060 -3.913 3.741 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.487 -4.281 3.601 1.00 0.00 N ATOM 0 H LYS A 21 -7.541 0.122 2.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.695 -2.061 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.166 -1.962 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.535 -3.420 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.989 -2.611 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.331 -0.996 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.433 -2.126 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.304 -1.871 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.519 -4.208 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.622 -4.466 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.567 -5.306 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.999 -4.023 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.899 -3.773 2.792 1.00 0.00 H new ATOM 334 N VAL A 22 -5.769 -3.289 1.802 1.00 0.00 N ATOM 335 CA VAL A 22 -5.027 -3.844 0.681 1.00 0.00 C ATOM 336 C VAL A 22 -5.395 -5.294 0.473 1.00 0.00 C ATOM 337 O VAL A 22 -5.152 -6.143 1.335 1.00 0.00 O ATOM 338 CB VAL A 22 -3.492 -3.726 0.855 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.783 -4.435 -0.272 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.060 -2.272 0.894 1.00 0.00 C ATOM 0 H VAL A 22 -5.693 -3.823 2.667 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.305 -3.255 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.224 -4.194 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.705 -4.345 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.062 -5.489 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.069 -3.985 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.978 -2.217 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.345 -1.783 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.546 -1.770 1.731 1.00 0.00 H new ATOM 350 N ALA A 23 -5.995 -5.574 -0.658 1.00 0.00 N ATOM 351 CA ALA A 23 -6.390 -6.911 -1.000 1.00 0.00 C ATOM 352 C ALA A 23 -5.290 -7.587 -1.775 1.00 0.00 C ATOM 353 O ALA A 23 -4.814 -7.077 -2.782 1.00 0.00 O ATOM 354 CB ALA A 23 -7.677 -6.905 -1.801 1.00 0.00 C ATOM 0 H ALA A 23 -6.222 -4.876 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.569 -7.467 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.956 -7.929 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.470 -6.445 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.531 -6.337 -2.720 1.00 0.00 H new ATOM 360 N GLY A 24 -4.890 -8.736 -1.316 1.00 0.00 N ATOM 361 CA GLY A 24 -3.847 -9.452 -1.963 1.00 0.00 C ATOM 362 C GLY A 24 -4.399 -10.401 -2.992 1.00 0.00 C ATOM 363 O GLY A 24 -5.591 -10.710 -2.986 1.00 0.00 O ATOM 0 H GLY A 24 -5.277 -9.194 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.162 -8.751 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.270 -10.008 -1.224 1.00 0.00 H new ATOM 367 N GLN A 25 -3.544 -10.891 -3.864 1.00 0.00 N ATOM 368 CA GLN A 25 -3.966 -11.830 -4.900 1.00 0.00 C ATOM 369 C GLN A 25 -4.365 -13.174 -4.289 1.00 0.00 C ATOM 370 O GLN A 25 -4.997 -14.005 -4.930 1.00 0.00 O ATOM 371 CB GLN A 25 -2.864 -11.994 -5.967 1.00 0.00 C ATOM 372 CG GLN A 25 -1.504 -12.432 -5.428 1.00 0.00 C ATOM 373 CD GLN A 25 -1.443 -13.907 -5.070 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.089 -14.739 -5.699 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.686 -14.228 -4.046 1.00 0.00 N ATOM 0 H GLN A 25 -2.551 -10.659 -3.882 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.848 -11.424 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.198 -12.724 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.742 -11.046 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.739 -12.215 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.264 -11.841 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.165 -13.505 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.619 -15.201 -3.746 1.00 0.00 H new ATOM 384 N ASP A 26 -3.998 -13.373 -3.028 1.00 0.00 N ATOM 385 CA ASP A 26 -4.306 -14.603 -2.314 1.00 0.00 C ATOM 386 C ASP A 26 -5.734 -14.565 -1.773 1.00 0.00 C ATOM 387 O ASP A 26 -6.281 -15.575 -1.346 1.00 0.00 O ATOM 388 CB ASP A 26 -3.313 -14.809 -1.170 1.00 0.00 C ATOM 389 CG ASP A 26 -3.490 -16.144 -0.477 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.930 -17.143 -0.961 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.183 -16.196 0.554 1.00 0.00 O ATOM 0 H ASP A 26 -3.481 -12.689 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.222 -15.438 -3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.297 -14.738 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.433 -14.007 -0.441 1.00 0.00 H new ATOM 396 N GLY A 27 -6.342 -13.391 -1.801 1.00 0.00 N ATOM 397 CA GLY A 27 -7.707 -13.258 -1.317 1.00 0.00 C ATOM 398 C GLY A 27 -7.779 -12.731 0.103 1.00 0.00 C ATOM 399 O GLY A 27 -8.832 -12.751 0.733 1.00 0.00 O ATOM 0 H GLY A 27 -5.921 -12.529 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.258 -12.587 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.201 -14.229 -1.365 1.00 0.00 H new ATOM 403 N SER A 28 -6.667 -12.254 0.615 1.00 0.00 N ATOM 404 CA SER A 28 -6.625 -11.710 1.949 1.00 0.00 C ATOM 405 C SER A 28 -6.546 -10.216 1.867 1.00 0.00 C ATOM 406 O SER A 28 -6.042 -9.665 0.898 1.00 0.00 O ATOM 407 CB SER A 28 -5.427 -12.265 2.722 1.00 0.00 C ATOM 408 OG SER A 28 -5.335 -11.706 4.025 1.00 0.00 O ATOM 0 H SER A 28 -5.775 -12.233 0.122 1.00 0.00 H new ATOM 0 HA SER A 28 -7.531 -11.998 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.513 -13.349 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.510 -12.055 2.171 1.00 0.00 H new ATOM 0 HG SER A 28 -4.422 -11.386 4.180 1.00 0.00 H new ATOM 414 N VAL A 29 -7.041 -9.554 2.866 1.00 0.00 N ATOM 415 CA VAL A 29 -7.033 -8.117 2.876 1.00 0.00 C ATOM 416 C VAL A 29 -6.615 -7.594 4.241 1.00 0.00 C ATOM 417 O VAL A 29 -7.023 -8.124 5.276 1.00 0.00 O ATOM 418 CB VAL A 29 -8.418 -7.535 2.481 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.465 -7.820 3.550 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.327 -6.042 2.203 1.00 0.00 C ATOM 0 H VAL A 29 -7.459 -9.985 3.691 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.306 -7.789 2.133 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.731 -8.033 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.423 -7.399 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.567 -8.897 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.156 -7.367 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.311 -5.662 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.975 -5.526 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.629 -5.866 1.384 1.00 0.00 H new ATOM 430 N VAL A 30 -5.774 -6.591 4.251 1.00 0.00 N ATOM 431 CA VAL A 30 -5.333 -5.993 5.491 1.00 0.00 C ATOM 432 C VAL A 30 -6.011 -4.646 5.697 1.00 0.00 C ATOM 433 O VAL A 30 -6.234 -3.899 4.744 1.00 0.00 O ATOM 434 CB VAL A 30 -3.790 -5.809 5.514 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.335 -4.839 4.432 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.312 -5.351 6.886 1.00 0.00 C ATOM 0 H VAL A 30 -5.378 -6.168 3.412 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.610 -6.668 6.301 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.340 -6.780 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.251 -4.731 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.625 -5.223 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.803 -3.868 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.229 -5.231 6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.780 -4.399 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.585 -6.096 7.634 1.00 0.00 H new ATOM 446 N GLN A 31 -6.371 -4.348 6.930 1.00 0.00 N ATOM 447 CA GLN A 31 -6.996 -3.087 7.259 1.00 0.00 C ATOM 448 C GLN A 31 -6.028 -2.245 8.071 1.00 0.00 C ATOM 449 O GLN A 31 -5.485 -2.701 9.077 1.00 0.00 O ATOM 450 CB GLN A 31 -8.266 -3.329 8.041 1.00 0.00 C ATOM 451 CG GLN A 31 -9.036 -4.538 7.552 1.00 0.00 C ATOM 452 CD GLN A 31 -10.388 -4.656 8.178 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.551 -5.258 9.236 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.369 -4.091 7.529 1.00 0.00 N ATOM 0 H GLN A 31 -6.238 -4.971 7.727 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.251 -2.556 6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.019 -3.463 9.094 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.903 -2.447 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.146 -4.479 6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.462 -5.440 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.186 -3.601 6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.319 -4.139 7.898 1.00 0.00 H new ATOM 463 N PHE A 32 -5.803 -1.031 7.637 1.00 0.00 N ATOM 464 CA PHE A 32 -4.832 -0.156 8.278 1.00 0.00 C ATOM 465 C PHE A 32 -5.222 1.302 8.160 1.00 0.00 C ATOM 466 O PHE A 32 -6.125 1.663 7.416 1.00 0.00 O ATOM 467 CB PHE A 32 -3.436 -0.367 7.688 1.00 0.00 C ATOM 468 CG PHE A 32 -3.381 -0.216 6.190 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.900 -1.200 5.365 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.826 0.913 5.611 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.869 -1.065 4.003 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.792 1.052 4.243 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.314 0.063 3.435 1.00 0.00 C ATOM 0 H PHE A 32 -6.279 -0.616 6.836 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.818 -0.418 9.336 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.748 0.347 8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.085 -1.363 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.335 -2.086 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.417 1.691 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.279 -1.841 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.356 1.936 3.801 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.288 0.172 2.361 1.00 0.00 H new ATOM 483 N LYS A 33 -4.538 2.144 8.907 1.00 0.00 N ATOM 484 CA LYS A 33 -4.810 3.561 8.898 1.00 0.00 C ATOM 485 C LYS A 33 -3.603 4.329 8.375 1.00 0.00 C ATOM 486 O LYS A 33 -2.467 4.056 8.758 1.00 0.00 O ATOM 487 CB LYS A 33 -5.174 4.032 10.304 1.00 0.00 C ATOM 488 CG LYS A 33 -6.250 3.182 10.957 1.00 0.00 C ATOM 489 CD LYS A 33 -6.805 3.834 12.218 1.00 0.00 C ATOM 490 CE LYS A 33 -5.765 3.897 13.326 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.371 2.544 13.803 1.00 0.00 N ATOM 0 H LYS A 33 -3.783 1.865 9.533 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.653 3.753 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.280 4.019 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.515 5.066 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.061 3.016 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.838 2.204 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.149 4.842 11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.673 3.273 12.565 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.882 4.424 12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.161 4.474 14.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.852 2.630 14.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.223 1.966 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.762 2.089 13.093 1.00 0.00 H new ATOM 505 N ILE A 34 -3.845 5.284 7.494 1.00 0.00 N ATOM 506 CA ILE A 34 -2.775 6.078 6.913 1.00 0.00 C ATOM 507 C ILE A 34 -3.209 7.545 6.785 1.00 0.00 C ATOM 508 O ILE A 34 -4.392 7.845 6.586 1.00 0.00 O ATOM 509 CB ILE A 34 -2.340 5.514 5.523 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.159 6.310 4.952 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.510 5.516 4.550 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.578 5.725 3.679 1.00 0.00 C ATOM 0 H ILE A 34 -4.778 5.530 7.164 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.915 6.022 7.580 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.015 4.483 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.484 7.331 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.373 6.366 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.184 5.119 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.313 4.895 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.872 6.536 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.252 6.345 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.220 4.714 3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.348 5.695 2.908 1.00 0.00 H new ATOM 524 N LYS A 35 -2.267 8.464 6.930 1.00 0.00 N ATOM 525 CA LYS A 35 -2.579 9.879 6.839 1.00 0.00 C ATOM 526 C LYS A 35 -2.626 10.324 5.400 1.00 0.00 C ATOM 527 O LYS A 35 -2.039 9.699 4.525 1.00 0.00 O ATOM 528 CB LYS A 35 -1.571 10.722 7.604 1.00 0.00 C ATOM 529 CG LYS A 35 -1.258 10.199 8.991 1.00 0.00 C ATOM 530 CD LYS A 35 -0.860 11.333 9.932 1.00 0.00 C ATOM 531 CE LYS A 35 0.356 12.085 9.413 1.00 0.00 C ATOM 532 NZ LYS A 35 0.646 13.300 10.212 1.00 0.00 N ATOM 0 H LYS A 35 -1.285 8.255 7.110 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.561 10.024 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.646 10.775 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.953 11.740 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.128 9.679 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.450 9.470 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.696 12.024 10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.645 10.928 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.224 11.425 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.190 12.367 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.482 13.780 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.171 13.943 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.830 13.030 11.199 1.00 0.00 H new ATOM 546 N ARG A 36 -3.317 11.418 5.158 1.00 0.00 N ATOM 547 CA ARG A 36 -3.489 11.951 3.817 1.00 0.00 C ATOM 548 C ARG A 36 -2.148 12.377 3.221 1.00 0.00 C ATOM 549 O ARG A 36 -1.872 12.150 2.043 1.00 0.00 O ATOM 550 CB ARG A 36 -4.445 13.154 3.843 1.00 0.00 C ATOM 551 CG ARG A 36 -5.662 12.984 4.752 1.00 0.00 C ATOM 552 CD ARG A 36 -6.406 11.681 4.488 1.00 0.00 C ATOM 553 NE ARG A 36 -6.802 11.534 3.091 1.00 0.00 N ATOM 554 CZ ARG A 36 -8.055 11.678 2.640 1.00 0.00 C ATOM 555 NH1 ARG A 36 -9.035 12.029 3.472 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.321 11.488 1.353 1.00 0.00 N ATOM 0 H ARG A 36 -3.777 11.966 5.885 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.913 11.163 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.889 14.035 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.791 13.348 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.341 13.012 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.342 13.823 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.772 10.841 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.293 11.639 5.120 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.076 11.306 2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.833 12.190 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.987 12.137 3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.572 11.233 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.275 11.597 1.008 1.00 0.00 H new ATOM 570 N HIS A 37 -1.306 12.975 4.050 1.00 0.00 N ATOM 571 CA HIS A 37 -0.005 13.465 3.611 1.00 0.00 C ATOM 572 C HIS A 37 1.074 12.405 3.831 1.00 0.00 C ATOM 573 O HIS A 37 2.265 12.652 3.649 1.00 0.00 O ATOM 574 CB HIS A 37 0.346 14.748 4.374 1.00 0.00 C ATOM 575 CG HIS A 37 1.587 15.432 3.887 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.674 15.686 4.691 1.00 0.00 N ATOM 577 CD2 HIS A 37 1.908 15.916 2.667 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.605 16.295 3.989 1.00 0.00 C ATOM 579 NE2 HIS A 37 3.166 16.444 2.761 1.00 0.00 N ATOM 0 H HIS A 37 -1.501 13.134 5.038 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.053 13.683 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.491 15.442 4.300 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.468 14.508 5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.288 15.891 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.567 16.617 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.681 16.884 1.998 1.00 0.00 H new ATOM 588 N THR A 38 0.657 11.223 4.196 1.00 0.00 N ATOM 589 CA THR A 38 1.574 10.152 4.447 1.00 0.00 C ATOM 590 C THR A 38 1.805 9.330 3.179 1.00 0.00 C ATOM 591 O THR A 38 0.856 8.903 2.524 1.00 0.00 O ATOM 592 CB THR A 38 1.088 9.252 5.606 1.00 0.00 C ATOM 593 OG1 THR A 38 1.234 9.958 6.842 1.00 0.00 O ATOM 594 CG2 THR A 38 1.882 7.962 5.660 1.00 0.00 C ATOM 0 H THR A 38 -0.325 10.979 4.327 1.00 0.00 H new ATOM 0 HA THR A 38 2.525 10.592 4.749 1.00 0.00 H new ATOM 0 HB THR A 38 0.040 9.002 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.238 9.319 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.521 7.347 6.484 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.760 7.420 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.937 8.190 5.813 1.00 0.00 H new ATOM 602 N PRO A 39 3.077 9.120 2.813 1.00 0.00 N ATOM 603 CA PRO A 39 3.442 8.387 1.604 1.00 0.00 C ATOM 604 C PRO A 39 3.061 6.914 1.661 1.00 0.00 C ATOM 605 O PRO A 39 3.109 6.271 2.721 1.00 0.00 O ATOM 606 CB PRO A 39 4.964 8.529 1.541 1.00 0.00 C ATOM 607 CG PRO A 39 5.383 8.806 2.939 1.00 0.00 C ATOM 608 CD PRO A 39 4.263 9.582 3.558 1.00 0.00 C ATOM 0 HA PRO A 39 2.919 8.781 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.430 7.619 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.257 9.339 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.563 7.879 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.312 9.375 2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.173 9.377 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.411 10.657 3.452 1.00 0.00 H new ATOM 616 N LEU A 40 2.689 6.373 0.508 1.00 0.00 N ATOM 617 CA LEU A 40 2.344 4.977 0.353 1.00 0.00 C ATOM 618 C LEU A 40 3.503 4.055 0.722 1.00 0.00 C ATOM 619 O LEU A 40 3.313 2.868 0.899 1.00 0.00 O ATOM 620 CB LEU A 40 1.912 4.726 -1.088 1.00 0.00 C ATOM 621 CG LEU A 40 0.422 4.896 -1.383 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.151 6.129 -0.719 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.170 4.933 -2.876 1.00 0.00 C ATOM 0 H LEU A 40 2.619 6.907 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 40 1.525 4.752 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.469 5.403 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.202 3.712 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.089 4.030 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.212 6.210 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.025 6.052 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.371 7.014 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.897 5.055 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.713 5.770 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.513 4.001 -3.326 1.00 0.00 H new ATOM 635 N SER A 41 4.703 4.609 0.842 1.00 0.00 N ATOM 636 CA SER A 41 5.879 3.830 1.211 1.00 0.00 C ATOM 637 C SER A 41 5.598 2.990 2.468 1.00 0.00 C ATOM 638 O SER A 41 5.947 1.800 2.539 1.00 0.00 O ATOM 639 CB SER A 41 7.056 4.773 1.461 1.00 0.00 C ATOM 640 OG SER A 41 7.150 5.744 0.427 1.00 0.00 O ATOM 0 H SER A 41 4.888 5.600 0.688 1.00 0.00 H new ATOM 0 HA SER A 41 6.125 3.151 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.932 5.270 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.982 4.201 1.515 1.00 0.00 H new ATOM 0 HG SER A 41 7.908 6.339 0.605 1.00 0.00 H new ATOM 672 N LEU A 43 2.566 2.260 3.493 1.00 0.00 N ATOM 673 CA LEU A 43 1.447 1.402 3.113 1.00 0.00 C ATOM 674 C LEU A 43 1.956 0.097 2.526 1.00 0.00 C ATOM 675 O LEU A 43 1.586 -0.993 2.981 1.00 0.00 O ATOM 676 CB LEU A 43 0.529 2.142 2.102 1.00 0.00 C ATOM 677 CG LEU A 43 -0.681 1.360 1.549 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.725 2.319 1.031 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.271 0.429 0.421 1.00 0.00 C ATOM 0 HA LEU A 43 0.863 1.168 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.156 3.046 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.142 2.459 1.258 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.088 0.765 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.575 1.757 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.058 2.967 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.297 2.927 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.147 -0.106 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.165 1.011 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.464 -0.287 0.789 1.00 0.00 H new ATOM 691 N MET A 44 2.808 0.206 1.508 1.00 0.00 N ATOM 692 CA MET A 44 3.370 -0.964 0.856 1.00 0.00 C ATOM 693 C MET A 44 4.116 -1.834 1.849 1.00 0.00 C ATOM 694 O MET A 44 3.998 -3.063 1.832 1.00 0.00 O ATOM 695 CB MET A 44 4.301 -0.580 -0.305 1.00 0.00 C ATOM 696 CG MET A 44 3.589 -0.185 -1.595 1.00 0.00 C ATOM 697 SD MET A 44 2.929 1.480 -1.578 1.00 0.00 S ATOM 698 CE MET A 44 2.303 1.599 -3.246 1.00 0.00 C ATOM 0 H MET A 44 3.121 1.096 1.120 1.00 0.00 H new ATOM 0 HA MET A 44 2.534 -1.531 0.446 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.932 0.250 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.962 -1.421 -0.515 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.286 -0.281 -2.427 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.775 -0.886 -1.779 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.304 2.642 -3.562 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.937 1.017 -3.915 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.285 1.211 -3.281 1.00 0.00 H new ATOM 708 N LYS A 45 4.883 -1.204 2.730 1.00 0.00 N ATOM 709 CA LYS A 45 5.636 -1.942 3.724 1.00 0.00 C ATOM 710 C LYS A 45 4.709 -2.591 4.755 1.00 0.00 C ATOM 711 O LYS A 45 4.898 -3.744 5.120 1.00 0.00 O ATOM 712 CB LYS A 45 6.678 -1.045 4.414 1.00 0.00 C ATOM 713 CG LYS A 45 7.440 -1.729 5.553 1.00 0.00 C ATOM 714 CD LYS A 45 8.160 -2.997 5.089 1.00 0.00 C ATOM 715 CE LYS A 45 9.427 -2.681 4.312 1.00 0.00 C ATOM 716 NZ LYS A 45 10.465 -2.053 5.171 1.00 0.00 N ATOM 0 H LYS A 45 4.997 -0.191 2.773 1.00 0.00 H new ATOM 0 HA LYS A 45 6.169 -2.738 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.394 -0.700 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.176 -0.161 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.167 -1.033 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.744 -1.981 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.409 -3.610 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.489 -3.587 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.823 -3.598 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.188 -2.013 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.395 -2.145 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.243 -1.046 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.484 -2.528 6.096 1.00 0.00 H new ATOM 730 N ALA A 46 3.689 -1.858 5.199 1.00 0.00 N ATOM 731 CA ALA A 46 2.753 -2.367 6.202 1.00 0.00 C ATOM 732 C ALA A 46 2.129 -3.677 5.747 1.00 0.00 C ATOM 733 O ALA A 46 2.175 -4.682 6.459 1.00 0.00 O ATOM 734 CB ALA A 46 1.671 -1.341 6.496 1.00 0.00 C ATOM 0 H ALA A 46 3.489 -0.910 4.880 1.00 0.00 H new ATOM 0 HA ALA A 46 3.312 -2.554 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.986 -1.739 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.129 -0.427 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.121 -1.120 5.581 1.00 0.00 H new ATOM 740 N TYR A 47 1.561 -3.676 4.548 1.00 0.00 N ATOM 741 CA TYR A 47 0.961 -4.875 3.992 1.00 0.00 C ATOM 742 C TYR A 47 2.007 -5.986 3.831 1.00 0.00 C ATOM 743 O TYR A 47 1.740 -7.164 4.110 1.00 0.00 O ATOM 744 CB TYR A 47 0.313 -4.558 2.642 1.00 0.00 C ATOM 745 CG TYR A 47 -0.058 -5.783 1.851 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.229 -6.469 2.111 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.770 -6.256 0.843 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.573 -7.588 1.394 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.436 -7.378 0.118 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.737 -8.041 0.397 1.00 0.00 C ATOM 751 OH TYR A 47 -1.081 -9.158 -0.320 1.00 0.00 O ATOM 0 H TYR A 47 1.505 -2.856 3.944 1.00 0.00 H new ATOM 0 HA TYR A 47 0.194 -5.228 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.582 -3.959 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.999 -3.949 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.886 -6.118 2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.691 -5.736 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.493 -8.110 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.090 -7.735 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.387 -9.346 -0.986 1.00 0.00 H new ATOM 761 N CYS A 48 3.195 -5.597 3.392 1.00 0.00 N ATOM 762 CA CYS A 48 4.291 -6.528 3.168 1.00 0.00 C ATOM 763 C CYS A 48 4.665 -7.248 4.457 1.00 0.00 C ATOM 764 O CYS A 48 4.906 -8.461 4.470 1.00 0.00 O ATOM 765 CB CYS A 48 5.498 -5.779 2.577 1.00 0.00 C ATOM 766 SG CYS A 48 7.109 -6.335 3.169 1.00 0.00 S ATOM 0 H CYS A 48 3.426 -4.626 3.181 1.00 0.00 H new ATOM 0 HA CYS A 48 3.970 -7.286 2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.473 -5.880 1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.392 -4.718 2.801 1.00 0.00 H new ATOM 0 HG CYS A 48 7.467 -7.401 2.516 1.00 0.00 H new ATOM 772 N GLU A 49 4.676 -6.508 5.542 1.00 0.00 N ATOM 773 CA GLU A 49 5.018 -7.045 6.847 1.00 0.00 C ATOM 774 C GLU A 49 3.930 -7.979 7.351 1.00 0.00 C ATOM 775 O GLU A 49 4.208 -9.023 7.941 1.00 0.00 O ATOM 776 CB GLU A 49 5.210 -5.903 7.832 1.00 0.00 C ATOM 777 CG GLU A 49 6.359 -4.989 7.476 1.00 0.00 C ATOM 778 CD GLU A 49 7.702 -5.546 7.894 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.073 -5.387 9.079 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.400 -6.143 7.046 1.00 0.00 O ATOM 0 H GLU A 49 4.448 -5.514 5.549 1.00 0.00 H new ATOM 0 HA GLU A 49 5.944 -7.613 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.292 -5.318 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.379 -6.316 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.361 -4.818 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.208 -4.020 7.953 1.00 0.00 H new ATOM 787 N ARG A 50 2.685 -7.608 7.111 1.00 0.00 N ATOM 788 CA ARG A 50 1.545 -8.396 7.560 1.00 0.00 C ATOM 789 C ARG A 50 1.457 -9.711 6.806 1.00 0.00 C ATOM 790 O ARG A 50 1.405 -10.784 7.407 1.00 0.00 O ATOM 791 CB ARG A 50 0.245 -7.610 7.376 1.00 0.00 C ATOM 792 CG ARG A 50 0.215 -6.286 8.115 1.00 0.00 C ATOM 793 CD ARG A 50 0.390 -6.472 9.616 1.00 0.00 C ATOM 794 NE ARG A 50 0.486 -5.192 10.324 1.00 0.00 N ATOM 795 CZ ARG A 50 0.505 -5.068 11.655 1.00 0.00 C ATOM 796 NH1 ARG A 50 0.434 -6.144 12.429 1.00 0.00 N ATOM 797 NH2 ARG A 50 0.599 -3.865 12.208 1.00 0.00 N ATOM 0 H ARG A 50 2.434 -6.759 6.604 1.00 0.00 H new ATOM 0 HA ARG A 50 1.688 -8.612 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.092 -7.425 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.590 -8.223 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.006 -5.639 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.731 -5.782 7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.451 -7.042 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.289 -7.059 9.806 1.00 0.00 H new ATOM 0 HE ARG A 50 0.542 -4.341 9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.365 -7.071 12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.449 -6.044 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.657 -3.035 11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.613 -3.770 13.223 1.00 0.00 H new ATOM 811 N GLN A 51 1.465 -9.633 5.487 1.00 0.00 N ATOM 812 CA GLN A 51 1.323 -10.819 4.652 1.00 0.00 C ATOM 813 C GLN A 51 2.587 -11.665 4.645 1.00 0.00 C ATOM 814 O GLN A 51 2.540 -12.864 4.369 1.00 0.00 O ATOM 815 CB GLN A 51 0.935 -10.430 3.226 1.00 0.00 C ATOM 816 CG GLN A 51 -0.476 -10.862 2.827 1.00 0.00 C ATOM 817 CD GLN A 51 -1.565 -10.330 3.755 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.599 -10.968 3.942 1.00 0.00 O ATOM 819 NE2 GLN A 51 -1.346 -9.161 4.328 1.00 0.00 N ATOM 0 H GLN A 51 1.568 -8.761 4.968 1.00 0.00 H new ATOM 0 HA GLN A 51 0.526 -11.424 5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.016 -9.348 3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.650 -10.873 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.678 -10.521 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.523 -11.951 2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.476 -8.660 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.047 -8.758 4.950 1.00 0.00 H new ATOM 828 N GLY A 52 3.716 -11.056 4.965 1.00 0.00 N ATOM 829 CA GLY A 52 4.961 -11.789 4.983 1.00 0.00 C ATOM 830 C GLY A 52 5.501 -12.022 3.588 1.00 0.00 C ATOM 831 O GLY A 52 5.727 -13.159 3.175 1.00 0.00 O ATOM 0 H GLY A 52 3.792 -10.069 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.697 -11.239 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.810 -12.748 5.478 1.00 0.00 H new ATOM 835 N LEU A 53 5.711 -10.947 2.860 1.00 0.00 N ATOM 836 CA LEU A 53 6.190 -11.026 1.493 1.00 0.00 C ATOM 837 C LEU A 53 7.083 -9.838 1.177 1.00 0.00 C ATOM 838 O LEU A 53 7.251 -8.948 2.001 1.00 0.00 O ATOM 839 CB LEU A 53 5.013 -11.139 0.498 1.00 0.00 C ATOM 840 CG LEU A 53 3.837 -10.166 0.698 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.236 -8.740 0.371 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.645 -10.593 -0.146 1.00 0.00 C ATOM 0 H LEU A 53 5.556 -9.996 3.195 1.00 0.00 H new ATOM 0 HA LEU A 53 6.788 -11.931 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.405 -10.995 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.624 -12.156 0.547 1.00 0.00 H new ATOM 0 HG LEU A 53 3.552 -10.198 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.382 -8.079 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.054 -8.432 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.559 -8.682 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.822 -9.895 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.927 -10.596 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.331 -11.594 0.149 1.00 0.00 H new ATOM 854 N SER A 54 7.661 -9.824 0.000 1.00 0.00 N ATOM 855 CA SER A 54 8.539 -8.745 -0.400 1.00 0.00 C ATOM 856 C SER A 54 7.798 -7.704 -1.236 1.00 0.00 C ATOM 857 O SER A 54 7.143 -8.038 -2.224 1.00 0.00 O ATOM 858 CB SER A 54 9.719 -9.314 -1.182 1.00 0.00 C ATOM 859 OG SER A 54 10.489 -10.189 -0.371 1.00 0.00 O ATOM 0 H SER A 54 7.539 -10.552 -0.704 1.00 0.00 H new ATOM 0 HA SER A 54 8.904 -8.245 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.355 -9.850 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.347 -8.500 -1.544 1.00 0.00 H new ATOM 0 HG SER A 54 11.239 -10.543 -0.893 1.00 0.00 H new ATOM 865 N MET A 55 7.911 -6.427 -0.844 1.00 0.00 N ATOM 866 CA MET A 55 7.261 -5.333 -1.576 1.00 0.00 C ATOM 867 C MET A 55 7.820 -5.212 -2.994 1.00 0.00 C ATOM 868 O MET A 55 7.145 -4.747 -3.906 1.00 0.00 O ATOM 869 CB MET A 55 7.405 -3.981 -0.837 1.00 0.00 C ATOM 870 CG MET A 55 8.843 -3.576 -0.521 1.00 0.00 C ATOM 871 SD MET A 55 9.070 -1.786 -0.425 1.00 0.00 S ATOM 872 CE MET A 55 7.902 -1.352 0.858 1.00 0.00 C ATOM 0 H MET A 55 8.444 -6.128 -0.028 1.00 0.00 H new ATOM 0 HA MET A 55 6.200 -5.577 -1.633 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.947 -3.200 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.843 -4.031 0.095 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.141 -4.025 0.426 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.505 -3.980 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.370 -0.657 1.556 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.027 -0.882 0.409 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.597 -2.252 1.392 1.00 0.00 H new ATOM 882 N ARG A 56 9.056 -5.649 -3.180 1.00 0.00 N ATOM 883 CA ARG A 56 9.707 -5.595 -4.485 1.00 0.00 C ATOM 884 C ARG A 56 9.176 -6.691 -5.415 1.00 0.00 C ATOM 885 O ARG A 56 9.459 -6.704 -6.606 1.00 0.00 O ATOM 886 CB ARG A 56 11.220 -5.747 -4.318 1.00 0.00 C ATOM 887 CG ARG A 56 11.635 -7.083 -3.723 1.00 0.00 C ATOM 888 CD ARG A 56 13.116 -7.123 -3.409 1.00 0.00 C ATOM 889 NE ARG A 56 13.925 -6.991 -4.612 1.00 0.00 N ATOM 890 CZ ARG A 56 14.556 -8.000 -5.216 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.491 -9.231 -4.716 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.258 -7.777 -6.313 1.00 0.00 N ATOM 0 H ARG A 56 9.634 -6.048 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 56 9.484 -4.628 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.698 -5.627 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.589 -4.944 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.065 -7.268 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.390 -7.884 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.363 -6.320 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.357 -8.061 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 56 14.016 -6.062 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.956 -9.409 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.976 -9.997 -5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.317 -6.834 -6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.741 -8.548 -6.775 1.00 0.00 H new ATOM 906 N GLN A 57 8.428 -7.625 -4.854 1.00 0.00 N ATOM 907 CA GLN A 57 7.887 -8.744 -5.620 1.00 0.00 C ATOM 908 C GLN A 57 6.401 -8.569 -5.879 1.00 0.00 C ATOM 909 O GLN A 57 5.738 -9.468 -6.402 1.00 0.00 O ATOM 910 CB GLN A 57 8.115 -10.044 -4.859 1.00 0.00 C ATOM 911 CG GLN A 57 9.568 -10.310 -4.523 1.00 0.00 C ATOM 912 CD GLN A 57 10.410 -10.621 -5.744 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.946 -9.591 -6.365 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.560 -11.779 -6.133 1.00 0.00 N flip ATOM 0 H GLN A 57 8.178 -7.634 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 57 8.402 -8.776 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.537 -10.019 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.732 -10.874 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.983 -9.440 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.627 -11.145 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.127 -12.549 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.117 -11.969 -6.966 1.00 0.00 H new ATOM 923 N ILE A 58 5.868 -7.420 -5.524 1.00 0.00 N ATOM 924 CA ILE A 58 4.447 -7.175 -5.676 1.00 0.00 C ATOM 925 C ILE A 58 4.175 -5.795 -6.249 1.00 0.00 C ATOM 926 O ILE A 58 5.071 -4.962 -6.362 1.00 0.00 O ATOM 927 CB ILE A 58 3.693 -7.323 -4.332 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.340 -6.458 -3.264 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.671 -8.771 -3.885 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.516 -6.328 -2.005 1.00 0.00 C ATOM 0 H ILE A 58 6.395 -6.641 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 58 4.080 -7.928 -6.373 1.00 0.00 H new ATOM 0 HB ILE A 58 2.665 -6.991 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.313 -6.878 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.520 -5.464 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.136 -8.852 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.168 -9.377 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.693 -9.127 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.042 -5.696 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.552 -5.879 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.358 -7.315 -1.570 1.00 0.00 H new ATOM 942 N ARG A 59 2.928 -5.560 -6.613 1.00 0.00 N ATOM 943 CA ARG A 59 2.508 -4.286 -7.161 1.00 0.00 C ATOM 944 C ARG A 59 1.139 -3.890 -6.639 1.00 0.00 C ATOM 945 O ARG A 59 0.292 -4.750 -6.356 1.00 0.00 O ATOM 946 CB ARG A 59 2.519 -4.303 -8.688 1.00 0.00 C ATOM 947 CG ARG A 59 3.901 -4.104 -9.296 1.00 0.00 C ATOM 948 CD ARG A 59 4.516 -2.791 -8.827 1.00 0.00 C ATOM 949 NE ARG A 59 3.609 -1.664 -9.045 1.00 0.00 N ATOM 950 CZ ARG A 59 3.511 -0.604 -8.248 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.301 -0.485 -7.188 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.624 0.341 -8.522 1.00 0.00 N ATOM 0 H ARG A 59 2.179 -6.248 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 59 3.228 -3.537 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.114 -5.254 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.855 -3.521 -9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.549 -4.935 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.829 -4.109 -10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.762 -2.862 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.450 -2.615 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 59 3.008 -1.693 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.989 -1.209 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.220 0.331 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.021 0.253 -9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.544 1.157 -7.915 1.00 0.00 H new ATOM 966 N PHE A 60 0.923 -2.580 -6.514 1.00 0.00 N ATOM 967 CA PHE A 60 -0.317 -2.040 -5.967 1.00 0.00 C ATOM 968 C PHE A 60 -1.069 -1.217 -7.011 1.00 0.00 C ATOM 969 O PHE A 60 -0.487 -0.339 -7.679 1.00 0.00 O ATOM 970 CB PHE A 60 -0.021 -1.150 -4.745 1.00 0.00 C ATOM 971 CG PHE A 60 0.518 -1.882 -3.541 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.764 -2.491 -3.573 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.222 -1.949 -2.372 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.255 -3.153 -2.464 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.268 -2.610 -1.259 1.00 0.00 C ATOM 976 CZ PHE A 60 1.506 -3.211 -1.308 1.00 0.00 C ATOM 0 H PHE A 60 1.600 -1.869 -6.788 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.938 -2.884 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.697 -0.384 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.938 -0.635 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.357 -2.447 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.194 -1.480 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.226 -3.625 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.319 -2.654 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.890 -3.728 -0.441 1.00 0.00 H new ATOM 986 N ARG A 61 -2.355 -1.488 -7.162 1.00 0.00 N ATOM 987 CA ARG A 61 -3.190 -0.733 -8.080 1.00 0.00 C ATOM 988 C ARG A 61 -4.490 -0.319 -7.387 1.00 0.00 C ATOM 989 O ARG A 61 -5.054 -1.068 -6.588 1.00 0.00 O ATOM 990 CB ARG A 61 -3.480 -1.548 -9.353 1.00 0.00 C ATOM 991 CG ARG A 61 -4.564 -2.581 -9.184 1.00 0.00 C ATOM 992 CD ARG A 61 -5.888 -2.097 -9.765 1.00 0.00 C ATOM 993 NE ARG A 61 -6.996 -2.989 -9.430 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.673 -3.735 -10.307 1.00 0.00 C ATOM 995 NH1 ARG A 61 -7.384 -3.682 -11.603 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.649 -4.526 -9.880 1.00 0.00 N ATOM 0 H ARG A 61 -2.844 -2.228 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.654 0.168 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.765 -0.865 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.564 -2.046 -9.670 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.266 -3.507 -9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.691 -2.808 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.103 -1.096 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.801 -2.020 -10.849 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.274 -3.046 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.640 -3.068 -11.935 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.906 -4.255 -12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.879 -4.562 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.170 -5.098 -10.545 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.956 0.866 -7.690 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.164 1.394 -7.106 1.00 0.00 C ATOM 1012 C PHE A 62 -7.010 2.065 -8.168 1.00 0.00 C ATOM 1013 O PHE A 62 -6.500 2.820 -8.986 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.822 2.409 -6.014 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.023 3.104 -5.438 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.823 2.471 -4.511 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.351 4.392 -5.836 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.930 3.103 -3.985 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.457 5.030 -5.315 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.248 4.384 -4.389 1.00 0.00 C ATOM 0 H PHE A 62 -4.505 1.496 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.725 0.568 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.288 1.900 -5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.143 3.156 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.580 1.468 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.733 4.900 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.547 2.596 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.703 6.033 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.116 4.880 -3.980 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.303 1.777 -8.159 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.261 2.403 -9.084 1.00 0.00 C ATOM 1032 C ASP A 63 -8.892 2.158 -10.526 1.00 0.00 C ATOM 1033 O ASP A 63 -9.159 2.982 -11.397 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.325 3.903 -8.845 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.698 4.465 -9.127 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.621 4.218 -8.323 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.870 5.152 -10.154 1.00 0.00 O ATOM 0 H ASP A 63 -8.725 1.107 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.233 1.949 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.051 4.117 -7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.592 4.402 -9.479 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.290 1.031 -10.801 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.906 0.751 -12.154 1.00 0.00 C ATOM 1044 C GLY A 64 -6.525 1.260 -12.500 1.00 0.00 C ATOM 1045 O GLY A 64 -5.944 0.853 -13.499 1.00 0.00 O ATOM 0 H GLY A 64 -8.060 0.307 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.941 -0.326 -12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.632 1.201 -12.831 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.971 2.133 -11.674 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.665 2.713 -11.965 1.00 0.00 C ATOM 1051 C GLN A 65 -3.628 2.348 -10.914 1.00 0.00 C ATOM 1052 O GLN A 65 -3.937 2.173 -9.752 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.770 4.227 -12.134 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.666 4.889 -11.129 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.866 6.351 -11.404 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.963 7.051 -11.871 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -7.058 6.794 -11.178 1.00 0.00 N ATOM 0 H GLN A 65 -6.398 2.454 -10.805 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.324 2.285 -12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.773 4.661 -12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.139 4.446 -13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.634 4.388 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.241 4.766 -10.133 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.768 6.173 -10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.289 7.765 -11.387 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.386 2.229 -11.336 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.271 1.842 -10.465 1.00 0.00 C ATOM 1068 C PRO A 66 -0.757 3.003 -9.603 1.00 0.00 C ATOM 1069 O PRO A 66 -0.784 4.165 -10.017 1.00 0.00 O ATOM 1070 CB PRO A 66 -0.208 1.421 -11.469 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.461 2.304 -12.649 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.953 2.477 -12.716 1.00 0.00 C ATOM 0 HA PRO A 66 -1.554 1.071 -9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.797 1.564 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.301 0.367 -11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.040 3.265 -12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.078 1.853 -13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.227 3.478 -13.049 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.408 1.773 -13.413 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.277 2.689 -8.403 1.00 0.00 N ATOM 1081 CA ILE A 67 0.262 3.712 -7.504 1.00 0.00 C ATOM 1082 C ILE A 67 1.617 3.305 -6.956 1.00 0.00 C ATOM 1083 O ILE A 67 1.848 2.143 -6.621 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.675 4.044 -6.302 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.045 2.773 -5.496 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.918 4.798 -6.761 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.213 1.995 -6.052 1.00 0.00 C ATOM 0 H ILE A 67 -0.249 1.740 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 67 0.352 4.607 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.122 4.700 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.175 2.118 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.273 3.063 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.551 5.015 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.621 5.732 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.472 4.187 -7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.401 1.123 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.099 2.629 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.984 1.670 -7.067 1.00 0.00 H new ATOM 1099 N ASN A 68 2.529 4.249 -6.904 1.00 0.00 N ATOM 1100 CA ASN A 68 3.849 4.003 -6.341 1.00 0.00 C ATOM 1101 C ASN A 68 3.922 4.474 -4.909 1.00 0.00 C ATOM 1102 O ASN A 68 3.150 5.330 -4.486 1.00 0.00 O ATOM 1103 CB ASN A 68 4.957 4.674 -7.175 1.00 0.00 C ATOM 1104 CG ASN A 68 4.574 6.037 -7.725 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.824 6.800 -6.961 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 4.967 6.403 -8.834 1.00 0.00 N flip ATOM 0 H ASN A 68 2.386 5.200 -7.245 1.00 0.00 H new ATOM 0 HA ASN A 68 4.012 2.926 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.849 4.780 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.220 4.019 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.548 5.784 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.712 7.325 -9.187 1.00 0.00 H new ATOM 1113 N GLU A 69 4.866 3.924 -4.170 1.00 0.00 N ATOM 1114 CA GLU A 69 5.089 4.270 -2.767 1.00 0.00 C ATOM 1115 C GLU A 69 5.365 5.764 -2.583 1.00 0.00 C ATOM 1116 O GLU A 69 5.202 6.307 -1.490 1.00 0.00 O ATOM 1117 CB GLU A 69 6.259 3.462 -2.223 1.00 0.00 C ATOM 1118 CG GLU A 69 7.448 3.423 -3.159 1.00 0.00 C ATOM 1119 CD GLU A 69 8.667 2.797 -2.536 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.458 3.526 -1.906 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.855 1.575 -2.687 1.00 0.00 O ATOM 0 H GLU A 69 5.510 3.216 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 69 4.179 4.031 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.571 3.885 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.927 2.443 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.179 2.866 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.689 4.438 -3.474 1.00 0.00 H new ATOM 1128 N THR A 70 5.787 6.422 -3.645 1.00 0.00 N ATOM 1129 CA THR A 70 6.096 7.835 -3.606 1.00 0.00 C ATOM 1130 C THR A 70 4.829 8.689 -3.675 1.00 0.00 C ATOM 1131 O THR A 70 4.883 9.919 -3.589 1.00 0.00 O ATOM 1132 CB THR A 70 7.038 8.204 -4.764 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.434 7.835 -6.008 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.351 7.463 -4.620 1.00 0.00 C ATOM 0 H THR A 70 5.925 5.990 -4.559 1.00 0.00 H new ATOM 0 HA THR A 70 6.590 8.040 -2.656 1.00 0.00 H new ATOM 0 HB THR A 70 7.221 9.278 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.481 7.654 -5.868 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.012 7.730 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.821 7.736 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.166 6.389 -4.637 1.00 0.00 H new ATOM 1142 N ASP A 71 3.680 8.045 -3.822 1.00 0.00 N ATOM 1143 CA ASP A 71 2.418 8.765 -3.888 1.00 0.00 C ATOM 1144 C ASP A 71 1.720 8.760 -2.544 1.00 0.00 C ATOM 1145 O ASP A 71 2.071 7.984 -1.658 1.00 0.00 O ATOM 1146 CB ASP A 71 1.506 8.195 -4.984 1.00 0.00 C ATOM 1147 CG ASP A 71 1.576 9.005 -6.264 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.582 10.249 -6.184 1.00 0.00 O ATOM 1149 OD2 ASP A 71 1.635 8.402 -7.357 1.00 0.00 O ATOM 0 H ASP A 71 3.596 7.031 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 71 2.641 9.800 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.791 7.164 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.477 8.175 -4.624 1.00 0.00 H new ATOM 1154 N THR A 72 0.764 9.652 -2.372 1.00 0.00 N ATOM 1155 CA THR A 72 -0.005 9.739 -1.139 1.00 0.00 C ATOM 1156 C THR A 72 -1.477 9.443 -1.420 1.00 0.00 C ATOM 1157 O THR A 72 -1.937 9.607 -2.553 1.00 0.00 O ATOM 1158 CB THR A 72 0.108 11.148 -0.519 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.146 12.140 -1.526 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.483 11.373 0.089 1.00 0.00 C ATOM 0 H THR A 72 0.496 10.337 -3.079 1.00 0.00 H new ATOM 0 HA THR A 72 0.398 9.006 -0.440 1.00 0.00 H new ATOM 0 HB THR A 72 -0.633 11.232 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.075 13.034 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.532 12.374 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.660 10.634 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.244 11.272 -0.685 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.250 9.012 -0.401 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.681 8.728 -0.568 1.00 0.00 C ATOM 1170 C PRO A 73 -4.482 10.000 -0.865 1.00 0.00 C ATOM 1171 O PRO A 73 -5.657 9.950 -1.241 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.091 8.135 0.787 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.083 8.653 1.747 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.795 8.756 0.985 1.00 0.00 C ATOM 0 HA PRO A 73 -3.874 8.061 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.098 8.444 1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.088 7.045 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.382 9.625 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.978 7.983 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.167 9.564 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.210 7.839 1.055 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.838 11.147 -0.702 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.466 12.428 -0.969 1.00 0.00 C ATOM 1184 C ALA A 74 -4.152 12.888 -2.377 1.00 0.00 C ATOM 1185 O ALA A 74 -4.848 13.726 -2.942 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.001 13.464 0.035 1.00 0.00 C ATOM 0 H ALA A 74 -2.871 11.213 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.545 12.309 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.481 14.419 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.268 13.141 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.919 13.578 -0.034 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.102 12.319 -2.960 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.676 12.683 -4.302 1.00 0.00 C ATOM 1194 C GLN A 75 -3.758 12.329 -5.314 1.00 0.00 C ATOM 1195 O GLN A 75 -3.978 13.042 -6.292 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.376 11.960 -4.659 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.583 12.636 -5.757 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.039 13.975 -5.318 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.691 15.005 -5.472 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.159 13.969 -4.770 1.00 0.00 N ATOM 0 H GLN A 75 -2.529 11.600 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.503 13.759 -4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.754 11.888 -3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.611 10.941 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.242 11.991 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.218 12.772 -6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.666 13.090 -4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.580 14.843 -4.454 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.438 11.224 -5.070 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.508 10.770 -5.940 1.00 0.00 C ATOM 1211 C LEU A 76 -6.863 10.892 -5.247 1.00 0.00 C ATOM 1212 O LEU A 76 -7.896 10.544 -5.810 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.263 9.318 -6.457 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.648 8.279 -5.473 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.155 8.511 -5.271 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.370 8.285 -4.137 1.00 0.00 C ATOM 0 H LEU A 76 -4.266 10.618 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.516 11.421 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.218 8.923 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.609 9.380 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.778 7.297 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.762 7.767 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.640 8.424 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.994 9.508 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.915 7.549 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.293 9.275 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.420 8.036 -4.290 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.834 11.401 -4.011 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.034 11.605 -3.192 1.00 0.00 C ATOM 1230 C GLU A 77 -8.898 10.350 -3.098 1.00 0.00 C ATOM 1231 O GLU A 77 -10.044 10.330 -3.546 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.859 12.787 -3.702 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.105 14.102 -3.694 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.975 15.268 -4.079 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.236 15.448 -5.283 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.398 16.017 -3.182 1.00 0.00 O ATOM 0 H GLU A 77 -5.971 11.685 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.685 11.833 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.192 12.575 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.754 12.887 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.692 14.274 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.263 14.038 -4.383 1.00 0.00 H new ATOM 1243 N MET A 78 -8.345 9.297 -2.528 1.00 0.00 N ATOM 1244 CA MET A 78 -9.094 8.061 -2.340 1.00 0.00 C ATOM 1245 C MET A 78 -10.038 8.188 -1.156 1.00 0.00 C ATOM 1246 O MET A 78 -9.918 9.113 -0.340 1.00 0.00 O ATOM 1247 CB MET A 78 -8.159 6.864 -2.152 1.00 0.00 C ATOM 1248 CG MET A 78 -7.095 7.071 -1.094 1.00 0.00 C ATOM 1249 SD MET A 78 -6.093 5.597 -0.797 1.00 0.00 S ATOM 1250 CE MET A 78 -5.709 5.069 -2.463 1.00 0.00 C ATOM 0 H MET A 78 -7.384 9.268 -2.187 1.00 0.00 H new ATOM 0 HA MET A 78 -9.681 7.887 -3.242 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.754 5.990 -1.888 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.673 6.643 -3.102 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.444 7.890 -1.398 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.572 7.372 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.634 4.913 -2.557 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.231 4.137 -2.679 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.027 5.835 -3.170 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.970 7.267 -1.050 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.962 7.306 0.011 1.00 0.00 C ATOM 1262 C GLU A 79 -11.480 6.578 1.240 1.00 0.00 C ATOM 1263 O GLU A 79 -10.540 5.781 1.189 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.269 6.684 -0.459 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.920 7.425 -1.601 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.342 8.827 -1.215 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.464 8.994 -0.690 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.557 9.773 -1.431 1.00 0.00 O ATOM 0 H GLU A 79 -11.065 6.476 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.126 8.353 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.081 5.655 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.964 6.645 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.226 7.476 -2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.792 6.867 -1.942 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.115 6.857 2.356 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.804 6.186 3.587 1.00 0.00 C ATOM 1277 C ASP A 80 -12.352 4.775 3.561 1.00 0.00 C ATOM 1278 O ASP A 80 -13.471 4.534 3.100 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.365 6.949 4.789 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.871 7.125 4.726 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.362 7.829 3.813 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.571 6.566 5.596 1.00 0.00 O ATOM 0 H ASP A 80 -12.857 7.553 2.431 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.719 6.147 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.104 6.417 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.892 7.929 4.844 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.542 3.846 4.029 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.879 2.429 4.095 1.00 0.00 C ATOM 1289 C GLU A 81 -11.891 1.793 2.710 1.00 0.00 C ATOM 1290 O GLU A 81 -12.432 0.700 2.520 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.206 2.200 4.827 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.218 2.774 6.232 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.450 2.394 7.014 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.857 1.220 6.962 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.006 3.269 7.711 1.00 0.00 O ATOM 0 H GLU A 81 -10.609 4.055 4.383 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.098 1.936 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.014 2.650 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.407 1.130 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.334 2.428 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.151 3.860 6.175 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.283 2.473 1.738 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.187 1.942 0.385 1.00 0.00 C ATOM 1304 C ASP A 82 -10.196 0.781 0.336 1.00 0.00 C ATOM 1305 O ASP A 82 -9.531 0.475 1.330 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.762 3.024 -0.597 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.561 2.958 -1.880 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.580 1.884 -2.519 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.179 3.979 -2.253 1.00 0.00 O ATOM 0 H ASP A 82 -10.852 3.389 1.865 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.174 1.581 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.891 4.004 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.701 2.915 -0.823 1.00 0.00 H new ATOM 1314 N THR A 83 -10.069 0.144 -0.815 1.00 0.00 N ATOM 1315 CA THR A 83 -9.201 -1.009 -0.938 1.00 0.00 C ATOM 1316 C THR A 83 -8.298 -0.911 -2.176 1.00 0.00 C ATOM 1317 O THR A 83 -8.663 -0.313 -3.189 1.00 0.00 O ATOM 1318 CB THR A 83 -10.025 -2.314 -1.002 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.174 -2.198 -0.152 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.195 -3.500 -0.537 1.00 0.00 C ATOM 0 H THR A 83 -10.554 0.406 -1.673 1.00 0.00 H new ATOM 0 HA THR A 83 -8.568 -1.026 -0.051 1.00 0.00 H new ATOM 0 HB THR A 83 -10.331 -2.474 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.697 -3.026 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.796 -4.408 -0.591 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.320 -3.605 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.873 -3.338 0.492 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.121 -1.516 -2.086 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.142 -1.516 -3.162 1.00 0.00 C ATOM 1330 C ILE A 84 -5.850 -2.947 -3.559 1.00 0.00 C ATOM 1331 O ILE A 84 -5.751 -3.824 -2.705 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.804 -0.808 -2.740 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.989 0.706 -2.627 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.672 -1.125 -3.705 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.772 1.136 -1.422 1.00 0.00 C ATOM 0 H ILE A 84 -6.817 -2.025 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.560 -0.959 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.534 -1.199 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.008 1.181 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.493 1.068 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.764 -0.618 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.500 -2.201 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.940 -0.784 -4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.859 2.222 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.767 0.692 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.259 0.806 -0.518 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.733 -3.192 -4.840 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.470 -4.528 -5.341 1.00 0.00 C ATOM 1349 C ASP A 85 -3.980 -4.783 -5.421 1.00 0.00 C ATOM 1350 O ASP A 85 -3.214 -3.941 -5.908 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.074 -4.707 -6.723 1.00 0.00 C ATOM 1352 CG ASP A 85 -7.578 -4.632 -6.742 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -8.237 -5.672 -6.554 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.113 -3.531 -6.981 1.00 0.00 O ATOM 0 H ASP A 85 -5.816 -2.480 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.924 -5.238 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.673 -3.941 -7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.762 -5.672 -7.124 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.563 -5.933 -4.945 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.177 -6.316 -4.978 1.00 0.00 C ATOM 1361 C VAL A 86 -1.985 -7.585 -5.771 1.00 0.00 C ATOM 1362 O VAL A 86 -2.754 -8.542 -5.656 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.593 -6.487 -3.549 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.418 -7.465 -3.527 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.150 -5.152 -3.025 1.00 0.00 C ATOM 0 H VAL A 86 -4.179 -6.628 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.634 -5.509 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.378 -6.898 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.039 -7.556 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.751 -8.442 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.375 -7.096 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.740 -5.272 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.385 -4.739 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.003 -4.474 -2.989 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.953 -7.596 -6.568 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.624 -8.732 -7.377 1.00 0.00 C ATOM 1377 C PHE A 87 0.870 -8.959 -7.339 1.00 0.00 C ATOM 1378 O PHE A 87 1.648 -8.007 -7.235 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.145 -8.557 -8.818 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.981 -7.164 -9.383 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.882 -6.161 -9.050 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.061 -6.862 -10.245 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.748 -4.890 -9.561 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.198 -5.585 -10.763 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.706 -4.598 -10.419 1.00 0.00 C ATOM 0 H PHE A 87 -0.312 -6.809 -6.674 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.117 -9.617 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.624 -9.261 -9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.202 -8.823 -8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.700 -6.382 -8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.772 -7.629 -10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.457 -4.122 -9.291 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.012 -5.360 -11.436 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.598 -3.601 -10.820 1.00 0.00 H new ATOM 1395 N GLN A 88 1.281 -10.206 -7.401 1.00 0.00 N ATOM 1396 CA GLN A 88 2.690 -10.526 -7.328 1.00 0.00 C ATOM 1397 C GLN A 88 3.131 -11.052 -8.670 1.00 0.00 C ATOM 1398 O GLN A 88 2.761 -12.150 -9.072 1.00 0.00 O ATOM 1399 CB GLN A 88 2.954 -11.566 -6.226 1.00 0.00 C ATOM 1400 CG GLN A 88 1.938 -11.530 -5.082 1.00 0.00 C ATOM 1401 CD GLN A 88 2.419 -12.229 -3.821 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.625 -12.844 -3.103 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.694 -12.081 -3.502 1.00 0.00 N ATOM 0 H GLN A 88 0.664 -11.012 -7.501 1.00 0.00 H new ATOM 0 HA GLN A 88 3.258 -9.630 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.950 -12.561 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.952 -11.403 -5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.705 -10.492 -4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.011 -11.997 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.318 -11.566 -4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.053 -12.482 -2.636 1.00 0.00 H new