USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 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 32 LYS NZ :NH3+ 153:sc= 0.586 (180deg=0) USER MOD Set 1.2: A 34 CYS SG : rot -159:sc= 1.86 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.179) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.06) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.07) USER MOD Single : A 22 THR OG1 : rot 2:sc= 0.657 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-1.7) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0401 USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= 1.26 (180deg=0.965) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.11) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0508) USER MOD Single : A 48 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.45) USER MOD Single : A 51 GLN : amide:sc= -0.871 K(o=-0.87,f=-0.013) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 60 ASN : amide:sc= -2.31! K(o=-2.3!,f=0.044) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 3.01 (180deg=2.38) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -110:sc= 0.45 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0908 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -0.184! (180deg=-0.487!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -33:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -7.008 -3.180 8.663 1.00 0.00 N ATOM 245 CA GLU A 14 -6.624 -4.555 8.338 1.00 0.00 C ATOM 246 C GLU A 14 -5.196 -4.706 7.937 1.00 0.00 C ATOM 247 O GLU A 14 -4.603 -5.743 8.184 1.00 0.00 O ATOM 248 CB GLU A 14 -7.482 -5.180 7.252 1.00 0.00 C ATOM 249 CG GLU A 14 -8.903 -5.482 7.634 1.00 0.00 C ATOM 250 CD GLU A 14 -9.552 -6.330 6.584 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.997 -5.784 5.553 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.571 -7.568 6.735 1.00 0.00 O ATOM 0 HA GLU A 14 -6.785 -5.081 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.491 -4.510 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.008 -6.107 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.927 -5.997 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.460 -4.553 7.757 1.00 0.00 H new ATOM 259 N ILE A 15 -4.623 -3.666 7.385 1.00 0.00 N ATOM 260 CA ILE A 15 -3.290 -3.739 6.832 1.00 0.00 C ATOM 261 C ILE A 15 -2.275 -3.989 7.930 1.00 0.00 C ATOM 262 O ILE A 15 -1.285 -4.706 7.741 1.00 0.00 O ATOM 263 CB ILE A 15 -2.958 -2.443 6.022 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.871 -1.202 6.927 1.00 0.00 C ATOM 265 CG2 ILE A 15 -4.012 -2.228 4.954 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.453 -0.750 7.221 1.00 0.00 C ATOM 0 H ILE A 15 -5.063 -2.749 7.305 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.242 -4.579 6.139 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.980 -2.581 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.412 -0.382 6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.376 -1.416 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.780 -1.325 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.026 -3.084 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.990 -2.121 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.477 0.129 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.912 -1.552 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.949 -0.502 6.287 1.00 0.00 H new ATOM 278 N LYS A 16 -2.620 -3.499 9.101 1.00 0.00 N ATOM 279 CA LYS A 16 -1.775 -3.515 10.253 1.00 0.00 C ATOM 280 C LYS A 16 -1.619 -4.909 10.823 1.00 0.00 C ATOM 281 O LYS A 16 -0.545 -5.281 11.277 1.00 0.00 O ATOM 282 CB LYS A 16 -2.320 -2.523 11.279 1.00 0.00 C ATOM 283 CG LYS A 16 -2.368 -1.097 10.734 1.00 0.00 C ATOM 284 CD LYS A 16 -3.247 -0.171 11.556 1.00 0.00 C ATOM 285 CE LYS A 16 -2.729 0.055 12.961 1.00 0.00 C ATOM 286 NZ LYS A 16 -3.624 0.962 13.713 1.00 0.00 N ATOM 0 H LYS A 16 -3.528 -3.067 9.272 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.770 -3.206 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.322 -2.829 11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.696 -2.548 12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.356 -0.693 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.735 -1.119 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.327 0.789 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.253 -0.588 11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.650 -0.899 13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.726 0.479 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.249 1.102 14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.679 1.879 13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.574 0.543 13.770 1.00 0.00 H new ATOM 300 N LYS A 17 -2.669 -5.678 10.739 1.00 0.00 N ATOM 301 CA LYS A 17 -2.682 -7.032 11.267 1.00 0.00 C ATOM 302 C LYS A 17 -2.525 -8.066 10.136 1.00 0.00 C ATOM 303 O LYS A 17 -2.268 -9.257 10.381 1.00 0.00 O ATOM 304 CB LYS A 17 -3.992 -7.248 12.055 1.00 0.00 C ATOM 305 CG LYS A 17 -4.195 -8.631 12.639 1.00 0.00 C ATOM 306 CD LYS A 17 -5.487 -8.716 13.430 1.00 0.00 C ATOM 307 CE LYS A 17 -5.747 -10.132 13.912 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.056 -11.054 12.796 1.00 0.00 N ATOM 0 H LYS A 17 -3.546 -5.392 10.304 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.836 -7.170 11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.027 -6.523 12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.831 -7.027 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.210 -9.368 11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.354 -8.881 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.437 -8.042 14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.319 -8.383 12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.873 -10.497 14.451 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.578 -10.127 14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.454 -11.937 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.746 -10.608 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.185 -11.266 12.269 1.00 0.00 H new ATOM 322 N LYS A 18 -2.668 -7.624 8.903 1.00 0.00 N ATOM 323 CA LYS A 18 -2.577 -8.534 7.775 1.00 0.00 C ATOM 324 C LYS A 18 -1.111 -8.758 7.428 1.00 0.00 C ATOM 325 O LYS A 18 -0.651 -9.895 7.386 1.00 0.00 O ATOM 326 CB LYS A 18 -3.311 -7.985 6.560 1.00 0.00 C ATOM 327 CG LYS A 18 -3.820 -9.047 5.583 1.00 0.00 C ATOM 328 CD LYS A 18 -5.101 -9.711 6.096 1.00 0.00 C ATOM 329 CE LYS A 18 -6.255 -8.698 6.182 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.501 -9.288 6.723 1.00 0.00 N ATOM 0 H LYS A 18 -2.846 -6.651 8.656 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.046 -9.477 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.158 -7.391 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.644 -7.309 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.010 -8.589 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.051 -9.804 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.380 -10.530 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.920 -10.145 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.952 -7.862 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.452 -8.294 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.319 -8.744 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.585 -10.274 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.475 -9.261 7.762 1.00 0.00 H new ATOM 344 N PHE A 19 -0.366 -7.669 7.198 1.00 0.00 N ATOM 345 CA PHE A 19 1.050 -7.814 6.897 1.00 0.00 C ATOM 346 C PHE A 19 1.793 -7.864 8.215 1.00 0.00 C ATOM 347 O PHE A 19 2.829 -8.507 8.325 1.00 0.00 O ATOM 348 CB PHE A 19 1.579 -6.642 6.023 1.00 0.00 C ATOM 349 CG PHE A 19 2.909 -6.916 5.336 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.085 -6.937 6.049 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.971 -7.124 3.976 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.290 -7.158 5.430 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.188 -7.333 3.355 1.00 0.00 C ATOM 354 CZ PHE A 19 5.350 -7.349 4.084 1.00 0.00 C ATOM 0 H PHE A 19 -0.713 -6.710 7.215 1.00 0.00 H new ATOM 0 HA PHE A 19 1.208 -8.727 6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.834 -6.407 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.684 -5.757 6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.060 -6.776 7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.063 -7.124 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.197 -7.180 6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.224 -7.485 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.300 -7.511 3.596 1.00 0.00 H new ATOM 364 N LYS A 20 1.196 -7.211 9.224 1.00 0.00 N ATOM 365 CA LYS A 20 1.740 -7.099 10.577 1.00 0.00 C ATOM 366 C LYS A 20 2.938 -6.175 10.587 1.00 0.00 C ATOM 367 O LYS A 20 4.076 -6.584 10.332 1.00 0.00 O ATOM 368 CB LYS A 20 2.090 -8.460 11.184 1.00 0.00 C ATOM 369 CG LYS A 20 2.673 -8.411 12.590 1.00 0.00 C ATOM 370 CD LYS A 20 3.426 -9.690 12.870 1.00 0.00 C ATOM 371 CE LYS A 20 4.615 -9.813 11.915 1.00 0.00 C ATOM 372 NZ LYS A 20 5.248 -11.134 11.977 1.00 0.00 N ATOM 0 H LYS A 20 0.300 -6.736 9.114 1.00 0.00 H new ATOM 0 HA LYS A 20 0.959 -6.671 11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.190 -9.074 11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.804 -8.960 10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.341 -7.555 12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.875 -8.279 13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.775 -9.698 13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.762 -10.547 12.751 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.280 -9.621 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.353 -9.048 12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.173 -11.098 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.378 -11.410 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.642 -11.832 11.500 1.00 0.00 H new ATOM 386 N LEU A 21 2.676 -4.918 10.799 1.00 0.00 N ATOM 387 CA LEU A 21 3.751 -3.974 10.828 1.00 0.00 C ATOM 388 C LEU A 21 4.125 -3.693 12.250 1.00 0.00 C ATOM 389 O LEU A 21 5.266 -3.922 12.660 1.00 0.00 O ATOM 390 CB LEU A 21 3.443 -2.673 10.057 1.00 0.00 C ATOM 391 CG LEU A 21 2.929 -2.830 8.593 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.727 -3.876 7.854 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.424 -3.131 8.493 1.00 0.00 C ATOM 0 H LEU A 21 1.745 -4.529 10.952 1.00 0.00 H new ATOM 0 HA LEU A 21 4.598 -4.422 10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.698 -2.112 10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.349 -2.067 10.036 1.00 0.00 H new ATOM 0 HG LEU A 21 3.077 -1.859 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.351 -3.968 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.776 -3.582 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.631 -4.834 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.141 -3.227 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.204 -4.062 9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.859 -2.318 8.949 1.00 0.00 H new ATOM 405 N THR A 22 3.140 -3.261 13.001 1.00 0.00 N ATOM 406 CA THR A 22 3.255 -2.943 14.405 1.00 0.00 C ATOM 407 C THR A 22 4.334 -1.886 14.680 1.00 0.00 C ATOM 408 O THR A 22 5.506 -2.189 14.984 1.00 0.00 O ATOM 409 CB THR A 22 3.340 -4.212 15.329 1.00 0.00 C ATOM 410 OG1 THR A 22 4.435 -5.073 14.965 1.00 0.00 O ATOM 411 CG2 THR A 22 2.052 -5.007 15.209 1.00 0.00 C ATOM 0 H THR A 22 2.199 -3.116 12.636 1.00 0.00 H new ATOM 0 HA THR A 22 2.314 -2.472 14.690 1.00 0.00 H new ATOM 0 HB THR A 22 3.497 -3.863 16.350 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.931 -4.674 14.220 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.107 -5.888 15.848 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.211 -4.386 15.518 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.912 -5.318 14.174 1.00 0.00 H new ATOM 459 N GLN A 26 7.931 3.253 7.278 1.00 0.00 N ATOM 460 CA GLN A 26 8.233 4.329 6.349 1.00 0.00 C ATOM 461 C GLN A 26 8.424 3.787 4.950 1.00 0.00 C ATOM 462 O GLN A 26 8.512 2.575 4.761 1.00 0.00 O ATOM 463 CB GLN A 26 9.485 5.086 6.781 1.00 0.00 C ATOM 464 CG GLN A 26 10.746 4.249 6.800 1.00 0.00 C ATOM 465 CD GLN A 26 11.961 5.079 7.087 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.607 5.591 6.179 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.286 5.234 8.333 1.00 0.00 N ATOM 0 HA GLN A 26 7.388 5.018 6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.634 5.931 6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.321 5.497 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.653 3.468 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.866 3.750 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.727 4.794 9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.100 5.796 8.582 1.00 0.00 H new ATOM 476 N VAL A 27 8.500 4.672 3.974 1.00 0.00 N ATOM 477 CA VAL A 27 8.692 4.247 2.613 1.00 0.00 C ATOM 478 C VAL A 27 10.165 4.016 2.330 1.00 0.00 C ATOM 479 O VAL A 27 11.023 4.901 2.508 1.00 0.00 O ATOM 480 CB VAL A 27 8.041 5.185 1.548 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.533 6.599 1.644 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.299 4.669 0.159 1.00 0.00 C ATOM 0 H VAL A 27 8.432 5.681 4.103 1.00 0.00 H new ATOM 0 HA VAL A 27 8.158 3.302 2.515 1.00 0.00 H new ATOM 0 HB VAL A 27 6.971 5.187 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.047 7.206 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.298 7.000 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.612 6.620 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.837 5.336 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.373 4.625 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.873 3.671 0.057 1.00 0.00 H new ATOM 492 N ILE A 28 10.445 2.840 1.902 1.00 0.00 N ATOM 493 CA ILE A 28 11.779 2.416 1.642 1.00 0.00 C ATOM 494 C ILE A 28 12.189 2.819 0.231 1.00 0.00 C ATOM 495 O ILE A 28 13.324 3.216 0.004 1.00 0.00 O ATOM 496 CB ILE A 28 11.894 0.872 1.824 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.379 0.458 3.217 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.322 0.387 1.616 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.082 1.143 4.375 1.00 0.00 C ATOM 0 H ILE A 28 9.740 2.126 1.717 1.00 0.00 H new ATOM 0 HA ILE A 28 12.451 2.900 2.351 1.00 0.00 H new ATOM 0 HB ILE A 28 11.273 0.400 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.312 0.675 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.491 -0.621 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.362 -0.694 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.649 0.639 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.979 0.868 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.658 0.794 5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.146 0.906 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.948 2.222 4.295 1.00 0.00 H new ATOM 511 N HIS A 29 11.232 2.793 -0.693 1.00 0.00 N ATOM 512 CA HIS A 29 11.489 3.053 -2.127 1.00 0.00 C ATOM 513 C HIS A 29 10.189 3.253 -2.819 1.00 0.00 C ATOM 514 O HIS A 29 9.142 2.917 -2.281 1.00 0.00 O ATOM 515 CB HIS A 29 12.208 1.878 -2.856 1.00 0.00 C ATOM 516 CG HIS A 29 13.652 1.658 -2.523 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.102 0.529 -1.886 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.747 2.406 -2.772 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.409 0.593 -1.755 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.824 1.720 -2.286 1.00 0.00 N ATOM 0 H HIS A 29 10.255 2.593 -0.480 1.00 0.00 H new ATOM 0 HA HIS A 29 12.136 3.929 -2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.665 0.959 -2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.129 2.046 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.768 3.367 -3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.035 -0.154 -1.290 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.794 2.033 -2.329 1.00 0.00 H new ATOM 529 N LEU A 30 10.236 3.756 -4.003 1.00 0.00 N ATOM 530 CA LEU A 30 9.047 3.898 -4.783 1.00 0.00 C ATOM 531 C LEU A 30 9.041 2.835 -5.846 1.00 0.00 C ATOM 532 O LEU A 30 9.915 2.788 -6.692 1.00 0.00 O ATOM 533 CB LEU A 30 8.901 5.300 -5.419 1.00 0.00 C ATOM 534 CG LEU A 30 8.629 6.492 -4.470 1.00 0.00 C ATOM 535 CD1 LEU A 30 9.839 6.855 -3.625 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.152 7.686 -5.258 1.00 0.00 C ATOM 0 H LEU A 30 11.089 4.079 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 30 8.193 3.781 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.814 5.514 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.089 5.257 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 30 7.846 6.181 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.592 7.697 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.125 6.000 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.669 7.129 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.964 8.518 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.915 7.973 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.232 7.431 -5.783 1.00 0.00 H new ATOM 548 N ALA A 31 8.094 1.968 -5.777 1.00 0.00 N ATOM 549 CA ALA A 31 7.967 0.923 -6.755 1.00 0.00 C ATOM 550 C ALA A 31 7.105 1.359 -7.891 1.00 0.00 C ATOM 551 O ALA A 31 6.256 2.219 -7.764 1.00 0.00 O ATOM 552 CB ALA A 31 7.468 -0.392 -6.173 1.00 0.00 C ATOM 0 H ALA A 31 7.382 1.955 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 31 8.974 0.731 -7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.395 -1.137 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.165 -0.740 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.486 -0.242 -5.725 1.00 0.00 H new ATOM 558 N LYS A 32 7.333 0.774 -8.977 1.00 0.00 N ATOM 559 CA LYS A 32 6.644 1.065 -10.159 1.00 0.00 C ATOM 560 C LYS A 32 5.711 -0.073 -10.428 1.00 0.00 C ATOM 561 O LYS A 32 6.144 -1.225 -10.483 1.00 0.00 O ATOM 562 CB LYS A 32 7.676 1.247 -11.263 1.00 0.00 C ATOM 563 CG LYS A 32 7.138 1.591 -12.631 1.00 0.00 C ATOM 564 CD LYS A 32 8.288 2.043 -13.542 1.00 0.00 C ATOM 565 CE LYS A 32 9.352 0.964 -13.721 1.00 0.00 C ATOM 566 NZ LYS A 32 8.873 -0.161 -14.541 1.00 0.00 N ATOM 0 H LYS A 32 8.037 0.043 -9.081 1.00 0.00 H new ATOM 0 HA LYS A 32 6.055 1.980 -10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.367 2.033 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.256 0.328 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.638 0.725 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.393 2.382 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.887 2.319 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.749 2.937 -13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.235 1.401 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.659 0.593 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.681 -0.615 -15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.393 -0.854 -13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.207 0.191 -15.258 1.00 0.00 H new ATOM 580 N ALA A 33 4.428 0.223 -10.467 1.00 0.00 N ATOM 581 CA ALA A 33 3.444 -0.765 -10.787 1.00 0.00 C ATOM 582 C ALA A 33 3.624 -1.203 -12.213 1.00 0.00 C ATOM 583 O ALA A 33 3.292 -0.463 -13.138 1.00 0.00 O ATOM 584 CB ALA A 33 2.071 -0.199 -10.611 1.00 0.00 C ATOM 0 H ALA A 33 4.050 1.151 -10.278 1.00 0.00 H new ATOM 0 HA ALA A 33 3.565 -1.618 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.330 -0.959 -10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.937 0.116 -9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.944 0.659 -11.271 1.00 0.00 H new ATOM 590 N CYS A 34 4.185 -2.353 -12.388 1.00 0.00 N ATOM 591 CA CYS A 34 4.413 -2.877 -13.710 1.00 0.00 C ATOM 592 C CYS A 34 3.205 -3.653 -14.208 1.00 0.00 C ATOM 593 O CYS A 34 3.121 -3.986 -15.392 1.00 0.00 O ATOM 594 CB CYS A 34 5.675 -3.731 -13.734 1.00 0.00 C ATOM 595 SG CYS A 34 7.168 -2.817 -13.275 1.00 0.00 S ATOM 0 H CYS A 34 4.499 -2.959 -11.630 1.00 0.00 H new ATOM 0 HA CYS A 34 4.561 -2.039 -14.391 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.549 -4.572 -13.053 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.805 -4.147 -14.733 1.00 0.00 H new ATOM 0 HG CYS A 34 8.215 -3.441 -13.727 1.00 0.00 H new ATOM 601 N CYS A 35 2.266 -3.920 -13.318 1.00 0.00 N ATOM 602 CA CYS A 35 1.060 -4.632 -13.671 1.00 0.00 C ATOM 603 C CYS A 35 -0.163 -3.970 -13.042 1.00 0.00 C ATOM 604 O CYS A 35 -0.157 -3.654 -11.864 1.00 0.00 O ATOM 605 CB CYS A 35 1.151 -6.090 -13.203 1.00 0.00 C ATOM 606 SG CYS A 35 2.535 -7.011 -13.910 1.00 0.00 S ATOM 0 H CYS A 35 2.321 -3.649 -12.336 1.00 0.00 H new ATOM 0 HA CYS A 35 0.955 -4.605 -14.756 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.236 -6.106 -12.116 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.222 -6.600 -13.458 1.00 0.00 H new ATOM 0 HG CYS A 35 2.526 -8.228 -13.452 1.00 0.00 H new ATOM 612 N ASP A 36 -1.178 -3.728 -13.845 1.00 0.00 N ATOM 613 CA ASP A 36 -2.465 -3.228 -13.344 1.00 0.00 C ATOM 614 C ASP A 36 -3.237 -4.330 -12.705 1.00 0.00 C ATOM 615 O ASP A 36 -3.752 -5.231 -13.371 1.00 0.00 O ATOM 616 CB ASP A 36 -3.286 -2.531 -14.427 1.00 0.00 C ATOM 617 CG ASP A 36 -4.784 -2.398 -14.152 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.562 -3.317 -14.481 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.211 -1.347 -13.659 1.00 0.00 O ATOM 0 H ASP A 36 -1.147 -3.867 -14.855 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.247 -2.471 -12.590 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.875 -1.533 -14.581 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.156 -3.077 -15.361 1.00 0.00 H new ATOM 624 N VAL A 37 -3.224 -4.318 -11.439 1.00 0.00 N ATOM 625 CA VAL A 37 -3.920 -5.302 -10.668 1.00 0.00 C ATOM 626 C VAL A 37 -5.048 -4.611 -9.897 1.00 0.00 C ATOM 627 O VAL A 37 -4.989 -3.390 -9.654 1.00 0.00 O ATOM 628 CB VAL A 37 -2.958 -6.046 -9.700 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.573 -5.174 -8.555 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.525 -7.366 -9.213 1.00 0.00 C ATOM 0 H VAL A 37 -2.728 -3.622 -10.882 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.340 -6.054 -11.337 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.060 -6.283 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.900 -5.719 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.071 -4.282 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.467 -4.882 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.812 -7.842 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.460 -7.187 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.711 -8.019 -10.066 1.00 0.00 H new ATOM 640 N LYS A 38 -6.060 -5.340 -9.542 1.00 0.00 N ATOM 641 CA LYS A 38 -7.126 -4.785 -8.768 1.00 0.00 C ATOM 642 C LYS A 38 -7.416 -5.629 -7.537 1.00 0.00 C ATOM 643 O LYS A 38 -8.543 -6.108 -7.329 1.00 0.00 O ATOM 644 CB LYS A 38 -8.401 -4.471 -9.606 1.00 0.00 C ATOM 645 CG LYS A 38 -9.027 -5.631 -10.400 1.00 0.00 C ATOM 646 CD LYS A 38 -8.190 -6.078 -11.612 1.00 0.00 C ATOM 647 CE LYS A 38 -7.848 -4.911 -12.536 1.00 0.00 C ATOM 648 NZ LYS A 38 -7.069 -5.343 -13.712 1.00 0.00 N ATOM 0 H LYS A 38 -6.170 -6.326 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.781 -3.813 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.160 -4.076 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.155 -3.675 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.166 -6.482 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.017 -5.331 -10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.269 -6.546 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.739 -6.834 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.768 -4.431 -12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.281 -4.164 -11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.331 -4.640 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.626 -6.263 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.701 -5.431 -14.534 1.00 0.00 H new ATOM 662 N GLY A 39 -6.394 -5.843 -6.733 1.00 0.00 N ATOM 663 CA GLY A 39 -6.591 -6.589 -5.526 1.00 0.00 C ATOM 664 C GLY A 39 -6.473 -8.083 -5.710 1.00 0.00 C ATOM 665 O GLY A 39 -7.435 -8.824 -5.473 1.00 0.00 O ATOM 0 H GLY A 39 -5.442 -5.515 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.860 -6.264 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.577 -6.358 -5.123 1.00 0.00 H new ATOM 669 N GLY A 40 -5.321 -8.525 -6.146 1.00 0.00 N ATOM 670 CA GLY A 40 -5.099 -9.936 -6.406 1.00 0.00 C ATOM 671 C GLY A 40 -4.851 -10.720 -5.127 1.00 0.00 C ATOM 672 O GLY A 40 -3.702 -11.024 -4.796 1.00 0.00 O ATOM 0 H GLY A 40 -4.514 -7.929 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.965 -10.350 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.245 -10.051 -7.073 1.00 0.00 H new ATOM 676 N LYS A 41 -5.935 -11.010 -4.421 1.00 0.00 N ATOM 677 CA LYS A 41 -5.937 -11.744 -3.155 1.00 0.00 C ATOM 678 C LYS A 41 -5.264 -10.920 -2.063 1.00 0.00 C ATOM 679 O LYS A 41 -4.060 -11.079 -1.769 1.00 0.00 O ATOM 680 CB LYS A 41 -5.328 -13.151 -3.285 1.00 0.00 C ATOM 681 CG LYS A 41 -5.505 -14.030 -2.061 1.00 0.00 C ATOM 682 CD LYS A 41 -4.903 -15.398 -2.296 1.00 0.00 C ATOM 683 CE LYS A 41 -5.160 -16.343 -1.140 1.00 0.00 C ATOM 684 NZ LYS A 41 -4.570 -15.869 0.127 1.00 0.00 N ATOM 0 H LYS A 41 -6.870 -10.733 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.976 -11.902 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.779 -13.650 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.263 -13.054 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.031 -13.561 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.565 -14.129 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.318 -15.823 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.828 -15.299 -2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.235 -16.468 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.752 -17.324 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.657 -16.612 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.565 -15.645 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.072 -15.015 0.446 1.00 0.00 H new ATOM 698 N ASN A 42 -6.055 -10.000 -1.515 1.00 0.00 N ATOM 699 CA ASN A 42 -5.640 -9.032 -0.498 1.00 0.00 C ATOM 700 C ASN A 42 -4.475 -8.242 -1.003 1.00 0.00 C ATOM 701 O ASN A 42 -3.317 -8.513 -0.658 1.00 0.00 O ATOM 702 CB ASN A 42 -5.328 -9.675 0.871 1.00 0.00 C ATOM 703 CG ASN A 42 -6.523 -10.373 1.472 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.741 -11.563 1.243 1.00 0.00 O ATOM 705 ND2 ASN A 42 -7.296 -9.671 2.260 1.00 0.00 N ATOM 0 H ASN A 42 -7.037 -9.903 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.485 -8.367 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.515 -10.391 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.979 -8.905 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.104 -10.108 2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.091 -8.687 2.431 1.00 0.00 H new ATOM 712 N GLU A 43 -4.755 -7.339 -1.903 1.00 0.00 N ATOM 713 CA GLU A 43 -3.726 -6.592 -2.513 1.00 0.00 C ATOM 714 C GLU A 43 -4.219 -5.176 -2.763 1.00 0.00 C ATOM 715 O GLU A 43 -5.338 -4.827 -2.374 1.00 0.00 O ATOM 716 CB GLU A 43 -3.369 -7.311 -3.792 1.00 0.00 C ATOM 717 CG GLU A 43 -2.002 -7.032 -4.328 1.00 0.00 C ATOM 718 CD GLU A 43 -1.539 -8.182 -5.139 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.127 -9.200 -4.530 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.589 -8.127 -6.352 1.00 0.00 O ATOM 0 H GLU A 43 -5.697 -7.113 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.839 -6.511 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.462 -8.384 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.101 -7.044 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.017 -6.128 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.309 -6.851 -3.507 1.00 0.00 H new ATOM 727 N LEU A 44 -3.414 -4.385 -3.404 1.00 0.00 N ATOM 728 CA LEU A 44 -3.738 -3.017 -3.667 1.00 0.00 C ATOM 729 C LEU A 44 -4.263 -2.926 -5.075 1.00 0.00 C ATOM 730 O LEU A 44 -4.030 -3.824 -5.898 1.00 0.00 O ATOM 731 CB LEU A 44 -2.453 -2.172 -3.574 1.00 0.00 C ATOM 732 CG LEU A 44 -2.534 -0.827 -2.815 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.223 -0.143 -2.859 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.596 0.104 -3.329 1.00 0.00 C ATOM 0 H LEU A 44 -2.504 -4.674 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.476 -2.657 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.684 -2.781 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.113 -1.965 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.809 -1.079 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.288 0.803 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.467 -0.774 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.946 0.046 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.588 1.024 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.400 0.338 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.572 -0.373 -3.241 1.00 0.00 H new ATOM 746 N SER A 45 -4.998 -1.905 -5.340 1.00 0.00 N ATOM 747 CA SER A 45 -5.448 -1.665 -6.654 1.00 0.00 C ATOM 748 C SER A 45 -4.601 -0.558 -7.252 1.00 0.00 C ATOM 749 O SER A 45 -4.580 0.573 -6.743 1.00 0.00 O ATOM 750 CB SER A 45 -6.933 -1.329 -6.660 1.00 0.00 C ATOM 751 OG SER A 45 -7.668 -2.330 -5.956 1.00 0.00 O ATOM 0 H SER A 45 -5.301 -1.217 -4.650 1.00 0.00 H new ATOM 0 HA SER A 45 -5.336 -2.560 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.095 -0.356 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.293 -1.258 -7.686 1.00 0.00 H new ATOM 0 HG SER A 45 -8.621 -2.103 -5.965 1.00 0.00 H new ATOM 757 N PHE A 46 -3.872 -0.898 -8.276 1.00 0.00 N ATOM 758 CA PHE A 46 -2.985 0.016 -8.931 1.00 0.00 C ATOM 759 C PHE A 46 -2.895 -0.306 -10.379 1.00 0.00 C ATOM 760 O PHE A 46 -3.104 -1.454 -10.786 1.00 0.00 O ATOM 761 CB PHE A 46 -1.595 0.020 -8.286 1.00 0.00 C ATOM 762 CG PHE A 46 -0.991 -1.329 -8.049 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.245 -1.955 -9.027 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.135 -1.948 -6.832 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.347 -3.171 -8.791 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.560 -3.161 -6.593 1.00 0.00 C ATOM 767 CZ PHE A 46 0.190 -3.776 -7.572 1.00 0.00 C ATOM 0 H PHE A 46 -3.878 -1.833 -8.684 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.395 1.020 -8.818 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.921 0.594 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.658 0.544 -7.332 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.125 -1.482 -9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.711 -1.468 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.933 -3.648 -9.562 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.693 -3.641 -5.635 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.653 -4.732 -7.379 1.00 0.00 H new ATOM 777 N LYS A 47 -2.589 0.676 -11.141 1.00 0.00 N ATOM 778 CA LYS A 47 -2.532 0.544 -12.556 1.00 0.00 C ATOM 779 C LYS A 47 -1.090 0.524 -12.997 1.00 0.00 C ATOM 780 O LYS A 47 -0.238 1.031 -12.304 1.00 0.00 O ATOM 781 CB LYS A 47 -3.293 1.709 -13.186 1.00 0.00 C ATOM 782 CG LYS A 47 -4.789 1.701 -12.863 1.00 0.00 C ATOM 783 CD LYS A 47 -5.515 2.898 -13.451 1.00 0.00 C ATOM 784 CE LYS A 47 -7.016 2.848 -13.157 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.708 1.737 -13.871 1.00 0.00 N ATOM 0 H LYS A 47 -2.367 1.611 -10.799 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.995 -0.389 -12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.859 2.647 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.162 1.677 -14.268 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.236 0.784 -13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.924 1.693 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.094 3.816 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.356 2.927 -14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.168 2.734 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.470 3.797 -13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.735 1.821 -13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.491 1.789 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.381 0.825 -13.493 1.00 0.00 H new ATOM 799 N GLN A 48 -0.806 -0.136 -14.092 1.00 0.00 N ATOM 800 CA GLN A 48 0.525 -0.143 -14.674 1.00 0.00 C ATOM 801 C GLN A 48 0.955 1.324 -14.919 1.00 0.00 C ATOM 802 O GLN A 48 0.346 2.033 -15.733 1.00 0.00 O ATOM 803 CB GLN A 48 0.475 -0.974 -15.978 1.00 0.00 C ATOM 804 CG GLN A 48 1.814 -1.380 -16.597 1.00 0.00 C ATOM 805 CD GLN A 48 2.593 -0.258 -17.237 1.00 0.00 C ATOM 806 OE1 GLN A 48 3.413 0.399 -16.597 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.371 -0.056 -18.496 1.00 0.00 N ATOM 0 H GLN A 48 -1.489 -0.687 -14.611 1.00 0.00 H new ATOM 0 HA GLN A 48 1.262 -0.599 -14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.095 -1.882 -15.779 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.082 -0.404 -16.721 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.432 -1.833 -15.822 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.631 -2.148 -17.348 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.682 -0.623 -18.990 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.885 0.671 -18.994 1.00 0.00 H new ATOM 816 N GLY A 49 1.975 1.762 -14.185 1.00 0.00 N ATOM 817 CA GLY A 49 2.435 3.149 -14.229 1.00 0.00 C ATOM 818 C GLY A 49 1.843 3.989 -13.093 1.00 0.00 C ATOM 819 O GLY A 49 1.790 5.220 -13.168 1.00 0.00 O ATOM 0 H GLY A 49 2.504 1.169 -13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.523 3.172 -14.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.161 3.591 -15.187 1.00 0.00 H new ATOM 823 N GLU A 50 1.403 3.313 -12.046 1.00 0.00 N ATOM 824 CA GLU A 50 0.735 3.949 -10.897 1.00 0.00 C ATOM 825 C GLU A 50 1.718 4.719 -10.034 1.00 0.00 C ATOM 826 O GLU A 50 1.442 5.848 -9.609 1.00 0.00 O ATOM 827 CB GLU A 50 0.094 2.864 -10.031 1.00 0.00 C ATOM 828 CG GLU A 50 -0.793 3.362 -8.921 1.00 0.00 C ATOM 829 CD GLU A 50 -1.997 4.064 -9.443 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.841 3.414 -10.085 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.138 5.279 -9.202 1.00 0.00 O ATOM 0 H GLU A 50 1.494 2.301 -11.958 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.011 4.643 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.492 2.209 -10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.887 2.256 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.104 2.522 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.227 4.039 -8.281 1.00 0.00 H new ATOM 838 N GLN A 51 2.847 4.075 -9.795 1.00 0.00 N ATOM 839 CA GLN A 51 3.903 4.533 -8.876 1.00 0.00 C ATOM 840 C GLN A 51 3.445 4.313 -7.433 1.00 0.00 C ATOM 841 O GLN A 51 2.542 4.989 -6.916 1.00 0.00 O ATOM 842 CB GLN A 51 4.366 5.976 -9.133 1.00 0.00 C ATOM 843 CG GLN A 51 5.531 6.409 -8.256 1.00 0.00 C ATOM 844 CD GLN A 51 5.997 7.827 -8.530 1.00 0.00 C ATOM 845 OE1 GLN A 51 7.184 8.145 -8.369 1.00 0.00 O ATOM 846 NE2 GLN A 51 5.103 8.687 -8.944 1.00 0.00 N ATOM 0 H GLN A 51 3.072 3.188 -10.245 1.00 0.00 H new ATOM 0 HA GLN A 51 4.792 3.931 -9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.654 6.075 -10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.527 6.652 -8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.238 6.326 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.365 5.724 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.133 8.395 -9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.375 9.649 -9.144 1.00 0.00 H new ATOM 855 N ILE A 52 4.045 3.341 -6.827 1.00 0.00 N ATOM 856 CA ILE A 52 3.680 2.853 -5.531 1.00 0.00 C ATOM 857 C ILE A 52 4.847 3.099 -4.601 1.00 0.00 C ATOM 858 O ILE A 52 5.933 3.382 -5.052 1.00 0.00 O ATOM 859 CB ILE A 52 3.422 1.318 -5.634 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.552 1.038 -6.856 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.773 0.756 -4.367 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.060 -0.359 -6.944 1.00 0.00 C ATOM 0 H ILE A 52 4.836 2.843 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 52 2.785 3.353 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 52 4.383 0.815 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.696 1.713 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.123 1.268 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.612 -0.316 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.428 0.933 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.816 1.250 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.450 -0.474 -7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.909 -1.041 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.459 -0.589 -6.064 1.00 0.00 H new ATOM 874 N GLU A 53 4.636 3.030 -3.339 1.00 0.00 N ATOM 875 CA GLU A 53 5.710 3.157 -2.410 1.00 0.00 C ATOM 876 C GLU A 53 5.827 1.851 -1.658 1.00 0.00 C ATOM 877 O GLU A 53 4.811 1.293 -1.237 1.00 0.00 O ATOM 878 CB GLU A 53 5.424 4.259 -1.433 1.00 0.00 C ATOM 879 CG GLU A 53 4.870 5.531 -2.055 1.00 0.00 C ATOM 880 CD GLU A 53 4.530 6.559 -1.025 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.588 6.340 -0.247 1.00 0.00 O ATOM 882 OE2 GLU A 53 5.191 7.615 -0.972 1.00 0.00 O ATOM 0 H GLU A 53 3.719 2.885 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 53 6.634 3.390 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.713 3.894 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.343 4.502 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.602 5.943 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.979 5.292 -2.636 1.00 0.00 H new ATOM 889 N ILE A 54 7.024 1.344 -1.526 1.00 0.00 N ATOM 890 CA ILE A 54 7.235 0.119 -0.790 1.00 0.00 C ATOM 891 C ILE A 54 7.548 0.479 0.656 1.00 0.00 C ATOM 892 O ILE A 54 8.435 1.299 0.924 1.00 0.00 O ATOM 893 CB ILE A 54 8.374 -0.786 -1.414 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.508 -2.106 -0.672 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.708 -0.095 -1.464 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.332 -3.016 -0.833 1.00 0.00 C ATOM 0 H ILE A 54 7.870 1.758 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 54 6.326 -0.479 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 54 8.064 -0.983 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.403 -2.620 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.654 -1.902 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.449 -0.765 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.629 0.806 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.015 0.176 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.504 -3.936 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.436 -2.524 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.197 -3.253 -1.888 1.00 0.00 H new ATOM 908 N ILE A 55 6.793 -0.057 1.564 1.00 0.00 N ATOM 909 CA ILE A 55 6.981 0.257 2.969 1.00 0.00 C ATOM 910 C ILE A 55 7.516 -0.921 3.783 1.00 0.00 C ATOM 911 O ILE A 55 8.333 -0.728 4.678 1.00 0.00 O ATOM 912 CB ILE A 55 5.736 0.908 3.658 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.427 0.186 3.311 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.632 2.397 3.324 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.821 0.568 1.981 1.00 0.00 C ATOM 0 H ILE A 55 6.038 -0.715 1.370 1.00 0.00 H new ATOM 0 HA ILE A 55 7.755 1.025 2.962 1.00 0.00 H new ATOM 0 HB ILE A 55 5.888 0.802 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.610 -0.888 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.699 0.388 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.757 2.820 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.528 2.911 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.536 2.522 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.900 0.006 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.600 1.635 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.525 0.339 1.181 1.00 0.00 H new ATOM 927 N ARG A 56 7.071 -2.138 3.483 1.00 0.00 N ATOM 928 CA ARG A 56 7.623 -3.300 4.159 1.00 0.00 C ATOM 929 C ARG A 56 7.881 -4.426 3.166 1.00 0.00 C ATOM 930 O ARG A 56 7.038 -4.732 2.311 1.00 0.00 O ATOM 931 CB ARG A 56 6.798 -3.784 5.384 1.00 0.00 C ATOM 932 CG ARG A 56 7.484 -4.952 6.099 1.00 0.00 C ATOM 933 CD ARG A 56 7.042 -5.153 7.538 1.00 0.00 C ATOM 934 NE ARG A 56 7.541 -4.097 8.410 1.00 0.00 N ATOM 935 CZ ARG A 56 7.392 -4.051 9.734 1.00 0.00 C ATOM 936 NH1 ARG A 56 6.732 -5.017 10.381 1.00 0.00 N ATOM 937 NH2 ARG A 56 7.935 -3.050 10.407 1.00 0.00 N ATOM 0 H ARG A 56 6.347 -2.340 2.793 1.00 0.00 H new ATOM 0 HA ARG A 56 8.575 -2.978 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.663 -2.958 6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.804 -4.090 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.290 -5.868 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.562 -4.790 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.953 -5.178 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.398 -6.119 7.896 1.00 0.00 H new ATOM 0 HE ARG A 56 8.047 -3.328 7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.336 -5.800 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.625 -4.971 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.459 -2.328 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.830 -3.000 11.420 1.00 0.00 H new ATOM 951 N ILE A 57 9.049 -5.005 3.280 1.00 0.00 N ATOM 952 CA ILE A 57 9.544 -6.058 2.403 1.00 0.00 C ATOM 953 C ILE A 57 10.011 -7.268 3.184 1.00 0.00 C ATOM 954 O ILE A 57 10.126 -8.354 2.624 1.00 0.00 O ATOM 955 CB ILE A 57 10.723 -5.598 1.456 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.737 -4.650 2.144 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.218 -5.002 0.165 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.212 -3.242 2.388 1.00 0.00 C ATOM 0 H ILE A 57 9.714 -4.753 4.011 1.00 0.00 H new ATOM 0 HA ILE A 57 8.687 -6.315 1.781 1.00 0.00 H new ATOM 0 HB ILE A 57 11.267 -6.512 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.034 -5.085 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.635 -4.589 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.064 -4.701 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.624 -5.743 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.600 -4.131 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.984 -2.645 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.943 -2.784 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.332 -3.288 3.030 1.00 0.00 H new ATOM 970 N THR A 58 10.294 -7.088 4.453 1.00 0.00 N ATOM 971 CA THR A 58 10.751 -8.179 5.269 1.00 0.00 C ATOM 972 C THR A 58 9.658 -8.782 6.130 1.00 0.00 C ATOM 973 O THR A 58 8.763 -8.070 6.609 1.00 0.00 O ATOM 974 CB THR A 58 11.985 -7.800 6.099 1.00 0.00 C ATOM 975 OG1 THR A 58 11.876 -6.437 6.590 1.00 0.00 O ATOM 976 CG2 THR A 58 13.234 -7.960 5.264 1.00 0.00 C ATOM 0 H THR A 58 10.215 -6.195 4.939 1.00 0.00 H new ATOM 0 HA THR A 58 11.053 -8.962 4.573 1.00 0.00 H new ATOM 0 HB THR A 58 12.045 -8.467 6.959 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.671 -6.215 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.106 -7.689 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.324 -8.996 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.174 -7.310 4.391 1.00 0.00 H new ATOM 984 N ASP A 59 9.746 -10.104 6.285 1.00 0.00 N ATOM 985 CA ASP A 59 8.803 -10.925 7.040 1.00 0.00 C ATOM 986 C ASP A 59 7.414 -10.792 6.463 1.00 0.00 C ATOM 987 O ASP A 59 6.511 -10.174 7.036 1.00 0.00 O ATOM 988 CB ASP A 59 8.847 -10.655 8.551 1.00 0.00 C ATOM 989 CG ASP A 59 7.982 -11.605 9.353 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.119 -12.840 9.195 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.219 -11.141 10.224 1.00 0.00 O ATOM 0 H ASP A 59 10.503 -10.650 5.873 1.00 0.00 H new ATOM 0 HA ASP A 59 9.112 -11.965 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.878 -10.732 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.523 -9.632 8.740 1.00 0.00 H new ATOM 996 N ASN A 60 7.292 -11.301 5.278 1.00 0.00 N ATOM 997 CA ASN A 60 6.067 -11.220 4.513 1.00 0.00 C ATOM 998 C ASN A 60 5.168 -12.379 4.883 1.00 0.00 C ATOM 999 O ASN A 60 5.624 -13.525 4.899 1.00 0.00 O ATOM 1000 CB ASN A 60 6.360 -11.324 3.016 1.00 0.00 C ATOM 1001 CG ASN A 60 7.460 -10.403 2.524 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.628 -10.760 2.543 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.106 -9.263 2.029 1.00 0.00 N ATOM 0 H ASN A 60 8.046 -11.794 4.799 1.00 0.00 H new ATOM 0 HA ASN A 60 5.590 -10.265 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.634 -12.353 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.446 -11.105 2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.810 -8.635 1.641 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.123 -8.991 2.027 1.00 0.00 H new ATOM 1010 N PRO A 61 3.887 -12.117 5.183 1.00 0.00 N ATOM 1011 CA PRO A 61 2.917 -13.169 5.508 1.00 0.00 C ATOM 1012 C PRO A 61 2.819 -14.236 4.397 1.00 0.00 C ATOM 1013 O PRO A 61 3.257 -15.376 4.575 1.00 0.00 O ATOM 1014 CB PRO A 61 1.581 -12.413 5.667 1.00 0.00 C ATOM 1015 CG PRO A 61 1.827 -11.047 5.108 1.00 0.00 C ATOM 1016 CD PRO A 61 3.289 -10.778 5.283 1.00 0.00 C ATOM 0 HA PRO A 61 3.204 -13.720 6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.778 -12.918 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.282 -12.361 6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.547 -11.001 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.229 -10.300 5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.671 -10.107 4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.501 -10.312 6.245 1.00 0.00 H new ATOM 1024 N GLU A 62 2.322 -13.842 3.233 1.00 0.00 N ATOM 1025 CA GLU A 62 2.150 -14.778 2.119 1.00 0.00 C ATOM 1026 C GLU A 62 3.349 -14.742 1.191 1.00 0.00 C ATOM 1027 O GLU A 62 3.432 -15.502 0.222 1.00 0.00 O ATOM 1028 CB GLU A 62 0.890 -14.443 1.326 1.00 0.00 C ATOM 1029 CG GLU A 62 -0.387 -14.519 2.129 1.00 0.00 C ATOM 1030 CD GLU A 62 -1.604 -14.244 1.295 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -2.064 -15.172 0.587 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -2.145 -13.115 1.352 1.00 0.00 O ATOM 0 H GLU A 62 2.030 -12.886 3.031 1.00 0.00 H new ATOM 0 HA GLU A 62 2.057 -15.779 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.989 -13.438 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.815 -15.126 0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.473 -15.509 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.341 -13.801 2.948 1.00 0.00 H new ATOM 1039 N GLY A 63 4.269 -13.856 1.485 1.00 0.00 N ATOM 1040 CA GLY A 63 5.427 -13.677 0.640 1.00 0.00 C ATOM 1041 C GLY A 63 5.342 -12.380 -0.116 1.00 0.00 C ATOM 1042 O GLY A 63 6.343 -11.864 -0.607 1.00 0.00 O ATOM 0 H GLY A 63 4.240 -13.247 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.332 -13.690 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.502 -14.508 -0.062 1.00 0.00 H new ATOM 1046 N LYS A 64 4.145 -11.835 -0.167 1.00 0.00 N ATOM 1047 CA LYS A 64 3.892 -10.602 -0.860 1.00 0.00 C ATOM 1048 C LYS A 64 4.380 -9.396 -0.025 1.00 0.00 C ATOM 1049 O LYS A 64 4.432 -9.474 1.207 1.00 0.00 O ATOM 1050 CB LYS A 64 2.389 -10.513 -1.256 1.00 0.00 C ATOM 1051 CG LYS A 64 1.374 -10.351 -0.128 1.00 0.00 C ATOM 1052 CD LYS A 64 0.166 -11.297 -0.301 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.518 -11.219 -1.686 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.274 -9.970 -1.927 1.00 0.00 N ATOM 0 H LYS A 64 3.320 -12.241 0.275 1.00 0.00 H new ATOM 0 HA LYS A 64 4.464 -10.577 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.270 -9.672 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.133 -11.415 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.858 -10.551 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.026 -9.319 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.496 -12.322 -0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.572 -11.067 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.243 -11.323 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.197 -12.066 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.527 -9.906 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.140 -9.972 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.687 -9.153 -1.665 1.00 0.00 H new ATOM 1068 N TRP A 65 4.734 -8.316 -0.707 1.00 0.00 N ATOM 1069 CA TRP A 65 5.301 -7.097 -0.098 1.00 0.00 C ATOM 1070 C TRP A 65 4.198 -6.169 0.341 1.00 0.00 C ATOM 1071 O TRP A 65 3.048 -6.461 0.147 1.00 0.00 O ATOM 1072 CB TRP A 65 6.197 -6.331 -1.082 1.00 0.00 C ATOM 1073 CG TRP A 65 7.514 -6.957 -1.400 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.237 -7.796 -0.612 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.299 -6.745 -2.587 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.402 -8.145 -1.236 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.467 -7.512 -2.449 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.120 -5.994 -3.760 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.449 -7.549 -3.427 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.099 -6.033 -4.725 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.248 -6.806 -4.555 1.00 0.00 C ATOM 0 H TRP A 65 4.638 -8.250 -1.720 1.00 0.00 H new ATOM 0 HA TRP A 65 5.897 -7.420 0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.647 -6.198 -2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.380 -5.336 -0.675 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.934 -8.138 0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.109 -8.776 -0.859 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.231 -5.397 -3.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.341 -8.144 -3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.976 -5.456 -5.629 1.00 0.00 H new ATOM 0 HH2 TRP A 65 10.996 -6.817 -5.334 1.00 0.00 H new ATOM 1092 N LEU A 66 4.549 -5.068 0.955 1.00 0.00 N ATOM 1093 CA LEU A 66 3.567 -4.097 1.357 1.00 0.00 C ATOM 1094 C LEU A 66 3.766 -2.828 0.569 1.00 0.00 C ATOM 1095 O LEU A 66 4.796 -2.151 0.725 1.00 0.00 O ATOM 1096 CB LEU A 66 3.662 -3.795 2.851 1.00 0.00 C ATOM 1097 CG LEU A 66 2.605 -2.836 3.389 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.229 -3.403 3.192 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.842 -2.546 4.844 1.00 0.00 C ATOM 0 H LEU A 66 5.511 -4.822 1.188 1.00 0.00 H new ATOM 0 HA LEU A 66 2.577 -4.509 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.591 -4.734 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.647 -3.378 3.059 1.00 0.00 H new ATOM 0 HG LEU A 66 2.681 -1.902 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.488 -2.705 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.051 -3.565 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.147 -4.352 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.077 -1.860 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.796 -3.475 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.825 -2.092 4.969 1.00 0.00 H new ATOM 1111 N GLY A 67 2.807 -2.504 -0.265 1.00 0.00 N ATOM 1112 CA GLY A 67 2.897 -1.322 -1.066 1.00 0.00 C ATOM 1113 C GLY A 67 1.778 -0.372 -0.746 1.00 0.00 C ATOM 1114 O GLY A 67 0.720 -0.796 -0.269 1.00 0.00 O ATOM 0 H GLY A 67 1.956 -3.049 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.856 -0.833 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.862 -1.590 -2.122 1.00 0.00 H new ATOM 1118 N ARG A 68 2.004 0.895 -0.978 1.00 0.00 N ATOM 1119 CA ARG A 68 1.028 1.922 -0.687 1.00 0.00 C ATOM 1120 C ARG A 68 0.958 2.930 -1.812 1.00 0.00 C ATOM 1121 O ARG A 68 1.927 3.155 -2.523 1.00 0.00 O ATOM 1122 CB ARG A 68 1.383 2.635 0.635 1.00 0.00 C ATOM 1123 CG ARG A 68 0.445 3.752 1.066 1.00 0.00 C ATOM 1124 CD ARG A 68 0.985 4.535 2.238 1.00 0.00 C ATOM 1125 NE ARG A 68 2.191 5.282 1.915 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.968 5.915 2.805 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.601 6.029 4.082 1.00 0.00 N ATOM 1128 NH2 ARG A 68 4.055 6.509 2.378 1.00 0.00 N ATOM 0 H ARG A 68 2.874 1.249 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 68 0.052 1.446 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.416 1.889 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.388 3.047 0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.279 4.427 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.524 3.328 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.219 5.226 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.197 3.850 3.059 1.00 0.00 H new ATOM 0 HE ARG A 68 2.467 5.328 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.716 5.631 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.205 6.514 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.294 6.483 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.662 6.997 3.037 1.00 0.00 H new ATOM 1142 N THR A 69 -0.188 3.517 -1.947 1.00 0.00 N ATOM 1143 CA THR A 69 -0.425 4.574 -2.897 1.00 0.00 C ATOM 1144 C THR A 69 -0.368 5.877 -2.088 1.00 0.00 C ATOM 1145 O THR A 69 -0.573 5.821 -0.880 1.00 0.00 O ATOM 1146 CB THR A 69 -1.822 4.378 -3.538 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.929 3.021 -3.996 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.018 5.293 -4.725 1.00 0.00 C ATOM 0 H THR A 69 -1.008 3.275 -1.391 1.00 0.00 H new ATOM 0 HA THR A 69 0.307 4.586 -3.705 1.00 0.00 H new ATOM 0 HB THR A 69 -2.579 4.609 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.810 2.882 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.008 5.130 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.928 6.331 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.259 5.080 -5.478 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.094 7.012 -2.724 1.00 0.00 N ATOM 1157 CA ALA A 70 0.076 8.315 -2.029 1.00 0.00 C ATOM 1158 C ALA A 70 -1.065 8.641 -1.041 1.00 0.00 C ATOM 1159 O ALA A 70 -0.837 9.247 0.010 1.00 0.00 O ATOM 1160 CB ALA A 70 0.233 9.433 -3.047 1.00 0.00 C ATOM 0 H ALA A 70 0.019 7.070 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 70 0.982 8.230 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.357 10.383 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.109 9.241 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.654 9.478 -3.678 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.271 8.209 -1.371 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.453 8.442 -0.523 1.00 0.00 C ATOM 1168 C ARG A 71 -3.459 7.563 0.735 1.00 0.00 C ATOM 1169 O ARG A 71 -4.257 7.778 1.648 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.730 8.194 -1.309 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.899 6.760 -1.788 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.242 6.567 -2.436 1.00 0.00 C ATOM 1173 NE ARG A 71 -6.442 5.203 -2.928 1.00 0.00 N ATOM 1174 CZ ARG A 71 -7.149 4.882 -4.024 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.607 5.837 -4.830 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -7.385 3.616 -4.318 1.00 0.00 N ATOM 0 H ARG A 71 -2.469 7.689 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.404 9.483 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.584 8.460 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.746 8.858 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.109 6.514 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.795 6.076 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.025 6.808 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.344 7.267 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.014 4.442 -2.401 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.421 6.817 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.143 5.589 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.030 2.877 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.922 3.378 -5.151 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.595 6.585 0.772 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.548 5.679 1.881 1.00 0.00 C ATOM 1192 C GLY A 72 -3.550 4.565 1.736 1.00 0.00 C ATOM 1193 O GLY A 72 -4.676 4.636 2.236 1.00 0.00 O ATOM 0 H GLY A 72 -1.910 6.397 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.546 5.258 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.742 6.225 2.804 1.00 0.00 H new ATOM 1197 N SER A 73 -3.121 3.557 1.073 1.00 0.00 N ATOM 1198 CA SER A 73 -3.833 2.396 0.767 1.00 0.00 C ATOM 1199 C SER A 73 -2.725 1.421 0.691 1.00 0.00 C ATOM 1200 O SER A 73 -1.785 1.627 -0.058 1.00 0.00 O ATOM 1201 CB SER A 73 -4.501 2.489 -0.599 1.00 0.00 C ATOM 1202 OG SER A 73 -5.289 3.672 -0.739 1.00 0.00 O ATOM 0 H SER A 73 -2.172 3.532 0.701 1.00 0.00 H new ATOM 0 HA SER A 73 -4.631 2.170 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.737 2.470 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.133 1.614 -0.752 1.00 0.00 H new ATOM 0 HG SER A 73 -6.239 3.432 -0.757 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.795 0.462 1.462 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.744 -0.470 1.658 1.00 0.00 C ATOM 1210 C TYR A 74 -2.202 -1.794 1.195 1.00 0.00 C ATOM 1211 O TYR A 74 -2.832 -2.558 1.939 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.419 -0.570 3.115 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.609 0.537 3.761 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.193 1.727 4.180 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.739 0.358 3.995 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.438 2.704 4.808 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.494 1.320 4.625 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.913 2.484 5.027 1.00 0.00 C ATOM 1219 OH TYR A 74 1.684 3.448 5.656 1.00 0.00 O ATOM 0 H TYR A 74 -3.623 0.263 2.024 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.862 -0.145 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.361 -0.650 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.881 -1.505 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.247 1.892 4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.212 -0.559 3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.898 3.629 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.546 1.152 4.801 1.00 0.00 H new ATOM 0 HH TYR A 74 2.608 3.131 5.730 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.972 -2.048 -0.001 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.335 -3.267 -0.524 1.00 0.00 C ATOM 1231 C GLY A 75 -1.134 -4.056 -0.715 1.00 0.00 C ATOM 1232 O GLY A 75 -0.375 -3.803 -1.634 1.00 0.00 O ATOM 0 H GLY A 75 -1.521 -1.410 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.023 -3.779 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.856 -3.133 -1.472 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.896 -4.873 0.249 1.00 0.00 N ATOM 1237 CA TYR A 76 0.182 -5.858 0.257 1.00 0.00 C ATOM 1238 C TYR A 76 0.285 -6.571 -1.107 1.00 0.00 C ATOM 1239 O TYR A 76 -0.431 -7.515 -1.399 1.00 0.00 O ATOM 1240 CB TYR A 76 0.002 -6.867 1.428 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.227 -6.586 2.283 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.178 -5.731 3.381 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.441 -7.148 1.961 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.309 -5.453 4.109 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.571 -6.883 2.688 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.507 -6.033 3.757 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.652 -5.759 4.488 1.00 0.00 O ATOM 0 H TYR A 76 -1.458 -4.892 1.100 1.00 0.00 H new ATOM 0 HA TYR A 76 1.125 -5.336 0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.070 -7.876 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.889 -6.841 2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.238 -5.280 3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.504 -7.815 1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.259 -4.782 4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.510 -7.344 2.418 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.410 -6.249 4.105 1.00 0.00 H new ATOM 1257 N ILE A 77 1.161 -6.039 -1.917 1.00 0.00 N ATOM 1258 CA ILE A 77 1.410 -6.398 -3.268 1.00 0.00 C ATOM 1259 C ILE A 77 2.052 -7.676 -3.446 1.00 0.00 C ATOM 1260 O ILE A 77 2.964 -8.043 -2.721 1.00 0.00 O ATOM 1261 CB ILE A 77 2.367 -5.408 -3.908 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.469 -4.982 -2.917 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.633 -4.232 -4.441 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.444 -3.982 -3.460 1.00 0.00 C ATOM 0 H ILE A 77 1.766 -5.277 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 77 0.417 -6.418 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 77 2.855 -5.903 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.998 -4.564 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.017 -5.869 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.340 -3.537 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.915 -4.561 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.105 -3.734 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.182 -3.741 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.948 -4.401 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.912 -3.076 -3.749 1.00 0.00 H new ATOM 1276 N LYS A 78 1.659 -8.330 -4.459 1.00 0.00 N ATOM 1277 CA LYS A 78 2.370 -9.404 -4.868 1.00 0.00 C ATOM 1278 C LYS A 78 3.547 -8.792 -5.616 1.00 0.00 C ATOM 1279 O LYS A 78 3.397 -7.969 -6.511 1.00 0.00 O ATOM 1280 CB LYS A 78 1.550 -10.371 -5.719 1.00 0.00 C ATOM 1281 CG LYS A 78 1.165 -9.850 -7.063 1.00 0.00 C ATOM 1282 CD LYS A 78 0.387 -10.878 -7.900 1.00 0.00 C ATOM 1283 CE LYS A 78 -1.099 -11.021 -7.508 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.320 -11.347 -6.081 1.00 0.00 N ATOM 0 H LYS A 78 0.830 -8.115 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 78 2.693 -10.031 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.121 -11.290 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.644 -10.634 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.557 -8.954 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.064 -9.553 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.448 -10.595 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.871 -11.850 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.616 -10.090 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.552 -11.800 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.316 -11.609 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.709 -12.143 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.090 -10.518 -5.496 1.00 0.00 H new ATOM 1298 N THR A 79 4.637 -9.049 -5.072 1.00 0.00 N ATOM 1299 CA THR A 79 5.991 -8.678 -5.516 1.00 0.00 C ATOM 1300 C THR A 79 6.173 -8.700 -7.052 1.00 0.00 C ATOM 1301 O THR A 79 6.948 -7.933 -7.601 1.00 0.00 O ATOM 1302 CB THR A 79 7.018 -9.671 -4.895 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.789 -11.003 -5.398 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.862 -9.731 -3.394 1.00 0.00 C ATOM 0 H THR A 79 4.668 -9.582 -4.203 1.00 0.00 H new ATOM 0 HA THR A 79 6.153 -7.653 -5.184 1.00 0.00 H new ATOM 0 HB THR A 79 8.014 -9.319 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.441 -11.619 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.589 -10.430 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.030 -8.741 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.855 -10.066 -3.146 1.00 0.00 H new ATOM 1312 N THR A 80 5.439 -9.550 -7.713 1.00 0.00 N ATOM 1313 CA THR A 80 5.505 -9.703 -9.130 1.00 0.00 C ATOM 1314 C THR A 80 4.607 -8.648 -9.869 1.00 0.00 C ATOM 1315 O THR A 80 4.531 -8.634 -11.097 1.00 0.00 O ATOM 1316 CB THR A 80 5.066 -11.142 -9.487 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.235 -11.413 -10.879 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.623 -11.352 -9.083 1.00 0.00 C ATOM 0 H THR A 80 4.763 -10.169 -7.266 1.00 0.00 H new ATOM 0 HA THR A 80 6.529 -9.531 -9.461 1.00 0.00 H new ATOM 0 HB THR A 80 5.702 -11.836 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.075 -10.594 -11.393 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.318 -12.367 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.520 -11.200 -8.009 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.990 -10.640 -9.612 1.00 0.00 H new ATOM 1326 N ALA A 81 3.911 -7.787 -9.135 1.00 0.00 N ATOM 1327 CA ALA A 81 3.086 -6.780 -9.776 1.00 0.00 C ATOM 1328 C ALA A 81 3.819 -5.455 -9.827 1.00 0.00 C ATOM 1329 O ALA A 81 3.418 -4.522 -10.538 1.00 0.00 O ATOM 1330 CB ALA A 81 1.759 -6.636 -9.051 1.00 0.00 C ATOM 0 H ALA A 81 3.903 -7.768 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 81 2.880 -7.098 -10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.154 -5.876 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.230 -7.589 -9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.939 -6.339 -8.018 1.00 0.00 H new ATOM 1336 N VAL A 82 4.904 -5.370 -9.090 1.00 0.00 N ATOM 1337 CA VAL A 82 5.686 -4.158 -9.030 1.00 0.00 C ATOM 1338 C VAL A 82 7.141 -4.462 -9.142 1.00 0.00 C ATOM 1339 O VAL A 82 7.568 -5.616 -9.041 1.00 0.00 O ATOM 1340 CB VAL A 82 5.496 -3.374 -7.700 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.076 -2.908 -7.519 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.946 -4.206 -6.506 1.00 0.00 C ATOM 0 H VAL A 82 5.266 -6.134 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 82 5.334 -3.549 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 82 6.126 -2.486 -7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.988 -2.365 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.801 -2.251 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.409 -3.770 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.802 -3.634 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.357 -5.122 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.001 -4.458 -6.615 1.00 0.00 H new ATOM 1352 N GLU A 83 7.885 -3.440 -9.364 1.00 0.00 N ATOM 1353 CA GLU A 83 9.313 -3.474 -9.333 1.00 0.00 C ATOM 1354 C GLU A 83 9.738 -2.207 -8.677 1.00 0.00 C ATOM 1355 O GLU A 83 9.307 -1.128 -9.097 1.00 0.00 O ATOM 1356 CB GLU A 83 9.889 -3.578 -10.737 1.00 0.00 C ATOM 1357 CG GLU A 83 9.525 -4.877 -11.431 1.00 0.00 C ATOM 1358 CD GLU A 83 10.121 -5.038 -12.787 1.00 0.00 C ATOM 1359 OE1 GLU A 83 9.502 -4.605 -13.779 1.00 0.00 O ATOM 1360 OE2 GLU A 83 11.187 -5.656 -12.906 1.00 0.00 O ATOM 0 H GLU A 83 7.507 -2.518 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 83 9.675 -4.346 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.530 -2.740 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.974 -3.491 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.844 -5.711 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.440 -4.939 -11.515 1.00 0.00 H new ATOM 1367 N ILE A 84 10.487 -2.305 -7.609 1.00 0.00 N ATOM 1368 CA ILE A 84 10.899 -1.122 -6.913 1.00 0.00 C ATOM 1369 C ILE A 84 11.915 -0.341 -7.715 1.00 0.00 C ATOM 1370 O ILE A 84 12.558 -0.876 -8.643 1.00 0.00 O ATOM 1371 CB ILE A 84 11.472 -1.378 -5.509 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.808 -2.103 -5.582 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.476 -2.169 -4.661 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.578 -1.988 -4.314 1.00 0.00 C ATOM 0 H ILE A 84 10.819 -3.183 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 84 9.982 -0.546 -6.788 1.00 0.00 H new ATOM 0 HB ILE A 84 11.643 -0.412 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.637 -3.156 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.398 -1.693 -6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.898 -2.341 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.549 -1.604 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.271 -3.127 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.524 -2.521 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.774 -0.937 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.001 -2.422 -3.497 1.00 0.00 H new ATOM 1386 N ASP A 85 12.064 0.893 -7.371 1.00 0.00 N ATOM 1387 CA ASP A 85 13.024 1.737 -8.038 1.00 0.00 C ATOM 1388 C ASP A 85 14.280 1.772 -7.228 1.00 0.00 C ATOM 1389 O ASP A 85 14.269 2.206 -6.066 1.00 0.00 O ATOM 1390 CB ASP A 85 12.485 3.158 -8.230 1.00 0.00 C ATOM 1391 CG ASP A 85 13.392 4.042 -9.063 1.00 0.00 C ATOM 1392 OD1 ASP A 85 13.513 3.786 -10.287 1.00 0.00 O ATOM 1393 OD2 ASP A 85 13.921 5.059 -8.533 1.00 0.00 O ATOM 0 H ASP A 85 11.535 1.351 -6.629 1.00 0.00 H new ATOM 0 HA ASP A 85 13.224 1.325 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.506 3.105 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.340 3.618 -7.253 1.00 0.00 H new