USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.0314 (180deg=-0.885) USER MOD Single : A 29 HIS : no HD1:sc= -4.65! C(o=-4.6!,f=-5.4!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 THR OG1 : rot -5:sc= 0.989 USER MOD Single : A 34 TYR OH : rot 120:sc= -0.0598 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 43 ASN : amide:sc=-0.00544 X(o=-0.0054,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.854 K(o=-0.85,f=-3.2!) USER MOD Single : A 51 LYS NZ :NH3+ -107:sc= 0.0783 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.34) USER MOD Single : A 59 THR OG1 : rot -53:sc= -0.194 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -2.97! C(o=-3!,f=-6.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -70:sc= 1.35 USER MOD Single : A 79 THR OG1 : rot 110:sc= 0.466 USER MOD Single : A 85 GLN : amide:sc= -0.352 K(o=-0.35,f=-3.3!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0757 USER MOD Single : A 91 SER OG : rot -84:sc= 0.792 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.469 USER MOD Single : A 99 GLN : amide:sc=-0.00136 K(o=-0.0014,f=-1.5!) USER MOD Single : A 102 ASN : amide:sc= -0.076 K(o=-0.076,f=-0.71) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= -0.406 (180deg=-1.2) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000984) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 25.913 -3.172 7.825 1.00 0.00 N ATOM 229 CA ILE A 18 24.932 -2.161 7.449 1.00 0.00 C ATOM 230 C ILE A 18 25.215 -0.835 8.147 1.00 0.00 C ATOM 231 O ILE A 18 25.585 -0.806 9.320 1.00 0.00 O ATOM 232 CB ILE A 18 23.500 -2.612 7.790 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.222 -3.995 7.196 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.489 -1.597 7.277 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.085 -4.726 7.874 1.00 0.00 C ATOM 0 HA ILE A 18 25.015 -2.027 6.370 1.00 0.00 H new ATOM 0 HB ILE A 18 23.404 -2.677 8.874 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.993 -3.887 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.126 -4.600 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.481 -1.930 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.677 -0.629 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.584 -1.504 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.944 -5.698 7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.320 -4.866 8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.170 -4.142 7.781 1.00 0.00 H new ATOM 247 N ALA A 19 25.038 0.261 7.417 1.00 0.00 N ATOM 248 CA ALA A 19 25.270 1.591 7.967 1.00 0.00 C ATOM 249 C ALA A 19 24.073 2.064 8.785 1.00 0.00 C ATOM 250 O ALA A 19 24.223 2.839 9.729 1.00 0.00 O ATOM 251 CB ALA A 19 25.571 2.579 6.849 1.00 0.00 C ATOM 0 H ALA A 19 24.735 0.254 6.443 1.00 0.00 H new ATOM 0 HA ALA A 19 26.132 1.537 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.742 3.568 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.461 2.257 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.725 2.620 6.163 1.00 0.00 H new ATOM 257 N GLU A 20 22.886 1.592 8.416 1.00 0.00 N ATOM 258 CA GLU A 20 21.664 1.969 9.116 1.00 0.00 C ATOM 259 C GLU A 20 20.554 0.954 8.858 1.00 0.00 C ATOM 260 O GLU A 20 20.295 0.554 7.722 1.00 0.00 O ATOM 261 CB GLU A 20 21.208 3.362 8.678 1.00 0.00 C ATOM 262 CG GLU A 20 20.227 4.012 9.639 1.00 0.00 C ATOM 263 CD GLU A 20 20.908 4.595 10.862 1.00 0.00 C ATOM 264 OE1 GLU A 20 22.132 4.838 10.799 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.219 4.807 11.881 1.00 0.00 O ATOM 0 H GLU A 20 22.745 0.949 7.637 1.00 0.00 H new ATOM 0 HA GLU A 20 21.878 1.984 10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.082 4.005 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.746 3.291 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.684 4.801 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.490 3.273 9.955 1.00 0.00 H new ATOM 272 N PRO A 21 19.882 0.525 9.937 1.00 0.00 N ATOM 273 CA PRO A 21 18.790 -0.449 9.854 1.00 0.00 C ATOM 274 C PRO A 21 17.546 0.131 9.188 1.00 0.00 C ATOM 275 O PRO A 21 17.324 1.342 9.180 1.00 0.00 O ATOM 276 CB PRO A 21 18.504 -0.787 11.319 1.00 0.00 C ATOM 277 CG PRO A 21 18.961 0.410 12.080 1.00 0.00 C ATOM 278 CD PRO A 21 20.137 0.959 11.321 1.00 0.00 C ATOM 0 HA PRO A 21 19.060 -1.314 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.443 -0.978 11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.041 -1.683 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.165 1.151 12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.244 0.141 13.097 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.193 2.045 11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.080 0.563 11.699 1.00 0.00 H new ATOM 286 N PRO A 22 16.714 -0.752 8.617 1.00 0.00 N ATOM 287 CA PRO A 22 15.477 -0.351 7.940 1.00 0.00 C ATOM 288 C PRO A 22 14.422 0.162 8.914 1.00 0.00 C ATOM 289 O PRO A 22 14.391 -0.237 10.079 1.00 0.00 O ATOM 290 CB PRO A 22 15.004 -1.644 7.270 1.00 0.00 C ATOM 291 CG PRO A 22 15.596 -2.735 8.094 1.00 0.00 C ATOM 292 CD PRO A 22 16.915 -2.211 8.590 1.00 0.00 C ATOM 0 HA PRO A 22 15.642 0.471 7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.916 -1.706 7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.343 -1.701 6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.941 -2.994 8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.733 -3.640 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.157 -2.602 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.734 -2.492 7.927 1.00 0.00 H new ATOM 300 N LYS A 23 13.558 1.048 8.431 1.00 0.00 N ATOM 301 CA LYS A 23 12.499 1.614 9.258 1.00 0.00 C ATOM 302 C LYS A 23 11.422 2.262 8.394 1.00 0.00 C ATOM 303 O LYS A 23 11.666 3.272 7.735 1.00 0.00 O ATOM 304 CB LYS A 23 13.079 2.647 10.228 1.00 0.00 C ATOM 305 CG LYS A 23 12.119 3.049 11.334 1.00 0.00 C ATOM 306 CD LYS A 23 11.940 1.933 12.350 1.00 0.00 C ATOM 307 CE LYS A 23 12.969 2.025 13.466 1.00 0.00 C ATOM 308 NZ LYS A 23 14.208 1.264 13.142 1.00 0.00 N ATOM 0 H LYS A 23 13.570 1.390 7.470 1.00 0.00 H new ATOM 0 HA LYS A 23 12.044 0.804 9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.987 2.243 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.368 3.536 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.493 3.942 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.152 3.307 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.937 1.983 12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.028 0.968 11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.221 3.071 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.538 1.640 14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.415 0.595 13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.071 0.740 12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.003 1.925 13.035 1.00 0.00 H new ATOM 322 N ILE A 24 10.230 1.675 8.404 1.00 0.00 N ATOM 323 CA ILE A 24 9.115 2.196 7.624 1.00 0.00 C ATOM 324 C ILE A 24 8.355 3.268 8.399 1.00 0.00 C ATOM 325 O ILE A 24 7.666 2.971 9.375 1.00 0.00 O ATOM 326 CB ILE A 24 8.136 1.077 7.223 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.772 0.165 6.173 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.837 1.672 6.699 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.233 -1.248 6.193 1.00 0.00 C ATOM 0 H ILE A 24 10.012 0.838 8.944 1.00 0.00 H new ATOM 0 HA ILE A 24 9.540 2.636 6.722 1.00 0.00 H new ATOM 0 HB ILE A 24 7.909 0.480 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.608 0.594 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.850 0.136 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.155 0.869 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.378 2.284 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.046 2.290 5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.729 -1.838 5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.421 -1.695 7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.160 -1.231 6.002 1.00 0.00 H new ATOM 341 N ARG A 25 8.485 4.514 7.956 1.00 0.00 N ATOM 342 CA ARG A 25 7.811 5.631 8.607 1.00 0.00 C ATOM 343 C ARG A 25 6.449 5.890 7.970 1.00 0.00 C ATOM 344 O ARG A 25 6.350 6.562 6.943 1.00 0.00 O ATOM 345 CB ARG A 25 8.672 6.892 8.526 1.00 0.00 C ATOM 346 CG ARG A 25 10.063 6.719 9.115 1.00 0.00 C ATOM 347 CD ARG A 25 10.040 6.804 10.633 1.00 0.00 C ATOM 348 NE ARG A 25 9.475 5.601 11.240 1.00 0.00 N ATOM 349 CZ ARG A 25 8.954 5.570 12.461 1.00 0.00 C ATOM 350 NH1 ARG A 25 8.924 6.669 13.201 1.00 0.00 N ATOM 351 NH2 ARG A 25 8.459 4.437 12.943 1.00 0.00 N ATOM 0 H ARG A 25 9.051 4.776 7.149 1.00 0.00 H new ATOM 0 HA ARG A 25 7.659 5.370 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.763 7.193 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.164 7.703 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.471 5.756 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.726 7.487 8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.054 6.955 11.003 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.457 7.673 10.939 1.00 0.00 H new ATOM 0 HE ARG A 25 9.481 4.738 10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.302 7.542 12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.523 6.642 14.139 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.479 3.590 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.059 4.413 13.881 1.00 0.00 H new ATOM 365 N LEU A 26 5.402 5.352 8.585 1.00 0.00 N ATOM 366 CA LEU A 26 4.045 5.524 8.078 1.00 0.00 C ATOM 367 C LEU A 26 3.414 6.797 8.632 1.00 0.00 C ATOM 368 O LEU A 26 3.647 7.188 9.776 1.00 0.00 O ATOM 369 CB LEU A 26 3.184 4.313 8.445 1.00 0.00 C ATOM 370 CG LEU A 26 3.198 3.153 7.449 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.949 1.834 8.163 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.162 3.375 6.357 1.00 0.00 C ATOM 0 H LEU A 26 5.466 4.793 9.436 1.00 0.00 H new ATOM 0 HA LEU A 26 4.098 5.609 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.514 3.938 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.154 4.648 8.567 1.00 0.00 H new ATOM 0 HG LEU A 26 4.183 3.110 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.962 1.020 7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.728 1.670 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.977 1.865 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.186 2.540 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.171 3.445 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.386 4.300 5.826 1.00 0.00 H new ATOM 384 N PRO A 27 2.593 7.460 7.803 1.00 0.00 N ATOM 385 CA PRO A 27 1.909 8.698 8.190 1.00 0.00 C ATOM 386 C PRO A 27 0.823 8.459 9.232 1.00 0.00 C ATOM 387 O PRO A 27 0.780 7.405 9.867 1.00 0.00 O ATOM 388 CB PRO A 27 1.292 9.187 6.877 1.00 0.00 C ATOM 389 CG PRO A 27 1.126 7.956 6.055 1.00 0.00 C ATOM 390 CD PRO A 27 2.269 7.052 6.426 1.00 0.00 C ATOM 0 HA PRO A 27 2.591 9.414 8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.335 9.680 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.939 9.910 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.168 7.477 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.145 8.192 4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.983 6.001 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.119 7.184 5.757 1.00 0.00 H new ATOM 398 N ARG A 28 -0.054 9.443 9.404 1.00 0.00 N ATOM 399 CA ARG A 28 -1.140 9.339 10.370 1.00 0.00 C ATOM 400 C ARG A 28 -2.478 9.139 9.665 1.00 0.00 C ATOM 401 O ARG A 28 -3.527 9.075 10.307 1.00 0.00 O ATOM 402 CB ARG A 28 -1.195 10.593 11.245 1.00 0.00 C ATOM 403 CG ARG A 28 -2.141 11.660 10.720 1.00 0.00 C ATOM 404 CD ARG A 28 -2.254 12.829 11.686 1.00 0.00 C ATOM 405 NE ARG A 28 -2.539 14.084 10.997 1.00 0.00 N ATOM 406 CZ ARG A 28 -2.827 15.219 11.624 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.868 15.256 12.949 1.00 0.00 N ATOM 408 NH2 ARG A 28 -3.075 16.320 10.927 1.00 0.00 N ATOM 0 H ARG A 28 -0.033 10.322 8.886 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.948 8.472 11.002 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.502 10.310 12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.193 11.015 11.324 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.787 12.018 9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.127 11.225 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.043 12.626 12.410 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.324 12.927 12.247 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.516 14.090 9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.678 14.412 13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.089 16.129 13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.045 16.296 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.296 17.191 11.410 1.00 0.00 H new ATOM 422 N HIS A 29 -2.434 9.041 8.340 1.00 0.00 N ATOM 423 CA HIS A 29 -3.643 8.848 7.547 1.00 0.00 C ATOM 424 C HIS A 29 -3.699 7.434 6.976 1.00 0.00 C ATOM 425 O HIS A 29 -4.633 7.081 6.255 1.00 0.00 O ATOM 426 CB HIS A 29 -3.703 9.871 6.412 1.00 0.00 C ATOM 427 CG HIS A 29 -2.360 10.218 5.847 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.816 9.578 4.753 1.00 0.00 N ATOM 429 CD2 HIS A 29 -1.451 11.144 6.229 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.630 10.095 4.488 1.00 0.00 C ATOM 431 NE2 HIS A 29 -0.385 11.048 5.369 1.00 0.00 N ATOM 0 H HIS A 29 -1.575 9.092 7.793 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.503 8.991 8.201 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.334 9.479 5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.180 10.780 6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.546 11.831 7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.028 9.790 3.687 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.459 11.620 5.405 1.00 0.00 H new ATOM 440 N LEU A 30 -2.693 6.630 7.302 1.00 0.00 N ATOM 441 CA LEU A 30 -2.627 5.254 6.822 1.00 0.00 C ATOM 442 C LEU A 30 -2.417 4.282 7.979 1.00 0.00 C ATOM 443 O LEU A 30 -1.807 3.226 7.812 1.00 0.00 O ATOM 444 CB LEU A 30 -1.496 5.103 5.802 1.00 0.00 C ATOM 445 CG LEU A 30 -1.622 5.943 4.531 1.00 0.00 C ATOM 446 CD1 LEU A 30 -0.270 6.088 3.851 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.636 5.323 3.580 1.00 0.00 C ATOM 0 H LEU A 30 -1.912 6.907 7.897 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.576 5.017 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.556 5.359 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.430 4.054 5.515 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.974 6.936 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.379 6.689 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.428 6.577 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.112 5.102 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.713 5.934 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.313 4.318 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.609 5.272 4.068 1.00 0.00 H new ATOM 459 N ARG A 31 -2.928 4.646 9.150 1.00 0.00 N ATOM 460 CA ARG A 31 -2.797 3.806 10.335 1.00 0.00 C ATOM 461 C ARG A 31 -4.097 3.060 10.618 1.00 0.00 C ATOM 462 O ARG A 31 -4.101 2.044 11.313 1.00 0.00 O ATOM 463 CB ARG A 31 -2.409 4.655 11.547 1.00 0.00 C ATOM 464 CG ARG A 31 -0.966 5.132 11.520 1.00 0.00 C ATOM 465 CD ARG A 31 -0.593 5.852 12.807 1.00 0.00 C ATOM 466 NE ARG A 31 0.835 5.755 13.094 1.00 0.00 N ATOM 467 CZ ARG A 31 1.408 6.291 14.166 1.00 0.00 C ATOM 468 NH1 ARG A 31 0.676 6.957 15.049 1.00 0.00 N ATOM 469 NH2 ARG A 31 2.714 6.160 14.358 1.00 0.00 N ATOM 0 H ARG A 31 -3.437 5.517 9.304 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.012 3.074 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.068 5.521 11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.574 4.074 12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.303 4.280 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.818 5.801 10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.877 6.902 12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.159 5.428 13.637 1.00 0.00 H new ATOM 0 HE ARG A 31 1.425 5.248 12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.329 7.058 14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.118 7.368 15.871 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.280 5.647 13.682 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.152 6.572 15.182 1.00 0.00 H new ATOM 483 N GLN A 32 -5.197 3.571 10.075 1.00 0.00 N ATOM 484 CA GLN A 32 -6.503 2.953 10.271 1.00 0.00 C ATOM 485 C GLN A 32 -7.162 2.636 8.933 1.00 0.00 C ATOM 486 O GLN A 32 -7.498 1.485 8.650 1.00 0.00 O ATOM 487 CB GLN A 32 -7.408 3.872 11.093 1.00 0.00 C ATOM 488 CG GLN A 32 -7.092 5.349 10.921 1.00 0.00 C ATOM 489 CD GLN A 32 -7.853 6.226 11.896 1.00 0.00 C ATOM 490 OE1 GLN A 32 -7.899 5.947 13.094 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.455 7.294 11.386 1.00 0.00 N ATOM 0 H GLN A 32 -5.210 4.411 9.496 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.356 2.019 10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.445 3.695 10.809 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.317 3.610 12.147 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.022 5.506 11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.332 5.652 9.902 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.391 7.487 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.982 7.921 11.994 1.00 0.00 H new ATOM 500 N THR A 33 -7.344 3.664 8.110 1.00 0.00 N ATOM 501 CA THR A 33 -7.963 3.496 6.802 1.00 0.00 C ATOM 502 C THR A 33 -7.808 4.753 5.954 1.00 0.00 C ATOM 503 O THR A 33 -7.888 5.871 6.463 1.00 0.00 O ATOM 504 CB THR A 33 -9.461 3.158 6.928 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.622 1.829 7.436 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.159 3.280 5.582 1.00 0.00 C ATOM 0 H THR A 33 -7.071 4.623 8.327 1.00 0.00 H new ATOM 0 HA THR A 33 -7.450 2.667 6.315 1.00 0.00 H new ATOM 0 HB THR A 33 -9.914 3.868 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.745 1.398 7.508 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.215 3.037 5.697 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.060 4.300 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.703 2.591 4.872 1.00 0.00 H new ATOM 514 N TYR A 34 -7.586 4.563 4.658 1.00 0.00 N ATOM 515 CA TYR A 34 -7.418 5.683 3.739 1.00 0.00 C ATOM 516 C TYR A 34 -8.658 5.866 2.871 1.00 0.00 C ATOM 517 O TYR A 34 -8.870 5.128 1.908 1.00 0.00 O ATOM 518 CB TYR A 34 -6.189 5.464 2.854 1.00 0.00 C ATOM 519 CG TYR A 34 -5.691 6.725 2.187 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.433 7.871 2.929 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.478 6.772 0.815 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.977 9.027 2.324 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.022 7.922 0.202 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.773 9.047 0.960 1.00 0.00 C ATOM 525 OH TYR A 34 -4.320 10.196 0.353 1.00 0.00 O ATOM 0 H TYR A 34 -7.518 3.644 4.220 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.275 6.587 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.387 5.042 3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.431 4.728 2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.592 7.858 3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.673 5.894 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.782 9.909 2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.861 7.941 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.467 10.015 -0.094 1.00 0.00 H new ATOM 535 N ILE A 35 -9.475 6.856 3.218 1.00 0.00 N ATOM 536 CA ILE A 35 -10.693 7.138 2.469 1.00 0.00 C ATOM 537 C ILE A 35 -10.404 8.022 1.261 1.00 0.00 C ATOM 538 O ILE A 35 -9.935 9.151 1.404 1.00 0.00 O ATOM 539 CB ILE A 35 -11.750 7.826 3.353 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.950 7.041 4.651 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.065 7.959 2.600 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.805 5.804 4.484 1.00 0.00 C ATOM 0 H ILE A 35 -9.315 7.475 4.013 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.083 6.179 2.129 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.396 8.825 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.976 6.749 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.410 7.693 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.802 8.447 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.911 8.556 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.426 6.969 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.904 5.298 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.792 6.090 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.336 5.132 3.766 1.00 0.00 H new ATOM 554 N ARG A 36 -10.688 7.501 0.072 1.00 0.00 N ATOM 555 CA ARG A 36 -10.459 8.243 -1.162 1.00 0.00 C ATOM 556 C ARG A 36 -11.626 8.064 -2.129 1.00 0.00 C ATOM 557 O ARG A 36 -12.226 6.991 -2.203 1.00 0.00 O ATOM 558 CB ARG A 36 -9.159 7.785 -1.824 1.00 0.00 C ATOM 559 CG ARG A 36 -7.937 8.568 -1.373 1.00 0.00 C ATOM 560 CD ARG A 36 -7.756 9.838 -2.190 1.00 0.00 C ATOM 561 NE ARG A 36 -6.797 10.752 -1.576 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.094 11.554 -0.559 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.315 11.553 -0.044 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.166 12.357 -0.054 1.00 0.00 N ATOM 0 H ARG A 36 -11.077 6.568 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.377 9.300 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.003 6.728 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.260 7.877 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.036 8.824 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.048 7.944 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.418 9.578 -3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.718 10.340 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.848 10.776 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.030 10.935 -0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.540 12.170 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.225 12.359 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.394 12.973 0.727 1.00 0.00 H new ATOM 578 N LYS A 37 -11.943 9.121 -2.869 1.00 0.00 N ATOM 579 CA LYS A 37 -13.037 9.082 -3.832 1.00 0.00 C ATOM 580 C LYS A 37 -12.608 8.374 -5.113 1.00 0.00 C ATOM 581 O LYS A 37 -11.436 8.406 -5.490 1.00 0.00 O ATOM 582 CB LYS A 37 -13.511 10.501 -4.155 1.00 0.00 C ATOM 583 CG LYS A 37 -14.551 11.030 -3.183 1.00 0.00 C ATOM 584 CD LYS A 37 -15.366 12.156 -3.797 1.00 0.00 C ATOM 585 CE LYS A 37 -14.600 13.470 -3.782 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.472 14.625 -4.133 1.00 0.00 N ATOM 0 H LYS A 37 -11.457 10.016 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.860 8.524 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.651 11.171 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.927 10.516 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.216 10.220 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.057 11.388 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.629 11.899 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.300 12.272 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.169 13.628 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.770 13.414 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.913 15.501 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.863 14.487 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.250 14.694 -3.446 1.00 0.00 H new ATOM 600 N VAL A 38 -13.565 7.737 -5.780 1.00 0.00 N ATOM 601 CA VAL A 38 -13.286 7.023 -7.021 1.00 0.00 C ATOM 602 C VAL A 38 -12.929 7.991 -8.143 1.00 0.00 C ATOM 603 O VAL A 38 -13.337 9.152 -8.130 1.00 0.00 O ATOM 604 CB VAL A 38 -14.491 6.169 -7.460 1.00 0.00 C ATOM 605 CG1 VAL A 38 -15.013 5.344 -6.294 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.589 7.052 -8.033 1.00 0.00 C ATOM 0 H VAL A 38 -14.540 7.701 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.437 6.368 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.163 5.483 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.864 4.747 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.224 4.684 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.326 6.009 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.432 6.432 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.917 7.763 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.206 7.594 -8.897 1.00 0.00 H new ATOM 616 N GLY A 39 -12.162 7.505 -9.115 1.00 0.00 N ATOM 617 CA GLY A 39 -11.762 8.341 -10.233 1.00 0.00 C ATOM 618 C GLY A 39 -10.619 9.272 -9.880 1.00 0.00 C ATOM 619 O GLY A 39 -9.685 9.441 -10.663 1.00 0.00 O ATOM 0 H GLY A 39 -11.811 6.548 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.466 7.707 -11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.617 8.930 -10.567 1.00 0.00 H new ATOM 623 N GLU A 40 -10.693 9.877 -8.699 1.00 0.00 N ATOM 624 CA GLU A 40 -9.657 10.798 -8.247 1.00 0.00 C ATOM 625 C GLU A 40 -8.286 10.127 -8.269 1.00 0.00 C ATOM 626 O GLU A 40 -8.185 8.901 -8.290 1.00 0.00 O ATOM 627 CB GLU A 40 -9.969 11.299 -6.835 1.00 0.00 C ATOM 628 CG GLU A 40 -10.883 12.512 -6.809 1.00 0.00 C ATOM 629 CD GLU A 40 -10.119 13.820 -6.879 1.00 0.00 C ATOM 630 OE1 GLU A 40 -8.942 13.844 -6.463 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.699 14.820 -7.352 1.00 0.00 O ATOM 0 H GLU A 40 -11.459 9.746 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.638 11.647 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.433 10.493 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.035 11.548 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.578 12.456 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.480 12.493 -5.897 1.00 0.00 H new ATOM 638 N GLN A 41 -7.236 10.941 -8.265 1.00 0.00 N ATOM 639 CA GLN A 41 -5.871 10.427 -8.285 1.00 0.00 C ATOM 640 C GLN A 41 -5.397 10.085 -6.877 1.00 0.00 C ATOM 641 O GLN A 41 -5.546 10.882 -5.949 1.00 0.00 O ATOM 642 CB GLN A 41 -4.928 11.450 -8.920 1.00 0.00 C ATOM 643 CG GLN A 41 -5.127 11.614 -10.418 1.00 0.00 C ATOM 644 CD GLN A 41 -4.554 12.916 -10.944 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.454 12.945 -11.495 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.300 14.002 -10.776 1.00 0.00 N ATOM 0 H GLN A 41 -7.304 11.959 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.862 9.515 -8.882 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.073 12.415 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.898 11.149 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.657 10.779 -10.937 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.192 11.572 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.206 13.932 -10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.967 14.906 -11.110 1.00 0.00 H new ATOM 655 N LEU A 42 -4.825 8.896 -6.723 1.00 0.00 N ATOM 656 CA LEU A 42 -4.328 8.448 -5.426 1.00 0.00 C ATOM 657 C LEU A 42 -2.915 8.966 -5.176 1.00 0.00 C ATOM 658 O LEU A 42 -2.132 9.139 -6.109 1.00 0.00 O ATOM 659 CB LEU A 42 -4.344 6.921 -5.352 1.00 0.00 C ATOM 660 CG LEU A 42 -5.676 6.282 -4.958 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.728 4.832 -5.413 1.00 0.00 C ATOM 662 CD2 LEU A 42 -5.891 6.379 -3.455 1.00 0.00 C ATOM 0 H LEU A 42 -4.694 8.225 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.984 8.850 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.048 6.527 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.586 6.604 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.479 6.826 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.683 4.394 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.621 4.787 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.917 4.274 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.844 5.919 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.084 5.861 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.900 7.427 -3.156 1.00 0.00 H new ATOM 674 N ASN A 43 -2.596 9.210 -3.909 1.00 0.00 N ATOM 675 CA ASN A 43 -1.276 9.707 -3.536 1.00 0.00 C ATOM 676 C ASN A 43 -0.870 9.188 -2.160 1.00 0.00 C ATOM 677 O ASN A 43 -1.393 9.633 -1.137 1.00 0.00 O ATOM 678 CB ASN A 43 -1.264 11.237 -3.541 1.00 0.00 C ATOM 679 CG ASN A 43 0.140 11.804 -3.456 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.492 12.476 -2.486 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.949 11.535 -4.474 1.00 0.00 N ATOM 0 H ASN A 43 -3.232 9.072 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.556 9.343 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.745 11.598 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.853 11.605 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.905 11.890 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.614 10.974 -5.257 1.00 0.00 H new ATOM 688 N LEU A 44 0.066 8.246 -2.141 1.00 0.00 N ATOM 689 CA LEU A 44 0.545 7.667 -0.891 1.00 0.00 C ATOM 690 C LEU A 44 2.058 7.812 -0.767 1.00 0.00 C ATOM 691 O LEU A 44 2.817 7.068 -1.389 1.00 0.00 O ATOM 692 CB LEU A 44 0.154 6.190 -0.808 1.00 0.00 C ATOM 693 CG LEU A 44 -1.319 5.871 -1.061 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.523 4.370 -1.206 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.185 6.422 0.063 1.00 0.00 C ATOM 0 H LEU A 44 0.509 7.867 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 44 0.079 8.207 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.754 5.635 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.421 5.819 0.182 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.620 6.350 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.578 4.162 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.932 4.002 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.205 3.870 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.231 6.186 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.883 5.972 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.062 7.504 0.120 1.00 0.00 H new ATOM 707 N VAL A 45 2.491 8.775 0.041 1.00 0.00 N ATOM 708 CA VAL A 45 3.914 9.016 0.249 1.00 0.00 C ATOM 709 C VAL A 45 4.381 8.435 1.579 1.00 0.00 C ATOM 710 O VAL A 45 4.222 9.057 2.630 1.00 0.00 O ATOM 711 CB VAL A 45 4.239 10.521 0.216 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.730 10.750 0.412 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.764 11.140 -1.090 1.00 0.00 C ATOM 0 H VAL A 45 1.877 9.401 0.562 1.00 0.00 H new ATOM 0 HA VAL A 45 4.442 8.520 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 45 3.710 11.007 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.940 11.819 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.037 10.343 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.282 10.252 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.002 12.204 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.263 10.652 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.686 11.009 -1.184 1.00 0.00 H new ATOM 723 N VAL A 46 4.958 7.239 1.527 1.00 0.00 N ATOM 724 CA VAL A 46 5.450 6.574 2.727 1.00 0.00 C ATOM 725 C VAL A 46 6.972 6.629 2.801 1.00 0.00 C ATOM 726 O VAL A 46 7.678 5.873 2.134 1.00 0.00 O ATOM 727 CB VAL A 46 4.997 5.103 2.780 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.172 4.540 4.182 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.552 4.974 2.322 1.00 0.00 C ATOM 0 H VAL A 46 5.096 6.710 0.666 1.00 0.00 H new ATOM 0 HA VAL A 46 5.028 7.107 3.579 1.00 0.00 H new ATOM 0 HB VAL A 46 5.623 4.524 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.847 3.500 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.222 4.597 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.573 5.120 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.248 3.928 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.909 5.566 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.461 5.336 1.298 1.00 0.00 H new ATOM 739 N PRO A 47 7.491 7.544 3.633 1.00 0.00 N ATOM 740 CA PRO A 47 8.935 7.719 3.815 1.00 0.00 C ATOM 741 C PRO A 47 9.573 6.546 4.551 1.00 0.00 C ATOM 742 O PRO A 47 8.966 5.958 5.447 1.00 0.00 O ATOM 743 CB PRO A 47 9.034 8.995 4.655 1.00 0.00 C ATOM 744 CG PRO A 47 7.737 9.071 5.383 1.00 0.00 C ATOM 745 CD PRO A 47 6.709 8.478 4.459 1.00 0.00 C ATOM 0 HA PRO A 47 9.462 7.777 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.874 8.949 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.187 9.872 4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.783 8.519 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.489 10.103 5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.922 7.964 5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.225 9.243 3.852 1.00 0.00 H new ATOM 753 N PHE A 48 10.800 6.209 4.168 1.00 0.00 N ATOM 754 CA PHE A 48 11.520 5.105 4.791 1.00 0.00 C ATOM 755 C PHE A 48 12.933 5.528 5.181 1.00 0.00 C ATOM 756 O PHE A 48 13.445 6.537 4.697 1.00 0.00 O ATOM 757 CB PHE A 48 11.578 3.906 3.843 1.00 0.00 C ATOM 758 CG PHE A 48 12.083 4.251 2.471 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.439 4.419 2.240 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.203 4.406 1.413 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.906 4.737 0.978 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.664 4.724 0.149 1.00 0.00 C ATOM 763 CZ PHE A 48 13.018 4.888 -0.068 1.00 0.00 C ATOM 0 H PHE A 48 11.317 6.685 3.429 1.00 0.00 H new ATOM 0 HA PHE A 48 10.983 4.819 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.222 3.141 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.582 3.473 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.138 4.300 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.143 4.277 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.965 4.867 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.967 4.844 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.382 5.134 -1.055 1.00 0.00 H new ATOM 773 N GLN A 49 13.556 4.750 6.060 1.00 0.00 N ATOM 774 CA GLN A 49 14.910 5.045 6.516 1.00 0.00 C ATOM 775 C GLN A 49 15.811 3.823 6.373 1.00 0.00 C ATOM 776 O GLN A 49 15.331 2.697 6.241 1.00 0.00 O ATOM 777 CB GLN A 49 14.889 5.510 7.973 1.00 0.00 C ATOM 778 CG GLN A 49 13.911 6.644 8.236 1.00 0.00 C ATOM 779 CD GLN A 49 13.637 6.848 9.713 1.00 0.00 C ATOM 780 OE1 GLN A 49 13.004 6.012 10.359 1.00 0.00 O ATOM 781 NE2 GLN A 49 14.113 7.962 10.255 1.00 0.00 N ATOM 0 H GLN A 49 13.146 3.911 6.471 1.00 0.00 H new ATOM 0 HA GLN A 49 15.311 5.844 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.633 4.665 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.891 5.832 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.308 7.567 7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.973 6.436 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.632 8.627 9.681 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.960 8.153 11.245 1.00 0.00 H new ATOM 790 N GLY A 50 17.120 4.052 6.399 1.00 0.00 N ATOM 791 CA GLY A 50 18.068 2.961 6.270 1.00 0.00 C ATOM 792 C GLY A 50 19.266 3.330 5.418 1.00 0.00 C ATOM 793 O GLY A 50 19.229 4.309 4.673 1.00 0.00 O ATOM 0 H GLY A 50 17.541 4.975 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.409 2.662 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.566 2.098 5.832 1.00 0.00 H new ATOM 797 N LYS A 51 20.332 2.546 5.528 1.00 0.00 N ATOM 798 CA LYS A 51 21.548 2.795 4.762 1.00 0.00 C ATOM 799 C LYS A 51 22.240 1.485 4.400 1.00 0.00 C ATOM 800 O LYS A 51 22.099 0.470 5.083 1.00 0.00 O ATOM 801 CB LYS A 51 22.504 3.686 5.559 1.00 0.00 C ATOM 802 CG LYS A 51 22.011 5.113 5.722 1.00 0.00 C ATOM 803 CD LYS A 51 22.065 5.875 4.408 1.00 0.00 C ATOM 804 CE LYS A 51 21.608 7.316 4.581 1.00 0.00 C ATOM 805 NZ LYS A 51 20.129 7.446 4.465 1.00 0.00 N ATOM 0 H LYS A 51 20.379 1.732 6.141 1.00 0.00 H new ATOM 0 HA LYS A 51 21.269 3.305 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.658 3.249 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.474 3.700 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.988 5.105 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 51 22.619 5.626 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.083 5.859 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.434 5.378 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.930 7.685 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.088 7.942 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.890 7.896 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.693 6.503 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.769 8.030 5.247 1.00 0.00 H new ATOM 819 N PRO A 52 23.009 1.505 3.301 1.00 0.00 N ATOM 820 CA PRO A 52 23.185 2.707 2.480 1.00 0.00 C ATOM 821 C PRO A 52 21.917 3.080 1.719 1.00 0.00 C ATOM 822 O PRO A 52 21.482 4.231 1.746 1.00 0.00 O ATOM 823 CB PRO A 52 24.296 2.310 1.505 1.00 0.00 C ATOM 824 CG PRO A 52 24.213 0.826 1.418 1.00 0.00 C ATOM 825 CD PRO A 52 23.765 0.356 2.775 1.00 0.00 C ATOM 0 HA PRO A 52 23.422 3.583 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.150 2.772 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.273 2.631 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.507 0.519 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.179 0.396 1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.143 -0.537 2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.612 0.106 3.414 1.00 0.00 H new ATOM 833 N ARG A 53 21.329 2.099 1.042 1.00 0.00 N ATOM 834 CA ARG A 53 20.111 2.325 0.273 1.00 0.00 C ATOM 835 C ARG A 53 19.086 1.228 0.543 1.00 0.00 C ATOM 836 O ARG A 53 19.192 0.108 0.042 1.00 0.00 O ATOM 837 CB ARG A 53 20.429 2.383 -1.222 1.00 0.00 C ATOM 838 CG ARG A 53 19.440 3.214 -2.023 1.00 0.00 C ATOM 839 CD ARG A 53 19.838 3.292 -3.489 1.00 0.00 C ATOM 840 NE ARG A 53 19.004 4.232 -4.233 1.00 0.00 N ATOM 841 CZ ARG A 53 17.729 4.007 -4.531 1.00 0.00 C ATOM 842 NH1 ARG A 53 17.145 2.880 -4.150 1.00 0.00 N ATOM 843 NH2 ARG A 53 17.036 4.911 -5.211 1.00 0.00 N ATOM 0 H ARG A 53 21.676 1.140 1.010 1.00 0.00 H new ATOM 0 HA ARG A 53 19.687 3.280 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.429 2.795 -1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.445 1.369 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.444 2.779 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.385 4.219 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.882 3.595 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.759 2.302 -3.939 1.00 0.00 H new ATOM 0 HE ARG A 53 19.423 5.109 -4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.675 2.183 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.166 2.710 -4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.482 5.780 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.057 4.737 -5.439 1.00 0.00 H new ATOM 857 N PRO A 54 18.069 1.554 1.355 1.00 0.00 N ATOM 858 CA PRO A 54 17.005 0.610 1.710 1.00 0.00 C ATOM 859 C PRO A 54 16.091 0.296 0.531 1.00 0.00 C ATOM 860 O PRO A 54 15.498 1.196 -0.063 1.00 0.00 O ATOM 861 CB PRO A 54 16.230 1.345 2.806 1.00 0.00 C ATOM 862 CG PRO A 54 16.486 2.790 2.547 1.00 0.00 C ATOM 863 CD PRO A 54 17.879 2.870 1.988 1.00 0.00 C ATOM 0 HA PRO A 54 17.404 -0.354 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.165 1.117 2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.575 1.053 3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.759 3.195 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.400 3.372 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.976 3.681 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.616 3.050 2.770 1.00 0.00 H new ATOM 871 N GLN A 55 15.983 -0.986 0.197 1.00 0.00 N ATOM 872 CA GLN A 55 15.141 -1.418 -0.912 1.00 0.00 C ATOM 873 C GLN A 55 13.664 -1.254 -0.570 1.00 0.00 C ATOM 874 O GLN A 55 13.264 -1.394 0.586 1.00 0.00 O ATOM 875 CB GLN A 55 15.436 -2.876 -1.267 1.00 0.00 C ATOM 876 CG GLN A 55 15.053 -3.246 -2.691 1.00 0.00 C ATOM 877 CD GLN A 55 15.911 -2.546 -3.726 1.00 0.00 C ATOM 878 OE1 GLN A 55 17.138 -2.530 -3.624 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.269 -1.963 -4.732 1.00 0.00 N ATOM 0 H GLN A 55 16.468 -1.743 0.678 1.00 0.00 H new ATOM 0 HA GLN A 55 15.368 -0.789 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.499 -3.068 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.899 -3.525 -0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.143 -4.325 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.007 -2.992 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.251 -2.001 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.794 -1.478 -5.459 1.00 0.00 H new ATOM 888 N VAL A 56 12.856 -0.957 -1.583 1.00 0.00 N ATOM 889 CA VAL A 56 11.422 -0.774 -1.390 1.00 0.00 C ATOM 890 C VAL A 56 10.627 -1.829 -2.150 1.00 0.00 C ATOM 891 O VAL A 56 11.010 -2.241 -3.246 1.00 0.00 O ATOM 892 CB VAL A 56 10.968 0.624 -1.848 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.469 0.790 -1.650 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.735 1.705 -1.100 1.00 0.00 C ATOM 0 H VAL A 56 13.170 -0.838 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 56 11.230 -0.878 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 56 11.184 0.727 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.166 1.784 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.939 0.037 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.226 0.668 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.401 2.687 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.552 1.607 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.802 1.597 -1.297 1.00 0.00 H new ATOM 904 N VAL A 57 9.516 -2.263 -1.562 1.00 0.00 N ATOM 905 CA VAL A 57 8.665 -3.270 -2.185 1.00 0.00 C ATOM 906 C VAL A 57 7.190 -2.935 -1.994 1.00 0.00 C ATOM 907 O VAL A 57 6.796 -2.381 -0.968 1.00 0.00 O ATOM 908 CB VAL A 57 8.941 -4.672 -1.610 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.024 -5.702 -2.251 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.401 -5.050 -1.806 1.00 0.00 C ATOM 0 H VAL A 57 9.185 -1.933 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 57 8.900 -3.270 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 57 8.735 -4.654 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.234 -6.686 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.985 -5.437 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.195 -5.722 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.578 -6.043 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.637 -5.051 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.036 -4.327 -1.295 1.00 0.00 H new ATOM 920 N TRP A 58 6.379 -3.276 -2.989 1.00 0.00 N ATOM 921 CA TRP A 58 4.945 -3.013 -2.931 1.00 0.00 C ATOM 922 C TRP A 58 4.147 -4.258 -3.301 1.00 0.00 C ATOM 923 O TRP A 58 4.497 -4.977 -4.238 1.00 0.00 O ATOM 924 CB TRP A 58 4.579 -1.860 -3.868 1.00 0.00 C ATOM 925 CG TRP A 58 4.845 -0.508 -3.278 1.00 0.00 C ATOM 926 CD1 TRP A 58 5.828 0.366 -3.642 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.117 0.122 -2.218 1.00 0.00 C ATOM 928 NE1 TRP A 58 5.756 1.502 -2.873 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.714 1.378 -1.992 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.018 -0.251 -1.439 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.249 2.259 -1.020 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.558 0.625 -0.475 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.172 1.868 -0.272 1.00 0.00 C ATOM 0 H TRP A 58 6.689 -3.735 -3.845 1.00 0.00 H new ATOM 0 HA TRP A 58 4.693 -2.735 -1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.143 -1.961 -4.795 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.523 -1.934 -4.128 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.556 0.190 -4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.378 2.307 -2.946 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.537 -1.207 -1.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.721 3.217 -0.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.710 0.347 0.133 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.788 2.530 0.490 1.00 0.00 H new ATOM 944 N THR A 59 3.072 -4.509 -2.560 1.00 0.00 N ATOM 945 CA THR A 59 2.225 -5.668 -2.810 1.00 0.00 C ATOM 946 C THR A 59 0.762 -5.353 -2.520 1.00 0.00 C ATOM 947 O THR A 59 0.435 -4.762 -1.491 1.00 0.00 O ATOM 948 CB THR A 59 2.657 -6.875 -1.955 1.00 0.00 C ATOM 949 OG1 THR A 59 2.734 -6.496 -0.576 1.00 0.00 O ATOM 950 CG2 THR A 59 4.005 -7.409 -2.415 1.00 0.00 C ATOM 0 H THR A 59 2.768 -3.924 -1.781 1.00 0.00 H new ATOM 0 HA THR A 59 2.338 -5.920 -3.865 1.00 0.00 H new ATOM 0 HB THR A 59 1.912 -7.662 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.306 -5.705 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.289 -8.261 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.936 -7.724 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.758 -6.626 -2.322 1.00 0.00 H new ATOM 958 N LYS A 60 -0.116 -5.751 -3.435 1.00 0.00 N ATOM 959 CA LYS A 60 -1.546 -5.513 -3.277 1.00 0.00 C ATOM 960 C LYS A 60 -2.295 -6.823 -3.060 1.00 0.00 C ATOM 961 O LYS A 60 -2.720 -7.473 -4.014 1.00 0.00 O ATOM 962 CB LYS A 60 -2.102 -4.793 -4.508 1.00 0.00 C ATOM 963 CG LYS A 60 -3.543 -4.340 -4.348 1.00 0.00 C ATOM 964 CD LYS A 60 -4.205 -4.098 -5.694 1.00 0.00 C ATOM 965 CE LYS A 60 -5.677 -3.751 -5.538 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.275 -3.278 -6.817 1.00 0.00 N ATOM 0 H LYS A 60 0.138 -6.240 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.690 -4.884 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.479 -3.925 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.032 -5.457 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.103 -5.095 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.574 -3.425 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.692 -3.288 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.104 -4.988 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.221 -4.627 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.789 -2.978 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.279 -3.052 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.773 -2.427 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.191 -4.024 -7.536 1.00 0.00 H new ATOM 980 N GLY A 61 -2.455 -7.206 -1.796 1.00 0.00 N ATOM 981 CA GLY A 61 -3.155 -8.437 -1.477 1.00 0.00 C ATOM 982 C GLY A 61 -2.212 -9.610 -1.299 1.00 0.00 C ATOM 983 O GLY A 61 -2.565 -10.750 -1.599 1.00 0.00 O ATOM 0 H GLY A 61 -2.113 -6.686 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.732 -8.297 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.866 -8.664 -2.272 1.00 0.00 H new ATOM 987 N GLY A 62 -1.007 -9.331 -0.811 1.00 0.00 N ATOM 988 CA GLY A 62 -0.028 -10.382 -0.605 1.00 0.00 C ATOM 989 C GLY A 62 0.672 -10.783 -1.888 1.00 0.00 C ATOM 990 O GLY A 62 1.293 -11.843 -1.959 1.00 0.00 O ATOM 0 H GLY A 62 -0.691 -8.396 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.714 -10.046 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.521 -11.254 -0.176 1.00 0.00 H new ATOM 994 N ALA A 63 0.571 -9.934 -2.906 1.00 0.00 N ATOM 995 CA ALA A 63 1.200 -10.205 -4.192 1.00 0.00 C ATOM 996 C ALA A 63 1.770 -8.930 -4.804 1.00 0.00 C ATOM 997 O ALA A 63 1.212 -7.842 -4.663 1.00 0.00 O ATOM 998 CB ALA A 63 0.201 -10.848 -5.143 1.00 0.00 C ATOM 0 H ALA A 63 0.059 -9.053 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 63 2.025 -10.898 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.684 -11.045 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.155 -11.786 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.643 -10.174 -5.295 1.00 0.00 H new ATOM 1004 N PRO A 64 2.909 -9.065 -5.500 1.00 0.00 N ATOM 1005 CA PRO A 64 3.579 -7.933 -6.147 1.00 0.00 C ATOM 1006 C PRO A 64 2.797 -7.402 -7.343 1.00 0.00 C ATOM 1007 O PRO A 64 2.014 -8.128 -7.957 1.00 0.00 O ATOM 1008 CB PRO A 64 4.915 -8.526 -6.603 1.00 0.00 C ATOM 1009 CG PRO A 64 4.650 -9.984 -6.757 1.00 0.00 C ATOM 1010 CD PRO A 64 3.629 -10.332 -5.709 1.00 0.00 C ATOM 0 HA PRO A 64 3.681 -7.082 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.245 -8.082 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.701 -8.342 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.276 -10.209 -7.756 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.563 -10.563 -6.620 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.960 -11.123 -6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.099 -10.683 -4.791 1.00 0.00 H new ATOM 1018 N LEU A 65 3.013 -6.133 -7.670 1.00 0.00 N ATOM 1019 CA LEU A 65 2.328 -5.504 -8.794 1.00 0.00 C ATOM 1020 C LEU A 65 3.079 -5.752 -10.097 1.00 0.00 C ATOM 1021 O LEU A 65 4.257 -6.112 -10.088 1.00 0.00 O ATOM 1022 CB LEU A 65 2.184 -4.001 -8.553 1.00 0.00 C ATOM 1023 CG LEU A 65 1.673 -3.588 -7.172 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.835 -3.385 -6.212 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.833 -2.323 -7.270 1.00 0.00 C ATOM 0 H LEU A 65 3.658 -5.519 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 65 1.336 -5.949 -8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.155 -3.533 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.507 -3.596 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 65 1.043 -4.389 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.452 -3.091 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.396 -4.315 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.491 -2.603 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.478 -2.044 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.439 -1.515 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.021 -2.503 -7.924 1.00 0.00 H new ATOM 1037 N ASP A 66 2.392 -5.556 -11.217 1.00 0.00 N ATOM 1038 CA ASP A 66 2.996 -5.755 -12.530 1.00 0.00 C ATOM 1039 C ASP A 66 3.405 -4.422 -13.147 1.00 0.00 C ATOM 1040 O ASP A 66 3.737 -4.349 -14.331 1.00 0.00 O ATOM 1041 CB ASP A 66 2.022 -6.484 -13.457 1.00 0.00 C ATOM 1042 CG ASP A 66 2.699 -7.013 -14.706 1.00 0.00 C ATOM 1043 OD1 ASP A 66 3.680 -7.773 -14.572 1.00 0.00 O ATOM 1044 OD2 ASP A 66 2.247 -6.667 -15.818 1.00 0.00 O ATOM 0 H ASP A 66 1.416 -5.259 -11.242 1.00 0.00 H new ATOM 0 HA ASP A 66 3.890 -6.365 -12.403 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.562 -7.312 -12.918 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.219 -5.805 -13.742 1.00 0.00 H new ATOM 1049 N THR A 67 3.377 -3.367 -12.338 1.00 0.00 N ATOM 1050 CA THR A 67 3.743 -2.036 -12.806 1.00 0.00 C ATOM 1051 C THR A 67 3.211 -1.781 -14.211 1.00 0.00 C ATOM 1052 O THR A 67 3.792 -1.009 -14.975 1.00 0.00 O ATOM 1053 CB THR A 67 5.271 -1.839 -12.803 1.00 0.00 C ATOM 1054 OG1 THR A 67 5.897 -2.857 -13.593 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.820 -1.881 -11.385 1.00 0.00 C ATOM 0 H THR A 67 3.105 -3.409 -11.356 1.00 0.00 H new ATOM 0 HA THR A 67 3.292 -1.324 -12.115 1.00 0.00 H new ATOM 0 HB THR A 67 5.490 -0.861 -13.231 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.868 -2.724 -13.588 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.901 -1.740 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.363 -1.087 -10.794 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.590 -2.847 -10.934 1.00 0.00 H new ATOM 1063 N SER A 68 2.103 -2.434 -14.547 1.00 0.00 N ATOM 1064 CA SER A 68 1.495 -2.280 -15.864 1.00 0.00 C ATOM 1065 C SER A 68 0.357 -1.265 -15.821 1.00 0.00 C ATOM 1066 O SER A 68 0.199 -0.454 -16.734 1.00 0.00 O ATOM 1067 CB SER A 68 0.973 -3.627 -16.368 1.00 0.00 C ATOM 1068 OG SER A 68 0.902 -3.649 -17.783 1.00 0.00 O ATOM 0 H SER A 68 1.608 -3.074 -13.926 1.00 0.00 H new ATOM 0 HA SER A 68 2.259 -1.914 -16.550 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.627 -4.427 -16.021 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.015 -3.818 -15.948 1.00 0.00 H new ATOM 0 HG SER A 68 0.567 -4.521 -18.080 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.434 -1.316 -14.754 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.558 -0.403 -14.591 1.00 0.00 C ATOM 1076 C ARG A 69 -1.319 0.552 -13.425 1.00 0.00 C ATOM 1077 O ARG A 69 -1.998 1.570 -13.293 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.852 -1.188 -14.365 1.00 0.00 C ATOM 1079 CG ARG A 69 -2.867 -1.975 -13.065 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.283 -2.156 -12.540 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.038 -3.126 -13.327 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.248 -3.562 -12.992 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -6.836 -3.115 -11.891 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -6.872 -4.446 -13.760 1.00 0.00 N ATOM 0 H ARG A 69 -0.317 -1.981 -13.989 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.652 0.184 -15.505 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.693 -0.495 -14.370 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.000 -1.875 -15.198 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.409 -2.951 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.264 -1.458 -12.318 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.245 -2.483 -11.501 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.800 -1.197 -12.554 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.614 -3.489 -14.181 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.360 -2.435 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.765 -3.451 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.423 -4.791 -14.608 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.801 -4.780 -13.502 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.350 0.214 -12.580 1.00 0.00 N ATOM 1099 CA VAL A 70 -0.021 1.041 -11.425 1.00 0.00 C ATOM 1100 C VAL A 70 1.180 1.935 -11.713 1.00 0.00 C ATOM 1101 O VAL A 70 2.153 1.504 -12.333 1.00 0.00 O ATOM 1102 CB VAL A 70 0.281 0.179 -10.185 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.628 1.059 -8.994 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -0.900 -0.725 -9.865 1.00 0.00 C ATOM 0 H VAL A 70 0.221 -0.626 -12.674 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.893 1.663 -11.223 1.00 0.00 H new ATOM 0 HB VAL A 70 1.143 -0.451 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.838 0.432 -8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.507 1.660 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.212 1.717 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.670 -1.327 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.781 -0.115 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.096 -1.381 -10.713 1.00 0.00 H new ATOM 1114 N HIS A 71 1.106 3.182 -11.259 1.00 0.00 N ATOM 1115 CA HIS A 71 2.188 4.137 -11.467 1.00 0.00 C ATOM 1116 C HIS A 71 2.851 4.504 -10.143 1.00 0.00 C ATOM 1117 O HIS A 71 2.312 5.290 -9.364 1.00 0.00 O ATOM 1118 CB HIS A 71 1.660 5.397 -12.153 1.00 0.00 C ATOM 1119 CG HIS A 71 2.660 6.510 -12.215 1.00 0.00 C ATOM 1120 ND1 HIS A 71 3.268 7.039 -11.095 1.00 0.00 N ATOM 1121 CD2 HIS A 71 3.160 7.193 -13.271 1.00 0.00 C ATOM 1122 CE1 HIS A 71 4.097 8.001 -11.460 1.00 0.00 C ATOM 1123 NE2 HIS A 71 4.051 8.114 -12.775 1.00 0.00 N ATOM 0 H HIS A 71 0.308 3.555 -10.745 1.00 0.00 H new ATOM 0 HA HIS A 71 2.934 3.669 -12.109 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.346 5.145 -13.166 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.774 5.745 -11.622 1.00 0.00 H new ATOM 0 HD1 HIS A 71 3.103 6.735 -10.135 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.906 7.042 -14.310 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.708 8.594 -10.796 1.00 0.00 H new ATOM 1132 N VAL A 72 4.024 3.929 -9.894 1.00 0.00 N ATOM 1133 CA VAL A 72 4.760 4.196 -8.664 1.00 0.00 C ATOM 1134 C VAL A 72 6.114 4.831 -8.962 1.00 0.00 C ATOM 1135 O VAL A 72 6.747 4.525 -9.972 1.00 0.00 O ATOM 1136 CB VAL A 72 4.978 2.907 -7.850 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.077 3.107 -6.817 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.681 2.473 -7.183 1.00 0.00 C ATOM 0 H VAL A 72 4.484 3.276 -10.528 1.00 0.00 H new ATOM 0 HA VAL A 72 4.157 4.890 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 72 5.292 2.116 -8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.217 2.186 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.007 3.368 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.795 3.911 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.853 1.561 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.335 3.260 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.924 2.287 -7.945 1.00 0.00 H new ATOM 1148 N ARG A 73 6.553 5.718 -8.074 1.00 0.00 N ATOM 1149 CA ARG A 73 7.832 6.397 -8.242 1.00 0.00 C ATOM 1150 C ARG A 73 8.669 6.302 -6.969 1.00 0.00 C ATOM 1151 O ARG A 73 8.457 7.051 -6.015 1.00 0.00 O ATOM 1152 CB ARG A 73 7.610 7.865 -8.610 1.00 0.00 C ATOM 1153 CG ARG A 73 7.040 8.064 -10.005 1.00 0.00 C ATOM 1154 CD ARG A 73 8.091 7.816 -11.076 1.00 0.00 C ATOM 1155 NE ARG A 73 9.109 8.863 -11.096 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.060 8.945 -12.020 1.00 0.00 C ATOM 1157 NH1 ARG A 73 10.123 8.048 -12.994 1.00 0.00 N ATOM 1158 NH2 ARG A 73 10.951 9.928 -11.971 1.00 0.00 N ATOM 0 H ARG A 73 6.042 5.983 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 73 8.373 5.905 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.934 8.315 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.558 8.397 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.199 7.388 -10.156 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.654 9.079 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.567 6.851 -10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.608 7.761 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 73 9.089 9.570 -10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.440 7.292 -13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.855 8.114 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.906 10.621 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.681 9.990 -12.681 1.00 0.00 H new ATOM 1172 N THR A 74 9.622 5.375 -6.962 1.00 0.00 N ATOM 1173 CA THR A 74 10.489 5.180 -5.807 1.00 0.00 C ATOM 1174 C THR A 74 11.732 6.057 -5.899 1.00 0.00 C ATOM 1175 O THR A 74 12.391 6.110 -6.937 1.00 0.00 O ATOM 1176 CB THR A 74 10.923 3.708 -5.672 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.816 2.844 -5.953 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.451 3.425 -4.273 1.00 0.00 C ATOM 0 H THR A 74 9.813 4.748 -7.743 1.00 0.00 H new ATOM 0 HA THR A 74 9.911 5.463 -4.927 1.00 0.00 H new ATOM 0 HB THR A 74 11.722 3.520 -6.389 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.100 1.910 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.751 2.380 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.311 4.064 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.669 3.629 -3.541 1.00 0.00 H new ATOM 1186 N SER A 75 12.048 6.745 -4.806 1.00 0.00 N ATOM 1187 CA SER A 75 13.211 7.623 -4.765 1.00 0.00 C ATOM 1188 C SER A 75 14.098 7.294 -3.568 1.00 0.00 C ATOM 1189 O SER A 75 13.607 7.045 -2.467 1.00 0.00 O ATOM 1190 CB SER A 75 12.770 9.086 -4.700 1.00 0.00 C ATOM 1191 OG SER A 75 12.176 9.385 -3.448 1.00 0.00 O ATOM 0 H SER A 75 11.515 6.711 -3.937 1.00 0.00 H new ATOM 0 HA SER A 75 13.787 7.465 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.630 9.736 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.060 9.291 -5.501 1.00 0.00 H new ATOM 0 HG SER A 75 11.304 8.942 -3.386 1.00 0.00 H new ATOM 1197 N ASP A 76 15.408 7.295 -3.792 1.00 0.00 N ATOM 1198 CA ASP A 76 16.365 6.997 -2.733 1.00 0.00 C ATOM 1199 C ASP A 76 15.896 7.571 -1.399 1.00 0.00 C ATOM 1200 O ASP A 76 16.150 6.997 -0.340 1.00 0.00 O ATOM 1201 CB ASP A 76 17.742 7.560 -3.088 1.00 0.00 C ATOM 1202 CG ASP A 76 17.679 9.009 -3.530 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.220 9.265 -4.663 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.087 9.888 -2.742 1.00 0.00 O ATOM 0 H ASP A 76 15.831 7.499 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 76 16.437 5.914 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.400 7.475 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.183 6.959 -3.884 1.00 0.00 H new ATOM 1209 N PHE A 77 15.210 8.708 -1.459 1.00 0.00 N ATOM 1210 CA PHE A 77 14.707 9.361 -0.256 1.00 0.00 C ATOM 1211 C PHE A 77 13.510 8.605 0.313 1.00 0.00 C ATOM 1212 O PHE A 77 13.591 8.012 1.389 1.00 0.00 O ATOM 1213 CB PHE A 77 14.312 10.807 -0.562 1.00 0.00 C ATOM 1214 CG PHE A 77 15.480 11.750 -0.610 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.249 11.863 -1.758 1.00 0.00 C ATOM 1216 CD2 PHE A 77 15.809 12.524 0.491 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.324 12.730 -1.804 1.00 0.00 C ATOM 1218 CE2 PHE A 77 16.883 13.392 0.450 1.00 0.00 C ATOM 1219 CZ PHE A 77 17.641 13.496 -0.700 1.00 0.00 C ATOM 0 H PHE A 77 14.990 9.196 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 77 15.503 9.359 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.791 10.838 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.608 11.151 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.005 11.267 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.219 12.448 1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.916 12.808 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.130 13.988 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.480 14.175 -0.735 1.00 0.00 H new ATOM 1229 N ASP A 78 12.400 8.631 -0.416 1.00 0.00 N ATOM 1230 CA ASP A 78 11.186 7.948 0.015 1.00 0.00 C ATOM 1231 C ASP A 78 10.418 7.397 -1.183 1.00 0.00 C ATOM 1232 O ASP A 78 10.677 7.773 -2.327 1.00 0.00 O ATOM 1233 CB ASP A 78 10.295 8.901 0.813 1.00 0.00 C ATOM 1234 CG ASP A 78 10.208 10.277 0.182 1.00 0.00 C ATOM 1235 OD1 ASP A 78 9.318 10.486 -0.668 1.00 0.00 O ATOM 1236 OD2 ASP A 78 11.031 11.146 0.540 1.00 0.00 O ATOM 0 H ASP A 78 12.316 9.118 -1.308 1.00 0.00 H new ATOM 0 HA ASP A 78 11.475 7.113 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.294 8.477 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.684 8.993 1.827 1.00 0.00 H new ATOM 1241 N THR A 79 9.472 6.502 -0.913 1.00 0.00 N ATOM 1242 CA THR A 79 8.669 5.898 -1.968 1.00 0.00 C ATOM 1243 C THR A 79 7.315 6.587 -2.091 1.00 0.00 C ATOM 1244 O THR A 79 6.728 7.008 -1.094 1.00 0.00 O ATOM 1245 CB THR A 79 8.446 4.395 -1.713 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.681 3.825 -2.781 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.726 4.171 -0.391 1.00 0.00 C ATOM 0 H THR A 79 9.244 6.180 0.028 1.00 0.00 H new ATOM 0 HA THR A 79 9.223 6.023 -2.898 1.00 0.00 H new ATOM 0 HB THR A 79 9.420 3.909 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.252 3.232 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.580 3.102 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.325 4.580 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.757 4.670 -0.415 1.00 0.00 H new ATOM 1255 N VAL A 80 6.822 6.699 -3.321 1.00 0.00 N ATOM 1256 CA VAL A 80 5.536 7.336 -3.574 1.00 0.00 C ATOM 1257 C VAL A 80 4.672 6.482 -4.495 1.00 0.00 C ATOM 1258 O VAL A 80 5.153 5.942 -5.491 1.00 0.00 O ATOM 1259 CB VAL A 80 5.714 8.731 -4.202 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.367 9.420 -4.364 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.657 9.577 -3.361 1.00 0.00 C ATOM 0 H VAL A 80 7.295 6.356 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 80 5.040 7.441 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 80 6.155 8.611 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.513 10.404 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.727 8.820 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.895 9.530 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.771 10.559 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.247 9.690 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.630 9.089 -3.302 1.00 0.00 H new ATOM 1271 N PHE A 81 3.392 6.364 -4.156 1.00 0.00 N ATOM 1272 CA PHE A 81 2.460 5.575 -4.952 1.00 0.00 C ATOM 1273 C PHE A 81 1.316 6.443 -5.470 1.00 0.00 C ATOM 1274 O PHE A 81 0.709 7.204 -4.716 1.00 0.00 O ATOM 1275 CB PHE A 81 1.900 4.417 -4.123 1.00 0.00 C ATOM 1276 CG PHE A 81 0.770 3.690 -4.794 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.508 4.225 -4.801 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.986 2.472 -5.419 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.550 3.558 -5.417 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.052 1.801 -6.037 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.321 2.345 -6.037 1.00 0.00 C ATOM 0 H PHE A 81 2.977 6.805 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 81 3.003 5.172 -5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.702 3.710 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.555 4.802 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.692 5.174 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.977 2.042 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.542 3.985 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.129 0.852 -6.520 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.133 1.823 -6.521 1.00 0.00 H new ATOM 1291 N PHE A 82 1.029 6.324 -6.762 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.039 7.099 -7.382 1.00 0.00 C ATOM 1293 C PHE A 82 -0.727 6.294 -8.481 1.00 0.00 C ATOM 1294 O PHE A 82 -0.110 5.443 -9.121 1.00 0.00 O ATOM 1295 CB PHE A 82 0.516 8.402 -7.960 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.280 8.930 -9.120 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.290 8.260 -10.332 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.017 10.097 -8.997 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.021 8.745 -11.401 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.750 10.586 -10.062 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.753 9.908 -11.265 1.00 0.00 C ATOM 0 H PHE A 82 1.521 5.698 -7.400 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.775 7.336 -6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.542 9.157 -7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.545 8.239 -8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.279 7.349 -10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.019 10.631 -8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.019 8.214 -12.342 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.320 11.497 -9.953 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.327 10.287 -12.098 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.010 6.570 -8.693 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.783 5.873 -9.714 1.00 0.00 C ATOM 1313 C VAL A 83 -3.662 6.842 -10.496 1.00 0.00 C ATOM 1314 O VAL A 83 -4.110 7.858 -9.963 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.671 4.777 -9.095 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.650 4.237 -10.127 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.814 3.657 -8.524 1.00 0.00 C ATOM 0 H VAL A 83 -2.536 7.271 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.066 5.410 -10.392 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.245 5.216 -8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.269 3.464 -9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.286 5.047 -10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.098 3.813 -10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.457 2.891 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.212 3.218 -9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.158 4.059 -7.752 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.905 6.523 -11.763 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.731 7.366 -12.619 1.00 0.00 C ATOM 1329 C ARG A 84 -6.113 7.573 -12.007 1.00 0.00 C ATOM 1330 O ARG A 84 -6.562 8.706 -11.834 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.864 6.743 -14.009 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.832 7.483 -14.918 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.562 7.181 -16.383 1.00 0.00 C ATOM 1334 NE ARG A 84 -6.591 7.739 -17.256 1.00 0.00 N ATOM 1335 CZ ARG A 84 -6.821 7.307 -18.491 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -6.099 6.316 -18.995 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -7.776 7.866 -19.224 1.00 0.00 N ATOM 0 H ARG A 84 -3.541 5.686 -12.220 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.244 8.337 -12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.882 6.717 -14.482 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.195 5.710 -13.905 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.855 7.200 -14.670 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.747 8.556 -14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.590 7.587 -16.663 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.511 6.102 -16.527 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.165 8.502 -16.898 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.365 5.883 -18.434 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.278 5.986 -19.944 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.334 8.628 -18.839 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.952 7.534 -20.172 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.783 6.471 -11.684 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.114 6.533 -11.093 1.00 0.00 C ATOM 1353 C GLN A 85 -8.221 5.598 -9.893 1.00 0.00 C ATOM 1354 O GLN A 85 -7.836 4.431 -9.967 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.174 6.169 -12.134 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.898 4.857 -12.851 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.079 4.381 -13.673 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.890 3.579 -13.209 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.183 4.875 -14.901 1.00 0.00 N ATOM 0 H GLN A 85 -6.426 5.526 -11.822 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.285 7.554 -10.751 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.146 6.108 -11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.238 6.970 -12.871 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.032 4.979 -13.502 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.640 4.094 -12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.488 5.538 -15.245 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.958 4.592 -15.501 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.746 6.118 -8.789 1.00 0.00 N ATOM 1369 CA ALA A 86 -8.905 5.329 -7.573 1.00 0.00 C ATOM 1370 C ALA A 86 -10.211 4.542 -7.597 1.00 0.00 C ATOM 1371 O ALA A 86 -10.940 4.502 -6.606 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.852 6.230 -6.348 1.00 0.00 C ATOM 0 H ALA A 86 -9.069 7.082 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.082 4.616 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.972 5.627 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.891 6.744 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.655 6.965 -6.402 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.501 3.919 -8.734 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.719 3.133 -8.885 1.00 0.00 C ATOM 1380 C ALA A 87 -11.945 2.233 -7.675 1.00 0.00 C ATOM 1381 O ALA A 87 -10.996 1.831 -7.002 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.655 2.302 -10.158 1.00 0.00 C ATOM 0 H ALA A 87 -9.909 3.943 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.561 3.822 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.571 1.720 -10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.548 2.962 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.800 1.628 -10.110 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.208 1.922 -7.403 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.559 1.071 -6.272 1.00 0.00 C ATOM 1390 C ARG A 88 -12.591 -0.102 -6.153 1.00 0.00 C ATOM 1391 O ARG A 88 -12.034 -0.355 -5.085 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.990 0.552 -6.421 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.046 1.524 -5.920 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.440 1.111 -6.365 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.935 -0.041 -5.616 1.00 0.00 N ATOM 1396 CZ ARG A 88 -19.032 -0.715 -5.945 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -19.744 -0.354 -7.003 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.418 -1.753 -5.214 1.00 0.00 N ATOM 0 H ARG A 88 -14.005 2.246 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.490 1.670 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.180 0.332 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.085 -0.387 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.010 1.573 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.826 2.525 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.125 1.949 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.425 0.873 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.410 -0.345 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.450 0.443 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -20.586 -0.873 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.873 -2.034 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -20.260 -2.270 -5.467 1.00 0.00 H new ATOM 1412 N SER A 89 -12.396 -0.816 -7.258 1.00 0.00 N ATOM 1413 CA SER A 89 -11.499 -1.965 -7.277 1.00 0.00 C ATOM 1414 C SER A 89 -10.223 -1.672 -6.493 1.00 0.00 C ATOM 1415 O SER A 89 -9.851 -2.420 -5.588 1.00 0.00 O ATOM 1416 CB SER A 89 -11.150 -2.343 -8.718 1.00 0.00 C ATOM 1417 OG SER A 89 -10.620 -1.233 -9.422 1.00 0.00 O ATOM 0 H SER A 89 -12.847 -0.618 -8.151 1.00 0.00 H new ATOM 0 HA SER A 89 -12.012 -2.802 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.426 -3.158 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.041 -2.709 -9.227 1.00 0.00 H new ATOM 0 HG SER A 89 -10.403 -1.501 -10.340 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.558 -0.578 -6.846 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.324 -0.183 -6.176 1.00 0.00 C ATOM 1425 C ASP A 90 -8.380 -0.524 -4.690 1.00 0.00 C ATOM 1426 O ASP A 90 -7.448 -1.114 -4.143 1.00 0.00 O ATOM 1427 CB ASP A 90 -8.076 1.315 -6.359 1.00 0.00 C ATOM 1428 CG ASP A 90 -8.155 1.741 -7.812 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -9.133 1.362 -8.490 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -7.239 2.455 -8.271 1.00 0.00 O ATOM 0 H ASP A 90 -9.852 0.052 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.501 -0.737 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.809 1.875 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.093 1.569 -5.962 1.00 0.00 H new ATOM 1435 N SER A 91 -9.478 -0.147 -4.043 1.00 0.00 N ATOM 1436 CA SER A 91 -9.654 -0.409 -2.619 1.00 0.00 C ATOM 1437 C SER A 91 -9.083 -1.773 -2.243 1.00 0.00 C ATOM 1438 O SER A 91 -9.547 -2.806 -2.722 1.00 0.00 O ATOM 1439 CB SER A 91 -11.136 -0.343 -2.245 1.00 0.00 C ATOM 1440 OG SER A 91 -11.814 -1.522 -2.641 1.00 0.00 O ATOM 0 H SER A 91 -10.259 0.341 -4.482 1.00 0.00 H new ATOM 0 HA SER A 91 -9.113 0.358 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.237 -0.206 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.596 0.523 -2.721 1.00 0.00 H new ATOM 0 HG SER A 91 -12.077 -1.448 -3.582 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.071 -1.766 -1.380 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.452 -3.008 -0.953 1.00 0.00 C ATOM 1448 C GLY A 92 -6.480 -2.808 0.193 1.00 0.00 C ATOM 1449 O GLY A 92 -6.654 -1.905 1.011 1.00 0.00 O ATOM 0 H GLY A 92 -7.669 -0.923 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.228 -3.711 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.927 -3.457 -1.796 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.456 -3.652 0.252 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.454 -3.564 1.309 1.00 0.00 C ATOM 1455 C GLU A 93 -3.045 -3.659 0.732 1.00 0.00 C ATOM 1456 O GLU A 93 -2.637 -4.708 0.231 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.671 -4.673 2.341 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.934 -4.439 3.649 1.00 0.00 C ATOM 1459 CD GLU A 93 -3.557 -5.732 4.345 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.635 -6.421 3.861 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.185 -6.055 5.375 1.00 0.00 O ATOM 0 H GLU A 93 -5.298 -4.404 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.563 -2.596 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.738 -4.764 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.346 -5.623 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.032 -3.859 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.560 -3.842 4.313 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.306 -2.558 0.805 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.944 -2.515 0.288 1.00 0.00 C ATOM 1470 C TYR A 94 0.070 -2.759 1.402 1.00 0.00 C ATOM 1471 O TYR A 94 0.131 -2.008 2.375 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.671 -1.166 -0.378 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.389 -0.986 -1.697 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.761 -1.178 -1.796 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.694 -0.622 -2.844 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.421 -1.016 -2.998 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.346 -0.456 -4.051 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.709 -0.654 -4.123 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.362 -0.490 -5.323 1.00 0.00 O ATOM 0 H TYR A 94 -2.628 -1.683 1.218 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.839 -3.307 -0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.970 -0.368 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.402 -1.061 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.322 -1.459 -0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.373 -0.466 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.488 -1.172 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.791 -0.173 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.716 -0.234 -6.014 1.00 0.00 H new ATOM 1489 N GLU A 95 0.863 -3.815 1.251 1.00 0.00 N ATOM 1490 CA GLU A 95 1.874 -4.158 2.244 1.00 0.00 C ATOM 1491 C GLU A 95 3.265 -3.743 1.771 1.00 0.00 C ATOM 1492 O GLU A 95 3.781 -4.271 0.785 1.00 0.00 O ATOM 1493 CB GLU A 95 1.849 -5.661 2.531 1.00 0.00 C ATOM 1494 CG GLU A 95 2.764 -6.078 3.671 1.00 0.00 C ATOM 1495 CD GLU A 95 3.242 -7.511 3.540 1.00 0.00 C ATOM 1496 OE1 GLU A 95 4.132 -7.766 2.702 1.00 0.00 O ATOM 1497 OE2 GLU A 95 2.727 -8.377 4.277 1.00 0.00 O ATOM 0 H GLU A 95 0.825 -4.447 0.451 1.00 0.00 H new ATOM 0 HA GLU A 95 1.644 -3.616 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.828 -5.960 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.138 -6.200 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.627 -5.412 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.236 -5.960 4.617 1.00 0.00 H new ATOM 1504 N LEU A 96 3.865 -2.793 2.479 1.00 0.00 N ATOM 1505 CA LEU A 96 5.195 -2.305 2.133 1.00 0.00 C ATOM 1506 C LEU A 96 6.267 -3.018 2.952 1.00 0.00 C ATOM 1507 O LEU A 96 6.187 -3.078 4.179 1.00 0.00 O ATOM 1508 CB LEU A 96 5.282 -0.796 2.362 1.00 0.00 C ATOM 1509 CG LEU A 96 6.293 -0.042 1.496 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.077 1.459 1.608 1.00 0.00 C ATOM 1511 CD2 LEU A 96 7.715 -0.409 1.894 1.00 0.00 C ATOM 0 H LEU A 96 3.451 -2.345 3.297 1.00 0.00 H new ATOM 0 HA LEU A 96 5.369 -2.516 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.295 -0.365 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.529 -0.621 3.409 1.00 0.00 H new ATOM 0 HG LEU A 96 6.141 -0.334 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.805 1.979 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.070 1.708 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.201 1.768 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.421 0.137 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.880 -0.147 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.865 -1.480 1.761 1.00 0.00 H new ATOM 1523 N SER A 97 7.270 -3.555 2.265 1.00 0.00 N ATOM 1524 CA SER A 97 8.357 -4.266 2.928 1.00 0.00 C ATOM 1525 C SER A 97 9.712 -3.773 2.428 1.00 0.00 C ATOM 1526 O SER A 97 10.028 -3.886 1.244 1.00 0.00 O ATOM 1527 CB SER A 97 8.230 -5.772 2.691 1.00 0.00 C ATOM 1528 OG SER A 97 7.006 -6.267 3.206 1.00 0.00 O ATOM 0 H SER A 97 7.353 -3.511 1.249 1.00 0.00 H new ATOM 0 HA SER A 97 8.289 -4.068 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.290 -5.982 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.064 -6.290 3.165 1.00 0.00 H new ATOM 0 HG SER A 97 6.948 -7.231 3.041 1.00 0.00 H new ATOM 1534 N VAL A 98 10.509 -3.227 3.341 1.00 0.00 N ATOM 1535 CA VAL A 98 11.831 -2.717 2.995 1.00 0.00 C ATOM 1536 C VAL A 98 12.902 -3.783 3.202 1.00 0.00 C ATOM 1537 O VAL A 98 13.171 -4.194 4.330 1.00 0.00 O ATOM 1538 CB VAL A 98 12.190 -1.475 3.830 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.580 -0.972 3.469 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.151 -0.382 3.633 1.00 0.00 C ATOM 0 H VAL A 98 10.263 -3.126 4.326 1.00 0.00 H new ATOM 0 HA VAL A 98 11.798 -2.439 1.942 1.00 0.00 H new ATOM 0 HB VAL A 98 12.193 -1.756 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.816 -0.094 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.313 -1.754 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.608 -0.707 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.421 0.489 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.113 -0.102 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.173 -0.748 3.946 1.00 0.00 H new ATOM 1550 N GLN A 99 13.509 -4.224 2.105 1.00 0.00 N ATOM 1551 CA GLN A 99 14.551 -5.242 2.167 1.00 0.00 C ATOM 1552 C GLN A 99 15.934 -4.603 2.227 1.00 0.00 C ATOM 1553 O GLN A 99 16.265 -3.739 1.415 1.00 0.00 O ATOM 1554 CB GLN A 99 14.458 -6.172 0.956 1.00 0.00 C ATOM 1555 CG GLN A 99 15.018 -7.562 1.211 1.00 0.00 C ATOM 1556 CD GLN A 99 14.615 -8.559 0.143 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.753 -8.279 -0.690 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.238 -9.731 0.161 1.00 0.00 N ATOM 0 H GLN A 99 13.298 -3.893 1.164 1.00 0.00 H new ATOM 0 HA GLN A 99 14.400 -5.824 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.414 -6.260 0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.994 -5.721 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.106 -7.508 1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.672 -7.916 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.946 -9.921 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.008 -10.441 -0.534 1.00 0.00 H new ATOM 1567 N ILE A 100 16.738 -5.032 3.194 1.00 0.00 N ATOM 1568 CA ILE A 100 18.086 -4.502 3.359 1.00 0.00 C ATOM 1569 C ILE A 100 19.132 -5.598 3.191 1.00 0.00 C ATOM 1570 O ILE A 100 18.828 -6.784 3.312 1.00 0.00 O ATOM 1571 CB ILE A 100 18.266 -3.842 4.739 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.239 -2.725 4.933 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.680 -3.300 4.886 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.593 -1.446 4.208 1.00 0.00 C ATOM 0 H ILE A 100 16.479 -5.745 3.875 1.00 0.00 H new ATOM 0 HA ILE A 100 18.226 -3.748 2.584 1.00 0.00 H new ATOM 0 HB ILE A 100 18.104 -4.596 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.266 -3.073 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.140 -2.514 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.792 -2.837 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.395 -4.117 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.868 -2.558 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.821 -0.699 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.551 -1.074 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.663 -1.642 3.138 1.00 0.00 H new ATOM 1586 N GLU A 101 20.367 -5.192 2.913 1.00 0.00 N ATOM 1587 CA GLU A 101 21.460 -6.140 2.730 1.00 0.00 C ATOM 1588 C GLU A 101 21.268 -7.368 3.615 1.00 0.00 C ATOM 1589 O GLU A 101 21.372 -8.503 3.151 1.00 0.00 O ATOM 1590 CB GLU A 101 22.801 -5.475 3.045 1.00 0.00 C ATOM 1591 CG GLU A 101 23.331 -4.608 1.915 1.00 0.00 C ATOM 1592 CD GLU A 101 24.834 -4.420 1.980 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.564 -5.287 1.455 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.281 -3.406 2.555 1.00 0.00 O ATOM 0 H GLU A 101 20.636 -4.213 2.810 1.00 0.00 H new ATOM 0 HA GLU A 101 21.458 -6.460 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.692 -4.863 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.535 -6.247 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.066 -5.061 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.845 -3.633 1.951 1.00 0.00 H new ATOM 1601 N ASN A 102 20.988 -7.131 4.892 1.00 0.00 N ATOM 1602 CA ASN A 102 20.784 -8.218 5.844 1.00 0.00 C ATOM 1603 C ASN A 102 19.505 -8.002 6.648 1.00 0.00 C ATOM 1604 O ASN A 102 18.845 -8.960 7.051 1.00 0.00 O ATOM 1605 CB ASN A 102 21.981 -8.328 6.789 1.00 0.00 C ATOM 1606 CG ASN A 102 21.603 -8.912 8.137 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.132 -8.200 9.024 1.00 0.00 O ATOM 1608 ND2 ASN A 102 21.807 -10.214 8.296 1.00 0.00 N ATOM 0 H ASN A 102 20.897 -6.197 5.292 1.00 0.00 H new ATOM 0 HA ASN A 102 20.688 -9.147 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.748 -8.951 6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.418 -7.340 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 102 21.571 -10.663 9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.200 -10.766 7.533 1.00 0.00 H new ATOM 1615 N MET A 103 19.162 -6.739 6.876 1.00 0.00 N ATOM 1616 CA MET A 103 17.961 -6.398 7.631 1.00 0.00 C ATOM 1617 C MET A 103 16.735 -6.383 6.723 1.00 0.00 C ATOM 1618 O MET A 103 16.856 -6.391 5.498 1.00 0.00 O ATOM 1619 CB MET A 103 18.127 -5.035 8.306 1.00 0.00 C ATOM 1620 CG MET A 103 19.096 -5.051 9.476 1.00 0.00 C ATOM 1621 SD MET A 103 18.572 -6.160 10.798 1.00 0.00 S ATOM 1622 CE MET A 103 17.365 -5.138 11.638 1.00 0.00 C ATOM 0 H MET A 103 19.698 -5.935 6.549 1.00 0.00 H new ATOM 0 HA MET A 103 17.815 -7.159 8.397 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.474 -4.313 7.567 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.154 -4.691 8.656 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.081 -5.354 9.122 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.197 -4.041 9.873 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.949 -5.686 12.483 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.846 -4.228 11.997 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.565 -4.877 10.946 1.00 0.00 H new ATOM 1632 N LYS A 104 15.554 -6.362 7.332 1.00 0.00 N ATOM 1633 CA LYS A 104 14.305 -6.344 6.580 1.00 0.00 C ATOM 1634 C LYS A 104 13.172 -5.766 7.420 1.00 0.00 C ATOM 1635 O LYS A 104 13.178 -5.873 8.647 1.00 0.00 O ATOM 1636 CB LYS A 104 13.943 -7.759 6.121 1.00 0.00 C ATOM 1637 CG LYS A 104 12.854 -7.794 5.062 1.00 0.00 C ATOM 1638 CD LYS A 104 11.473 -7.906 5.686 1.00 0.00 C ATOM 1639 CE LYS A 104 11.078 -9.358 5.908 1.00 0.00 C ATOM 1640 NZ LYS A 104 11.670 -9.909 7.159 1.00 0.00 N ATOM 0 H LYS A 104 15.436 -6.357 8.345 1.00 0.00 H new ATOM 0 HA LYS A 104 14.445 -5.709 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.836 -8.244 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.618 -8.340 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.907 -6.891 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.022 -8.639 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.458 -7.374 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.740 -7.423 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.992 -9.436 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.404 -9.957 5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.075 -10.685 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.626 -10.268 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.723 -9.159 7.877 1.00 0.00 H new ATOM 1654 N ASP A 105 12.200 -5.153 6.753 1.00 0.00 N ATOM 1655 CA ASP A 105 11.058 -4.560 7.439 1.00 0.00 C ATOM 1656 C ASP A 105 9.761 -4.853 6.690 1.00 0.00 C ATOM 1657 O ASP A 105 9.779 -5.208 5.511 1.00 0.00 O ATOM 1658 CB ASP A 105 11.249 -3.049 7.580 1.00 0.00 C ATOM 1659 CG ASP A 105 12.048 -2.679 8.814 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.586 -3.596 9.470 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.137 -1.473 9.123 1.00 0.00 O ATOM 0 H ASP A 105 12.180 -5.054 5.738 1.00 0.00 H new ATOM 0 HA ASP A 105 10.992 -5.005 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.756 -2.666 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.273 -2.565 7.624 1.00 0.00 H new ATOM 1666 N THR A 106 8.637 -4.703 7.383 1.00 0.00 N ATOM 1667 CA THR A 106 7.331 -4.954 6.784 1.00 0.00 C ATOM 1668 C THR A 106 6.289 -3.973 7.308 1.00 0.00 C ATOM 1669 O THR A 106 6.457 -3.386 8.376 1.00 0.00 O ATOM 1670 CB THR A 106 6.852 -6.391 7.063 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.901 -6.660 8.469 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.711 -7.402 6.319 1.00 0.00 C ATOM 0 H THR A 106 8.604 -4.409 8.359 1.00 0.00 H new ATOM 0 HA THR A 106 7.445 -4.819 5.708 1.00 0.00 H new ATOM 0 HB THR A 106 5.824 -6.482 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.593 -7.575 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.354 -8.410 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.649 -7.214 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.747 -7.308 6.644 1.00 0.00 H new ATOM 1680 N ALA A 107 5.212 -3.800 6.549 1.00 0.00 N ATOM 1681 CA ALA A 107 4.141 -2.891 6.938 1.00 0.00 C ATOM 1682 C ALA A 107 2.879 -3.148 6.121 1.00 0.00 C ATOM 1683 O ALA A 107 2.946 -3.631 4.990 1.00 0.00 O ATOM 1684 CB ALA A 107 4.590 -1.446 6.779 1.00 0.00 C ATOM 0 H ALA A 107 5.058 -4.278 5.661 1.00 0.00 H new ATOM 0 HA ALA A 107 3.907 -3.073 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.780 -0.779 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.459 -1.263 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.854 -1.259 5.738 1.00 0.00 H new ATOM 1690 N THR A 108 1.728 -2.822 6.700 1.00 0.00 N ATOM 1691 CA THR A 108 0.451 -3.019 6.026 1.00 0.00 C ATOM 1692 C THR A 108 -0.337 -1.716 5.949 1.00 0.00 C ATOM 1693 O THR A 108 -0.410 -0.965 6.922 1.00 0.00 O ATOM 1694 CB THR A 108 -0.405 -4.081 6.743 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.312 -5.318 6.818 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.723 -4.296 6.014 1.00 0.00 C ATOM 0 H THR A 108 1.654 -2.420 7.635 1.00 0.00 H new ATOM 0 HA THR A 108 0.676 -3.365 5.017 1.00 0.00 H new ATOM 0 HB THR A 108 -0.620 -3.724 7.750 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.238 -5.987 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.310 -5.050 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.279 -3.359 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.525 -4.633 4.997 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.925 -1.454 4.787 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.709 -0.242 4.584 1.00 0.00 C ATOM 1706 C ILE A 109 -3.144 -0.574 4.190 1.00 0.00 C ATOM 1707 O ILE A 109 -3.392 -1.542 3.470 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.086 0.657 3.500 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.310 1.116 3.927 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.982 1.856 3.226 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.156 1.624 2.780 1.00 0.00 C ATOM 0 H ILE A 109 -0.873 -2.065 3.972 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.710 0.295 5.533 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.993 0.080 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.212 1.905 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.826 0.285 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.528 2.482 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.957 1.511 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.104 2.436 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.132 1.932 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.285 0.831 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.662 2.476 2.313 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.085 0.235 4.664 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.496 0.027 4.361 1.00 0.00 C ATOM 1725 C ARG A 110 -6.025 1.132 3.451 1.00 0.00 C ATOM 1726 O ARG A 110 -6.041 2.304 3.827 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.315 -0.022 5.652 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.233 -1.356 6.376 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.020 -1.333 7.677 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.229 -0.803 8.785 1.00 0.00 N ATOM 1731 CZ ARG A 110 -5.136 -1.393 9.256 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -4.706 -2.526 8.718 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -4.470 -0.849 10.267 1.00 0.00 N ATOM 0 H ARG A 110 -3.896 1.041 5.260 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.594 -0.926 3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.970 0.766 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.358 0.191 5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.618 -2.146 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.190 -1.595 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.916 -0.726 7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.351 -2.343 7.918 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.533 0.068 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.215 -2.947 7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.866 -2.977 9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.797 0.023 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.631 -1.303 10.628 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.455 0.749 2.254 1.00 0.00 N ATOM 1748 CA ILE A 111 -6.985 1.707 1.291 1.00 0.00 C ATOM 1749 C ILE A 111 -8.453 1.426 0.987 1.00 0.00 C ATOM 1750 O ILE A 111 -8.806 0.337 0.534 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.186 1.684 -0.025 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.722 2.044 0.236 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.800 2.641 -1.035 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.840 1.914 -0.987 1.00 0.00 C ATOM 0 H ILE A 111 -6.447 -0.217 1.928 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.893 2.694 1.745 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.225 0.676 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.668 3.068 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.333 1.400 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.224 2.613 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.829 2.344 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.788 3.653 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.816 2.185 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.863 0.885 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.204 2.579 -1.770 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.304 2.416 1.237 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.733 2.276 0.989 1.00 0.00 C ATOM 1768 C ARG A 112 -11.220 3.331 -0.001 1.00 0.00 C ATOM 1769 O ARG A 112 -10.964 4.523 0.171 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.514 2.392 2.299 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.022 2.345 2.116 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.751 2.688 3.406 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.049 2.024 3.494 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.196 0.708 3.599 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -14.131 -0.081 3.629 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -16.410 0.179 3.675 1.00 0.00 N ATOM 0 H ARG A 112 -9.028 3.324 1.611 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.906 1.290 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.212 1.583 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.245 3.327 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.317 3.044 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.318 1.350 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.137 2.397 4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.891 3.767 3.467 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.889 2.603 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.196 0.322 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.247 -1.091 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.232 0.783 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.522 -0.832 3.756 1.00 0.00 H new ATOM 1790 N VAL A 113 -11.921 2.883 -1.038 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.443 3.788 -2.055 1.00 0.00 C ATOM 1792 C VAL A 113 -13.939 4.018 -1.870 1.00 0.00 C ATOM 1793 O VAL A 113 -14.674 3.111 -1.480 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.191 3.244 -3.473 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.903 4.101 -4.509 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.698 3.177 -3.760 1.00 0.00 C ATOM 0 H VAL A 113 -12.140 1.899 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.915 4.734 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.596 2.234 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.713 3.701 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.975 4.093 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.532 5.124 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.538 2.790 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.267 4.175 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.218 2.517 -3.037 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.384 5.238 -2.152 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.793 5.588 -2.018 1.00 0.00 C ATOM 1808 C VAL A 114 -16.288 6.353 -3.241 1.00 0.00 C ATOM 1809 O VAL A 114 -15.570 7.182 -3.798 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.043 6.439 -0.759 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.601 5.688 0.489 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.327 7.776 -0.868 1.00 0.00 C ATOM 0 H VAL A 114 -13.789 6.001 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.344 4.652 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.113 6.632 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.785 6.304 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.164 4.758 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.537 5.463 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.515 8.364 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.255 7.607 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.697 8.317 -1.739 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.520 6.069 -3.652 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.110 6.730 -4.809 1.00 0.00 C ATOM 1824 C GLU A 115 -18.433 8.189 -4.496 1.00 0.00 C ATOM 1825 O GLU A 115 -18.945 8.507 -3.423 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.380 5.999 -5.250 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.130 4.577 -5.724 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.198 4.085 -6.681 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.211 3.530 -6.204 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.022 4.254 -7.905 1.00 0.00 O ATOM 0 H GLU A 115 -18.128 5.386 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.383 6.702 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.084 5.977 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.853 6.563 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.158 4.527 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.087 3.913 -4.861 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.129 9.072 -5.441 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.386 10.497 -5.269 1.00 0.00 C ATOM 1839 C LYS A 116 -19.817 10.739 -4.800 1.00 0.00 C ATOM 1840 O LYS A 116 -20.773 10.317 -5.450 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.135 11.243 -6.581 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.008 12.747 -6.411 1.00 0.00 C ATOM 1843 CD LYS A 116 -19.368 13.424 -6.400 1.00 0.00 C ATOM 1844 CE LYS A 116 -19.254 14.899 -6.045 1.00 0.00 C ATOM 1845 NZ LYS A 116 -18.585 15.678 -7.123 1.00 0.00 N ATOM 0 H LYS A 116 -17.704 8.826 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.704 10.875 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.223 10.859 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.952 11.032 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.484 12.966 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.404 13.156 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.835 13.319 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -20.018 12.925 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -20.249 15.307 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.693 15.007 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.542 16.681 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.621 15.316 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.125 15.582 -8.007 1.00 0.00 H new