USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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 69 ASN : amide:sc= 0.177 K(o=-0.33,f=-1.1) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.51 K(o=-0.33,f=-1.1) USER MOD Set 2.1: A 36 HIS : no HD1:sc= -2.08 K(o=-3.2,f=-2) USER MOD Set 2.2: A 55 GLN : amide:sc= -1.15 K(o=-3.2,f=-2) USER MOD Single : A 19 GLN : amide:sc= -0.0614 K(o=-0.061,f=-0.91) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= -0.0372 (180deg=-0.443) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 28 ASN : amide:sc= -9.37! C(o=-9.4!,f=-12!) USER MOD Single : A 29 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-0.91) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.938 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -150:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -5.47! C(o=-5.5!,f=-4.6!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 48 THR OG1 : rot 51:sc= 0.0772 USER MOD Single : A 58 GLN : amide:sc= -0.0967 K(o=-0.097,f=-2!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.123 (180deg=-0.59) USER MOD Single : A 74 ASN : amide:sc= -0.0177 K(o=-0.018,f=-0.85) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -144:sc= -0.1 (180deg=-2.23!) USER MOD Single : A 81 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.5!) USER MOD Single : A 85 CYS SG : rot 68:sc= -0.141 USER MOD Single : A 87 ASN : amide:sc= 0.224 X(o=0.22,f=-0.011) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 17:sc= 0.211 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 108 ASN : amide:sc= -2.01! K(o=-2!,f=-0.7) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.429 USER MOD Single : A 120 SER OG : rot -97:sc= 0.183 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.270 16.648 -6.057 1.00 0.00 N ATOM 202 CA GLY A 15 1.765 16.965 -4.734 1.00 0.00 C ATOM 203 C GLY A 15 1.119 15.772 -4.059 1.00 0.00 C ATOM 204 O GLY A 15 0.874 14.746 -4.695 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.584 17.330 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.038 17.773 -4.810 1.00 0.00 H new ATOM 208 N LEU A 16 0.843 15.904 -2.766 1.00 0.00 N ATOM 209 CA LEU A 16 0.223 14.826 -2.002 1.00 0.00 C ATOM 210 C LEU A 16 -0.814 14.089 -2.844 1.00 0.00 C ATOM 211 O LEU A 16 -0.737 12.873 -3.014 1.00 0.00 O ATOM 212 CB LEU A 16 -0.433 15.383 -0.738 1.00 0.00 C ATOM 213 CG LEU A 16 0.519 15.823 0.375 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.257 16.432 1.532 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.358 14.647 0.854 1.00 0.00 C ATOM 0 H LEU A 16 1.038 16.746 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 16 1.003 14.119 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.050 16.236 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.103 14.623 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 16 1.189 16.583 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.437 16.739 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.814 17.300 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.952 15.694 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.030 14.978 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.703 13.865 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.943 14.255 0.022 1.00 0.00 H new ATOM 227 N GLU A 17 -1.781 14.834 -3.369 1.00 0.00 N ATOM 228 CA GLU A 17 -2.832 14.250 -4.195 1.00 0.00 C ATOM 229 C GLU A 17 -2.236 13.484 -5.372 1.00 0.00 C ATOM 230 O GLU A 17 -2.670 12.376 -5.688 1.00 0.00 O ATOM 231 CB GLU A 17 -3.774 15.341 -4.707 1.00 0.00 C ATOM 232 CG GLU A 17 -4.797 15.795 -3.678 1.00 0.00 C ATOM 233 CD GLU A 17 -5.503 17.074 -4.082 1.00 0.00 C ATOM 234 OE1 GLU A 17 -4.909 18.159 -3.912 1.00 0.00 O ATOM 235 OE2 GLU A 17 -6.649 16.990 -4.570 1.00 0.00 O ATOM 0 H GLU A 17 -1.859 15.842 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.398 13.552 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.183 16.201 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.297 14.973 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.536 15.007 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.300 15.946 -2.720 1.00 0.00 H new ATOM 242 N ASP A 18 -1.240 14.082 -6.016 1.00 0.00 N ATOM 243 CA ASP A 18 -0.584 13.456 -7.159 1.00 0.00 C ATOM 244 C ASP A 18 0.161 12.194 -6.733 1.00 0.00 C ATOM 245 O ASP A 18 0.312 11.258 -7.518 1.00 0.00 O ATOM 246 CB ASP A 18 0.387 14.438 -7.817 1.00 0.00 C ATOM 247 CG ASP A 18 -0.290 15.314 -8.853 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.425 15.768 -8.597 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.316 15.546 -9.920 1.00 0.00 O ATOM 0 H ASP A 18 -0.869 14.999 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.352 13.178 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.837 15.069 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.197 13.882 -8.289 1.00 0.00 H new ATOM 254 N GLN A 19 0.623 12.178 -5.487 1.00 0.00 N ATOM 255 CA GLN A 19 1.353 11.031 -4.959 1.00 0.00 C ATOM 256 C GLN A 19 0.438 9.819 -4.823 1.00 0.00 C ATOM 257 O GLN A 19 0.791 8.712 -5.232 1.00 0.00 O ATOM 258 CB GLN A 19 1.971 11.374 -3.603 1.00 0.00 C ATOM 259 CG GLN A 19 3.066 12.425 -3.681 1.00 0.00 C ATOM 260 CD GLN A 19 4.113 12.259 -2.597 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.896 11.554 -1.611 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.257 12.908 -2.775 1.00 0.00 N ATOM 0 H GLN A 19 0.505 12.945 -4.825 1.00 0.00 H new ATOM 0 HA GLN A 19 2.149 10.784 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.186 11.728 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.381 10.466 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.548 12.371 -4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.619 13.416 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.394 13.481 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.999 12.833 -2.079 1.00 0.00 H new ATOM 271 N LYS A 20 -0.739 10.034 -4.246 1.00 0.00 N ATOM 272 CA LYS A 20 -1.706 8.960 -4.056 1.00 0.00 C ATOM 273 C LYS A 20 -1.756 8.049 -5.278 1.00 0.00 C ATOM 274 O LYS A 20 -1.702 6.826 -5.155 1.00 0.00 O ATOM 275 CB LYS A 20 -3.096 9.540 -3.782 1.00 0.00 C ATOM 276 CG LYS A 20 -4.230 8.596 -4.141 1.00 0.00 C ATOM 277 CD LYS A 20 -5.585 9.267 -3.986 1.00 0.00 C ATOM 278 CE LYS A 20 -6.717 8.253 -4.022 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.996 8.864 -4.479 1.00 0.00 N ATOM 0 H LYS A 20 -1.046 10.943 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.389 8.368 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.171 9.799 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.212 10.465 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.108 8.254 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.185 7.713 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.615 9.814 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.724 9.997 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.448 7.433 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.853 7.826 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.796 8.324 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.049 9.848 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.037 8.847 -5.518 1.00 0.00 H new ATOM 293 N ARG A 21 -1.856 8.655 -6.457 1.00 0.00 N ATOM 294 CA ARG A 21 -1.912 7.898 -7.702 1.00 0.00 C ATOM 295 C ARG A 21 -0.625 7.106 -7.916 1.00 0.00 C ATOM 296 O ARG A 21 -0.656 5.886 -8.080 1.00 0.00 O ATOM 297 CB ARG A 21 -2.147 8.838 -8.886 1.00 0.00 C ATOM 298 CG ARG A 21 -2.632 8.130 -10.140 1.00 0.00 C ATOM 299 CD ARG A 21 -4.085 7.700 -10.011 1.00 0.00 C ATOM 300 NE ARG A 21 -4.731 7.556 -11.313 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.064 8.584 -12.085 1.00 0.00 C ATOM 302 NH1 ARG A 21 -4.814 9.824 -11.689 1.00 0.00 N ATOM 303 NH2 ARG A 21 -5.649 8.372 -13.257 1.00 0.00 N ATOM 0 H ARG A 21 -1.900 9.667 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.743 7.196 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.879 9.593 -8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.219 9.363 -9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.522 8.793 -10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.008 7.256 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.136 6.753 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.629 8.434 -9.416 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.938 6.615 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.364 9.991 -10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.071 10.611 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.843 7.419 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.905 9.162 -13.850 1.00 0.00 H new ATOM 317 N ILE A 22 0.502 7.808 -7.912 1.00 0.00 N ATOM 318 CA ILE A 22 1.799 7.171 -8.105 1.00 0.00 C ATOM 319 C ILE A 22 1.860 5.824 -7.393 1.00 0.00 C ATOM 320 O ILE A 22 2.247 4.815 -7.984 1.00 0.00 O ATOM 321 CB ILE A 22 2.946 8.062 -7.592 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.024 9.352 -8.411 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.268 7.311 -7.651 1.00 0.00 C ATOM 324 CD1 ILE A 22 3.962 10.384 -7.826 1.00 0.00 C ATOM 0 H ILE A 22 0.544 8.818 -7.777 1.00 0.00 H new ATOM 0 HA ILE A 22 1.920 7.019 -9.178 1.00 0.00 H new ATOM 0 HB ILE A 22 2.745 8.324 -6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.348 9.111 -9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.026 9.783 -8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.068 7.954 -7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.207 6.418 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.477 7.022 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.967 11.272 -8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.627 10.654 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.969 9.971 -7.772 1.00 0.00 H new ATOM 336 N TYR A 23 1.475 5.814 -6.122 1.00 0.00 N ATOM 337 CA TYR A 23 1.487 4.591 -5.329 1.00 0.00 C ATOM 338 C TYR A 23 0.391 3.634 -5.788 1.00 0.00 C ATOM 339 O TYR A 23 0.585 2.418 -5.821 1.00 0.00 O ATOM 340 CB TYR A 23 1.305 4.918 -3.846 1.00 0.00 C ATOM 341 CG TYR A 23 2.427 5.751 -3.268 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.755 5.457 -3.552 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.159 6.832 -2.438 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.783 6.215 -3.026 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.180 7.597 -1.908 1.00 0.00 C ATOM 346 CZ TYR A 23 4.491 7.284 -2.205 1.00 0.00 C ATOM 347 OH TYR A 23 5.511 8.042 -1.678 1.00 0.00 O ATOM 0 H TYR A 23 1.151 6.640 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 23 2.452 4.105 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.363 5.450 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.228 3.987 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.988 4.621 -4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.134 7.079 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.810 5.972 -3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.954 8.435 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 23 5.134 8.756 -1.122 1.00 0.00 H new ATOM 357 N THR A 24 -0.763 4.191 -6.143 1.00 0.00 N ATOM 358 CA THR A 24 -1.891 3.390 -6.600 1.00 0.00 C ATOM 359 C THR A 24 -1.487 2.482 -7.756 1.00 0.00 C ATOM 360 O THR A 24 -1.750 1.279 -7.734 1.00 0.00 O ATOM 361 CB THR A 24 -3.067 4.278 -7.046 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.601 4.986 -5.921 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.162 3.443 -7.692 1.00 0.00 C ATOM 0 H THR A 24 -0.940 5.195 -6.122 1.00 0.00 H new ATOM 0 HA THR A 24 -2.208 2.779 -5.755 1.00 0.00 H new ATOM 0 HB THR A 24 -2.695 4.992 -7.781 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.902 5.549 -5.527 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.982 4.093 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.760 2.929 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.530 2.708 -6.976 1.00 0.00 H new ATOM 371 N ASP A 25 -0.848 3.064 -8.764 1.00 0.00 N ATOM 372 CA ASP A 25 -0.406 2.307 -9.929 1.00 0.00 C ATOM 373 C ASP A 25 0.716 1.342 -9.557 1.00 0.00 C ATOM 374 O ASP A 25 0.751 0.205 -10.027 1.00 0.00 O ATOM 375 CB ASP A 25 0.065 3.255 -11.033 1.00 0.00 C ATOM 376 CG ASP A 25 0.463 2.520 -12.297 1.00 0.00 C ATOM 377 OD1 ASP A 25 -0.322 1.667 -12.759 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.561 2.798 -12.824 1.00 0.00 O ATOM 0 H ASP A 25 -0.624 4.059 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.253 1.727 -10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.731 3.963 -11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.914 3.836 -10.671 1.00 0.00 H new ATOM 383 N TRP A 26 1.630 1.805 -8.712 1.00 0.00 N ATOM 384 CA TRP A 26 2.754 0.983 -8.278 1.00 0.00 C ATOM 385 C TRP A 26 2.271 -0.357 -7.735 1.00 0.00 C ATOM 386 O TRP A 26 2.784 -1.411 -8.112 1.00 0.00 O ATOM 387 CB TRP A 26 3.566 1.717 -7.210 1.00 0.00 C ATOM 388 CG TRP A 26 4.668 0.885 -6.625 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.896 0.648 -7.174 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.639 0.179 -5.380 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.632 -0.163 -6.345 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.885 -0.464 -5.237 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.684 0.029 -4.371 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.196 -1.244 -4.127 1.00 0.00 C ATOM 395 CZ3 TRP A 26 3.995 -0.746 -3.270 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.242 -1.374 -3.154 1.00 0.00 C ATOM 0 H TRP A 26 1.615 2.744 -8.314 1.00 0.00 H new ATOM 0 HA TRP A 26 3.390 0.795 -9.143 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.994 2.620 -7.646 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.897 2.035 -6.410 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.238 1.040 -8.120 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.582 -0.489 -6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.720 0.510 -4.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.156 -1.730 -4.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.264 -0.870 -2.485 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.455 -1.972 -2.280 1.00 0.00 H new ATOM 407 N ALA A 27 1.282 -0.310 -6.849 1.00 0.00 N ATOM 408 CA ALA A 27 0.729 -1.522 -6.257 1.00 0.00 C ATOM 409 C ALA A 27 -0.025 -2.346 -7.295 1.00 0.00 C ATOM 410 O ALA A 27 0.120 -3.566 -7.357 1.00 0.00 O ATOM 411 CB ALA A 27 -0.187 -1.170 -5.094 1.00 0.00 C ATOM 0 H ALA A 27 0.847 0.554 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 27 1.557 -2.125 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.593 -2.084 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.379 -0.630 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.004 -0.544 -5.451 1.00 0.00 H new ATOM 417 N ASN A 28 -0.830 -1.671 -8.109 1.00 0.00 N ATOM 418 CA ASN A 28 -1.607 -2.342 -9.145 1.00 0.00 C ATOM 419 C ASN A 28 -0.758 -3.375 -9.879 1.00 0.00 C ATOM 420 O ASN A 28 -1.220 -4.478 -10.173 1.00 0.00 O ATOM 421 CB ASN A 28 -2.160 -1.319 -10.140 1.00 0.00 C ATOM 422 CG ASN A 28 -3.479 -0.724 -9.685 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.448 -0.683 -10.442 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.520 -0.258 -8.442 1.00 0.00 N ATOM 0 H ASN A 28 -0.961 -0.660 -8.071 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.438 -2.857 -8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.432 -0.519 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.296 -1.797 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.380 0.155 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.692 -0.313 -7.849 1.00 0.00 H new ATOM 431 N HIS A 29 0.486 -3.010 -10.172 1.00 0.00 N ATOM 432 CA HIS A 29 1.401 -3.906 -10.871 1.00 0.00 C ATOM 433 C HIS A 29 1.497 -5.250 -10.156 1.00 0.00 C ATOM 434 O HIS A 29 1.406 -6.306 -10.783 1.00 0.00 O ATOM 435 CB HIS A 29 2.788 -3.271 -10.977 1.00 0.00 C ATOM 436 CG HIS A 29 3.884 -4.264 -11.213 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.786 -5.290 -12.129 1.00 0.00 N ATOM 438 CD2 HIS A 29 5.108 -4.382 -10.647 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.901 -5.998 -12.114 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.720 -5.467 -11.224 1.00 0.00 N ATOM 0 H HIS A 29 0.884 -2.101 -9.937 1.00 0.00 H new ATOM 0 HA HIS A 29 1.010 -4.075 -11.874 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.785 -2.545 -11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.998 -2.721 -10.060 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.525 -3.742 -9.884 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.108 -6.864 -12.725 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.655 -5.808 -11.002 1.00 0.00 H new ATOM 449 N TYR A 30 1.682 -5.204 -8.842 1.00 0.00 N ATOM 450 CA TYR A 30 1.794 -6.418 -8.042 1.00 0.00 C ATOM 451 C TYR A 30 0.467 -7.169 -8.004 1.00 0.00 C ATOM 452 O TYR A 30 0.411 -8.337 -7.615 1.00 0.00 O ATOM 453 CB TYR A 30 2.241 -6.078 -6.620 1.00 0.00 C ATOM 454 CG TYR A 30 3.651 -5.537 -6.541 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.747 -6.382 -6.657 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.886 -4.181 -6.349 1.00 0.00 C ATOM 457 CE1 TYR A 30 6.037 -5.893 -6.585 1.00 0.00 C ATOM 458 CE2 TYR A 30 5.173 -3.683 -6.278 1.00 0.00 C ATOM 459 CZ TYR A 30 6.245 -4.543 -6.396 1.00 0.00 C ATOM 460 OH TYR A 30 7.528 -4.050 -6.324 1.00 0.00 O ATOM 0 H TYR A 30 1.758 -4.339 -8.307 1.00 0.00 H new ATOM 0 HA TYR A 30 2.542 -7.061 -8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.555 -5.343 -6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.169 -6.973 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.588 -7.440 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.049 -3.505 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.878 -6.564 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.339 -2.626 -6.131 1.00 0.00 H new ATOM 0 HH TYR A 30 7.499 -3.080 -6.190 1.00 0.00 H new ATOM 470 N LEU A 31 -0.601 -6.492 -8.411 1.00 0.00 N ATOM 471 CA LEU A 31 -1.930 -7.094 -8.425 1.00 0.00 C ATOM 472 C LEU A 31 -2.202 -7.780 -9.760 1.00 0.00 C ATOM 473 O LEU A 31 -2.489 -8.976 -9.807 1.00 0.00 O ATOM 474 CB LEU A 31 -2.996 -6.030 -8.159 1.00 0.00 C ATOM 475 CG LEU A 31 -3.251 -5.688 -6.691 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.306 -4.599 -6.571 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.676 -6.930 -5.920 1.00 0.00 C ATOM 0 H LEU A 31 -0.573 -5.526 -8.736 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.971 -7.845 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.707 -5.117 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.934 -6.366 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.322 -5.315 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.474 -4.369 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.964 -3.702 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.237 -4.944 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.853 -6.668 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.592 -7.332 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.888 -7.681 -5.976 1.00 0.00 H new ATOM 489 N ALA A 32 -2.109 -7.016 -10.843 1.00 0.00 N ATOM 490 CA ALA A 32 -2.341 -7.551 -12.178 1.00 0.00 C ATOM 491 C ALA A 32 -1.369 -8.684 -12.492 1.00 0.00 C ATOM 492 O ALA A 32 -1.630 -9.518 -13.360 1.00 0.00 O ATOM 493 CB ALA A 32 -2.221 -6.447 -13.218 1.00 0.00 C ATOM 0 H ALA A 32 -1.874 -6.024 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.353 -7.956 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.397 -6.862 -14.211 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.959 -5.672 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.221 -6.016 -13.177 1.00 0.00 H new ATOM 499 N LYS A 33 -0.247 -8.708 -11.782 1.00 0.00 N ATOM 500 CA LYS A 33 0.765 -9.739 -11.983 1.00 0.00 C ATOM 501 C LYS A 33 0.365 -11.037 -11.291 1.00 0.00 C ATOM 502 O LYS A 33 0.569 -12.126 -11.826 1.00 0.00 O ATOM 503 CB LYS A 33 2.120 -9.263 -11.455 1.00 0.00 C ATOM 504 CG LYS A 33 2.322 -9.529 -9.973 1.00 0.00 C ATOM 505 CD LYS A 33 3.684 -9.048 -9.501 1.00 0.00 C ATOM 506 CE LYS A 33 4.796 -9.973 -9.972 1.00 0.00 C ATOM 507 NZ LYS A 33 5.976 -9.929 -9.065 1.00 0.00 N ATOM 0 H LYS A 33 -0.015 -8.025 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 33 0.846 -9.929 -13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.913 -9.757 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.218 -8.193 -11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.540 -9.028 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.224 -10.597 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.865 -8.040 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.694 -8.991 -8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.419 -10.994 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.102 -9.690 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.711 -10.573 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.352 -8.960 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.690 -10.224 -8.109 1.00 0.00 H new ATOM 521 N SER A 34 -0.208 -10.914 -10.098 1.00 0.00 N ATOM 522 CA SER A 34 -0.635 -12.078 -9.331 1.00 0.00 C ATOM 523 C SER A 34 -1.990 -12.584 -9.819 1.00 0.00 C ATOM 524 O SER A 34 -2.539 -13.541 -9.277 1.00 0.00 O ATOM 525 CB SER A 34 -0.713 -11.734 -7.842 1.00 0.00 C ATOM 526 OG SER A 34 0.531 -11.957 -7.201 1.00 0.00 O ATOM 0 H SER A 34 -0.387 -10.020 -9.642 1.00 0.00 H new ATOM 0 HA SER A 34 0.102 -12.868 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.006 -10.691 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.485 -12.339 -7.366 1.00 0.00 H new ATOM 0 HG SER A 34 0.377 -12.200 -6.264 1.00 0.00 H new ATOM 532 N GLY A 35 -2.522 -11.931 -10.848 1.00 0.00 N ATOM 533 CA GLY A 35 -3.807 -12.327 -11.393 1.00 0.00 C ATOM 534 C GLY A 35 -4.971 -11.791 -10.583 1.00 0.00 C ATOM 535 O GLY A 35 -5.722 -12.557 -9.978 1.00 0.00 O ATOM 0 H GLY A 35 -2.086 -11.135 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.888 -11.970 -12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.863 -13.415 -11.428 1.00 0.00 H new ATOM 539 N HIS A 36 -5.121 -10.470 -10.569 1.00 0.00 N ATOM 540 CA HIS A 36 -6.202 -9.831 -9.826 1.00 0.00 C ATOM 541 C HIS A 36 -7.141 -9.084 -10.767 1.00 0.00 C ATOM 542 O HIS A 36 -6.721 -8.581 -11.810 1.00 0.00 O ATOM 543 CB HIS A 36 -5.632 -8.868 -8.784 1.00 0.00 C ATOM 544 CG HIS A 36 -5.378 -9.507 -7.453 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.148 -9.254 -6.337 1.00 0.00 N ATOM 546 CD2 HIS A 36 -4.434 -10.395 -7.063 1.00 0.00 C ATOM 547 CE1 HIS A 36 -5.687 -9.957 -5.318 1.00 0.00 C ATOM 548 NE2 HIS A 36 -4.647 -10.659 -5.732 1.00 0.00 N ATOM 0 H HIS A 36 -4.508 -9.822 -11.063 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.771 -10.610 -9.318 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.699 -8.449 -9.161 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.325 -8.037 -8.652 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.657 -10.818 -7.683 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.091 -9.958 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.093 -11.293 -5.157 1.00 0.00 H new ATOM 557 N LYS A 37 -8.414 -9.016 -10.394 1.00 0.00 N ATOM 558 CA LYS A 37 -9.414 -8.329 -11.203 1.00 0.00 C ATOM 559 C LYS A 37 -9.800 -6.994 -10.575 1.00 0.00 C ATOM 560 O LYS A 37 -10.364 -6.125 -11.240 1.00 0.00 O ATOM 561 CB LYS A 37 -10.657 -9.207 -11.367 1.00 0.00 C ATOM 562 CG LYS A 37 -11.350 -9.530 -10.055 1.00 0.00 C ATOM 563 CD LYS A 37 -12.208 -10.779 -10.170 1.00 0.00 C ATOM 564 CE LYS A 37 -12.295 -11.519 -8.844 1.00 0.00 C ATOM 565 NZ LYS A 37 -13.444 -11.051 -8.021 1.00 0.00 N ATOM 0 H LYS A 37 -8.778 -9.429 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.981 -8.136 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.363 -8.703 -12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.372 -10.138 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.604 -9.671 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.972 -8.687 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.210 -10.505 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.791 -11.440 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.394 -12.588 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.368 -11.377 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.468 -11.580 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.337 -10.036 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.331 -11.210 -8.541 1.00 0.00 H new ATOM 579 N ARG A 38 -9.491 -6.838 -9.292 1.00 0.00 N ATOM 580 CA ARG A 38 -9.806 -5.608 -8.575 1.00 0.00 C ATOM 581 C ARG A 38 -8.567 -4.729 -8.434 1.00 0.00 C ATOM 582 O ARG A 38 -7.513 -5.189 -7.992 1.00 0.00 O ATOM 583 CB ARG A 38 -10.376 -5.931 -7.192 1.00 0.00 C ATOM 584 CG ARG A 38 -10.890 -4.711 -6.445 1.00 0.00 C ATOM 585 CD ARG A 38 -11.124 -5.016 -4.974 1.00 0.00 C ATOM 586 NE ARG A 38 -12.392 -5.705 -4.753 1.00 0.00 N ATOM 587 CZ ARG A 38 -12.539 -7.022 -4.847 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.502 -7.787 -5.157 1.00 0.00 N ATOM 589 NH2 ARG A 38 -13.725 -7.576 -4.632 1.00 0.00 N ATOM 0 H ARG A 38 -9.023 -7.547 -8.728 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.554 -5.062 -9.150 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.189 -6.648 -7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.603 -6.414 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.172 -3.896 -6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.820 -4.370 -6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.307 -5.631 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.112 -4.087 -4.405 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.210 -5.145 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.589 -7.365 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.617 -8.798 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.526 -6.991 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.836 -8.587 -4.705 1.00 0.00 H new ATOM 603 N LEU A 39 -8.701 -3.463 -8.812 1.00 0.00 N ATOM 604 CA LEU A 39 -7.592 -2.518 -8.728 1.00 0.00 C ATOM 605 C LEU A 39 -7.834 -1.490 -7.627 1.00 0.00 C ATOM 606 O LEU A 39 -8.922 -1.424 -7.055 1.00 0.00 O ATOM 607 CB LEU A 39 -7.399 -1.809 -10.070 1.00 0.00 C ATOM 608 CG LEU A 39 -6.822 -2.660 -11.202 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.829 -1.884 -12.510 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.412 -3.119 -10.859 1.00 0.00 C ATOM 0 H LEU A 39 -9.566 -3.067 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.688 -3.077 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.363 -1.416 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.742 -0.953 -9.915 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.450 -3.543 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.415 -2.505 -13.304 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.852 -1.606 -12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.225 -0.983 -12.402 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.017 -3.723 -11.676 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.773 -2.249 -10.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.435 -3.714 -9.946 1.00 0.00 H new ATOM 622 N ILE A 40 -6.814 -0.690 -7.338 1.00 0.00 N ATOM 623 CA ILE A 40 -6.918 0.337 -6.308 1.00 0.00 C ATOM 624 C ILE A 40 -7.376 1.665 -6.900 1.00 0.00 C ATOM 625 O ILE A 40 -6.637 2.313 -7.642 1.00 0.00 O ATOM 626 CB ILE A 40 -5.574 0.546 -5.585 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.144 -0.742 -4.879 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.681 1.692 -4.590 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.745 -0.679 -4.307 1.00 0.00 C ATOM 0 H ILE A 40 -5.907 -0.733 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.659 -0.011 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.816 0.803 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.847 -0.958 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.202 -1.571 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.724 1.828 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.947 2.608 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.449 1.462 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.507 -1.626 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.032 -0.494 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.687 0.128 -3.577 1.00 0.00 H new ATOM 641 N ARG A 41 -8.598 2.066 -6.566 1.00 0.00 N ATOM 642 CA ARG A 41 -9.155 3.318 -7.064 1.00 0.00 C ATOM 643 C ARG A 41 -8.784 4.480 -6.148 1.00 0.00 C ATOM 644 O ARG A 41 -8.176 5.458 -6.584 1.00 0.00 O ATOM 645 CB ARG A 41 -10.676 3.213 -7.182 1.00 0.00 C ATOM 646 CG ARG A 41 -11.149 2.704 -8.534 1.00 0.00 C ATOM 647 CD ARG A 41 -12.532 3.235 -8.877 1.00 0.00 C ATOM 648 NE ARG A 41 -12.481 4.601 -9.391 1.00 0.00 N ATOM 649 CZ ARG A 41 -13.544 5.255 -9.847 1.00 0.00 C ATOM 650 NH1 ARG A 41 -14.734 4.670 -9.853 1.00 0.00 N ATOM 651 NH2 ARG A 41 -13.418 6.496 -10.298 1.00 0.00 N ATOM 0 H ARG A 41 -9.222 1.542 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.733 3.507 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.047 2.547 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.115 4.194 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.441 3.006 -9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.168 1.614 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.996 2.585 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.163 3.205 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.580 5.079 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.835 3.716 -9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.548 5.174 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.504 6.949 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.235 6.997 -10.648 1.00 0.00 H new ATOM 665 N ASP A 42 -9.154 4.366 -4.877 1.00 0.00 N ATOM 666 CA ASP A 42 -8.860 5.407 -3.899 1.00 0.00 C ATOM 667 C ASP A 42 -7.894 4.895 -2.835 1.00 0.00 C ATOM 668 O ASP A 42 -8.296 4.202 -1.899 1.00 0.00 O ATOM 669 CB ASP A 42 -10.151 5.898 -3.241 1.00 0.00 C ATOM 670 CG ASP A 42 -11.065 6.608 -4.219 1.00 0.00 C ATOM 671 OD1 ASP A 42 -11.085 6.217 -5.405 1.00 0.00 O ATOM 672 OD2 ASP A 42 -11.762 7.555 -3.799 1.00 0.00 O ATOM 0 H ASP A 42 -9.658 3.563 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.389 6.240 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.679 5.050 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.904 6.574 -2.423 1.00 0.00 H new ATOM 677 N LEU A 43 -6.620 5.241 -2.984 1.00 0.00 N ATOM 678 CA LEU A 43 -5.596 4.815 -2.036 1.00 0.00 C ATOM 679 C LEU A 43 -6.025 5.111 -0.602 1.00 0.00 C ATOM 680 O LEU A 43 -5.522 4.505 0.343 1.00 0.00 O ATOM 681 CB LEU A 43 -4.271 5.516 -2.338 1.00 0.00 C ATOM 682 CG LEU A 43 -3.009 4.809 -1.841 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.780 3.520 -2.614 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.801 5.727 -1.960 1.00 0.00 C ATOM 0 H LEU A 43 -6.271 5.815 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.463 3.738 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.189 5.646 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.302 6.513 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.147 4.558 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.878 3.031 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.634 2.857 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.664 3.747 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.912 5.207 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.660 6.010 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.964 6.622 -1.360 1.00 0.00 H new ATOM 696 N GLN A 44 -6.958 6.045 -0.450 1.00 0.00 N ATOM 697 CA GLN A 44 -7.456 6.420 0.869 1.00 0.00 C ATOM 698 C GLN A 44 -8.567 5.477 1.320 1.00 0.00 C ATOM 699 O GLN A 44 -8.758 5.256 2.515 1.00 0.00 O ATOM 700 CB GLN A 44 -7.968 7.861 0.854 1.00 0.00 C ATOM 701 CG GLN A 44 -6.868 8.899 1.007 1.00 0.00 C ATOM 702 CD GLN A 44 -7.254 10.247 0.431 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.729 10.338 -0.702 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.052 11.304 1.209 1.00 0.00 N ATOM 0 H GLN A 44 -7.384 6.556 -1.223 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.630 6.343 1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.497 8.040 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.692 7.989 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.628 9.015 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.965 8.542 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.656 11.183 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.293 12.237 0.874 1.00 0.00 H new ATOM 713 N GLN A 45 -9.296 4.925 0.355 1.00 0.00 N ATOM 714 CA GLN A 45 -10.388 4.007 0.653 1.00 0.00 C ATOM 715 C GLN A 45 -10.032 2.584 0.238 1.00 0.00 C ATOM 716 O GLN A 45 -10.880 1.691 0.258 1.00 0.00 O ATOM 717 CB GLN A 45 -11.667 4.454 -0.058 1.00 0.00 C ATOM 718 CG GLN A 45 -12.104 5.864 0.306 1.00 0.00 C ATOM 719 CD GLN A 45 -13.442 6.236 -0.304 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.305 5.380 -0.503 1.00 0.00 O ATOM 721 NE2 GLN A 45 -13.621 7.517 -0.603 1.00 0.00 N ATOM 0 H GLN A 45 -9.150 5.098 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.556 4.020 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.513 4.397 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.470 3.759 0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.166 5.952 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.347 6.573 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.878 8.192 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.501 7.826 -1.015 1.00 0.00 H new ATOM 730 N ASP A 46 -8.775 2.379 -0.137 1.00 0.00 N ATOM 731 CA ASP A 46 -8.306 1.064 -0.557 1.00 0.00 C ATOM 732 C ASP A 46 -7.662 0.319 0.608 1.00 0.00 C ATOM 733 O ASP A 46 -7.774 -0.902 0.716 1.00 0.00 O ATOM 734 CB ASP A 46 -7.308 1.197 -1.708 1.00 0.00 C ATOM 735 CG ASP A 46 -5.875 1.298 -1.222 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.564 2.260 -0.489 1.00 0.00 O ATOM 737 OD2 ASP A 46 -5.065 0.416 -1.576 1.00 0.00 O ATOM 0 H ASP A 46 -8.061 3.107 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.168 0.491 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.404 0.337 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.552 2.081 -2.297 1.00 0.00 H new ATOM 742 N VAL A 47 -6.986 1.063 1.478 1.00 0.00 N ATOM 743 CA VAL A 47 -6.323 0.474 2.635 1.00 0.00 C ATOM 744 C VAL A 47 -7.140 0.688 3.904 1.00 0.00 C ATOM 745 O VAL A 47 -6.592 0.772 5.003 1.00 0.00 O ATOM 746 CB VAL A 47 -4.916 1.067 2.838 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.037 0.781 1.630 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.001 2.562 3.104 1.00 0.00 C ATOM 0 H VAL A 47 -6.883 2.075 1.403 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.234 -0.595 2.439 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.463 0.592 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.047 1.207 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.950 -0.297 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.484 1.227 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.998 2.964 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.474 3.056 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.592 2.739 4.003 1.00 0.00 H new ATOM 758 N THR A 48 -8.458 0.774 3.746 1.00 0.00 N ATOM 759 CA THR A 48 -9.352 0.979 4.878 1.00 0.00 C ATOM 760 C THR A 48 -9.676 -0.341 5.568 1.00 0.00 C ATOM 761 O THR A 48 -9.866 -0.387 6.784 1.00 0.00 O ATOM 762 CB THR A 48 -10.667 1.653 4.441 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.142 1.058 3.229 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.466 3.146 4.235 1.00 0.00 C ATOM 0 H THR A 48 -8.929 0.705 2.844 1.00 0.00 H new ATOM 0 HA THR A 48 -8.832 1.634 5.577 1.00 0.00 H new ATOM 0 HB THR A 48 -11.405 1.508 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.172 0.084 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.407 3.601 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.132 3.600 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.714 3.309 3.462 1.00 0.00 H new ATOM 772 N ASP A 49 -9.736 -1.413 4.786 1.00 0.00 N ATOM 773 CA ASP A 49 -10.035 -2.736 5.323 1.00 0.00 C ATOM 774 C ASP A 49 -8.753 -3.527 5.563 1.00 0.00 C ATOM 775 O ASP A 49 -8.755 -4.529 6.277 1.00 0.00 O ATOM 776 CB ASP A 49 -10.951 -3.502 4.368 1.00 0.00 C ATOM 777 CG ASP A 49 -10.722 -3.124 2.918 1.00 0.00 C ATOM 778 OD1 ASP A 49 -11.195 -2.044 2.504 1.00 0.00 O ATOM 779 OD2 ASP A 49 -10.069 -3.906 2.196 1.00 0.00 O ATOM 0 H ASP A 49 -9.582 -1.392 3.778 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.545 -2.607 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.786 -4.572 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.991 -3.307 4.631 1.00 0.00 H new ATOM 784 N GLY A 50 -7.659 -3.070 4.961 1.00 0.00 N ATOM 785 CA GLY A 50 -6.386 -3.748 5.120 1.00 0.00 C ATOM 786 C GLY A 50 -6.280 -4.993 4.262 1.00 0.00 C ATOM 787 O GLY A 50 -5.204 -5.577 4.132 1.00 0.00 O ATOM 0 H GLY A 50 -7.632 -2.242 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.578 -3.063 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.251 -4.020 6.167 1.00 0.00 H new ATOM 791 N VAL A 51 -7.401 -5.402 3.675 1.00 0.00 N ATOM 792 CA VAL A 51 -7.430 -6.586 2.825 1.00 0.00 C ATOM 793 C VAL A 51 -6.663 -6.352 1.529 1.00 0.00 C ATOM 794 O VAL A 51 -5.585 -6.912 1.321 1.00 0.00 O ATOM 795 CB VAL A 51 -8.875 -6.998 2.486 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.888 -8.293 1.687 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.701 -7.138 3.756 1.00 0.00 C ATOM 0 H VAL A 51 -8.300 -4.931 3.773 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.953 -7.389 3.386 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.323 -6.216 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.917 -8.568 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.333 -8.154 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.423 -9.086 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.719 -7.430 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.257 -7.900 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.720 -6.185 4.285 1.00 0.00 H new ATOM 807 N LEU A 52 -7.223 -5.519 0.658 1.00 0.00 N ATOM 808 CA LEU A 52 -6.591 -5.208 -0.619 1.00 0.00 C ATOM 809 C LEU A 52 -5.145 -4.768 -0.419 1.00 0.00 C ATOM 810 O LEU A 52 -4.289 -5.000 -1.274 1.00 0.00 O ATOM 811 CB LEU A 52 -7.374 -4.113 -1.345 1.00 0.00 C ATOM 812 CG LEU A 52 -7.323 -4.150 -2.872 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.178 -3.040 -3.463 1.00 0.00 C ATOM 814 CD2 LEU A 52 -5.886 -4.036 -3.361 1.00 0.00 C ATOM 0 H LEU A 52 -8.114 -5.047 0.813 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.595 -6.112 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.417 -4.174 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.999 -3.145 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.725 -5.107 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.129 -3.083 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.212 -3.166 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.807 -2.074 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.869 -4.064 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.458 -3.095 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.301 -4.867 -2.967 1.00 0.00 H new ATOM 826 N LEU A 53 -4.877 -4.133 0.717 1.00 0.00 N ATOM 827 CA LEU A 53 -3.533 -3.661 1.032 1.00 0.00 C ATOM 828 C LEU A 53 -2.556 -4.828 1.129 1.00 0.00 C ATOM 829 O LEU A 53 -1.491 -4.812 0.514 1.00 0.00 O ATOM 830 CB LEU A 53 -3.541 -2.877 2.345 1.00 0.00 C ATOM 831 CG LEU A 53 -2.230 -2.871 3.131 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.080 -2.411 2.249 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.350 -1.983 4.362 1.00 0.00 C ATOM 0 H LEU A 53 -5.573 -3.933 1.435 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.207 -3.004 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.815 -1.845 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.323 -3.286 2.985 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.022 -3.889 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.155 -2.413 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.980 -3.087 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.280 -1.402 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.407 -1.991 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.582 -0.964 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.146 -2.358 5.005 1.00 0.00 H new ATOM 845 N ALA A 54 -2.927 -5.841 1.906 1.00 0.00 N ATOM 846 CA ALA A 54 -2.086 -7.018 2.080 1.00 0.00 C ATOM 847 C ALA A 54 -1.855 -7.730 0.752 1.00 0.00 C ATOM 848 O ALA A 54 -0.728 -8.102 0.425 1.00 0.00 O ATOM 849 CB ALA A 54 -2.712 -7.970 3.089 1.00 0.00 C ATOM 0 H ALA A 54 -3.805 -5.869 2.425 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.118 -6.689 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.073 -8.845 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.819 -7.464 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.693 -8.284 2.733 1.00 0.00 H new ATOM 855 N GLN A 55 -2.928 -7.916 -0.009 1.00 0.00 N ATOM 856 CA GLN A 55 -2.842 -8.585 -1.302 1.00 0.00 C ATOM 857 C GLN A 55 -1.578 -8.168 -2.047 1.00 0.00 C ATOM 858 O GLN A 55 -0.924 -8.991 -2.689 1.00 0.00 O ATOM 859 CB GLN A 55 -4.075 -8.266 -2.148 1.00 0.00 C ATOM 860 CG GLN A 55 -5.389 -8.528 -1.431 1.00 0.00 C ATOM 861 CD GLN A 55 -6.570 -8.588 -2.380 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.438 -9.453 -2.255 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.610 -7.668 -3.336 1.00 0.00 N ATOM 0 H GLN A 55 -3.868 -7.613 0.247 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.800 -9.660 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.038 -7.219 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.043 -8.862 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.319 -9.468 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.559 -7.743 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.870 -6.970 -3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.381 -7.659 -4.004 1.00 0.00 H new ATOM 872 N ILE A 56 -1.239 -6.886 -1.956 1.00 0.00 N ATOM 873 CA ILE A 56 -0.053 -6.361 -2.621 1.00 0.00 C ATOM 874 C ILE A 56 1.211 -6.704 -1.842 1.00 0.00 C ATOM 875 O ILE A 56 2.172 -7.234 -2.400 1.00 0.00 O ATOM 876 CB ILE A 56 -0.136 -4.833 -2.796 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.176 -4.475 -3.860 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.227 -4.268 -3.168 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.569 -4.285 -3.303 1.00 0.00 C ATOM 0 H ILE A 56 -1.769 -6.192 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.009 -6.829 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.445 -4.390 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.867 -3.560 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.199 -5.262 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.152 -3.187 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.943 -4.497 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.563 -4.715 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.254 -4.033 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.898 -5.207 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.561 -3.478 -2.571 1.00 0.00 H new ATOM 891 N ILE A 57 1.203 -6.401 -0.548 1.00 0.00 N ATOM 892 CA ILE A 57 2.349 -6.680 0.309 1.00 0.00 C ATOM 893 C ILE A 57 2.810 -8.126 0.156 1.00 0.00 C ATOM 894 O ILE A 57 3.983 -8.387 -0.109 1.00 0.00 O ATOM 895 CB ILE A 57 2.022 -6.412 1.790 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.505 -4.983 1.970 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.251 -6.649 2.655 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.211 -4.624 3.410 1.00 0.00 C ATOM 0 H ILE A 57 0.416 -5.962 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 57 3.149 -6.010 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 57 1.241 -7.104 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.243 -4.286 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.597 -4.856 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.004 -6.456 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.579 -7.683 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.051 -5.979 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.849 -3.597 3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.451 -5.298 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.122 -4.718 4.002 1.00 0.00 H new ATOM 910 N GLN A 58 1.879 -9.059 0.321 1.00 0.00 N ATOM 911 CA GLN A 58 2.191 -10.478 0.200 1.00 0.00 C ATOM 912 C GLN A 58 2.840 -10.780 -1.147 1.00 0.00 C ATOM 913 O GLN A 58 3.455 -11.830 -1.330 1.00 0.00 O ATOM 914 CB GLN A 58 0.923 -11.317 0.368 1.00 0.00 C ATOM 915 CG GLN A 58 0.327 -11.245 1.765 1.00 0.00 C ATOM 916 CD GLN A 58 -1.021 -11.932 1.860 1.00 0.00 C ATOM 917 OE1 GLN A 58 -1.990 -11.358 2.358 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.091 -13.169 1.382 1.00 0.00 N ATOM 0 H GLN A 58 0.903 -8.858 0.539 1.00 0.00 H new ATOM 0 HA GLN A 58 2.897 -10.737 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.178 -10.983 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.151 -12.356 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.016 -11.705 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.220 -10.200 2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.263 -13.607 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.972 -13.681 1.419 1.00 0.00 H new ATOM 927 N VAL A 59 2.697 -9.852 -2.088 1.00 0.00 N ATOM 928 CA VAL A 59 3.269 -10.018 -3.419 1.00 0.00 C ATOM 929 C VAL A 59 4.651 -9.382 -3.506 1.00 0.00 C ATOM 930 O VAL A 59 5.640 -10.055 -3.799 1.00 0.00 O ATOM 931 CB VAL A 59 2.363 -9.401 -4.500 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.898 -9.716 -5.889 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.934 -9.898 -4.345 1.00 0.00 C ATOM 0 H VAL A 59 2.190 -8.977 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 59 3.354 -11.090 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 59 2.362 -8.318 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.245 -9.272 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.902 -9.306 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.931 -10.796 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.308 -9.452 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.914 -10.983 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.555 -9.616 -3.363 1.00 0.00 H new ATOM 943 N VAL A 60 4.715 -8.079 -3.248 1.00 0.00 N ATOM 944 CA VAL A 60 5.977 -7.351 -3.295 1.00 0.00 C ATOM 945 C VAL A 60 6.979 -7.922 -2.298 1.00 0.00 C ATOM 946 O VAL A 60 8.189 -7.785 -2.471 1.00 0.00 O ATOM 947 CB VAL A 60 5.772 -5.853 -3.000 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.124 -5.661 -1.637 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.096 -5.109 -3.080 1.00 0.00 C ATOM 0 H VAL A 60 3.907 -7.506 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 60 6.370 -7.464 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 60 5.103 -5.440 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.987 -4.597 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.155 -6.160 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.765 -6.089 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.933 -4.052 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.790 -5.522 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.515 -5.219 -4.080 1.00 0.00 H new ATOM 959 N ALA A 61 6.465 -8.564 -1.254 1.00 0.00 N ATOM 960 CA ALA A 61 7.315 -9.158 -0.229 1.00 0.00 C ATOM 961 C ALA A 61 7.462 -10.661 -0.443 1.00 0.00 C ATOM 962 O ALA A 61 8.363 -11.290 0.110 1.00 0.00 O ATOM 963 CB ALA A 61 6.751 -8.873 1.155 1.00 0.00 C ATOM 0 H ALA A 61 5.465 -8.686 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 61 8.304 -8.707 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.396 -9.322 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.703 -7.796 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.750 -9.296 1.234 1.00 0.00 H new ATOM 969 N ASN A 62 6.571 -11.230 -1.248 1.00 0.00 N ATOM 970 CA ASN A 62 6.602 -12.660 -1.534 1.00 0.00 C ATOM 971 C ASN A 62 6.386 -13.473 -0.261 1.00 0.00 C ATOM 972 O ASN A 62 7.131 -14.411 0.021 1.00 0.00 O ATOM 973 CB ASN A 62 7.936 -13.044 -2.178 1.00 0.00 C ATOM 974 CG ASN A 62 8.067 -12.518 -3.594 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.273 -12.858 -4.471 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.074 -11.682 -3.824 1.00 0.00 N ATOM 0 H ASN A 62 5.819 -10.723 -1.714 1.00 0.00 H new ATOM 0 HA ASN A 62 5.793 -12.884 -2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.754 -12.655 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.033 -14.130 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.212 -11.295 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.708 -11.427 -3.067 1.00 0.00 H new ATOM 983 N GLU A 63 5.362 -13.107 0.502 1.00 0.00 N ATOM 984 CA GLU A 63 5.048 -13.803 1.745 1.00 0.00 C ATOM 985 C GLU A 63 3.555 -13.724 2.051 1.00 0.00 C ATOM 986 O GLU A 63 2.847 -12.863 1.528 1.00 0.00 O ATOM 987 CB GLU A 63 5.850 -13.209 2.904 1.00 0.00 C ATOM 988 CG GLU A 63 6.192 -14.217 3.988 1.00 0.00 C ATOM 989 CD GLU A 63 7.485 -14.959 3.707 1.00 0.00 C ATOM 990 OE1 GLU A 63 7.495 -15.808 2.791 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.486 -14.690 4.403 1.00 0.00 O ATOM 0 H GLU A 63 4.735 -12.333 0.282 1.00 0.00 H new ATOM 0 HA GLU A 63 5.321 -14.851 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.773 -12.781 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.281 -12.391 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.273 -13.702 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.378 -14.936 4.081 1.00 0.00 H new ATOM 998 N LYS A 64 3.083 -14.629 2.901 1.00 0.00 N ATOM 999 CA LYS A 64 1.675 -14.664 3.279 1.00 0.00 C ATOM 1000 C LYS A 64 1.493 -14.249 4.735 1.00 0.00 C ATOM 1001 O LYS A 64 2.264 -14.651 5.606 1.00 0.00 O ATOM 1002 CB LYS A 64 1.102 -16.066 3.061 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.319 -16.228 3.572 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.631 -17.678 3.904 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.619 -17.786 5.055 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.229 -19.142 5.137 1.00 0.00 N ATOM 0 H LYS A 64 3.655 -15.349 3.342 1.00 0.00 H new ATOM 0 HA LYS A 64 1.137 -13.957 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.125 -16.297 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.743 -16.793 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.459 -15.612 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.020 -15.867 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.040 -18.174 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.290 -18.199 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.111 -17.559 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.405 -17.041 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.896 -19.175 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.736 -19.349 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.482 -19.851 5.282 1.00 0.00 H new ATOM 1020 N ILE A 65 0.467 -13.444 4.992 1.00 0.00 N ATOM 1021 CA ILE A 65 0.182 -12.977 6.343 1.00 0.00 C ATOM 1022 C ILE A 65 -0.952 -13.778 6.974 1.00 0.00 C ATOM 1023 O ILE A 65 -2.091 -13.730 6.511 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.191 -11.483 6.356 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.799 -10.681 5.509 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.222 -10.957 7.783 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.344 -9.266 5.226 1.00 0.00 C ATOM 0 H ILE A 65 -0.181 -13.102 4.282 1.00 0.00 H new ATOM 0 HA ILE A 65 1.093 -13.121 6.925 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.186 -11.368 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.761 -10.649 6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.959 -11.199 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.487 -9.900 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.962 -11.512 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.761 -11.081 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.094 -8.757 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.603 -9.289 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.212 -8.731 6.167 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.632 -14.514 8.034 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.625 -15.324 8.729 1.00 0.00 C ATOM 1041 C GLU A 66 -2.489 -14.461 9.644 1.00 0.00 C ATOM 1042 O GLU A 66 -3.616 -14.826 9.978 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.939 -16.422 9.545 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.174 -17.423 8.695 1.00 0.00 C ATOM 1045 CD GLU A 66 0.381 -18.576 9.510 1.00 0.00 C ATOM 1046 OE1 GLU A 66 1.430 -18.391 10.161 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -0.234 -19.663 9.496 1.00 0.00 O ATOM 0 H GLU A 66 0.307 -14.566 8.430 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.268 -15.785 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.252 -15.961 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.691 -16.953 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.833 -17.815 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.646 -16.913 8.189 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.952 -13.314 10.045 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.673 -12.397 10.921 1.00 0.00 C ATOM 1056 C ASP A 67 -3.632 -11.523 10.120 1.00 0.00 C ATOM 1057 O ASP A 67 -3.757 -10.325 10.377 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.689 -11.519 11.696 1.00 0.00 C ATOM 1059 CG ASP A 67 -2.235 -11.088 13.043 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -2.352 -11.950 13.939 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -2.548 -9.889 13.201 1.00 0.00 O ATOM 0 H ASP A 67 -1.020 -12.997 9.778 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.254 -12.989 11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.757 -12.065 11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.451 -10.635 11.104 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.307 -12.129 9.149 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.255 -11.405 8.311 1.00 0.00 C ATOM 1068 C ILE A 68 -6.665 -11.964 8.467 1.00 0.00 C ATOM 1069 O ILE A 68 -6.954 -13.077 8.030 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.853 -11.465 6.825 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.455 -10.875 6.628 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.871 -10.725 5.971 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.384 -9.388 6.893 1.00 0.00 C ATOM 0 H ILE A 68 -4.215 -13.119 8.923 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.239 -10.367 8.642 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.834 -12.509 6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.757 -11.387 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.128 -11.070 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.573 -10.776 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.851 -11.186 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.919 -9.682 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.364 -9.038 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.057 -8.865 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.680 -9.187 7.923 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.539 -11.182 9.092 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.921 -11.599 9.305 1.00 0.00 C ATOM 1087 C ASN A 69 -9.542 -12.108 8.008 1.00 0.00 C ATOM 1088 O ASN A 69 -9.827 -13.296 7.869 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.747 -10.435 9.857 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.126 -10.869 10.313 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.317 -12.002 10.757 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -12.096 -9.969 10.204 1.00 0.00 N ATOM 0 H ASN A 69 -7.316 -10.257 9.460 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.921 -12.413 10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.216 -9.982 10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.846 -9.667 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.045 -10.205 10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.892 -9.042 9.830 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.748 -11.199 7.060 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.333 -11.575 5.787 1.00 0.00 C ATOM 1101 C GLY A 70 -11.460 -10.650 5.371 1.00 0.00 C ATOM 1102 O GLY A 70 -11.313 -9.863 4.435 1.00 0.00 O ATOM 0 H GLY A 70 -9.520 -10.209 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.559 -11.568 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.710 -12.596 5.851 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.588 -10.745 6.066 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.746 -9.912 5.762 1.00 0.00 C ATOM 1108 C CYS A 71 -14.252 -9.206 7.016 1.00 0.00 C ATOM 1109 O CYS A 71 -15.207 -9.642 7.660 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.864 -10.758 5.151 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.418 -11.555 3.591 1.00 0.00 S ATOM 0 H CYS A 71 -12.725 -11.390 6.844 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.439 -9.155 5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -15.158 -11.525 5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.736 -10.125 4.987 1.00 0.00 H new ATOM 0 HG CYS A 71 -15.427 -12.249 3.154 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.599 -8.091 7.372 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.964 -7.302 8.552 1.00 0.00 C ATOM 1119 C PRO A 72 -15.297 -6.583 8.378 1.00 0.00 C ATOM 1120 O PRO A 72 -15.613 -6.092 7.294 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.822 -6.290 8.671 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.285 -6.161 7.287 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.452 -7.513 6.651 1.00 0.00 C ATOM 0 HA PRO A 72 -14.091 -7.927 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.180 -5.332 9.048 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.055 -6.638 9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.826 -5.397 6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.237 -5.863 7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.649 -7.432 5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.557 -8.124 6.765 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.077 -6.523 9.453 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.376 -5.861 9.420 1.00 0.00 C ATOM 1133 C LYS A 73 -17.466 -4.784 10.496 1.00 0.00 C ATOM 1134 O LYS A 73 -18.055 -3.726 10.281 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.498 -6.885 9.613 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.353 -7.714 10.877 1.00 0.00 C ATOM 1137 CD LYS A 73 -17.442 -8.911 10.658 1.00 0.00 C ATOM 1138 CE LYS A 73 -18.208 -10.098 10.094 1.00 0.00 C ATOM 1139 NZ LYS A 73 -19.220 -10.613 11.056 1.00 0.00 N ATOM 0 H LYS A 73 -15.832 -6.925 10.358 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.489 -5.386 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.455 -6.363 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.522 -7.552 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.952 -7.092 11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.335 -8.058 11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.638 -8.638 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.976 -9.193 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.703 -9.804 9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.508 -10.895 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.400 -11.619 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.863 -10.504 12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -20.105 -10.076 10.950 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.876 -5.062 11.655 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.889 -4.115 12.764 1.00 0.00 C ATOM 1155 C ASN A 74 -15.869 -3.003 12.542 1.00 0.00 C ATOM 1156 O ASN A 74 -15.169 -2.981 11.530 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.594 -4.837 14.081 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.850 -5.368 14.744 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.896 -5.493 14.106 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.753 -5.682 16.030 1.00 0.00 N ATOM 0 H ASN A 74 -16.384 -5.934 11.850 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.882 -3.668 12.816 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.909 -5.663 13.893 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.089 -4.152 14.762 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.566 -6.043 16.529 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.866 -5.562 16.519 1.00 0.00 H new ATOM 1167 N ARG A 75 -15.791 -2.080 13.496 1.00 0.00 N ATOM 1168 CA ARG A 75 -14.857 -0.964 13.404 1.00 0.00 C ATOM 1169 C ARG A 75 -13.420 -1.441 13.586 1.00 0.00 C ATOM 1170 O ARG A 75 -12.564 -1.204 12.733 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.192 0.096 14.456 1.00 0.00 C ATOM 1172 CG ARG A 75 -14.205 1.252 14.490 1.00 0.00 C ATOM 1173 CD ARG A 75 -13.025 0.951 15.401 1.00 0.00 C ATOM 1174 NE ARG A 75 -12.409 2.169 15.919 1.00 0.00 N ATOM 1175 CZ ARG A 75 -11.489 2.177 16.877 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -11.081 1.037 17.418 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -10.974 3.326 17.295 1.00 0.00 N ATOM 0 H ARG A 75 -16.363 -2.083 14.341 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.952 -0.524 12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.190 0.487 14.261 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.221 -0.375 15.438 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.845 1.454 13.481 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.711 2.154 14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.359 0.331 16.233 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.281 0.374 14.852 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.701 3.063 15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.474 0.152 17.099 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.374 1.046 18.154 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.285 4.205 16.881 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.268 3.331 18.031 1.00 0.00 H new ATOM 1191 N SER A 76 -13.162 -2.114 14.703 1.00 0.00 N ATOM 1192 CA SER A 76 -11.827 -2.620 14.999 1.00 0.00 C ATOM 1193 C SER A 76 -11.473 -3.787 14.082 1.00 0.00 C ATOM 1194 O SER A 76 -10.318 -3.953 13.690 1.00 0.00 O ATOM 1195 CB SER A 76 -11.739 -3.062 16.461 1.00 0.00 C ATOM 1196 OG SER A 76 -10.597 -3.872 16.682 1.00 0.00 O ATOM 0 H SER A 76 -13.860 -2.321 15.418 1.00 0.00 H new ATOM 0 HA SER A 76 -11.113 -1.814 14.826 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.697 -2.185 17.107 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.639 -3.615 16.732 1.00 0.00 H new ATOM 0 HG SER A 76 -10.563 -4.140 17.624 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.475 -4.591 13.743 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.270 -5.742 12.872 1.00 0.00 C ATOM 1204 C GLN A 77 -11.311 -5.401 11.737 1.00 0.00 C ATOM 1205 O GLN A 77 -10.498 -6.230 11.329 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.606 -6.221 12.301 1.00 0.00 C ATOM 1207 CG GLN A 77 -14.296 -7.267 13.162 1.00 0.00 C ATOM 1208 CD GLN A 77 -13.648 -8.633 13.051 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -14.069 -9.470 12.253 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -12.616 -8.866 13.855 1.00 0.00 N ATOM 0 H GLN A 77 -13.437 -4.467 14.058 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.830 -6.542 13.467 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.269 -5.364 12.183 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.439 -6.634 11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.279 -6.944 14.203 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -15.343 -7.341 12.868 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.300 -8.143 14.502 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.140 -9.768 13.825 1.00 0.00 H new ATOM 1219 N MET A 78 -11.412 -4.177 11.230 1.00 0.00 N ATOM 1220 CA MET A 78 -10.552 -3.727 10.142 1.00 0.00 C ATOM 1221 C MET A 78 -9.183 -3.308 10.668 1.00 0.00 C ATOM 1222 O MET A 78 -8.170 -3.473 9.988 1.00 0.00 O ATOM 1223 CB MET A 78 -11.204 -2.560 9.397 1.00 0.00 C ATOM 1224 CG MET A 78 -12.538 -2.915 8.761 1.00 0.00 C ATOM 1225 SD MET A 78 -13.413 -1.469 8.132 1.00 0.00 S ATOM 1226 CE MET A 78 -15.078 -1.808 8.698 1.00 0.00 C ATOM 0 H MET A 78 -12.081 -3.479 11.555 1.00 0.00 H new ATOM 0 HA MET A 78 -10.417 -4.560 9.452 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.351 -1.733 10.091 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.523 -2.209 8.622 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.372 -3.618 7.945 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.163 -3.422 9.496 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.793 -1.462 7.952 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.200 -2.881 8.847 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.255 -1.288 9.640 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.161 -2.766 11.881 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.916 -2.325 12.497 1.00 0.00 C ATOM 1238 C ILE A 79 -6.868 -3.433 12.475 1.00 0.00 C ATOM 1239 O ILE A 79 -5.715 -3.203 12.113 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.137 -1.874 13.953 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.074 -0.664 13.998 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.807 -1.545 14.614 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.447 0.605 13.463 1.00 0.00 C ATOM 0 H ILE A 79 -9.991 -2.622 12.456 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.558 -1.478 11.912 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.602 -2.691 14.504 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.971 -0.888 13.421 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.390 -0.497 15.028 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.980 -1.228 15.642 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.170 -2.429 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.316 -0.742 14.064 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.167 1.421 13.525 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.566 0.853 14.055 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.156 0.457 12.423 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.279 -4.637 12.861 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.376 -5.781 12.884 1.00 0.00 C ATOM 1257 C GLU A 80 -5.654 -5.931 11.548 1.00 0.00 C ATOM 1258 O GLU A 80 -4.432 -5.812 11.474 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.148 -7.062 13.206 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.240 -7.360 14.693 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.611 -8.802 14.978 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -8.582 -9.296 14.366 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -6.933 -9.438 15.811 1.00 0.00 O ATOM 0 H GLU A 80 -8.231 -4.845 13.162 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.632 -5.609 13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.155 -6.982 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.667 -7.902 12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.283 -7.135 15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.981 -6.702 15.146 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.421 -6.194 10.494 1.00 0.00 N ATOM 1271 CA ASN A 81 -5.856 -6.362 9.160 1.00 0.00 C ATOM 1272 C ASN A 81 -4.671 -5.423 8.950 1.00 0.00 C ATOM 1273 O ASN A 81 -3.520 -5.858 8.922 1.00 0.00 O ATOM 1274 CB ASN A 81 -6.923 -6.102 8.095 1.00 0.00 C ATOM 1275 CG ASN A 81 -7.892 -7.260 7.953 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -7.518 -8.346 7.510 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.145 -7.032 8.329 1.00 0.00 N ATOM 0 H ASN A 81 -7.435 -6.295 10.538 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.504 -7.389 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.476 -5.198 8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.438 -5.918 7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.842 -7.773 8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.410 -6.116 8.691 1.00 0.00 H new ATOM 1284 N ILE A 82 -4.963 -4.135 8.802 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.923 -3.136 8.596 1.00 0.00 C ATOM 1286 C ILE A 82 -2.802 -3.289 9.618 1.00 0.00 C ATOM 1287 O ILE A 82 -1.629 -3.091 9.304 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.490 -1.707 8.683 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.613 -1.517 7.661 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.386 -0.684 8.459 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.464 -0.293 7.919 1.00 0.00 C ATOM 0 H ILE A 82 -5.911 -3.759 8.821 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.523 -3.300 7.595 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.902 -1.556 9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.178 -1.443 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.251 -2.401 7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.803 0.321 8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.616 -0.807 9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.947 -0.832 7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.239 -0.222 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.928 -0.373 8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.838 0.599 7.885 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.172 -3.645 10.844 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.198 -3.829 11.913 1.00 0.00 C ATOM 1305 C ASP A 83 -1.205 -4.932 11.561 1.00 0.00 C ATOM 1306 O ASP A 83 0.007 -4.749 11.674 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.907 -4.164 13.226 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.144 -3.670 14.439 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.585 -2.556 14.375 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.106 -4.399 15.454 1.00 0.00 O ATOM 0 H ASP A 83 -4.139 -3.812 11.121 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.648 -2.896 12.034 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.903 -3.720 13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.040 -5.243 13.299 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.728 -6.077 11.135 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.887 -7.210 10.765 1.00 0.00 C ATOM 1317 C ALA A 84 0.153 -6.805 9.726 1.00 0.00 C ATOM 1318 O ALA A 84 1.318 -7.194 9.816 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.743 -8.353 10.241 1.00 0.00 C ATOM 0 H ALA A 84 -2.729 -6.245 11.037 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.359 -7.546 11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.103 -9.192 9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.443 -8.667 11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.297 -8.020 9.364 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.276 -6.024 8.740 1.00 0.00 N ATOM 1326 CA CYS A 85 0.619 -5.568 7.682 1.00 0.00 C ATOM 1327 C CYS A 85 1.745 -4.714 8.253 1.00 0.00 C ATOM 1328 O CYS A 85 2.890 -4.795 7.804 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.161 -4.772 6.635 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.541 -5.677 5.896 1.00 0.00 S ATOM 0 H CYS A 85 -1.237 -5.694 8.651 1.00 0.00 H new ATOM 0 HA CYS A 85 1.059 -6.446 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.543 -3.862 7.097 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.523 -4.465 5.844 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.459 -5.877 6.794 1.00 0.00 H new ATOM 1336 N LEU A 86 1.415 -3.894 9.245 1.00 0.00 N ATOM 1337 CA LEU A 86 2.398 -3.022 9.877 1.00 0.00 C ATOM 1338 C LEU A 86 3.439 -3.837 10.638 1.00 0.00 C ATOM 1339 O LEU A 86 4.641 -3.638 10.471 1.00 0.00 O ATOM 1340 CB LEU A 86 1.706 -2.043 10.827 1.00 0.00 C ATOM 1341 CG LEU A 86 0.713 -1.073 10.184 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.066 -0.321 11.252 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.437 -0.100 9.265 1.00 0.00 C ATOM 0 H LEU A 86 0.473 -3.815 9.629 1.00 0.00 H new ATOM 0 HA LEU A 86 2.905 -2.460 9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.180 -2.618 11.589 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.472 -1.461 11.339 1.00 0.00 H new ATOM 0 HG LEU A 86 0.007 -1.649 9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.767 0.364 10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.615 -1.031 11.870 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.626 0.244 11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.715 0.582 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.166 0.470 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.949 -0.655 8.479 1.00 0.00 H new ATOM 1355 N ASN A 87 2.967 -4.756 11.474 1.00 0.00 N ATOM 1356 CA ASN A 87 3.857 -5.603 12.260 1.00 0.00 C ATOM 1357 C ASN A 87 4.653 -6.541 11.358 1.00 0.00 C ATOM 1358 O ASN A 87 5.804 -6.869 11.647 1.00 0.00 O ATOM 1359 CB ASN A 87 3.054 -6.416 13.278 1.00 0.00 C ATOM 1360 CG ASN A 87 2.378 -5.539 14.314 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.020 -5.050 15.243 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.074 -5.337 14.158 1.00 0.00 N ATOM 0 H ASN A 87 1.974 -4.933 11.625 1.00 0.00 H new ATOM 0 HA ASN A 87 4.557 -4.958 12.791 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.299 -7.004 12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.717 -7.121 13.780 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.565 -4.756 14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.582 -5.763 13.372 1.00 0.00 H new ATOM 1369 N PHE A 88 4.032 -6.968 10.263 1.00 0.00 N ATOM 1370 CA PHE A 88 4.682 -7.869 9.318 1.00 0.00 C ATOM 1371 C PHE A 88 5.785 -7.147 8.549 1.00 0.00 C ATOM 1372 O PHE A 88 6.856 -7.705 8.305 1.00 0.00 O ATOM 1373 CB PHE A 88 3.656 -8.443 8.340 1.00 0.00 C ATOM 1374 CG PHE A 88 4.262 -8.947 7.061 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.629 -8.064 6.058 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.466 -10.303 6.862 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.188 -8.524 4.880 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.024 -10.769 5.687 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.385 -9.879 4.695 1.00 0.00 C ATOM 0 H PHE A 88 3.080 -6.705 10.008 1.00 0.00 H new ATOM 0 HA PHE A 88 5.131 -8.685 9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.121 -9.259 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.920 -7.674 8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.477 -7.004 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.186 -11.004 7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.470 -7.826 4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.178 -11.828 5.545 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.821 -10.242 3.776 1.00 0.00 H new ATOM 1389 N LEU A 89 5.516 -5.902 8.171 1.00 0.00 N ATOM 1390 CA LEU A 89 6.485 -5.102 7.429 1.00 0.00 C ATOM 1391 C LEU A 89 7.641 -4.674 8.328 1.00 0.00 C ATOM 1392 O LEU A 89 8.802 -4.712 7.923 1.00 0.00 O ATOM 1393 CB LEU A 89 5.806 -3.869 6.831 1.00 0.00 C ATOM 1394 CG LEU A 89 4.952 -4.110 5.586 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.384 -2.799 5.066 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.769 -4.805 4.506 1.00 0.00 C ATOM 0 H LEU A 89 4.636 -5.425 8.366 1.00 0.00 H new ATOM 0 HA LEU A 89 6.885 -5.717 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.176 -3.419 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.577 -3.139 6.583 1.00 0.00 H new ATOM 0 HG LEU A 89 4.120 -4.759 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.779 -2.991 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.764 -2.340 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.201 -2.125 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.146 -4.969 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.621 -4.181 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.127 -5.764 4.881 1.00 0.00 H new ATOM 1408 N ALA A 90 7.314 -4.271 9.551 1.00 0.00 N ATOM 1409 CA ALA A 90 8.324 -3.840 10.509 1.00 0.00 C ATOM 1410 C ALA A 90 9.416 -4.893 10.665 1.00 0.00 C ATOM 1411 O ALA A 90 10.594 -4.564 10.802 1.00 0.00 O ATOM 1412 CB ALA A 90 7.682 -3.540 11.855 1.00 0.00 C ATOM 0 H ALA A 90 6.357 -4.234 9.902 1.00 0.00 H new ATOM 0 HA ALA A 90 8.785 -2.929 10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.449 -3.219 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.943 -2.747 11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.194 -4.438 12.233 1.00 0.00 H new ATOM 1418 N ALA A 91 9.017 -6.161 10.645 1.00 0.00 N ATOM 1419 CA ALA A 91 9.962 -7.262 10.783 1.00 0.00 C ATOM 1420 C ALA A 91 10.904 -7.330 9.586 1.00 0.00 C ATOM 1421 O ALA A 91 11.990 -7.905 9.668 1.00 0.00 O ATOM 1422 CB ALA A 91 9.218 -8.579 10.947 1.00 0.00 C ATOM 0 H ALA A 91 8.045 -6.451 10.534 1.00 0.00 H new ATOM 0 HA ALA A 91 10.562 -7.083 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.936 -9.392 11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.591 -8.534 11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.592 -8.755 10.072 1.00 0.00 H new ATOM 1428 N LYS A 92 10.482 -6.740 8.472 1.00 0.00 N ATOM 1429 CA LYS A 92 11.288 -6.733 7.257 1.00 0.00 C ATOM 1430 C LYS A 92 12.261 -5.559 7.257 1.00 0.00 C ATOM 1431 O LYS A 92 13.243 -5.554 6.516 1.00 0.00 O ATOM 1432 CB LYS A 92 10.385 -6.661 6.023 1.00 0.00 C ATOM 1433 CG LYS A 92 9.368 -7.787 5.947 1.00 0.00 C ATOM 1434 CD LYS A 92 9.985 -9.059 5.391 1.00 0.00 C ATOM 1435 CE LYS A 92 8.932 -10.130 5.150 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.332 -11.067 4.064 1.00 0.00 N ATOM 0 H LYS A 92 9.586 -6.260 8.386 1.00 0.00 H new ATOM 0 HA LYS A 92 11.863 -7.659 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.859 -5.707 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.006 -6.682 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.964 -7.982 6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.532 -7.482 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.500 -8.837 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.735 -9.435 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.767 -10.690 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.985 -9.656 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.588 -11.782 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.465 -10.537 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.222 -11.538 4.323 1.00 0.00 H new ATOM 1450 N GLY A 93 11.982 -4.564 8.094 1.00 0.00 N ATOM 1451 CA GLY A 93 12.844 -3.399 8.175 1.00 0.00 C ATOM 1452 C GLY A 93 12.154 -2.134 7.705 1.00 0.00 C ATOM 1453 O GLY A 93 12.792 -1.243 7.144 1.00 0.00 O ATOM 0 H GLY A 93 11.175 -4.544 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.176 -3.267 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.736 -3.568 7.572 1.00 0.00 H new ATOM 1457 N ILE A 94 10.847 -2.055 7.933 1.00 0.00 N ATOM 1458 CA ILE A 94 10.071 -0.890 7.528 1.00 0.00 C ATOM 1459 C ILE A 94 9.464 -0.187 8.738 1.00 0.00 C ATOM 1460 O ILE A 94 8.727 -0.792 9.515 1.00 0.00 O ATOM 1461 CB ILE A 94 8.943 -1.276 6.553 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.524 -1.940 5.304 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.126 -0.049 6.176 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.481 -2.603 4.431 1.00 0.00 C ATOM 0 H ILE A 94 10.304 -2.784 8.396 1.00 0.00 H new ATOM 0 HA ILE A 94 10.759 -0.212 7.024 1.00 0.00 H new ATOM 0 HB ILE A 94 8.284 -1.990 7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.054 -1.190 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.259 -2.685 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.333 -0.338 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 94 7.686 0.385 7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.773 0.686 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.965 -3.053 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.967 -3.376 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.759 -1.858 4.097 1.00 0.00 H new ATOM 1526 N GLY A 98 5.531 5.576 13.121 1.00 0.00 N ATOM 1527 CA GLY A 98 4.889 6.781 12.629 1.00 0.00 C ATOM 1528 C GLY A 98 3.484 6.523 12.122 1.00 0.00 C ATOM 1529 O GLY A 98 2.555 7.267 12.442 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.854 7.522 13.427 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.490 7.207 11.825 1.00 0.00 H new ATOM 1533 N LEU A 99 3.326 5.469 11.329 1.00 0.00 N ATOM 1534 CA LEU A 99 2.023 5.117 10.776 1.00 0.00 C ATOM 1535 C LEU A 99 1.017 4.835 11.888 1.00 0.00 C ATOM 1536 O LEU A 99 1.394 4.627 13.041 1.00 0.00 O ATOM 1537 CB LEU A 99 2.148 3.895 9.864 1.00 0.00 C ATOM 1538 CG LEU A 99 3.167 4.006 8.729 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.269 2.691 7.973 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.792 5.139 7.785 1.00 0.00 C ATOM 0 H LEU A 99 4.084 4.844 11.055 1.00 0.00 H new ATOM 0 HA LEU A 99 1.663 5.964 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.411 3.034 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.170 3.690 9.429 1.00 0.00 H new ATOM 0 HG LEU A 99 4.142 4.229 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.999 2.789 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.585 1.902 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.296 2.437 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.528 5.203 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.807 4.947 7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.772 6.080 8.335 1.00 0.00 H new ATOM 1552 N SER A 100 -0.263 4.827 11.532 1.00 0.00 N ATOM 1553 CA SER A 100 -1.324 4.572 12.500 1.00 0.00 C ATOM 1554 C SER A 100 -2.503 3.864 11.839 1.00 0.00 C ATOM 1555 O SER A 100 -3.236 4.460 11.051 1.00 0.00 O ATOM 1556 CB SER A 100 -1.792 5.883 13.133 1.00 0.00 C ATOM 1557 OG SER A 100 -0.886 6.318 14.133 1.00 0.00 O ATOM 0 H SER A 100 -0.591 4.994 10.581 1.00 0.00 H new ATOM 0 HA SER A 100 -0.923 3.924 13.279 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.885 6.649 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.782 5.747 13.569 1.00 0.00 H new ATOM 0 HG SER A 100 -0.031 5.851 14.025 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.679 2.588 12.168 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.769 1.799 11.609 1.00 0.00 C ATOM 1565 C ALA A 101 -5.077 2.583 11.620 1.00 0.00 C ATOM 1566 O ALA A 101 -5.771 2.662 10.607 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.927 0.497 12.381 1.00 0.00 C ATOM 0 H ALA A 101 -2.080 2.079 12.819 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.523 1.568 10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.745 -0.083 11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.003 -0.078 12.318 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.147 0.718 13.426 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.406 3.162 12.771 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.631 3.939 12.911 1.00 0.00 C ATOM 1575 C GLU A 102 -6.725 5.008 11.826 1.00 0.00 C ATOM 1576 O GLU A 102 -7.737 5.115 11.133 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.691 4.593 14.293 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.083 5.056 14.688 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.063 6.063 15.822 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.064 6.803 15.940 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.046 6.110 16.591 1.00 0.00 O ATOM 0 H GLU A 102 -4.841 3.107 13.619 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.476 3.259 12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.329 3.884 15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.014 5.447 14.311 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.574 5.500 13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.679 4.193 14.984 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.664 5.795 11.686 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.628 6.857 10.686 1.00 0.00 C ATOM 1590 C GLU A 103 -5.863 6.294 9.287 1.00 0.00 C ATOM 1591 O GLU A 103 -6.652 6.837 8.513 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.284 7.588 10.735 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.024 8.295 12.054 1.00 0.00 C ATOM 1594 CD GLU A 103 -4.756 9.618 12.161 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -5.999 9.599 12.287 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.088 10.672 12.120 1.00 0.00 O ATOM 0 H GLU A 103 -4.818 5.718 12.251 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.426 7.564 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.483 6.871 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.248 8.319 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.330 7.647 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.953 8.466 12.165 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.172 5.204 8.970 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.306 4.568 7.666 1.00 0.00 C ATOM 1605 C ILE A 104 -6.749 4.152 7.402 1.00 0.00 C ATOM 1606 O ILE A 104 -7.268 4.339 6.302 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.397 3.331 7.547 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.931 3.727 7.740 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.596 2.655 6.198 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.962 2.588 7.509 1.00 0.00 C ATOM 0 H ILE A 104 -4.514 4.743 9.599 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.002 5.305 6.923 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.668 2.623 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.690 4.542 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.796 4.108 8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.947 1.782 6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.635 2.343 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.349 3.355 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.942 2.941 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.176 1.780 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.069 2.221 6.488 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.392 3.589 8.420 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.776 3.147 8.299 1.00 0.00 C ATOM 1624 C ARG A 105 -9.706 4.333 8.058 1.00 0.00 C ATOM 1625 O ARG A 105 -10.739 4.200 7.403 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.206 2.396 9.560 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.554 1.706 9.428 1.00 0.00 C ATOM 1628 CD ARG A 105 -10.940 0.988 10.712 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.388 0.917 10.885 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.152 1.977 11.129 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.607 3.182 11.228 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.462 1.832 11.275 1.00 0.00 N ATOM 0 H ARG A 105 -6.977 3.428 9.338 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.843 2.475 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.449 1.651 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.246 3.097 10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.318 2.442 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.519 0.991 8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.526 -0.020 10.702 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.498 1.505 11.564 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.838 0.004 10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.600 3.297 11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.195 3.994 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.884 0.906 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.047 2.646 11.462 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.331 5.490 8.592 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.133 6.699 8.436 1.00 0.00 C ATOM 1648 C ASN A 106 -9.987 7.271 7.029 1.00 0.00 C ATOM 1649 O ASN A 106 -10.880 7.953 6.529 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.718 7.748 9.470 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.504 7.629 10.762 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.731 7.731 10.766 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.799 7.413 11.866 1.00 0.00 N ATOM 0 H ASN A 106 -8.478 5.617 9.136 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.178 6.435 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.654 7.642 9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.862 8.744 9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.273 7.325 12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.783 7.335 11.815 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.853 6.986 6.395 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.611 7.479 5.052 1.00 0.00 C ATOM 1662 C GLY A 107 -7.715 8.701 5.036 1.00 0.00 C ATOM 1663 O GLY A 107 -7.677 9.438 4.051 1.00 0.00 O ATOM 0 H GLY A 107 -8.099 6.423 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.154 6.689 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.563 7.724 4.581 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.992 8.918 6.130 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.094 10.062 6.239 1.00 0.00 C ATOM 1669 C ASN A 108 -4.923 9.927 5.271 1.00 0.00 C ATOM 1670 O ASN A 108 -3.997 9.149 5.504 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.574 10.194 7.671 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.233 11.627 8.033 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -5.884 12.236 8.883 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.209 12.173 7.387 1.00 0.00 N ATOM 0 H ASN A 108 -7.010 8.317 6.954 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.655 10.960 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.326 9.816 8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.688 9.571 7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.934 13.134 7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.698 11.631 6.690 1.00 0.00 H new ATOM 1681 N LEU A 109 -4.969 10.690 4.184 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.912 10.657 3.180 1.00 0.00 C ATOM 1683 C LEU A 109 -2.539 10.567 3.838 1.00 0.00 C ATOM 1684 O LEU A 109 -1.775 9.636 3.581 1.00 0.00 O ATOM 1685 CB LEU A 109 -3.984 11.902 2.294 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.416 11.755 0.882 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.230 10.750 0.082 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.386 13.102 0.176 1.00 0.00 C ATOM 0 H LEU A 109 -5.728 11.339 3.976 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.058 9.770 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.027 12.207 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.453 12.711 2.795 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.394 11.385 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.811 10.658 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.200 9.780 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.263 11.091 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.979 12.978 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.398 13.501 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.759 13.794 0.739 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.231 11.538 4.691 1.00 0.00 N ATOM 1701 CA LYS A 110 -0.952 11.567 5.390 1.00 0.00 C ATOM 1702 C LYS A 110 -0.542 10.167 5.834 1.00 0.00 C ATOM 1703 O LYS A 110 0.625 9.790 5.733 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.032 12.495 6.604 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.045 13.970 6.243 1.00 0.00 C ATOM 1706 CD LYS A 110 0.349 14.475 5.911 1.00 0.00 C ATOM 1707 CE LYS A 110 0.306 15.862 5.288 1.00 0.00 C ATOM 1708 NZ LYS A 110 1.649 16.300 4.816 1.00 0.00 N ATOM 0 H LYS A 110 -2.851 12.316 4.915 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.198 11.945 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.933 12.261 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.183 12.297 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.704 14.131 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.453 14.545 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.953 14.501 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.834 13.781 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.391 15.862 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.073 16.577 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.577 17.250 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.309 16.324 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.000 15.632 4.100 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.511 9.399 6.323 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.251 8.039 6.778 1.00 0.00 C ATOM 1724 C ALA A 111 -1.035 7.097 5.598 1.00 0.00 C ATOM 1725 O ALA A 111 0.048 6.534 5.432 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.398 7.545 7.647 1.00 0.00 C ATOM 0 H ALA A 111 -2.483 9.696 6.414 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.338 8.050 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.190 6.528 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.504 8.196 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.323 7.556 7.070 1.00 0.00 H new ATOM 1732 N ILE A 112 -2.071 6.929 4.783 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.993 6.056 3.619 1.00 0.00 C ATOM 1734 C ILE A 112 -0.719 6.314 2.822 1.00 0.00 C ATOM 1735 O ILE A 112 0.108 5.418 2.646 1.00 0.00 O ATOM 1736 CB ILE A 112 -3.210 6.241 2.694 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.502 5.897 3.439 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -3.065 5.380 1.448 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -5.116 7.076 4.161 1.00 0.00 C ATOM 0 H ILE A 112 -2.974 7.386 4.908 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.983 5.032 3.993 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.258 7.286 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.227 5.499 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.296 5.107 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.933 5.522 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.163 5.669 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.995 4.331 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -6.028 6.758 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.409 7.461 4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.354 7.860 3.442 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.566 7.544 2.344 1.00 0.00 N ATOM 1752 CA LEU A 113 0.609 7.921 1.566 1.00 0.00 C ATOM 1753 C LEU A 113 1.890 7.464 2.258 1.00 0.00 C ATOM 1754 O LEU A 113 2.776 6.889 1.628 1.00 0.00 O ATOM 1755 CB LEU A 113 0.642 9.436 1.358 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.197 9.972 0.197 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.055 11.459 -0.002 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.106 9.202 -1.080 1.00 0.00 C ATOM 0 H LEU A 113 -1.240 8.297 2.481 1.00 0.00 H new ATOM 0 HA LEU A 113 0.546 7.428 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.304 9.916 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.677 9.739 1.202 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.250 9.832 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.550 11.823 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.213 11.998 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.110 11.623 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.500 9.597 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.162 9.309 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.127 8.147 -0.933 1.00 0.00 H new ATOM 1770 N GLY A 114 1.978 7.722 3.559 1.00 0.00 N ATOM 1771 CA GLY A 114 3.152 7.329 4.316 1.00 0.00 C ATOM 1772 C GLY A 114 3.435 5.843 4.216 1.00 0.00 C ATOM 1773 O GLY A 114 4.591 5.428 4.120 1.00 0.00 O ATOM 0 H GLY A 114 1.257 8.196 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.017 7.886 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.013 7.600 5.363 1.00 0.00 H new ATOM 1777 N LEU A 115 2.378 5.038 4.240 1.00 0.00 N ATOM 1778 CA LEU A 115 2.517 3.589 4.154 1.00 0.00 C ATOM 1779 C LEU A 115 3.193 3.184 2.847 1.00 0.00 C ATOM 1780 O LEU A 115 4.258 2.566 2.852 1.00 0.00 O ATOM 1781 CB LEU A 115 1.147 2.917 4.262 1.00 0.00 C ATOM 1782 CG LEU A 115 0.987 1.594 3.513 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.000 0.689 4.233 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.538 1.843 2.080 1.00 0.00 C ATOM 0 H LEU A 115 1.415 5.365 4.318 1.00 0.00 H new ATOM 0 HA LEU A 115 3.142 3.259 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.932 2.743 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.393 3.613 3.894 1.00 0.00 H new ATOM 0 HG LEU A 115 1.955 1.094 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.101 -0.248 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.363 0.483 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.970 1.182 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.429 0.890 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.419 2.365 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.282 2.452 1.566 1.00 0.00 H new ATOM 1796 N PHE A 116 2.568 3.538 1.729 1.00 0.00 N ATOM 1797 CA PHE A 116 3.109 3.213 0.415 1.00 0.00 C ATOM 1798 C PHE A 116 4.447 3.911 0.190 1.00 0.00 C ATOM 1799 O PHE A 116 5.222 3.524 -0.685 1.00 0.00 O ATOM 1800 CB PHE A 116 2.120 3.616 -0.681 1.00 0.00 C ATOM 1801 CG PHE A 116 1.148 2.529 -1.041 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.561 1.424 -1.768 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.179 2.612 -0.652 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.670 0.422 -2.100 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -1.075 1.612 -0.980 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.651 0.517 -1.707 1.00 0.00 C ATOM 0 H PHE A 116 1.686 4.050 1.707 1.00 0.00 H new ATOM 0 HA PHE A 116 3.269 2.136 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.565 4.495 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.676 3.905 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.592 1.345 -2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.517 3.468 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.006 -0.434 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -2.106 1.687 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.351 -0.263 -1.968 1.00 0.00 H new ATOM 1816 N PHE A 117 4.711 4.942 0.985 1.00 0.00 N ATOM 1817 CA PHE A 117 5.954 5.696 0.873 1.00 0.00 C ATOM 1818 C PHE A 117 7.137 4.871 1.371 1.00 0.00 C ATOM 1819 O PHE A 117 8.217 4.895 0.781 1.00 0.00 O ATOM 1820 CB PHE A 117 5.858 7.001 1.666 1.00 0.00 C ATOM 1821 CG PHE A 117 7.150 7.765 1.722 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.231 7.273 2.435 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.282 8.976 1.061 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.421 7.974 2.488 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.470 9.681 1.111 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.540 9.180 1.826 1.00 0.00 C ATOM 0 H PHE A 117 4.080 5.275 1.714 1.00 0.00 H new ATOM 0 HA PHE A 117 6.114 5.930 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.091 7.633 1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.534 6.776 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.143 6.331 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.448 9.373 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.257 7.579 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.561 10.623 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.468 9.730 1.867 1.00 0.00 H new ATOM 1836 N SER A 118 6.925 4.142 2.462 1.00 0.00 N ATOM 1837 CA SER A 118 7.974 3.312 3.043 1.00 0.00 C ATOM 1838 C SER A 118 7.975 1.920 2.419 1.00 0.00 C ATOM 1839 O SER A 118 9.028 1.381 2.077 1.00 0.00 O ATOM 1840 CB SER A 118 7.788 3.204 4.558 1.00 0.00 C ATOM 1841 OG SER A 118 9.025 2.969 5.208 1.00 0.00 O ATOM 0 H SER A 118 6.036 4.109 2.961 1.00 0.00 H new ATOM 0 HA SER A 118 8.934 3.785 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.342 4.123 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.094 2.395 4.786 1.00 0.00 H new ATOM 0 HG SER A 118 8.880 2.906 6.175 1.00 0.00 H new ATOM 1847 N LEU A 119 6.787 1.344 2.273 1.00 0.00 N ATOM 1848 CA LEU A 119 6.648 0.014 1.690 1.00 0.00 C ATOM 1849 C LEU A 119 7.373 -0.072 0.351 1.00 0.00 C ATOM 1850 O LEU A 119 8.078 -1.043 0.076 1.00 0.00 O ATOM 1851 CB LEU A 119 5.169 -0.332 1.505 1.00 0.00 C ATOM 1852 CG LEU A 119 4.866 -1.513 0.583 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.619 -2.753 1.039 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.369 -1.782 0.536 1.00 0.00 C ATOM 0 H LEU A 119 5.906 1.777 2.550 1.00 0.00 H new ATOM 0 HA LEU A 119 7.100 -0.704 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.741 -0.543 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.657 0.548 1.116 1.00 0.00 H new ATOM 0 HG LEU A 119 5.201 -1.260 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.391 -3.583 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.691 -2.555 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.316 -3.010 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.172 -2.626 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.009 -2.014 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.852 -0.899 0.161 1.00 0.00 H new ATOM 1866 N SER A 120 7.196 0.952 -0.479 1.00 0.00 N ATOM 1867 CA SER A 120 7.832 0.992 -1.790 1.00 0.00 C ATOM 1868 C SER A 120 9.352 0.942 -1.659 1.00 0.00 C ATOM 1869 O SER A 120 10.055 0.572 -2.599 1.00 0.00 O ATOM 1870 CB SER A 120 7.416 2.256 -2.544 1.00 0.00 C ATOM 1871 OG SER A 120 7.946 3.416 -1.927 1.00 0.00 O ATOM 0 H SER A 120 6.617 1.765 -0.266 1.00 0.00 H new ATOM 0 HA SER A 120 7.504 0.117 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.763 2.198 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.329 2.322 -2.577 1.00 0.00 H new ATOM 0 HG SER A 120 7.266 3.817 -1.346 1.00 0.00 H new ATOM 1877 N ARG A 121 9.850 1.316 -0.485 1.00 0.00 N ATOM 1878 CA ARG A 121 11.286 1.316 -0.230 1.00 0.00 C ATOM 1879 C ARG A 121 11.791 -0.100 0.030 1.00 0.00 C ATOM 1880 O ARG A 121 12.819 -0.512 -0.509 1.00 0.00 O ATOM 1881 CB ARG A 121 11.613 2.214 0.965 1.00 0.00 C ATOM 1882 CG ARG A 121 10.973 3.590 0.886 1.00 0.00 C ATOM 1883 CD ARG A 121 11.466 4.499 2.001 1.00 0.00 C ATOM 1884 NE ARG A 121 12.891 4.796 1.874 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.378 5.727 1.061 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.559 6.447 0.307 1.00 0.00 N ATOM 1887 NH2 ARG A 121 14.686 5.939 1.002 1.00 0.00 N ATOM 0 H ARG A 121 9.281 1.623 0.304 1.00 0.00 H new ATOM 0 HA ARG A 121 11.788 1.705 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.283 1.721 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.695 2.329 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.198 4.042 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.889 3.492 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 121 10.899 5.430 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.279 4.025 2.965 1.00 0.00 H new ATOM 0 HE ARG A 121 13.548 4.259 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.553 6.287 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.935 7.161 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.319 5.387 1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.059 6.654 0.378 1.00 0.00 H new ATOM 1901 N TYR A 122 11.063 -0.839 0.860 1.00 0.00 N ATOM 1902 CA TYR A 122 11.439 -2.208 1.194 1.00 0.00 C ATOM 1903 C TYR A 122 11.796 -2.997 -0.062 1.00 0.00 C ATOM 1904 O TYR A 122 12.556 -3.964 -0.007 1.00 0.00 O ATOM 1905 CB TYR A 122 10.300 -2.904 1.941 1.00 0.00 C ATOM 1906 CG TYR A 122 10.267 -4.401 1.735 1.00 0.00 C ATOM 1907 CD1 TYR A 122 9.671 -4.954 0.608 1.00 0.00 C ATOM 1908 CD2 TYR A 122 10.830 -5.263 2.667 1.00 0.00 C ATOM 1909 CE1 TYR A 122 9.638 -6.321 0.415 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.803 -6.632 2.482 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.205 -7.156 1.355 1.00 0.00 C ATOM 1912 OH TYR A 122 10.174 -8.519 1.168 1.00 0.00 O ATOM 0 H TYR A 122 10.210 -0.513 1.314 1.00 0.00 H new ATOM 0 HA TYR A 122 12.317 -2.170 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.394 -2.694 3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.350 -2.480 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.226 -4.303 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.297 -4.856 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.171 -6.734 -0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.248 -7.288 3.216 1.00 0.00 H new ATOM 0 HH TYR A 122 10.617 -8.963 1.921 1.00 0.00 H new ATOM 1922 N LYS A 123 11.242 -2.577 -1.194 1.00 0.00 N ATOM 1923 CA LYS A 123 11.501 -3.241 -2.466 1.00 0.00 C ATOM 1924 C LYS A 123 12.634 -2.550 -3.219 1.00 0.00 C ATOM 1925 O LYS A 123 13.648 -3.171 -3.536 1.00 0.00 O ATOM 1926 CB LYS A 123 10.235 -3.253 -3.326 1.00 0.00 C ATOM 1927 CG LYS A 123 10.346 -4.132 -4.559 1.00 0.00 C ATOM 1928 CD LYS A 123 10.402 -5.605 -4.190 1.00 0.00 C ATOM 1929 CE LYS A 123 9.839 -6.480 -5.300 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.886 -6.869 -6.285 1.00 0.00 N ATOM 0 H LYS A 123 10.610 -1.779 -1.257 1.00 0.00 H new ATOM 0 HA LYS A 123 11.800 -4.268 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.397 -3.597 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.007 -2.233 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.493 -3.952 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.241 -3.862 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.434 -5.891 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.839 -5.773 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.397 -7.377 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.039 -5.946 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.462 -7.464 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.290 -6.014 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.638 -7.401 -5.801 1.00 0.00 H new ATOM 1944 N GLN A 124 12.453 -1.264 -3.501 1.00 0.00 N ATOM 1945 CA GLN A 124 13.461 -0.490 -4.216 1.00 0.00 C ATOM 1946 C GLN A 124 14.820 -0.604 -3.534 1.00 0.00 C ATOM 1947 O GLN A 124 15.856 -0.350 -4.148 1.00 0.00 O ATOM 1948 CB GLN A 124 13.041 0.978 -4.302 1.00 0.00 C ATOM 1949 CG GLN A 124 13.569 1.829 -3.159 1.00 0.00 C ATOM 1950 CD GLN A 124 12.910 3.193 -3.093 1.00 0.00 C ATOM 1951 OE1 GLN A 124 13.586 4.222 -3.065 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.582 3.208 -3.069 1.00 0.00 N ATOM 0 H GLN A 124 11.618 -0.736 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 124 13.546 -0.895 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.393 1.393 -5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.953 1.036 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 124 13.407 1.306 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 124 14.646 1.955 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.062 2.331 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.083 4.096 -3.026 1.00 0.00 H new