USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-5.4!) USER MOD Single : A 29 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.5) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 167:sc= -0.519 (180deg=-0.911) USER MOD Single : A 46 CYS SG : rot -140:sc= -0.997 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.75 F(o=-2.7,f=-0.75) USER MOD Single : A 52 HIS : no HE2:sc= -1.12 X(o=-1.1,f=-1.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.00096) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= -3.09 (180deg=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.684 12.892 5.122 1.00 0.00 N ATOM 191 CA ILE A 16 5.211 11.542 4.842 1.00 0.00 C ATOM 192 C ILE A 16 3.749 11.550 4.408 1.00 0.00 C ATOM 193 O ILE A 16 2.951 12.352 4.895 1.00 0.00 O ATOM 194 CB ILE A 16 5.364 10.624 6.070 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.844 10.444 6.416 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.708 9.277 5.810 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.680 9.947 5.257 1.00 0.00 C ATOM 0 HA ILE A 16 5.827 11.155 4.030 1.00 0.00 H new ATOM 0 HB ILE A 16 4.865 11.091 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.246 11.396 6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.932 9.741 7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.825 8.640 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.647 9.422 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.181 8.802 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.717 9.843 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.303 8.979 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.622 10.660 4.435 1.00 0.00 H new ATOM 209 N ALA A 17 3.403 10.653 3.491 1.00 0.00 N ATOM 210 CA ALA A 17 2.037 10.554 2.994 1.00 0.00 C ATOM 211 C ALA A 17 1.402 9.226 3.392 1.00 0.00 C ATOM 212 O ALA A 17 1.777 8.172 2.878 1.00 0.00 O ATOM 213 CB ALA A 17 2.011 10.723 1.483 1.00 0.00 C ATOM 0 H ALA A 17 4.051 9.983 3.077 1.00 0.00 H new ATOM 0 HA ALA A 17 1.453 11.355 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.984 10.647 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.415 11.700 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.615 9.943 1.019 1.00 0.00 H new ATOM 219 N GLU A 18 0.442 9.284 4.309 1.00 0.00 N ATOM 220 CA GLU A 18 -0.242 8.084 4.776 1.00 0.00 C ATOM 221 C GLU A 18 -1.439 7.759 3.887 1.00 0.00 C ATOM 222 O GLU A 18 -2.421 8.501 3.853 1.00 0.00 O ATOM 223 CB GLU A 18 -0.702 8.262 6.224 1.00 0.00 C ATOM 224 CG GLU A 18 -1.400 7.039 6.796 1.00 0.00 C ATOM 225 CD GLU A 18 -2.898 7.061 6.564 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.517 8.123 6.785 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.451 6.016 6.161 1.00 0.00 O ATOM 0 H GLU A 18 0.120 10.149 4.743 1.00 0.00 H new ATOM 0 HA GLU A 18 0.462 7.254 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.162 8.500 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.378 9.115 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.979 6.141 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.203 6.980 7.866 1.00 0.00 H new ATOM 234 N VAL A 19 -1.349 6.646 3.166 1.00 0.00 N ATOM 235 CA VAL A 19 -2.423 6.222 2.276 1.00 0.00 C ATOM 236 C VAL A 19 -2.702 4.730 2.423 1.00 0.00 C ATOM 237 O VAL A 19 -1.868 3.896 2.072 1.00 0.00 O ATOM 238 CB VAL A 19 -2.087 6.528 0.804 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.217 6.073 -0.107 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.807 8.012 0.620 1.00 0.00 C ATOM 0 H VAL A 19 -0.543 6.021 3.181 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.312 6.785 2.562 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.188 5.975 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.962 6.297 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.365 4.999 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.135 6.596 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.571 8.211 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.687 8.587 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.962 8.303 1.244 1.00 0.00 H new ATOM 250 N GLU A 20 -3.881 4.403 2.942 1.00 0.00 N ATOM 251 CA GLU A 20 -4.268 3.010 3.135 1.00 0.00 C ATOM 252 C GLU A 20 -5.201 2.545 2.020 1.00 0.00 C ATOM 253 O GLU A 20 -5.847 3.357 1.357 1.00 0.00 O ATOM 254 CB GLU A 20 -4.952 2.831 4.493 1.00 0.00 C ATOM 255 CG GLU A 20 -6.221 3.653 4.650 1.00 0.00 C ATOM 256 CD GLU A 20 -6.609 3.857 6.101 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.706 4.102 6.929 1.00 0.00 O ATOM 258 OE2 GLU A 20 -7.815 3.772 6.409 1.00 0.00 O ATOM 0 H GLU A 20 -4.583 5.082 3.236 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.364 2.402 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.192 1.777 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.252 3.106 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.081 4.624 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.038 3.157 4.126 1.00 0.00 H new ATOM 265 N VAL A 21 -5.265 1.233 1.819 1.00 0.00 N ATOM 266 CA VAL A 21 -6.117 0.659 0.785 1.00 0.00 C ATOM 267 C VAL A 21 -6.914 -0.524 1.324 1.00 0.00 C ATOM 268 O VAL A 21 -6.534 -1.141 2.318 1.00 0.00 O ATOM 269 CB VAL A 21 -5.292 0.196 -0.431 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.404 -0.980 -0.057 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.208 -0.164 -1.591 1.00 0.00 C ATOM 0 H VAL A 21 -4.737 0.547 2.359 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.804 1.444 0.470 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.650 1.019 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.829 -1.293 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.722 -0.682 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.023 -1.809 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.608 -0.489 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.877 -0.970 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.796 0.709 -1.874 1.00 0.00 H new ATOM 281 N SER A 22 -8.023 -0.834 0.660 1.00 0.00 N ATOM 282 CA SER A 22 -8.877 -1.942 1.074 1.00 0.00 C ATOM 283 C SER A 22 -8.416 -3.251 0.438 1.00 0.00 C ATOM 284 O SER A 22 -8.401 -3.388 -0.784 1.00 0.00 O ATOM 285 CB SER A 22 -10.332 -1.662 0.692 1.00 0.00 C ATOM 286 OG SER A 22 -11.156 -2.780 0.972 1.00 0.00 O ATOM 0 H SER A 22 -8.351 -0.334 -0.166 1.00 0.00 H new ATOM 0 HA SER A 22 -8.805 -2.039 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.695 -0.792 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.393 -1.418 -0.369 1.00 0.00 H new ATOM 0 HG SER A 22 -12.081 -2.576 0.721 1.00 0.00 H new ATOM 292 N ILE A 23 -8.039 -4.208 1.280 1.00 0.00 N ATOM 293 CA ILE A 23 -7.577 -5.506 0.802 1.00 0.00 C ATOM 294 C ILE A 23 -7.878 -6.603 1.817 1.00 0.00 C ATOM 295 O ILE A 23 -7.711 -6.430 3.024 1.00 0.00 O ATOM 296 CB ILE A 23 -6.065 -5.493 0.509 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.740 -4.451 -0.563 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.598 -6.873 0.073 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.257 -4.240 -0.770 1.00 0.00 C ATOM 0 H ILE A 23 -8.044 -4.109 2.295 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.115 -5.712 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.535 -5.224 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.190 -4.760 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.199 -3.502 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.527 -6.847 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.800 -7.593 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.132 -7.169 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.101 -3.488 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.804 -3.901 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.795 -5.178 -1.077 1.00 0.00 H new ATOM 311 N PRO A 24 -8.331 -7.763 1.316 1.00 0.00 N ATOM 312 CA PRO A 24 -8.662 -8.913 2.162 1.00 0.00 C ATOM 313 C PRO A 24 -7.425 -9.551 2.784 1.00 0.00 C ATOM 314 O PRO A 24 -6.380 -9.656 2.142 1.00 0.00 O ATOM 315 CB PRO A 24 -9.334 -9.886 1.189 1.00 0.00 C ATOM 316 CG PRO A 24 -8.784 -9.526 -0.147 1.00 0.00 C ATOM 317 CD PRO A 24 -8.553 -8.041 -0.113 1.00 0.00 C ATOM 0 HA PRO A 24 -9.290 -8.630 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.107 -10.921 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.419 -9.782 1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.855 -10.061 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.481 -9.795 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.692 -7.754 -0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.411 -7.492 -0.501 1.00 0.00 H new ATOM 325 N ALA A 25 -7.551 -9.978 4.037 1.00 0.00 N ATOM 326 CA ALA A 25 -6.443 -10.609 4.744 1.00 0.00 C ATOM 327 C ALA A 25 -5.973 -11.865 4.019 1.00 0.00 C ATOM 328 O ALA A 25 -4.773 -12.092 3.861 1.00 0.00 O ATOM 329 CB ALA A 25 -6.849 -10.941 6.172 1.00 0.00 C ATOM 0 H ALA A 25 -8.409 -9.898 4.583 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.612 -9.904 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.012 -11.412 6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.128 -10.025 6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.698 -11.624 6.159 1.00 0.00 H new ATOM 335 N LYS A 26 -6.927 -12.682 3.582 1.00 0.00 N ATOM 336 CA LYS A 26 -6.612 -13.917 2.874 1.00 0.00 C ATOM 337 C LYS A 26 -5.473 -13.701 1.884 1.00 0.00 C ATOM 338 O LYS A 26 -4.637 -14.582 1.680 1.00 0.00 O ATOM 339 CB LYS A 26 -7.849 -14.437 2.139 1.00 0.00 C ATOM 340 CG LYS A 26 -8.197 -13.641 0.894 1.00 0.00 C ATOM 341 CD LYS A 26 -9.673 -13.756 0.553 1.00 0.00 C ATOM 342 CE LYS A 26 -9.970 -13.204 -0.834 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.347 -13.549 -1.286 1.00 0.00 N ATOM 0 H LYS A 26 -7.925 -12.510 3.706 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.296 -14.657 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.685 -15.478 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.700 -14.420 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.939 -12.593 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.600 -13.997 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.979 -14.801 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.262 -13.216 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.851 -12.121 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.245 -13.599 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.510 -13.155 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.453 -14.583 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.041 -13.150 -0.622 1.00 0.00 H new ATOM 357 N LEU A 27 -5.445 -12.522 1.270 1.00 0.00 N ATOM 358 CA LEU A 27 -4.406 -12.190 0.301 1.00 0.00 C ATOM 359 C LEU A 27 -3.166 -11.639 0.998 1.00 0.00 C ATOM 360 O LEU A 27 -2.037 -11.950 0.617 1.00 0.00 O ATOM 361 CB LEU A 27 -4.933 -11.169 -0.711 1.00 0.00 C ATOM 362 CG LEU A 27 -6.054 -11.652 -1.630 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.637 -10.489 -2.418 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.543 -12.733 -2.572 1.00 0.00 C ATOM 0 H LEU A 27 -6.129 -11.782 1.426 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.128 -13.104 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.290 -10.296 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.100 -10.838 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.845 -12.079 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.434 -10.852 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.040 -9.748 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.855 -10.032 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.355 -13.065 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.734 -12.331 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.174 -13.578 -1.990 1.00 0.00 H new ATOM 376 N HIS A 28 -3.385 -10.822 2.023 1.00 0.00 N ATOM 377 CA HIS A 28 -2.284 -10.230 2.777 1.00 0.00 C ATOM 378 C HIS A 28 -1.117 -11.206 2.891 1.00 0.00 C ATOM 379 O HIS A 28 -0.023 -10.942 2.396 1.00 0.00 O ATOM 380 CB HIS A 28 -2.757 -9.817 4.171 1.00 0.00 C ATOM 381 CG HIS A 28 -3.682 -8.638 4.164 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.008 -7.931 5.302 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.350 -8.042 3.148 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.839 -6.953 4.987 1.00 0.00 C ATOM 385 NE2 HIS A 28 -5.061 -6.998 3.685 1.00 0.00 N ATOM 0 H HIS A 28 -4.313 -10.555 2.351 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.943 -9.345 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.262 -10.662 4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.888 -9.583 4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.327 -8.334 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.264 -6.239 5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.663 -6.360 3.164 1.00 0.00 H new ATOM 393 N ASN A 29 -1.360 -12.336 3.549 1.00 0.00 N ATOM 394 CA ASN A 29 -0.329 -13.351 3.730 1.00 0.00 C ATOM 395 C ASN A 29 0.360 -13.670 2.407 1.00 0.00 C ATOM 396 O ASN A 29 1.588 -13.689 2.323 1.00 0.00 O ATOM 397 CB ASN A 29 -0.935 -14.625 4.321 1.00 0.00 C ATOM 398 CG ASN A 29 -1.838 -14.340 5.506 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.598 -13.408 6.274 1.00 0.00 O ATOM 400 ND2 ASN A 29 -2.885 -15.144 5.659 1.00 0.00 N ATOM 0 H ASN A 29 -2.261 -12.571 3.965 1.00 0.00 H new ATOM 0 HA ASN A 29 0.415 -12.956 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.505 -15.145 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.133 -15.295 4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.528 -15.001 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.045 -15.904 4.998 1.00 0.00 H new ATOM 407 N SER A 30 -0.439 -13.917 1.374 1.00 0.00 N ATOM 408 CA SER A 30 0.093 -14.238 0.055 1.00 0.00 C ATOM 409 C SER A 30 1.035 -13.141 -0.432 1.00 0.00 C ATOM 410 O SER A 30 2.163 -13.414 -0.844 1.00 0.00 O ATOM 411 CB SER A 30 -1.049 -14.427 -0.946 1.00 0.00 C ATOM 412 OG SER A 30 -1.603 -15.727 -0.849 1.00 0.00 O ATOM 0 H SER A 30 -1.458 -13.901 1.425 1.00 0.00 H new ATOM 0 HA SER A 30 0.656 -15.168 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.824 -13.683 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.681 -14.260 -1.958 1.00 0.00 H new ATOM 0 HG SER A 30 -2.332 -15.821 -1.498 1.00 0.00 H new ATOM 418 N LEU A 31 0.564 -11.900 -0.381 1.00 0.00 N ATOM 419 CA LEU A 31 1.364 -10.760 -0.816 1.00 0.00 C ATOM 420 C LEU A 31 2.658 -10.666 -0.015 1.00 0.00 C ATOM 421 O LEU A 31 3.745 -10.563 -0.584 1.00 0.00 O ATOM 422 CB LEU A 31 0.563 -9.465 -0.668 1.00 0.00 C ATOM 423 CG LEU A 31 -0.260 -9.043 -1.886 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.494 -8.267 -1.452 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.586 -8.211 -2.840 1.00 0.00 C ATOM 0 H LEU A 31 -0.367 -11.657 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 31 1.619 -10.905 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.111 -9.573 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.255 -8.659 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.585 -9.942 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.068 -7.975 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.111 -8.894 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.189 -7.375 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.016 -7.920 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.941 -7.318 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.440 -8.799 -3.177 1.00 0.00 H new ATOM 437 N ILE A 32 2.534 -10.703 1.307 1.00 0.00 N ATOM 438 CA ILE A 32 3.695 -10.624 2.185 1.00 0.00 C ATOM 439 C ILE A 32 4.749 -11.657 1.797 1.00 0.00 C ATOM 440 O ILE A 32 5.914 -11.321 1.592 1.00 0.00 O ATOM 441 CB ILE A 32 3.301 -10.839 3.659 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.274 -9.791 4.093 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.533 -10.783 4.550 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.525 -10.165 5.353 1.00 0.00 C ATOM 0 H ILE A 32 1.642 -10.787 1.794 1.00 0.00 H new ATOM 0 HA ILE A 32 4.111 -9.623 2.070 1.00 0.00 H new ATOM 0 HB ILE A 32 2.849 -11.826 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.782 -8.840 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.558 -9.640 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.238 -10.937 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.233 -11.563 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.011 -9.809 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.814 -9.377 5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.989 -11.100 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.232 -10.288 6.174 1.00 0.00 H new ATOM 456 N GLY A 33 4.328 -12.914 1.696 1.00 0.00 N ATOM 457 CA GLY A 33 5.249 -13.975 1.331 1.00 0.00 C ATOM 458 C GLY A 33 5.665 -14.817 2.521 1.00 0.00 C ATOM 459 O GLY A 33 5.260 -14.549 3.654 1.00 0.00 O ATOM 0 H GLY A 33 3.368 -13.216 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.782 -14.615 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.136 -13.540 0.870 1.00 0.00 H new ATOM 463 N THR A 34 6.478 -15.839 2.267 1.00 0.00 N ATOM 464 CA THR A 34 6.947 -16.723 3.325 1.00 0.00 C ATOM 465 C THR A 34 7.909 -15.999 4.261 1.00 0.00 C ATOM 466 O THR A 34 7.895 -16.216 5.473 1.00 0.00 O ATOM 467 CB THR A 34 7.650 -17.966 2.748 1.00 0.00 C ATOM 468 OG1 THR A 34 8.015 -18.859 3.807 1.00 0.00 O ATOM 469 CG2 THR A 34 8.889 -17.570 1.960 1.00 0.00 C ATOM 0 H THR A 34 6.825 -16.074 1.337 1.00 0.00 H new ATOM 0 HA THR A 34 6.067 -17.039 3.885 1.00 0.00 H new ATOM 0 HB THR A 34 6.956 -18.468 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.460 -19.647 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.369 -18.464 1.562 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.603 -16.915 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.585 -17.046 2.615 1.00 0.00 H new ATOM 477 N LYS A 35 8.744 -15.136 3.692 1.00 0.00 N ATOM 478 CA LYS A 35 9.712 -14.377 4.474 1.00 0.00 C ATOM 479 C LYS A 35 9.570 -12.881 4.212 1.00 0.00 C ATOM 480 O LYS A 35 10.563 -12.162 4.114 1.00 0.00 O ATOM 481 CB LYS A 35 11.135 -14.831 4.141 1.00 0.00 C ATOM 482 CG LYS A 35 11.485 -16.197 4.709 1.00 0.00 C ATOM 483 CD LYS A 35 12.922 -16.578 4.397 1.00 0.00 C ATOM 484 CE LYS A 35 13.889 -15.975 5.404 1.00 0.00 C ATOM 485 NZ LYS A 35 15.232 -16.617 5.337 1.00 0.00 N ATOM 0 H LYS A 35 8.769 -14.945 2.690 1.00 0.00 H new ATOM 0 HA LYS A 35 9.515 -14.563 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.256 -14.855 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.842 -14.095 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.335 -16.193 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.811 -16.947 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.021 -17.664 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.180 -16.238 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.988 -14.906 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.483 -16.087 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.862 -16.178 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.142 -17.633 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.631 -16.489 4.385 1.00 0.00 H new ATOM 499 N GLY A 36 8.329 -12.419 4.101 1.00 0.00 N ATOM 500 CA GLY A 36 8.081 -11.011 3.853 1.00 0.00 C ATOM 501 C GLY A 36 9.010 -10.434 2.803 1.00 0.00 C ATOM 502 O GLY A 36 9.485 -9.307 2.936 1.00 0.00 O ATOM 0 H GLY A 36 7.491 -12.995 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.048 -10.878 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.199 -10.455 4.783 1.00 0.00 H new ATOM 506 N ARG A 37 9.272 -11.211 1.756 1.00 0.00 N ATOM 507 CA ARG A 37 10.153 -10.773 0.682 1.00 0.00 C ATOM 508 C ARG A 37 9.363 -10.066 -0.416 1.00 0.00 C ATOM 509 O ARG A 37 9.664 -8.928 -0.778 1.00 0.00 O ATOM 510 CB ARG A 37 10.908 -11.965 0.093 1.00 0.00 C ATOM 511 CG ARG A 37 11.628 -12.805 1.135 1.00 0.00 C ATOM 512 CD ARG A 37 12.797 -13.566 0.528 1.00 0.00 C ATOM 513 NE ARG A 37 14.012 -12.757 0.483 1.00 0.00 N ATOM 514 CZ ARG A 37 15.231 -13.251 0.666 1.00 0.00 C ATOM 515 NH1 ARG A 37 15.396 -14.545 0.902 1.00 0.00 N ATOM 516 NH2 ARG A 37 16.288 -12.451 0.609 1.00 0.00 N ATOM 0 H ARG A 37 8.886 -12.147 1.630 1.00 0.00 H new ATOM 0 HA ARG A 37 10.871 -10.068 1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.205 -12.598 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.635 -11.601 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.989 -12.161 1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.927 -13.510 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.984 -14.468 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.537 -13.886 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 37 13.919 -11.758 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.586 -15.163 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.333 -14.922 1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.165 -11.455 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.224 -12.832 0.750 1.00 0.00 H new ATOM 530 N LEU A 38 8.350 -10.747 -0.941 1.00 0.00 N ATOM 531 CA LEU A 38 7.515 -10.186 -1.997 1.00 0.00 C ATOM 532 C LEU A 38 7.122 -8.748 -1.674 1.00 0.00 C ATOM 533 O LEU A 38 6.906 -7.936 -2.574 1.00 0.00 O ATOM 534 CB LEU A 38 6.261 -11.039 -2.190 1.00 0.00 C ATOM 535 CG LEU A 38 6.386 -12.206 -3.170 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.649 -11.693 -4.578 1.00 0.00 C ATOM 537 CD2 LEU A 38 7.491 -13.155 -2.731 1.00 0.00 C ATOM 0 H LEU A 38 8.087 -11.689 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 38 8.092 -10.186 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.963 -11.436 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.454 -10.390 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 38 5.444 -12.755 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.735 -12.537 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.824 -11.054 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.576 -11.120 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.566 -13.979 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.439 -12.619 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.261 -13.548 -1.741 1.00 0.00 H new ATOM 549 N ILE A 39 7.033 -8.440 -0.385 1.00 0.00 N ATOM 550 CA ILE A 39 6.669 -7.100 0.058 1.00 0.00 C ATOM 551 C ILE A 39 7.909 -6.267 0.366 1.00 0.00 C ATOM 552 O ILE A 39 7.987 -5.093 0.003 1.00 0.00 O ATOM 553 CB ILE A 39 5.770 -7.142 1.307 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.347 -7.554 0.924 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.766 -5.790 2.004 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.651 -6.558 0.023 1.00 0.00 C ATOM 0 H ILE A 39 7.208 -9.101 0.372 1.00 0.00 H new ATOM 0 HA ILE A 39 6.117 -6.638 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 39 6.170 -7.884 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.380 -8.522 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.758 -7.684 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.126 -5.837 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.781 -5.534 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.388 -5.030 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.647 -6.915 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.586 -5.594 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.217 -6.446 -0.902 1.00 0.00 H new ATOM 568 N ARG A 40 8.877 -6.883 1.036 1.00 0.00 N ATOM 569 CA ARG A 40 10.113 -6.199 1.393 1.00 0.00 C ATOM 570 C ARG A 40 10.785 -5.610 0.157 1.00 0.00 C ATOM 571 O ARG A 40 11.249 -4.470 0.173 1.00 0.00 O ATOM 572 CB ARG A 40 11.071 -7.164 2.096 1.00 0.00 C ATOM 573 CG ARG A 40 10.897 -7.203 3.605 1.00 0.00 C ATOM 574 CD ARG A 40 11.711 -6.116 4.289 1.00 0.00 C ATOM 575 NE ARG A 40 13.059 -6.569 4.621 1.00 0.00 N ATOM 576 CZ ARG A 40 14.084 -5.747 4.814 1.00 0.00 C ATOM 577 NH1 ARG A 40 13.916 -4.436 4.708 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.281 -6.235 5.113 1.00 0.00 N ATOM 0 H ARG A 40 8.829 -7.855 1.342 1.00 0.00 H new ATOM 0 HA ARG A 40 9.864 -5.385 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.922 -8.167 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.097 -6.877 1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.843 -7.080 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.202 -8.179 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.772 -5.244 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.201 -5.799 5.199 1.00 0.00 H new ATOM 0 HE ARG A 40 13.222 -7.572 4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.998 -4.056 4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.705 -3.807 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.415 -7.243 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.067 -5.602 5.261 1.00 0.00 H new ATOM 592 N SER A 41 10.835 -6.396 -0.914 1.00 0.00 N ATOM 593 CA SER A 41 11.453 -5.953 -2.159 1.00 0.00 C ATOM 594 C SER A 41 10.775 -4.691 -2.685 1.00 0.00 C ATOM 595 O SER A 41 11.420 -3.662 -2.880 1.00 0.00 O ATOM 596 CB SER A 41 11.381 -7.062 -3.211 1.00 0.00 C ATOM 597 OG SER A 41 12.497 -7.930 -3.114 1.00 0.00 O ATOM 0 H SER A 41 10.455 -7.342 -0.945 1.00 0.00 H new ATOM 0 HA SER A 41 12.499 -5.723 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.461 -7.632 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.345 -6.621 -4.207 1.00 0.00 H new ATOM 0 HG SER A 41 12.427 -8.631 -3.796 1.00 0.00 H new ATOM 603 N ILE A 42 9.469 -4.782 -2.914 1.00 0.00 N ATOM 604 CA ILE A 42 8.702 -3.648 -3.416 1.00 0.00 C ATOM 605 C ILE A 42 9.031 -2.376 -2.642 1.00 0.00 C ATOM 606 O ILE A 42 9.240 -1.316 -3.231 1.00 0.00 O ATOM 607 CB ILE A 42 7.187 -3.911 -3.330 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.817 -5.155 -4.140 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.410 -2.700 -3.824 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.443 -5.700 -3.817 1.00 0.00 C ATOM 0 H ILE A 42 8.920 -5.628 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 42 8.981 -3.516 -4.462 1.00 0.00 H new ATOM 0 HB ILE A 42 6.922 -4.087 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.863 -4.914 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.559 -5.932 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.341 -2.902 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.655 -1.834 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.676 -2.495 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.248 -6.581 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.398 -5.973 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.691 -4.939 -4.027 1.00 0.00 H new ATOM 622 N MET A 43 9.076 -2.490 -1.319 1.00 0.00 N ATOM 623 CA MET A 43 9.382 -1.349 -0.464 1.00 0.00 C ATOM 624 C MET A 43 10.670 -0.664 -0.912 1.00 0.00 C ATOM 625 O MET A 43 10.727 0.560 -1.021 1.00 0.00 O ATOM 626 CB MET A 43 9.508 -1.795 0.994 1.00 0.00 C ATOM 627 CG MET A 43 8.184 -2.195 1.624 1.00 0.00 C ATOM 628 SD MET A 43 8.186 -2.016 3.418 1.00 0.00 S ATOM 629 CE MET A 43 9.474 -3.173 3.872 1.00 0.00 C ATOM 0 H MET A 43 8.905 -3.360 -0.816 1.00 0.00 H new ATOM 0 HA MET A 43 8.563 -0.635 -0.548 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.197 -2.638 1.049 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.948 -0.985 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.386 -1.583 1.203 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.962 -3.231 1.366 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.756 -3.014 4.913 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.108 -4.192 3.747 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.344 -3.018 3.233 1.00 0.00 H new ATOM 639 N GLU A 44 11.701 -1.463 -1.168 1.00 0.00 N ATOM 640 CA GLU A 44 12.989 -0.933 -1.602 1.00 0.00 C ATOM 641 C GLU A 44 12.933 -0.501 -3.065 1.00 0.00 C ATOM 642 O GLU A 44 13.167 0.663 -3.387 1.00 0.00 O ATOM 643 CB GLU A 44 14.088 -1.980 -1.409 1.00 0.00 C ATOM 644 CG GLU A 44 15.490 -1.394 -1.396 1.00 0.00 C ATOM 645 CD GLU A 44 16.108 -1.327 -2.778 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.145 -2.372 -3.462 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.555 -0.231 -3.177 1.00 0.00 O ATOM 0 H GLU A 44 11.670 -2.479 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 44 13.219 -0.060 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.915 -2.508 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.019 -2.719 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.457 -0.392 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.125 -1.997 -0.747 1.00 0.00 H new ATOM 654 N GLU A 45 12.621 -1.448 -3.944 1.00 0.00 N ATOM 655 CA GLU A 45 12.537 -1.165 -5.373 1.00 0.00 C ATOM 656 C GLU A 45 11.803 0.149 -5.625 1.00 0.00 C ATOM 657 O GLU A 45 12.248 0.978 -6.419 1.00 0.00 O ATOM 658 CB GLU A 45 11.825 -2.308 -6.100 1.00 0.00 C ATOM 659 CG GLU A 45 12.619 -3.603 -6.123 1.00 0.00 C ATOM 660 CD GLU A 45 13.612 -3.658 -7.268 1.00 0.00 C ATOM 661 OE1 GLU A 45 14.701 -3.060 -7.136 1.00 0.00 O ATOM 662 OE2 GLU A 45 13.301 -4.296 -8.295 1.00 0.00 O ATOM 0 H GLU A 45 12.422 -2.416 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 45 13.552 -1.074 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.864 -2.490 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.616 -2.001 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.152 -3.715 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.931 -4.445 -6.202 1.00 0.00 H new ATOM 669 N CYS A 46 10.677 0.330 -4.944 1.00 0.00 N ATOM 670 CA CYS A 46 9.880 1.542 -5.094 1.00 0.00 C ATOM 671 C CYS A 46 10.694 2.778 -4.726 1.00 0.00 C ATOM 672 O CYS A 46 10.877 3.680 -5.543 1.00 0.00 O ATOM 673 CB CYS A 46 8.626 1.464 -4.222 1.00 0.00 C ATOM 674 SG CYS A 46 7.237 2.445 -4.836 1.00 0.00 S ATOM 0 H CYS A 46 10.296 -0.347 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 46 9.582 1.624 -6.139 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.315 0.422 -4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.876 1.798 -3.215 1.00 0.00 H new ATOM 0 HG CYS A 46 6.639 3.024 -3.837 1.00 0.00 H new ATOM 680 N GLY A 47 11.180 2.813 -3.489 1.00 0.00 N ATOM 681 CA GLY A 47 11.967 3.944 -3.033 1.00 0.00 C ATOM 682 C GLY A 47 12.362 3.826 -1.574 1.00 0.00 C ATOM 683 O GLY A 47 13.453 4.237 -1.184 1.00 0.00 O ATOM 0 H GLY A 47 11.043 2.079 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.866 4.027 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.397 4.862 -3.179 1.00 0.00 H new ATOM 687 N GLY A 48 11.468 3.265 -0.765 1.00 0.00 N ATOM 688 CA GLY A 48 11.747 3.106 0.651 1.00 0.00 C ATOM 689 C GLY A 48 10.529 3.371 1.514 1.00 0.00 C ATOM 690 O GLY A 48 10.601 4.120 2.488 1.00 0.00 O ATOM 0 H GLY A 48 10.557 2.918 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.107 2.094 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.548 3.787 0.939 1.00 0.00 H new ATOM 694 N VAL A 49 9.406 2.756 1.155 1.00 0.00 N ATOM 695 CA VAL A 49 8.167 2.930 1.903 1.00 0.00 C ATOM 696 C VAL A 49 7.980 1.812 2.923 1.00 0.00 C ATOM 697 O VAL A 49 8.617 0.761 2.833 1.00 0.00 O ATOM 698 CB VAL A 49 6.945 2.965 0.966 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.017 4.170 0.040 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.849 1.674 0.168 1.00 0.00 C ATOM 0 H VAL A 49 9.329 2.133 0.351 1.00 0.00 H new ATOM 0 HA VAL A 49 8.243 3.885 2.424 1.00 0.00 H new ATOM 0 HB VAL A 49 6.045 3.057 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.146 4.178 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.034 5.084 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.923 4.112 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.980 1.716 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.751 1.549 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.747 0.831 0.851 1.00 0.00 H new ATOM 710 N HIS A 50 7.101 2.044 3.894 1.00 0.00 N ATOM 711 CA HIS A 50 6.829 1.055 4.931 1.00 0.00 C ATOM 712 C HIS A 50 5.351 0.679 4.947 1.00 0.00 C ATOM 713 O HIS A 50 4.502 1.475 5.349 1.00 0.00 O ATOM 714 CB HIS A 50 7.245 1.594 6.299 1.00 0.00 C ATOM 715 CG HIS A 50 8.662 2.076 6.348 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.379 2.808 5.464 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.511 1.812 7.402 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.634 2.973 5.995 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.688 2.362 7.165 1.00 0.00 N flip ATOM 0 H HIS A 50 6.566 2.908 3.984 1.00 0.00 H new ATOM 0 HA HIS A 50 7.411 0.161 4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.581 2.414 6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.110 0.811 7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.254 1.244 8.284 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.445 3.514 5.532 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.500 2.322 7.780 1.00 0.00 H new ATOM 727 N ILE A 51 5.051 -0.538 4.506 1.00 0.00 N ATOM 728 CA ILE A 51 3.675 -1.020 4.470 1.00 0.00 C ATOM 729 C ILE A 51 3.268 -1.622 5.811 1.00 0.00 C ATOM 730 O ILE A 51 3.999 -2.427 6.391 1.00 0.00 O ATOM 731 CB ILE A 51 3.476 -2.075 3.366 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.935 -1.521 2.015 1.00 0.00 C ATOM 733 CG2 ILE A 51 2.019 -2.505 3.301 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.436 -2.587 1.065 1.00 0.00 C ATOM 0 H ILE A 51 5.742 -1.208 4.169 1.00 0.00 H new ATOM 0 HA ILE A 51 3.045 -0.157 4.255 1.00 0.00 H new ATOM 0 HB ILE A 51 4.081 -2.949 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.105 -0.990 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.728 -0.791 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.894 -3.251 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.723 -2.933 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.394 -1.640 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.745 -2.123 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.286 -3.102 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.639 -3.304 0.870 1.00 0.00 H new ATOM 746 N HIS A 52 2.097 -1.229 6.300 1.00 0.00 N ATOM 747 CA HIS A 52 1.591 -1.732 7.572 1.00 0.00 C ATOM 748 C HIS A 52 0.428 -2.694 7.352 1.00 0.00 C ATOM 749 O HIS A 52 -0.587 -2.332 6.758 1.00 0.00 O ATOM 750 CB HIS A 52 1.146 -0.572 8.462 1.00 0.00 C ATOM 751 CG HIS A 52 2.284 0.170 9.093 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.705 -0.057 10.387 1.00 0.00 N ATOM 753 CD2 HIS A 52 3.093 1.136 8.601 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.722 0.741 10.663 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.977 1.475 9.595 1.00 0.00 N ATOM 0 H HIS A 52 1.480 -0.563 5.835 1.00 0.00 H new ATOM 0 HA HIS A 52 2.398 -2.272 8.067 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.554 0.124 7.868 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.494 -0.956 9.247 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.296 -0.735 11.030 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.051 1.562 7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.254 0.785 11.602 1.00 0.00 H new ATOM 763 N PHE A 53 0.584 -3.923 7.834 1.00 0.00 N ATOM 764 CA PHE A 53 -0.454 -4.938 7.689 1.00 0.00 C ATOM 765 C PHE A 53 -1.038 -5.318 9.047 1.00 0.00 C ATOM 766 O PHE A 53 -0.320 -5.510 10.028 1.00 0.00 O ATOM 767 CB PHE A 53 0.114 -6.181 6.999 1.00 0.00 C ATOM 768 CG PHE A 53 0.054 -6.116 5.500 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.120 -6.413 4.828 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.171 -5.756 4.764 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.177 -6.353 3.447 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.120 -5.695 3.384 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.056 -5.993 2.726 1.00 0.00 C ATOM 0 H PHE A 53 1.418 -4.240 8.328 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.252 -4.521 7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.151 -6.316 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.436 -7.058 7.339 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.000 -6.694 5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.093 -5.520 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.098 -6.588 2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.999 -5.415 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.099 -5.945 1.648 1.00 0.00 H new ATOM 783 N PRO A 54 -2.373 -5.428 9.105 1.00 0.00 N ATOM 784 CA PRO A 54 -3.085 -5.784 10.336 1.00 0.00 C ATOM 785 C PRO A 54 -2.849 -7.235 10.742 1.00 0.00 C ATOM 786 O PRO A 54 -2.608 -8.096 9.896 1.00 0.00 O ATOM 787 CB PRO A 54 -4.556 -5.562 9.973 1.00 0.00 C ATOM 788 CG PRO A 54 -4.608 -5.721 8.493 1.00 0.00 C ATOM 789 CD PRO A 54 -3.291 -5.213 7.974 1.00 0.00 C ATOM 0 HA PRO A 54 -2.749 -5.192 11.187 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.201 -6.286 10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.894 -4.571 10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.759 -6.765 8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.438 -5.156 8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.971 -5.760 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.347 -4.160 7.697 1.00 0.00 H new ATOM 797 N VAL A 55 -2.921 -7.500 12.042 1.00 0.00 N ATOM 798 CA VAL A 55 -2.717 -8.848 12.561 1.00 0.00 C ATOM 799 C VAL A 55 -3.940 -9.723 12.311 1.00 0.00 C ATOM 800 O VAL A 55 -5.076 -9.270 12.439 1.00 0.00 O ATOM 801 CB VAL A 55 -2.413 -8.828 14.070 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.275 -10.246 14.606 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.156 -8.019 14.350 1.00 0.00 C ATOM 0 H VAL A 55 -3.119 -6.799 12.756 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.861 -9.266 12.031 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.247 -8.350 14.584 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.060 -10.212 15.674 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.205 -10.790 14.440 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.461 -10.753 14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.957 -8.016 15.422 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.312 -8.465 13.825 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.298 -6.995 14.004 1.00 0.00 H new ATOM 813 N GLU A 56 -3.698 -10.980 11.953 1.00 0.00 N ATOM 814 CA GLU A 56 -4.780 -11.919 11.685 1.00 0.00 C ATOM 815 C GLU A 56 -5.711 -12.036 12.889 1.00 0.00 C ATOM 816 O GLU A 56 -5.298 -11.828 14.029 1.00 0.00 O ATOM 817 CB GLU A 56 -4.214 -13.296 11.329 1.00 0.00 C ATOM 818 CG GLU A 56 -3.482 -13.328 9.998 1.00 0.00 C ATOM 819 CD GLU A 56 -2.143 -12.619 10.052 1.00 0.00 C ATOM 820 OE1 GLU A 56 -1.292 -13.020 10.873 1.00 0.00 O ATOM 821 OE2 GLU A 56 -1.946 -11.663 9.272 1.00 0.00 O ATOM 0 H GLU A 56 -2.763 -11.371 11.842 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.354 -11.540 10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.531 -13.614 12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.029 -14.019 11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.328 -14.364 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.105 -12.863 9.234 1.00 0.00 H new ATOM 828 N GLY A 57 -6.971 -12.369 12.626 1.00 0.00 N ATOM 829 CA GLY A 57 -7.941 -12.507 13.696 1.00 0.00 C ATOM 830 C GLY A 57 -8.510 -11.173 14.138 1.00 0.00 C ATOM 831 O GLY A 57 -9.725 -11.014 14.247 1.00 0.00 O ATOM 0 H GLY A 57 -7.337 -12.546 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.754 -13.153 13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.470 -12.998 14.548 1.00 0.00 H new ATOM 835 N SER A 58 -7.627 -10.212 14.394 1.00 0.00 N ATOM 836 CA SER A 58 -8.048 -8.886 14.833 1.00 0.00 C ATOM 837 C SER A 58 -9.333 -8.462 14.125 1.00 0.00 C ATOM 838 O SER A 58 -10.303 -8.060 14.765 1.00 0.00 O ATOM 839 CB SER A 58 -6.943 -7.863 14.565 1.00 0.00 C ATOM 840 OG SER A 58 -7.391 -6.545 14.838 1.00 0.00 O ATOM 0 H SER A 58 -6.617 -10.327 14.305 1.00 0.00 H new ATOM 0 HA SER A 58 -8.241 -8.929 15.905 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.075 -8.091 15.183 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.622 -7.933 13.526 1.00 0.00 H new ATOM 0 HG SER A 58 -6.666 -5.910 14.660 1.00 0.00 H new ATOM 846 N GLY A 59 -9.328 -8.554 12.799 1.00 0.00 N ATOM 847 CA GLY A 59 -10.496 -8.177 12.025 1.00 0.00 C ATOM 848 C GLY A 59 -10.287 -6.891 11.250 1.00 0.00 C ATOM 849 O GLY A 59 -11.198 -6.070 11.139 1.00 0.00 O ATOM 0 H GLY A 59 -8.536 -8.883 12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.743 -8.980 11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.349 -8.060 12.693 1.00 0.00 H new ATOM 853 N SER A 60 -9.085 -6.713 10.713 1.00 0.00 N ATOM 854 CA SER A 60 -8.757 -5.516 9.949 1.00 0.00 C ATOM 855 C SER A 60 -8.220 -5.881 8.568 1.00 0.00 C ATOM 856 O SER A 60 -7.136 -6.451 8.443 1.00 0.00 O ATOM 857 CB SER A 60 -7.727 -4.670 10.702 1.00 0.00 C ATOM 858 OG SER A 60 -7.413 -3.490 9.983 1.00 0.00 O ATOM 0 H SER A 60 -8.321 -7.384 10.793 1.00 0.00 H new ATOM 0 HA SER A 60 -9.671 -4.936 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.116 -4.408 11.686 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.821 -5.253 10.863 1.00 0.00 H new ATOM 0 HG SER A 60 -6.754 -2.966 10.485 1.00 0.00 H new ATOM 864 N ASP A 61 -8.986 -5.548 7.535 1.00 0.00 N ATOM 865 CA ASP A 61 -8.588 -5.840 6.164 1.00 0.00 C ATOM 866 C ASP A 61 -8.142 -4.570 5.445 1.00 0.00 C ATOM 867 O ASP A 61 -8.504 -4.336 4.292 1.00 0.00 O ATOM 868 CB ASP A 61 -9.744 -6.492 5.402 1.00 0.00 C ATOM 869 CG ASP A 61 -10.209 -7.782 6.050 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.098 -7.720 6.925 1.00 0.00 O ATOM 871 OD2 ASP A 61 -9.683 -8.853 5.681 1.00 0.00 O ATOM 0 H ASP A 61 -9.886 -5.076 7.622 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.747 -6.533 6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.579 -5.794 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.432 -6.695 4.378 1.00 0.00 H new ATOM 876 N THR A 62 -7.355 -3.752 6.136 1.00 0.00 N ATOM 877 CA THR A 62 -6.861 -2.505 5.565 1.00 0.00 C ATOM 878 C THR A 62 -5.337 -2.455 5.588 1.00 0.00 C ATOM 879 O THR A 62 -4.709 -2.823 6.580 1.00 0.00 O ATOM 880 CB THR A 62 -7.415 -1.282 6.323 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.841 -1.239 6.205 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.816 0.006 5.780 1.00 0.00 C ATOM 0 H THR A 62 -7.046 -3.930 7.092 1.00 0.00 H new ATOM 0 HA THR A 62 -7.207 -2.471 4.532 1.00 0.00 H new ATOM 0 HB THR A 62 -7.141 -1.377 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.186 -0.461 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.221 0.856 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.733 -0.019 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.064 0.106 4.723 1.00 0.00 H new ATOM 890 N VAL A 63 -4.748 -1.995 4.488 1.00 0.00 N ATOM 891 CA VAL A 63 -3.297 -1.895 4.383 1.00 0.00 C ATOM 892 C VAL A 63 -2.849 -0.440 4.334 1.00 0.00 C ATOM 893 O VAL A 63 -3.021 0.241 3.322 1.00 0.00 O ATOM 894 CB VAL A 63 -2.773 -2.625 3.131 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.258 -2.533 3.055 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.230 -4.076 3.132 1.00 0.00 C ATOM 0 H VAL A 63 -5.253 -1.686 3.658 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.882 -2.370 5.272 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.186 -2.139 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.906 -3.054 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.959 -1.486 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.821 -2.993 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.852 -4.577 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.847 -4.577 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.319 -4.114 3.135 1.00 0.00 H new ATOM 906 N VAL A 64 -2.273 0.034 5.434 1.00 0.00 N ATOM 907 CA VAL A 64 -1.798 1.410 5.517 1.00 0.00 C ATOM 908 C VAL A 64 -0.329 1.509 5.121 1.00 0.00 C ATOM 909 O VAL A 64 0.539 0.923 5.769 1.00 0.00 O ATOM 910 CB VAL A 64 -1.976 1.982 6.936 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.333 3.355 7.044 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.451 2.043 7.304 1.00 0.00 C ATOM 0 H VAL A 64 -2.124 -0.515 6.281 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.399 1.994 4.821 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.476 1.318 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.469 3.742 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.268 3.276 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.800 4.033 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.559 2.449 8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.977 2.683 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.876 1.040 7.271 1.00 0.00 H new ATOM 922 N ILE A 65 -0.058 2.254 4.055 1.00 0.00 N ATOM 923 CA ILE A 65 1.307 2.431 3.574 1.00 0.00 C ATOM 924 C ILE A 65 1.863 3.790 3.986 1.00 0.00 C ATOM 925 O ILE A 65 1.169 4.804 3.912 1.00 0.00 O ATOM 926 CB ILE A 65 1.385 2.300 2.041 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.811 0.955 1.592 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.824 2.453 1.570 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.561 0.871 0.103 1.00 0.00 C ATOM 0 H ILE A 65 -0.765 2.745 3.508 1.00 0.00 H new ATOM 0 HA ILE A 65 1.907 1.643 4.029 1.00 0.00 H new ATOM 0 HB ILE A 65 0.790 3.095 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.499 0.161 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.125 0.774 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.864 2.358 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.200 3.433 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.440 1.677 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.154 -0.110 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.151 1.643 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.499 1.020 -0.432 1.00 0.00 H new ATOM 941 N ARG A 66 3.119 3.802 4.420 1.00 0.00 N ATOM 942 CA ARG A 66 3.770 5.036 4.843 1.00 0.00 C ATOM 943 C ARG A 66 4.966 5.355 3.950 1.00 0.00 C ATOM 944 O ARG A 66 5.714 4.462 3.555 1.00 0.00 O ATOM 945 CB ARG A 66 4.223 4.925 6.300 1.00 0.00 C ATOM 946 CG ARG A 66 3.167 5.363 7.302 1.00 0.00 C ATOM 947 CD ARG A 66 3.363 4.687 8.649 1.00 0.00 C ATOM 948 NE ARG A 66 4.323 5.402 9.485 1.00 0.00 N ATOM 949 CZ ARG A 66 4.021 6.489 10.186 1.00 0.00 C ATOM 950 NH1 ARG A 66 2.792 6.984 10.150 1.00 0.00 N ATOM 951 NH2 ARG A 66 4.950 7.084 10.924 1.00 0.00 N ATOM 0 H ARG A 66 3.706 2.971 4.488 1.00 0.00 H new ATOM 0 HA ARG A 66 3.047 5.847 4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.502 3.892 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.118 5.531 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.209 6.445 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.176 5.125 6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.406 4.626 9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.707 3.664 8.495 1.00 0.00 H new ATOM 0 HE ARG A 66 5.278 5.047 9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.076 6.530 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.562 7.819 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.897 6.707 10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.717 7.919 11.462 1.00 0.00 H new ATOM 965 N GLY A 67 5.138 6.636 3.635 1.00 0.00 N ATOM 966 CA GLY A 67 6.243 7.049 2.791 1.00 0.00 C ATOM 967 C GLY A 67 5.879 8.209 1.886 1.00 0.00 C ATOM 968 O GLY A 67 4.814 8.815 2.015 1.00 0.00 O ATOM 0 H GLY A 67 4.532 7.394 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.089 7.333 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.566 6.205 2.182 1.00 0.00 H new ATOM 972 N PRO A 68 6.776 8.535 0.945 1.00 0.00 N ATOM 973 CA PRO A 68 6.566 9.632 -0.004 1.00 0.00 C ATOM 974 C PRO A 68 5.471 9.322 -1.017 1.00 0.00 C ATOM 975 O PRO A 68 5.610 8.414 -1.838 1.00 0.00 O ATOM 976 CB PRO A 68 7.922 9.762 -0.704 1.00 0.00 C ATOM 977 CG PRO A 68 8.540 8.412 -0.582 1.00 0.00 C ATOM 978 CD PRO A 68 8.066 7.856 0.733 1.00 0.00 C ATOM 0 HA PRO A 68 6.240 10.544 0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.803 10.050 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.540 10.525 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.239 7.769 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.628 8.477 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.948 6.773 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.770 8.070 1.537 1.00 0.00 H new ATOM 986 N SER A 69 4.382 10.081 -0.956 1.00 0.00 N ATOM 987 CA SER A 69 3.261 9.883 -1.868 1.00 0.00 C ATOM 988 C SER A 69 3.751 9.477 -3.254 1.00 0.00 C ATOM 989 O SER A 69 3.079 8.737 -3.971 1.00 0.00 O ATOM 990 CB SER A 69 2.423 11.161 -1.965 1.00 0.00 C ATOM 991 OG SER A 69 3.250 12.301 -2.121 1.00 0.00 O ATOM 0 H SER A 69 4.252 10.838 -0.285 1.00 0.00 H new ATOM 0 HA SER A 69 2.641 9.079 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.737 11.087 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.814 11.269 -1.068 1.00 0.00 H new ATOM 0 HG SER A 69 2.692 13.104 -2.182 1.00 0.00 H new ATOM 997 N SER A 70 4.931 9.968 -3.625 1.00 0.00 N ATOM 998 CA SER A 70 5.512 9.660 -4.926 1.00 0.00 C ATOM 999 C SER A 70 5.702 8.156 -5.093 1.00 0.00 C ATOM 1000 O SER A 70 5.317 7.579 -6.111 1.00 0.00 O ATOM 1001 CB SER A 70 6.853 10.377 -5.091 1.00 0.00 C ATOM 1002 OG SER A 70 6.665 11.757 -5.349 1.00 0.00 O ATOM 0 H SER A 70 5.502 10.580 -3.042 1.00 0.00 H new ATOM 0 HA SER A 70 4.824 10.009 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.450 10.251 -4.188 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.413 9.924 -5.909 1.00 0.00 H new ATOM 0 HG SER A 70 7.537 12.193 -5.449 1.00 0.00 H new ATOM 1008 N ASP A 71 6.300 7.526 -4.088 1.00 0.00 N ATOM 1009 CA ASP A 71 6.541 6.088 -4.121 1.00 0.00 C ATOM 1010 C ASP A 71 5.313 5.319 -3.646 1.00 0.00 C ATOM 1011 O ASP A 71 5.058 4.199 -4.089 1.00 0.00 O ATOM 1012 CB ASP A 71 7.748 5.732 -3.254 1.00 0.00 C ATOM 1013 CG ASP A 71 9.031 6.365 -3.757 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.177 6.513 -4.989 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.888 6.716 -2.919 1.00 0.00 O ATOM 0 H ASP A 71 6.627 7.989 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 71 6.748 5.803 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.564 6.056 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.867 4.649 -3.229 1.00 0.00 H new ATOM 1020 N VAL A 72 4.555 5.927 -2.739 1.00 0.00 N ATOM 1021 CA VAL A 72 3.353 5.300 -2.203 1.00 0.00 C ATOM 1022 C VAL A 72 2.347 5.003 -3.310 1.00 0.00 C ATOM 1023 O VAL A 72 1.756 3.925 -3.350 1.00 0.00 O ATOM 1024 CB VAL A 72 2.681 6.190 -1.141 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.455 5.500 -0.562 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.671 6.546 -0.042 1.00 0.00 C ATOM 0 H VAL A 72 4.752 6.853 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 72 3.665 4.365 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 72 2.355 7.114 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.994 6.145 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.739 5.301 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.752 4.560 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.180 7.175 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.029 5.634 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.515 7.085 -0.473 1.00 0.00 H new ATOM 1036 N GLU A 73 2.160 5.967 -4.206 1.00 0.00 N ATOM 1037 CA GLU A 73 1.225 5.807 -5.314 1.00 0.00 C ATOM 1038 C GLU A 73 1.613 4.615 -6.185 1.00 0.00 C ATOM 1039 O GLU A 73 0.757 3.973 -6.794 1.00 0.00 O ATOM 1040 CB GLU A 73 1.183 7.079 -6.162 1.00 0.00 C ATOM 1041 CG GLU A 73 2.408 7.267 -7.041 1.00 0.00 C ATOM 1042 CD GLU A 73 2.106 8.046 -8.306 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.623 9.193 -8.196 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.351 7.509 -9.406 1.00 0.00 O ATOM 0 H GLU A 73 2.643 6.865 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 73 0.235 5.624 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.294 7.056 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.084 7.941 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.180 7.787 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.812 6.290 -7.308 1.00 0.00 H new ATOM 1051 N LYS A 74 2.908 4.326 -6.240 1.00 0.00 N ATOM 1052 CA LYS A 74 3.411 3.212 -7.035 1.00 0.00 C ATOM 1053 C LYS A 74 3.333 1.906 -6.252 1.00 0.00 C ATOM 1054 O LYS A 74 2.999 0.858 -6.805 1.00 0.00 O ATOM 1055 CB LYS A 74 4.856 3.476 -7.464 1.00 0.00 C ATOM 1056 CG LYS A 74 5.013 4.700 -8.350 1.00 0.00 C ATOM 1057 CD LYS A 74 6.476 5.000 -8.631 1.00 0.00 C ATOM 1058 CE LYS A 74 7.082 3.975 -9.579 1.00 0.00 C ATOM 1059 NZ LYS A 74 6.912 4.369 -11.005 1.00 0.00 N ATOM 0 H LYS A 74 3.629 4.848 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 74 2.786 3.121 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.473 3.600 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.234 2.602 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.486 4.540 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.550 5.561 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.568 5.996 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.034 5.006 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.143 3.859 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.614 3.005 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.338 3.645 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.899 4.455 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.380 5.283 -11.171 1.00 0.00 H new ATOM 1073 N ALA A 75 3.641 1.976 -4.961 1.00 0.00 N ATOM 1074 CA ALA A 75 3.603 0.798 -4.102 1.00 0.00 C ATOM 1075 C ALA A 75 2.183 0.255 -3.978 1.00 0.00 C ATOM 1076 O ALA A 75 1.977 -0.954 -3.868 1.00 0.00 O ATOM 1077 CB ALA A 75 4.164 1.130 -2.727 1.00 0.00 C ATOM 0 H ALA A 75 3.919 2.835 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 75 4.221 0.025 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.130 0.242 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.197 1.465 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.568 1.921 -2.272 1.00 0.00 H new ATOM 1083 N LYS A 76 1.207 1.156 -3.998 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.195 0.768 -3.889 1.00 0.00 C ATOM 1085 C LYS A 76 -0.666 0.068 -5.159 1.00 0.00 C ATOM 1086 O LYS A 76 -1.185 -1.048 -5.110 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.067 1.996 -3.618 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.554 1.694 -3.598 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.381 2.945 -3.844 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.841 2.605 -4.107 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.102 2.363 -5.554 1.00 0.00 N ATOM 0 H LYS A 76 1.361 2.160 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.289 0.072 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.780 2.430 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.868 2.748 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.785 0.949 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.825 1.261 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.310 3.605 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.974 3.490 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.116 1.719 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.473 3.420 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.107 2.134 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.863 3.217 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.518 1.568 -5.884 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.480 0.728 -6.297 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.883 0.168 -7.582 1.00 0.00 C ATOM 1107 C LYS A 77 -0.258 -1.206 -7.797 1.00 0.00 C ATOM 1108 O LYS A 77 -0.831 -2.060 -8.472 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.479 1.108 -8.720 1.00 0.00 C ATOM 1110 CG LYS A 77 1.005 1.071 -9.042 1.00 0.00 C ATOM 1111 CD LYS A 77 1.303 1.730 -10.378 1.00 0.00 C ATOM 1112 CE LYS A 77 1.088 3.235 -10.318 1.00 0.00 C ATOM 1113 NZ LYS A 77 1.681 3.927 -11.496 1.00 0.00 N ATOM 0 H LYS A 77 -0.052 1.652 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.967 0.057 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.043 0.845 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.759 2.127 -8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.562 1.577 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.348 0.037 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.333 1.520 -10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.662 1.300 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.020 3.448 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.532 3.629 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.513 4.950 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.705 3.745 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.240 3.569 -12.367 1.00 0.00 H new ATOM 1127 N GLN A 78 0.921 -1.412 -7.218 1.00 0.00 N ATOM 1128 CA GLN A 78 1.623 -2.684 -7.346 1.00 0.00 C ATOM 1129 C GLN A 78 0.981 -3.751 -6.466 1.00 0.00 C ATOM 1130 O GLN A 78 0.887 -4.916 -6.854 1.00 0.00 O ATOM 1131 CB GLN A 78 3.096 -2.517 -6.972 1.00 0.00 C ATOM 1132 CG GLN A 78 3.945 -1.925 -8.086 1.00 0.00 C ATOM 1133 CD GLN A 78 5.431 -2.101 -7.846 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.941 -3.221 -7.829 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.135 -0.992 -7.657 1.00 0.00 N ATOM 0 H GLN A 78 1.410 -0.715 -6.656 1.00 0.00 H new ATOM 0 HA GLN A 78 1.553 -3.006 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.168 -1.877 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.504 -3.489 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.676 -2.396 -9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.720 -0.863 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.671 -0.084 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.140 -1.048 -7.489 1.00 0.00 H new ATOM 1144 N LEU A 79 0.540 -3.347 -5.280 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.093 -4.269 -4.344 1.00 0.00 C ATOM 1146 C LEU A 79 -1.474 -4.686 -4.841 1.00 0.00 C ATOM 1147 O LEU A 79 -1.787 -5.875 -4.914 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.210 -3.625 -2.962 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.160 -4.581 -1.770 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.273 -4.770 -1.297 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.033 -4.065 -0.635 1.00 0.00 C ATOM 0 H LEU A 79 0.609 -2.387 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 79 0.532 -5.159 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.594 -2.898 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.148 -3.072 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.547 -5.549 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.289 -5.453 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.872 -5.184 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.687 -3.808 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.985 -4.758 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.676 -3.085 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.064 -3.981 -0.978 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.296 -3.701 -5.184 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.644 -3.964 -5.677 1.00 0.00 C ATOM 1165 C LEU A 80 -3.610 -4.914 -6.870 1.00 0.00 C ATOM 1166 O LEU A 80 -4.479 -5.776 -7.015 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.328 -2.655 -6.072 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.155 -1.974 -4.981 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.264 -1.131 -4.082 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.255 -1.121 -5.598 1.00 0.00 C ATOM 0 H LEU A 80 -2.053 -2.712 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.213 -4.436 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.563 -1.956 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.979 -2.851 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.622 -2.747 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.871 -0.654 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.515 -1.768 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.767 -0.365 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.833 -0.644 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.809 -0.355 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.912 -1.752 -6.197 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.602 -4.752 -7.722 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.455 -5.597 -8.901 1.00 0.00 C ATOM 1184 C HIS A 81 -2.150 -7.037 -8.502 1.00 0.00 C ATOM 1185 O HIS A 81 -2.934 -7.948 -8.774 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.344 -5.059 -9.803 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.373 -5.625 -11.191 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.424 -5.430 -12.060 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.470 -6.382 -11.857 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -2.169 -6.043 -13.202 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.989 -6.629 -13.105 1.00 0.00 N ATOM 0 H HIS A 81 -1.876 -4.044 -7.617 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.397 -5.582 -9.449 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.427 -3.974 -9.860 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.378 -5.281 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.481 -6.727 -11.478 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.815 -6.062 -14.067 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.537 -7.176 -13.838 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.005 -7.239 -7.857 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.597 -8.569 -7.421 1.00 0.00 C ATOM 1201 C LEU A 82 -1.718 -9.259 -6.652 1.00 0.00 C ATOM 1202 O LEU A 82 -2.205 -10.315 -7.058 1.00 0.00 O ATOM 1203 CB LEU A 82 0.655 -8.479 -6.548 1.00 0.00 C ATOM 1204 CG LEU A 82 1.859 -7.770 -7.171 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.856 -7.366 -6.096 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.524 -8.662 -8.209 1.00 0.00 C ATOM 0 H LEU A 82 -0.344 -6.498 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.373 -9.161 -8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.393 -7.963 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.956 -9.490 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 82 1.507 -6.866 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.706 -6.863 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.375 -6.690 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.203 -8.255 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.378 -8.142 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.862 -9.583 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.808 -8.901 -8.995 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.126 -8.655 -5.540 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.193 -9.209 -4.717 1.00 0.00 C ATOM 1220 C ALA A 83 -4.239 -9.913 -5.575 1.00 0.00 C ATOM 1221 O ALA A 83 -4.545 -11.085 -5.358 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.841 -8.112 -3.885 1.00 0.00 C ATOM 0 H ALA A 83 -1.733 -7.782 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.755 -9.948 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.636 -8.540 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.092 -7.656 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.259 -7.353 -4.546 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.784 -9.190 -6.548 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.798 -9.747 -7.436 1.00 0.00 C ATOM 1230 C GLU A 84 -5.200 -10.826 -8.334 1.00 0.00 C ATOM 1231 O GLU A 84 -5.757 -11.916 -8.466 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.418 -8.642 -8.293 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.223 -7.631 -7.495 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.640 -8.098 -7.220 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.849 -9.325 -7.120 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -9.537 -7.238 -7.105 1.00 0.00 O ATOM 0 H GLU A 84 -4.541 -8.218 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.575 -10.200 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.624 -8.121 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.064 -9.096 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.719 -7.437 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.255 -6.687 -8.039 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.063 -10.515 -8.948 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.391 -11.459 -9.834 1.00 0.00 C ATOM 1245 C GLU A 85 -3.263 -12.829 -9.174 1.00 0.00 C ATOM 1246 O GLU A 85 -3.722 -13.836 -9.712 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.007 -10.934 -10.218 1.00 0.00 C ATOM 1248 CG GLU A 85 -2.047 -9.665 -11.054 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.278 -9.943 -12.526 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -1.287 -10.184 -13.247 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.450 -9.919 -12.959 1.00 0.00 O ATOM 0 H GLU A 85 -3.588 -9.618 -8.849 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.995 -11.565 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.436 -10.743 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.475 -11.707 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.839 -9.015 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.108 -9.125 -10.933 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.634 -12.857 -8.003 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.444 -14.101 -7.267 1.00 0.00 C ATOM 1260 C LYS A 86 -3.786 -14.700 -6.855 1.00 0.00 C ATOM 1261 O LYS A 86 -3.992 -15.909 -6.955 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.581 -13.858 -6.028 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.089 -13.977 -6.292 1.00 0.00 C ATOM 1264 CD LYS A 86 0.641 -14.576 -5.102 1.00 0.00 C ATOM 1265 CE LYS A 86 1.163 -13.496 -4.167 1.00 0.00 C ATOM 1266 NZ LYS A 86 0.055 -12.720 -3.542 1.00 0.00 N ATOM 0 H LYS A 86 -2.247 -12.032 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.936 -14.808 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.794 -12.863 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.862 -14.572 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.077 -14.598 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.322 -12.992 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.032 -15.237 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.472 -15.187 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.771 -13.954 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.813 -12.819 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.340 -12.413 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.157 -11.886 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.793 -13.319 -3.474 1.00 0.00 H new