USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 705 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 47 TYR OH : rot 180:sc= -0.32 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -5.5! C(o=-5.8!,f=-3.7!) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 1 (180deg=-0.16) USER MOD Single : A 21 GLN : amide:sc= -6.18! C(o=-6.2!,f=-16!) USER MOD Single : A 23 CYS SG : rot 180:sc= -0.243 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.33) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0146) USER MOD Single : A 49 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-6.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.0115 USER MOD Single : A 68 CYS SG : rot -77:sc= -3.39! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 160:sc= -0.0932 USER MOD Single : A 97 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-6.5!) USER MOD Single : A 98 TYR OH : rot 30:sc= -0.443 USER MOD Single : A 101 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.017) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.11 K(o=-2.1,f=-1.3) USER MOD Single : A 117 MET CE :methyl 169:sc= -3.23! (180deg=-4.14!) USER MOD Single : A 119 SER OG : rot -22:sc= -0.586 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.425 8.611 8.434 1.00 0.00 N ATOM 224 CA VAL A 17 4.035 7.867 9.619 1.00 0.00 C ATOM 225 C VAL A 17 3.148 6.690 9.208 1.00 0.00 C ATOM 226 O VAL A 17 2.730 6.596 8.055 1.00 0.00 O ATOM 227 CB VAL A 17 3.360 8.802 10.625 1.00 0.00 C ATOM 228 CG1 VAL A 17 1.941 9.158 10.176 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.353 8.187 12.026 1.00 0.00 C ATOM 0 HA VAL A 17 4.912 7.454 10.117 1.00 0.00 H new ATOM 0 HB VAL A 17 3.940 9.724 10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.484 9.823 10.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.980 9.657 9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.347 8.248 10.092 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.868 8.872 12.722 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.808 7.243 12.006 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.378 8.007 12.350 1.00 0.00 H new ATOM 239 N ILE A 18 2.888 5.821 10.174 1.00 0.00 N ATOM 240 CA ILE A 18 2.058 4.654 9.927 1.00 0.00 C ATOM 241 C ILE A 18 0.599 4.995 10.238 1.00 0.00 C ATOM 242 O ILE A 18 0.314 5.677 11.221 1.00 0.00 O ATOM 243 CB ILE A 18 2.586 3.447 10.705 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.934 2.983 10.148 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.556 2.317 10.729 1.00 0.00 C ATOM 246 CD1 ILE A 18 3.825 2.643 8.661 1.00 0.00 C ATOM 0 H ILE A 18 3.237 5.902 11.129 1.00 0.00 H new ATOM 0 HA ILE A 18 2.102 4.371 8.875 1.00 0.00 H new ATOM 0 HB ILE A 18 2.752 3.752 11.738 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.680 3.765 10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.278 2.109 10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.957 1.471 11.288 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.642 2.668 11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.334 2.005 9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.797 2.316 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.096 1.844 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.504 3.526 8.108 1.00 0.00 H new ATOM 258 N ILE A 19 -0.285 4.506 9.381 1.00 0.00 N ATOM 259 CA ILE A 19 -1.707 4.750 9.552 1.00 0.00 C ATOM 260 C ILE A 19 -2.410 3.433 9.886 1.00 0.00 C ATOM 261 O ILE A 19 -3.413 3.424 10.598 1.00 0.00 O ATOM 262 CB ILE A 19 -2.280 5.459 8.323 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.714 4.863 7.033 1.00 0.00 C ATOM 264 CG2 ILE A 19 -2.051 6.970 8.405 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.496 5.654 6.551 1.00 0.00 C ATOM 0 H ILE A 19 -0.044 3.942 8.566 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.880 5.425 10.390 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.358 5.297 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.433 3.823 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.482 4.865 6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.468 7.450 7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.540 7.364 9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.982 7.174 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.113 5.209 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.785 6.687 6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.280 5.630 7.316 1.00 0.00 H new ATOM 277 N LYS A 20 -1.856 2.352 9.355 1.00 0.00 N ATOM 278 CA LYS A 20 -2.418 1.033 9.588 1.00 0.00 C ATOM 279 C LYS A 20 -1.344 -0.026 9.329 1.00 0.00 C ATOM 280 O LYS A 20 -0.461 0.171 8.497 1.00 0.00 O ATOM 281 CB LYS A 20 -3.688 0.837 8.757 1.00 0.00 C ATOM 282 CG LYS A 20 -4.349 -0.506 9.075 1.00 0.00 C ATOM 283 CD LYS A 20 -5.871 -0.409 8.958 1.00 0.00 C ATOM 284 CE LYS A 20 -6.481 -1.763 8.591 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.323 -2.269 9.698 1.00 0.00 N ATOM 0 H LYS A 20 -1.024 2.363 8.765 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.726 0.928 10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.388 1.648 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.443 0.884 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.976 -1.270 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.077 -0.819 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.290 -0.061 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.135 0.330 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.080 -1.665 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.688 -2.479 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.206 -3.299 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.035 -1.815 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.321 -2.049 9.504 1.00 0.00 H new ATOM 299 N GLN A 21 -1.457 -1.127 10.059 1.00 0.00 N ATOM 300 CA GLN A 21 -0.507 -2.217 9.919 1.00 0.00 C ATOM 301 C GLN A 21 -1.168 -3.548 10.283 1.00 0.00 C ATOM 302 O GLN A 21 -2.091 -3.584 11.096 1.00 0.00 O ATOM 303 CB GLN A 21 0.739 -1.972 10.773 1.00 0.00 C ATOM 304 CG GLN A 21 1.654 -0.932 10.123 1.00 0.00 C ATOM 305 CD GLN A 21 2.987 -0.834 10.866 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.049 -1.099 10.326 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.874 -0.441 12.132 1.00 0.00 N ATOM 0 H GLN A 21 -2.192 -1.287 10.748 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.190 -2.264 8.877 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.443 -1.631 11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.283 -2.907 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.833 -1.200 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.162 0.041 10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.954 -0.235 12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.707 -0.346 12.713 1.00 0.00 H new ATOM 316 N GLY A 22 -0.671 -4.609 9.664 1.00 0.00 N ATOM 317 CA GLY A 22 -1.202 -5.938 9.914 1.00 0.00 C ATOM 318 C GLY A 22 -0.809 -6.904 8.794 1.00 0.00 C ATOM 319 O GLY A 22 -0.147 -6.512 7.835 1.00 0.00 O ATOM 0 H GLY A 22 0.094 -4.575 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.828 -6.310 10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.288 -5.891 9.994 1.00 0.00 H new ATOM 323 N CYS A 23 -1.235 -8.149 8.954 1.00 0.00 N ATOM 324 CA CYS A 23 -0.935 -9.174 7.969 1.00 0.00 C ATOM 325 C CYS A 23 -2.124 -9.282 7.011 1.00 0.00 C ATOM 326 O CYS A 23 -3.267 -9.058 7.407 1.00 0.00 O ATOM 327 CB CYS A 23 -0.611 -10.516 8.629 1.00 0.00 C ATOM 328 SG CYS A 23 1.170 -10.597 9.039 1.00 0.00 S ATOM 0 H CYS A 23 -1.785 -8.470 9.751 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.042 -8.894 7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.207 -10.639 9.533 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.876 -11.334 7.959 1.00 0.00 H new ATOM 0 HG CYS A 23 1.434 -11.739 9.601 1.00 0.00 H new ATOM 334 N LEU A 24 -1.814 -9.624 5.770 1.00 0.00 N ATOM 335 CA LEU A 24 -2.842 -9.764 4.753 1.00 0.00 C ATOM 336 C LEU A 24 -2.508 -10.958 3.856 1.00 0.00 C ATOM 337 O LEU A 24 -1.379 -11.448 3.865 1.00 0.00 O ATOM 338 CB LEU A 24 -3.020 -8.451 3.987 1.00 0.00 C ATOM 339 CG LEU A 24 -3.683 -7.309 4.760 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.870 -6.080 3.868 1.00 0.00 C ATOM 341 CD2 LEU A 24 -4.999 -7.765 5.392 1.00 0.00 C ATOM 0 H LEU A 24 -0.865 -9.808 5.445 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.808 -9.972 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.040 -8.114 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.613 -8.651 3.094 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.020 -7.018 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.343 -5.283 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.899 -5.741 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.501 -6.340 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.449 -6.934 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.681 -8.100 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.806 -8.587 6.081 1.00 0.00 H new ATOM 353 N LEU A 25 -3.509 -11.392 3.105 1.00 0.00 N ATOM 354 CA LEU A 25 -3.335 -12.519 2.205 1.00 0.00 C ATOM 355 C LEU A 25 -3.270 -12.010 0.763 1.00 0.00 C ATOM 356 O LEU A 25 -4.301 -11.738 0.150 1.00 0.00 O ATOM 357 CB LEU A 25 -4.427 -13.565 2.439 1.00 0.00 C ATOM 358 CG LEU A 25 -4.666 -13.971 3.894 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.434 -14.663 4.480 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.102 -12.768 4.735 1.00 0.00 C ATOM 0 H LEU A 25 -4.444 -10.983 3.101 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.391 -13.026 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.362 -13.182 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.174 -14.459 1.870 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.482 -14.693 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.631 -14.941 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.209 -15.558 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.583 -13.983 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.265 -13.084 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.324 -12.005 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.027 -12.357 4.331 1.00 0.00 H new ATOM 372 N LYS A 26 -2.048 -11.897 0.265 1.00 0.00 N ATOM 373 CA LYS A 26 -1.834 -11.425 -1.093 1.00 0.00 C ATOM 374 C LYS A 26 -2.017 -12.590 -2.068 1.00 0.00 C ATOM 375 O LYS A 26 -1.168 -13.477 -2.147 1.00 0.00 O ATOM 376 CB LYS A 26 -0.476 -10.731 -1.212 1.00 0.00 C ATOM 377 CG LYS A 26 -0.374 -9.946 -2.521 1.00 0.00 C ATOM 378 CD LYS A 26 1.024 -9.349 -2.695 1.00 0.00 C ATOM 379 CE LYS A 26 1.577 -9.647 -4.091 1.00 0.00 C ATOM 380 NZ LYS A 26 2.975 -9.176 -4.205 1.00 0.00 N ATOM 0 H LYS A 26 -1.196 -12.124 0.777 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.575 -10.670 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.333 -10.057 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.321 -11.473 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.600 -10.602 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.117 -9.149 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.985 -8.271 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.695 -9.758 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.531 -10.718 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.960 -9.159 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.335 -9.386 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.010 -8.150 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.563 -9.661 -3.498 1.00 0.00 H new ATOM 394 N GLN A 27 -3.130 -12.551 -2.786 1.00 0.00 N ATOM 395 CA GLN A 27 -3.434 -13.593 -3.752 1.00 0.00 C ATOM 396 C GLN A 27 -2.158 -14.045 -4.465 1.00 0.00 C ATOM 397 O GLN A 27 -1.290 -13.229 -4.768 1.00 0.00 O ATOM 398 CB GLN A 27 -4.485 -13.118 -4.757 1.00 0.00 C ATOM 399 CG GLN A 27 -5.615 -14.140 -4.894 1.00 0.00 C ATOM 400 CD GLN A 27 -5.316 -15.141 -6.012 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.410 -14.966 -6.811 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.124 -16.197 -6.024 1.00 0.00 N ATOM 0 H GLN A 27 -3.832 -11.814 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.850 -14.447 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.894 -12.160 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.017 -12.955 -5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.746 -14.671 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.553 -13.625 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.863 -16.282 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.005 -16.922 -6.731 1.00 0.00 H new ATOM 543 N LYS A 35 -1.259 -16.622 0.572 1.00 0.00 N ATOM 544 CA LYS A 35 -0.043 -16.552 1.363 1.00 0.00 C ATOM 545 C LYS A 35 -0.110 -15.333 2.286 1.00 0.00 C ATOM 546 O LYS A 35 -0.342 -14.215 1.828 1.00 0.00 O ATOM 547 CB LYS A 35 1.189 -16.569 0.455 1.00 0.00 C ATOM 548 CG LYS A 35 2.044 -17.810 0.715 1.00 0.00 C ATOM 549 CD LYS A 35 2.651 -18.340 -0.586 1.00 0.00 C ATOM 550 CE LYS A 35 4.107 -18.764 -0.379 1.00 0.00 C ATOM 551 NZ LYS A 35 5.026 -17.675 -0.780 1.00 0.00 N ATOM 0 HA LYS A 35 0.048 -17.431 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.876 -16.551 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.783 -15.671 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.840 -17.567 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.434 -18.586 1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.069 -19.189 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.599 -17.570 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.272 -19.020 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.318 -19.660 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.914 -17.756 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.227 -17.747 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.583 -16.756 -0.579 1.00 0.00 H new ATOM 565 N VAL A 36 0.098 -15.590 3.569 1.00 0.00 N ATOM 566 CA VAL A 36 0.064 -14.527 4.560 1.00 0.00 C ATOM 567 C VAL A 36 1.291 -13.630 4.382 1.00 0.00 C ATOM 568 O VAL A 36 2.398 -14.122 4.171 1.00 0.00 O ATOM 569 CB VAL A 36 -0.040 -15.125 5.964 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.320 -14.088 7.030 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.435 -15.704 6.212 1.00 0.00 C ATOM 0 H VAL A 36 0.291 -16.518 3.945 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.818 -13.902 4.420 1.00 0.00 H new ATOM 0 HB VAL A 36 0.679 -15.941 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.238 -14.539 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.342 -13.744 6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.363 -13.242 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.482 -16.123 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.180 -14.914 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.638 -16.488 5.483 1.00 0.00 H new ATOM 581 N ARG A 37 1.052 -12.330 4.473 1.00 0.00 N ATOM 582 CA ARG A 37 2.123 -11.360 4.325 1.00 0.00 C ATOM 583 C ARG A 37 1.815 -10.100 5.137 1.00 0.00 C ATOM 584 O ARG A 37 0.651 -9.763 5.348 1.00 0.00 O ATOM 585 CB ARG A 37 2.319 -10.977 2.857 1.00 0.00 C ATOM 586 CG ARG A 37 3.806 -10.878 2.510 1.00 0.00 C ATOM 587 CD ARG A 37 4.242 -12.048 1.626 1.00 0.00 C ATOM 588 NE ARG A 37 4.680 -13.184 2.468 1.00 0.00 N ATOM 589 CZ ARG A 37 5.189 -14.325 1.984 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.327 -14.490 0.661 1.00 0.00 N ATOM 591 NH2 ARG A 37 5.559 -15.302 2.823 1.00 0.00 N ATOM 0 H ARG A 37 0.132 -11.926 4.647 1.00 0.00 H new ATOM 0 HA ARG A 37 3.040 -11.819 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.841 -11.719 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.831 -10.023 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.001 -9.937 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.397 -10.870 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.417 -12.357 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.055 -11.736 0.971 1.00 0.00 H new ATOM 0 HE ARG A 37 4.589 -13.092 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.044 -13.747 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.715 -15.359 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.453 -15.177 3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.947 -16.171 2.455 1.00 0.00 H new ATOM 605 N LYS A 38 2.878 -9.439 5.570 1.00 0.00 N ATOM 606 CA LYS A 38 2.735 -8.225 6.354 1.00 0.00 C ATOM 607 C LYS A 38 2.644 -7.023 5.412 1.00 0.00 C ATOM 608 O LYS A 38 3.413 -6.917 4.458 1.00 0.00 O ATOM 609 CB LYS A 38 3.863 -8.115 7.383 1.00 0.00 C ATOM 610 CG LYS A 38 3.365 -7.466 8.676 1.00 0.00 C ATOM 611 CD LYS A 38 4.328 -6.375 9.148 1.00 0.00 C ATOM 612 CE LYS A 38 3.676 -5.493 10.214 1.00 0.00 C ATOM 613 NZ LYS A 38 3.416 -6.273 11.445 1.00 0.00 N ATOM 0 H LYS A 38 3.842 -9.721 5.393 1.00 0.00 H new ATOM 0 HA LYS A 38 1.810 -8.251 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.260 -9.107 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.682 -7.527 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.376 -7.038 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.261 -8.225 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.231 -6.832 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.633 -5.762 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.326 -4.648 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.741 -5.082 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.068 -5.638 12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.701 -7.002 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.297 -6.728 11.760 1.00 0.00 H new ATOM 627 N PHE A 39 1.696 -6.147 5.713 1.00 0.00 N ATOM 628 CA PHE A 39 1.493 -4.957 4.904 1.00 0.00 C ATOM 629 C PHE A 39 1.432 -3.703 5.780 1.00 0.00 C ATOM 630 O PHE A 39 0.579 -3.598 6.660 1.00 0.00 O ATOM 631 CB PHE A 39 0.154 -5.127 4.184 1.00 0.00 C ATOM 632 CG PHE A 39 0.261 -5.836 2.832 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.220 -7.194 2.771 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.396 -5.107 1.692 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.319 -7.851 1.516 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.495 -5.765 0.437 1.00 0.00 C ATOM 637 CZ PHE A 39 0.454 -7.123 0.376 1.00 0.00 C ATOM 0 H PHE A 39 1.060 -6.238 6.506 1.00 0.00 H new ATOM 0 HA PHE A 39 2.319 -4.839 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.523 -5.691 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.293 -4.145 4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.112 -7.772 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.428 -4.029 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.287 -8.929 1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.603 -5.187 -0.469 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.529 -7.623 -0.578 1.00 0.00 H new ATOM 647 N ILE A 40 2.347 -2.785 5.508 1.00 0.00 N ATOM 648 CA ILE A 40 2.407 -1.543 6.260 1.00 0.00 C ATOM 649 C ILE A 40 2.046 -0.376 5.339 1.00 0.00 C ATOM 650 O ILE A 40 2.585 -0.258 4.239 1.00 0.00 O ATOM 651 CB ILE A 40 3.771 -1.392 6.937 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.026 -2.540 7.916 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.901 -0.025 7.610 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.469 -2.516 8.425 1.00 0.00 C ATOM 0 H ILE A 40 3.053 -2.876 4.777 1.00 0.00 H new ATOM 0 HA ILE A 40 1.675 -1.551 7.067 1.00 0.00 H new ATOM 0 HB ILE A 40 4.542 -1.446 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.338 -2.464 8.758 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.825 -3.492 7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.880 0.056 8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.794 0.761 6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.123 0.084 8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.624 -3.342 9.119 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.154 -2.616 7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.659 -1.572 8.936 1.00 0.00 H new ATOM 666 N LEU A 41 1.136 0.457 5.821 1.00 0.00 N ATOM 667 CA LEU A 41 0.696 1.611 5.055 1.00 0.00 C ATOM 668 C LEU A 41 1.254 2.884 5.693 1.00 0.00 C ATOM 669 O LEU A 41 1.209 3.043 6.912 1.00 0.00 O ATOM 670 CB LEU A 41 -0.827 1.611 4.913 1.00 0.00 C ATOM 671 CG LEU A 41 -1.439 2.846 4.249 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.241 2.809 2.732 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.913 3.000 4.631 1.00 0.00 C ATOM 0 H LEU A 41 0.691 0.356 6.733 1.00 0.00 H new ATOM 0 HA LEU A 41 1.088 1.565 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.118 0.732 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.265 1.502 5.905 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.916 3.727 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.685 3.698 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.175 2.783 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.721 1.920 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.324 3.885 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.467 2.119 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.999 3.106 5.712 1.00 0.00 H new ATOM 685 N ARG A 42 1.767 3.759 4.841 1.00 0.00 N ATOM 686 CA ARG A 42 2.333 5.014 5.306 1.00 0.00 C ATOM 687 C ARG A 42 1.965 6.150 4.350 1.00 0.00 C ATOM 688 O ARG A 42 2.223 6.064 3.150 1.00 0.00 O ATOM 689 CB ARG A 42 3.856 4.923 5.417 1.00 0.00 C ATOM 690 CG ARG A 42 4.461 4.289 4.163 1.00 0.00 C ATOM 691 CD ARG A 42 5.050 2.912 4.475 1.00 0.00 C ATOM 692 NE ARG A 42 6.226 3.053 5.362 1.00 0.00 N ATOM 693 CZ ARG A 42 6.787 2.038 6.033 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.282 0.802 5.923 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.852 2.260 6.816 1.00 0.00 N ATOM 0 H ARG A 42 1.803 3.624 3.831 1.00 0.00 H new ATOM 0 HA ARG A 42 1.919 5.218 6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.274 5.919 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.126 4.333 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.695 4.195 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.239 4.939 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.297 2.285 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.340 2.413 3.550 1.00 0.00 H new ATOM 0 HE ARG A 42 6.635 3.981 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.470 0.634 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.709 0.029 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.235 3.201 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.279 1.487 7.327 1.00 0.00 H new ATOM 709 N GLU A 43 1.367 7.188 4.916 1.00 0.00 N ATOM 710 CA GLU A 43 0.961 8.339 4.129 1.00 0.00 C ATOM 711 C GLU A 43 1.986 9.466 4.269 1.00 0.00 C ATOM 712 O GLU A 43 2.535 9.680 5.349 1.00 0.00 O ATOM 713 CB GLU A 43 -0.436 8.815 4.533 1.00 0.00 C ATOM 714 CG GLU A 43 -0.467 9.239 6.002 1.00 0.00 C ATOM 715 CD GLU A 43 -0.965 10.679 6.147 1.00 0.00 C ATOM 716 OE1 GLU A 43 -0.540 11.512 5.319 1.00 0.00 O ATOM 717 OE2 GLU A 43 -1.760 10.913 7.082 1.00 0.00 O ATOM 0 H GLU A 43 1.154 7.256 5.911 1.00 0.00 H new ATOM 0 HA GLU A 43 0.918 8.041 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.735 9.652 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.159 8.016 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.116 8.568 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.531 9.151 6.431 1.00 0.00 H new ATOM 724 N ASP A 44 2.212 10.158 3.162 1.00 0.00 N ATOM 725 CA ASP A 44 3.161 11.258 3.148 1.00 0.00 C ATOM 726 C ASP A 44 4.533 10.748 3.594 1.00 0.00 C ATOM 727 O ASP A 44 4.948 10.983 4.728 1.00 0.00 O ATOM 728 CB ASP A 44 2.734 12.367 4.111 1.00 0.00 C ATOM 729 CG ASP A 44 2.070 13.577 3.451 1.00 0.00 C ATOM 730 OD1 ASP A 44 1.963 13.556 2.205 1.00 0.00 O ATOM 731 OD2 ASP A 44 1.683 14.495 4.206 1.00 0.00 O ATOM 0 H ASP A 44 1.754 9.978 2.268 1.00 0.00 H new ATOM 0 HA ASP A 44 3.200 11.656 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.043 11.947 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.611 12.708 4.661 1.00 0.00 H new ATOM 736 N PRO A 45 5.217 10.042 2.654 1.00 0.00 N ATOM 737 CA PRO A 45 4.653 9.810 1.335 1.00 0.00 C ATOM 738 C PRO A 45 3.557 8.745 1.387 1.00 0.00 C ATOM 739 O PRO A 45 3.382 8.078 2.406 1.00 0.00 O ATOM 740 CB PRO A 45 5.834 9.405 0.468 1.00 0.00 C ATOM 741 CG PRO A 45 6.930 8.975 1.430 1.00 0.00 C ATOM 742 CD PRO A 45 6.540 9.448 2.821 1.00 0.00 C ATOM 0 HA PRO A 45 4.160 10.693 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.564 8.591 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.165 10.236 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.048 7.892 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.887 9.405 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.515 8.619 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.255 10.175 3.207 1.00 0.00 H new ATOM 750 N ALA A 46 2.846 8.618 0.276 1.00 0.00 N ATOM 751 CA ALA A 46 1.771 7.645 0.183 1.00 0.00 C ATOM 752 C ALA A 46 2.295 6.375 -0.490 1.00 0.00 C ATOM 753 O ALA A 46 2.404 6.315 -1.713 1.00 0.00 O ATOM 754 CB ALA A 46 0.590 8.259 -0.572 1.00 0.00 C ATOM 0 H ALA A 46 2.993 9.173 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 46 1.416 7.370 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.216 7.529 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.236 9.141 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.908 8.545 -1.575 1.00 0.00 H new ATOM 760 N TYR A 47 2.607 5.390 0.340 1.00 0.00 N ATOM 761 CA TYR A 47 3.118 4.125 -0.159 1.00 0.00 C ATOM 762 C TYR A 47 2.688 2.966 0.743 1.00 0.00 C ATOM 763 O TYR A 47 2.214 3.185 1.857 1.00 0.00 O ATOM 764 CB TYR A 47 4.643 4.243 -0.125 1.00 0.00 C ATOM 765 CG TYR A 47 5.255 4.772 -1.424 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.069 4.082 -2.605 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.992 5.938 -1.415 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.645 4.579 -3.828 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.568 6.436 -2.638 1.00 0.00 C ATOM 770 CZ TYR A 47 6.366 5.732 -3.784 1.00 0.00 C ATOM 771 OH TYR A 47 6.909 6.202 -4.938 1.00 0.00 O ATOM 0 H TYR A 47 2.516 5.443 1.355 1.00 0.00 H new ATOM 0 HA TYR A 47 2.736 3.925 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.928 4.903 0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.068 3.263 0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.492 3.169 -2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.137 6.478 -0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.508 4.049 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.147 7.348 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 47 7.395 7.033 -4.756 1.00 0.00 H new ATOM 781 N LEU A 48 2.870 1.759 0.229 1.00 0.00 N ATOM 782 CA LEU A 48 2.507 0.565 0.974 1.00 0.00 C ATOM 783 C LEU A 48 3.660 -0.439 0.913 1.00 0.00 C ATOM 784 O LEU A 48 3.959 -0.983 -0.149 1.00 0.00 O ATOM 785 CB LEU A 48 1.176 0.004 0.472 1.00 0.00 C ATOM 786 CG LEU A 48 0.785 -1.376 1.005 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.570 -2.480 0.296 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.948 -1.442 2.525 1.00 0.00 C ATOM 0 H LEU A 48 3.264 1.582 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 48 2.348 0.806 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.386 0.709 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.213 -0.046 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.270 -1.541 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.273 -3.450 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.360 -2.446 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.637 -2.331 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.664 -2.433 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.988 -1.247 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.309 -0.693 2.992 1.00 0.00 H new ATOM 800 N HIS A 49 4.276 -0.655 2.066 1.00 0.00 N ATOM 801 CA HIS A 49 5.389 -1.584 2.157 1.00 0.00 C ATOM 802 C HIS A 49 4.955 -2.832 2.930 1.00 0.00 C ATOM 803 O HIS A 49 4.401 -2.727 4.023 1.00 0.00 O ATOM 804 CB HIS A 49 6.616 -0.905 2.769 1.00 0.00 C ATOM 805 CG HIS A 49 7.405 -0.066 1.793 1.00 0.00 C ATOM 806 ND1 HIS A 49 7.188 1.290 1.623 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.412 -0.406 0.937 1.00 0.00 C ATOM 808 CE1 HIS A 49 8.032 1.736 0.703 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.788 0.684 0.279 1.00 0.00 N ATOM 0 H HIS A 49 4.025 -0.202 2.945 1.00 0.00 H new ATOM 0 HA HIS A 49 5.683 -1.902 1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.294 -0.274 3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.271 -1.670 3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.832 -1.394 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.107 2.754 0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.522 0.727 -0.428 1.00 0.00 H new ATOM 817 N TYR A 50 5.222 -3.983 2.331 1.00 0.00 N ATOM 818 CA TYR A 50 4.866 -5.248 2.949 1.00 0.00 C ATOM 819 C TYR A 50 6.110 -6.102 3.207 1.00 0.00 C ATOM 820 O TYR A 50 6.843 -6.434 2.277 1.00 0.00 O ATOM 821 CB TYR A 50 3.966 -5.970 1.944 1.00 0.00 C ATOM 822 CG TYR A 50 4.496 -5.951 0.508 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.334 -4.824 -0.272 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.136 -7.060 -0.006 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.832 -4.806 -1.623 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.634 -7.042 -1.357 1.00 0.00 C ATOM 827 CZ TYR A 50 5.458 -5.915 -2.098 1.00 0.00 C ATOM 828 OH TYR A 50 5.928 -5.898 -3.374 1.00 0.00 O ATOM 0 H TYR A 50 5.681 -4.066 1.424 1.00 0.00 H new ATOM 0 HA TYR A 50 4.374 -5.082 3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.842 -7.005 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.978 -5.511 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.834 -3.956 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.263 -7.941 0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.711 -3.931 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.136 -7.903 -1.772 1.00 0.00 H new ATOM 0 HH TYR A 50 6.353 -6.757 -3.578 1.00 0.00 H new ATOM 838 N TYR A 51 6.308 -6.433 4.474 1.00 0.00 N ATOM 839 CA TYR A 51 7.450 -7.242 4.866 1.00 0.00 C ATOM 840 C TYR A 51 7.015 -8.659 5.243 1.00 0.00 C ATOM 841 O TYR A 51 5.890 -8.868 5.694 1.00 0.00 O ATOM 842 CB TYR A 51 8.047 -6.559 6.099 1.00 0.00 C ATOM 843 CG TYR A 51 8.209 -5.045 5.954 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.120 -4.215 6.124 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.445 -4.509 5.655 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.273 -2.790 5.988 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.598 -3.084 5.519 1.00 0.00 C ATOM 848 CZ TYR A 51 8.504 -2.294 5.692 1.00 0.00 C ATOM 849 OH TYR A 51 8.648 -0.948 5.564 1.00 0.00 O ATOM 0 H TYR A 51 5.697 -6.156 5.243 1.00 0.00 H new ATOM 0 HA TYR A 51 8.163 -7.322 4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.411 -6.765 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.021 -7.000 6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.153 -4.634 6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.298 -5.159 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.429 -2.129 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.560 -2.652 5.285 1.00 0.00 H new ATOM 0 HH TYR A 51 9.582 -0.738 5.353 1.00 0.00 H new ATOM 859 N ASP A 52 7.929 -9.597 5.043 1.00 0.00 N ATOM 860 CA ASP A 52 7.654 -10.989 5.357 1.00 0.00 C ATOM 861 C ASP A 52 7.300 -11.113 6.840 1.00 0.00 C ATOM 862 O ASP A 52 7.961 -10.522 7.691 1.00 0.00 O ATOM 863 CB ASP A 52 8.878 -11.867 5.088 1.00 0.00 C ATOM 864 CG ASP A 52 8.707 -13.343 5.451 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.816 -13.647 6.659 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.473 -14.135 4.512 1.00 0.00 O ATOM 0 H ASP A 52 8.861 -9.421 4.667 1.00 0.00 H new ATOM 0 HA ASP A 52 6.828 -11.319 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.132 -11.796 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.724 -11.466 5.647 1.00 0.00 H new ATOM 871 N PRO A 53 6.229 -11.907 7.111 1.00 0.00 N ATOM 872 CA PRO A 53 5.779 -12.116 8.476 1.00 0.00 C ATOM 873 C PRO A 53 6.716 -13.067 9.223 1.00 0.00 C ATOM 874 O PRO A 53 7.115 -12.791 10.353 1.00 0.00 O ATOM 875 CB PRO A 53 4.364 -12.657 8.345 1.00 0.00 C ATOM 876 CG PRO A 53 4.243 -13.168 6.919 1.00 0.00 C ATOM 877 CD PRO A 53 5.421 -12.623 6.128 1.00 0.00 C ATOM 0 HA PRO A 53 5.788 -11.200 9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.184 -13.457 9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.628 -11.878 8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.243 -14.258 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.302 -12.843 6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.989 -13.427 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.089 -11.959 5.330 1.00 0.00 H new ATOM 885 N ALA A 54 7.041 -14.168 8.561 1.00 0.00 N ATOM 886 CA ALA A 54 7.924 -15.161 9.147 1.00 0.00 C ATOM 887 C ALA A 54 9.147 -14.462 9.743 1.00 0.00 C ATOM 888 O ALA A 54 9.691 -14.906 10.753 1.00 0.00 O ATOM 889 CB ALA A 54 8.303 -16.198 8.087 1.00 0.00 C ATOM 0 H ALA A 54 6.708 -14.394 7.624 1.00 0.00 H new ATOM 0 HA ALA A 54 7.421 -15.691 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.966 -16.943 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.402 -16.687 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.812 -15.703 7.260 1.00 0.00 H new ATOM 895 N GLY A 55 9.545 -13.379 9.091 1.00 0.00 N ATOM 896 CA GLY A 55 10.695 -12.613 9.543 1.00 0.00 C ATOM 897 C GLY A 55 11.445 -12.000 8.359 1.00 0.00 C ATOM 898 O GLY A 55 11.545 -12.613 7.298 1.00 0.00 O ATOM 0 H GLY A 55 9.092 -13.014 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.367 -11.823 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.367 -13.258 10.109 1.00 0.00 H new ATOM 902 N ALA A 56 11.952 -10.796 8.581 1.00 0.00 N ATOM 903 CA ALA A 56 12.690 -10.093 7.546 1.00 0.00 C ATOM 904 C ALA A 56 13.128 -8.726 8.077 1.00 0.00 C ATOM 905 O ALA A 56 12.859 -8.389 9.229 1.00 0.00 O ATOM 906 CB ALA A 56 11.825 -9.980 6.289 1.00 0.00 C ATOM 0 H ALA A 56 11.866 -10.290 9.462 1.00 0.00 H new ATOM 0 HA ALA A 56 13.590 -10.645 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.379 -9.452 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.565 -10.978 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.914 -9.429 6.523 1.00 0.00 H new ATOM 912 N GLU A 57 13.795 -7.977 7.212 1.00 0.00 N ATOM 913 CA GLU A 57 14.272 -6.654 7.579 1.00 0.00 C ATOM 914 C GLU A 57 13.707 -5.601 6.623 1.00 0.00 C ATOM 915 O GLU A 57 12.954 -4.722 7.038 1.00 0.00 O ATOM 916 CB GLU A 57 15.801 -6.610 7.602 1.00 0.00 C ATOM 917 CG GLU A 57 16.306 -5.594 8.628 1.00 0.00 C ATOM 918 CD GLU A 57 17.741 -5.165 8.316 1.00 0.00 C ATOM 919 OE1 GLU A 57 18.059 -5.083 7.110 1.00 0.00 O ATOM 920 OE2 GLU A 57 18.487 -4.929 9.290 1.00 0.00 O ATOM 0 H GLU A 57 14.017 -8.261 6.258 1.00 0.00 H new ATOM 0 HA GLU A 57 13.919 -6.428 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.193 -7.599 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.176 -6.349 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.654 -4.720 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.262 -6.028 9.627 1.00 0.00 H new ATOM 927 N ASP A 58 14.093 -5.726 5.362 1.00 0.00 N ATOM 928 CA ASP A 58 13.635 -4.796 4.344 1.00 0.00 C ATOM 929 C ASP A 58 12.303 -5.287 3.774 1.00 0.00 C ATOM 930 O ASP A 58 11.995 -6.476 3.841 1.00 0.00 O ATOM 931 CB ASP A 58 14.637 -4.702 3.192 1.00 0.00 C ATOM 932 CG ASP A 58 15.054 -6.044 2.588 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.243 -6.594 1.812 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.175 -6.490 2.915 1.00 0.00 O ATOM 0 H ASP A 58 14.718 -6.457 5.022 1.00 0.00 H new ATOM 0 HA ASP A 58 13.526 -3.815 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.206 -4.084 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.530 -4.187 3.548 1.00 0.00 H new ATOM 939 N PRO A 59 11.527 -4.321 3.211 1.00 0.00 N ATOM 940 CA PRO A 59 10.235 -4.643 2.629 1.00 0.00 C ATOM 941 C PRO A 59 10.401 -5.345 1.280 1.00 0.00 C ATOM 942 O PRO A 59 11.261 -4.971 0.483 1.00 0.00 O ATOM 943 CB PRO A 59 9.510 -3.312 2.521 1.00 0.00 C ATOM 944 CG PRO A 59 10.586 -2.242 2.611 1.00 0.00 C ATOM 945 CD PRO A 59 11.859 -2.903 3.114 1.00 0.00 C ATOM 0 HA PRO A 59 9.663 -5.345 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.965 -3.239 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.779 -3.199 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.753 -1.785 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.277 -1.445 3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.689 -2.737 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.159 -2.500 4.081 1.00 0.00 H new ATOM 953 N LEU A 60 9.565 -6.350 1.065 1.00 0.00 N ATOM 954 CA LEU A 60 9.609 -7.108 -0.174 1.00 0.00 C ATOM 955 C LEU A 60 9.475 -6.148 -1.358 1.00 0.00 C ATOM 956 O LEU A 60 10.036 -6.393 -2.426 1.00 0.00 O ATOM 957 CB LEU A 60 8.556 -8.218 -0.161 1.00 0.00 C ATOM 958 CG LEU A 60 8.746 -9.310 0.894 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.401 -9.757 1.469 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.547 -10.485 0.329 1.00 0.00 C ATOM 0 H LEU A 60 8.853 -6.657 1.728 1.00 0.00 H new ATOM 0 HA LEU A 60 10.569 -7.613 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.578 -7.762 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.541 -8.689 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 60 9.325 -8.892 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.565 -10.533 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.903 -8.906 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.776 -10.151 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.668 -11.247 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.017 -10.911 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.528 -10.135 0.008 1.00 0.00 H new ATOM 972 N GLY A 61 8.730 -5.077 -1.130 1.00 0.00 N ATOM 973 CA GLY A 61 8.516 -4.080 -2.165 1.00 0.00 C ATOM 974 C GLY A 61 7.557 -2.989 -1.684 1.00 0.00 C ATOM 975 O GLY A 61 7.158 -2.976 -0.521 1.00 0.00 O ATOM 0 H GLY A 61 8.267 -4.878 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.469 -3.633 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.111 -4.558 -3.057 1.00 0.00 H new ATOM 979 N ALA A 62 7.215 -2.099 -2.605 1.00 0.00 N ATOM 980 CA ALA A 62 6.310 -1.006 -2.290 1.00 0.00 C ATOM 981 C ALA A 62 5.226 -0.922 -3.366 1.00 0.00 C ATOM 982 O ALA A 62 5.358 -1.517 -4.434 1.00 0.00 O ATOM 983 CB ALA A 62 7.106 0.294 -2.161 1.00 0.00 C ATOM 0 H ALA A 62 7.548 -2.113 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 62 5.814 -1.181 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.428 1.114 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.843 0.192 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.615 0.504 -3.102 1.00 0.00 H new ATOM 989 N ILE A 63 4.177 -0.179 -3.046 1.00 0.00 N ATOM 990 CA ILE A 63 3.070 -0.009 -3.972 1.00 0.00 C ATOM 991 C ILE A 63 2.693 1.472 -4.044 1.00 0.00 C ATOM 992 O ILE A 63 2.261 2.056 -3.051 1.00 0.00 O ATOM 993 CB ILE A 63 1.904 -0.922 -3.586 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.359 -2.378 -3.481 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.733 -0.755 -4.556 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.428 -3.180 -2.569 1.00 0.00 C ATOM 0 H ILE A 63 4.070 0.312 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 63 3.364 -0.313 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 63 1.549 -0.625 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.379 -2.829 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.377 -2.417 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.082 -1.415 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.389 0.279 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.057 -1.010 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.775 -4.212 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.429 -2.741 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.416 -3.159 -2.973 1.00 0.00 H new ATOM 1008 N HIS A 64 2.871 2.038 -5.229 1.00 0.00 N ATOM 1009 CA HIS A 64 2.556 3.440 -5.444 1.00 0.00 C ATOM 1010 C HIS A 64 1.114 3.714 -5.010 1.00 0.00 C ATOM 1011 O HIS A 64 0.189 3.036 -5.454 1.00 0.00 O ATOM 1012 CB HIS A 64 2.824 3.841 -6.896 1.00 0.00 C ATOM 1013 CG HIS A 64 3.252 5.279 -7.066 1.00 0.00 C ATOM 1014 ND1 HIS A 64 2.495 6.209 -7.758 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.363 5.937 -6.628 1.00 0.00 C ATOM 1016 CE1 HIS A 64 3.133 7.370 -7.732 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.291 7.199 -7.031 1.00 0.00 N ATOM 0 H HIS A 64 3.229 1.551 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 64 3.208 4.061 -4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.598 3.191 -7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.921 3.669 -7.482 1.00 0.00 H new ATOM 0 HD1 HIS A 64 1.599 6.031 -8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.166 5.504 -6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.796 8.290 -8.186 1.00 0.00 H new ATOM 1025 N LEU A 65 0.969 4.709 -4.147 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.344 5.081 -3.648 1.00 0.00 C ATOM 1027 C LEU A 65 -0.708 6.473 -4.170 1.00 0.00 C ATOM 1028 O LEU A 65 -1.882 6.777 -4.371 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.391 4.964 -2.124 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.074 3.583 -1.547 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.123 3.603 -0.018 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.999 2.517 -2.136 1.00 0.00 C ATOM 0 H LEU A 65 1.739 5.269 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.102 4.392 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.312 5.682 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.386 5.257 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 65 0.944 3.319 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.106 2.609 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.610 4.316 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.120 3.898 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.752 1.545 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.034 2.764 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.870 2.481 -3.218 1.00 0.00 H new ATOM 1044 N ARG A 66 0.322 7.281 -4.375 1.00 0.00 N ATOM 1045 CA ARG A 66 0.126 8.633 -4.869 1.00 0.00 C ATOM 1046 C ARG A 66 -1.009 8.664 -5.894 1.00 0.00 C ATOM 1047 O ARG A 66 -1.893 9.517 -5.822 1.00 0.00 O ATOM 1048 CB ARG A 66 1.403 9.174 -5.516 1.00 0.00 C ATOM 1049 CG ARG A 66 2.523 9.314 -4.483 1.00 0.00 C ATOM 1050 CD ARG A 66 3.880 9.497 -5.167 1.00 0.00 C ATOM 1051 NE ARG A 66 4.571 10.681 -4.612 1.00 0.00 N ATOM 1052 CZ ARG A 66 4.209 11.947 -4.861 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.161 12.201 -5.656 1.00 0.00 N ATOM 1054 NH2 ARG A 66 4.896 12.960 -4.314 1.00 0.00 N ATOM 0 H ARG A 66 1.295 7.025 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.131 9.263 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.722 8.505 -6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.201 10.143 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.320 10.167 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.549 8.429 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.492 8.607 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.742 9.617 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 66 5.373 10.524 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.638 11.430 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.886 13.165 -5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.694 12.767 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.621 13.924 -4.503 1.00 0.00 H new ATOM 1068 N GLY A 67 -0.949 7.723 -6.825 1.00 0.00 N ATOM 1069 CA GLY A 67 -1.961 7.632 -7.864 1.00 0.00 C ATOM 1070 C GLY A 67 -2.523 6.212 -7.958 1.00 0.00 C ATOM 1071 O GLY A 67 -2.475 5.590 -9.018 1.00 0.00 O ATOM 0 H GLY A 67 -0.215 7.017 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.768 8.333 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.530 7.921 -8.823 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.044 5.740 -6.835 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.615 4.405 -6.777 1.00 0.00 C ATOM 1077 C CYS A 68 -5.134 4.538 -6.659 1.00 0.00 C ATOM 1078 O CYS A 68 -5.661 5.647 -6.586 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.023 3.586 -5.629 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.644 4.214 -4.026 1.00 0.00 S ATOM 0 H CYS A 68 -3.083 6.259 -5.958 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.368 3.861 -7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.290 2.536 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.935 3.643 -5.654 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.010 5.304 -3.712 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.797 3.390 -6.645 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.246 3.364 -6.537 1.00 0.00 C ATOM 1088 C VAL A 69 -7.659 2.277 -5.543 1.00 0.00 C ATOM 1089 O VAL A 69 -6.942 1.296 -5.356 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.870 3.177 -7.921 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.396 3.264 -7.851 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.308 4.193 -8.918 1.00 0.00 C ATOM 0 H VAL A 69 -5.357 2.472 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.618 4.314 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.607 2.180 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.814 3.128 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.775 2.485 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.687 4.241 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.768 4.038 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.526 5.203 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.229 4.063 -9.001 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.815 2.489 -4.931 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.333 1.539 -3.960 1.00 0.00 C ATOM 1104 C VAL A 70 -10.662 0.974 -4.465 1.00 0.00 C ATOM 1105 O VAL A 70 -11.483 1.706 -5.015 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.449 2.205 -2.588 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.348 1.388 -1.657 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.069 2.423 -1.965 1.00 0.00 C ATOM 0 H VAL A 70 -9.408 3.304 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.647 0.700 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.911 3.182 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.414 1.883 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.344 1.307 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.927 0.391 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.181 2.898 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.568 1.462 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.474 3.064 -2.615 1.00 0.00 H new ATOM 1118 N THR A 71 -10.832 -0.324 -4.261 1.00 0.00 N ATOM 1119 CA THR A 71 -12.047 -0.996 -4.688 1.00 0.00 C ATOM 1120 C THR A 71 -12.240 -2.298 -3.908 1.00 0.00 C ATOM 1121 O THR A 71 -11.357 -2.713 -3.159 1.00 0.00 O ATOM 1122 CB THR A 71 -11.966 -1.201 -6.202 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.323 -1.137 -6.634 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.522 -2.616 -6.579 1.00 0.00 C ATOM 0 H THR A 71 -10.148 -0.928 -3.805 1.00 0.00 H new ATOM 0 HA THR A 71 -12.929 -0.392 -4.473 1.00 0.00 H new ATOM 0 HB THR A 71 -11.272 -0.477 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.363 -1.259 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.481 -2.707 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.534 -2.811 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.234 -3.339 -6.180 1.00 0.00 H new ATOM 1132 N SER A 72 -13.399 -2.906 -4.111 1.00 0.00 N ATOM 1133 CA SER A 72 -13.718 -4.153 -3.436 1.00 0.00 C ATOM 1134 C SER A 72 -13.900 -5.272 -4.463 1.00 0.00 C ATOM 1135 O SER A 72 -14.272 -5.016 -5.607 1.00 0.00 O ATOM 1136 CB SER A 72 -14.978 -4.008 -2.580 1.00 0.00 C ATOM 1137 OG SER A 72 -15.287 -2.643 -2.310 1.00 0.00 O ATOM 0 H SER A 72 -14.129 -2.559 -4.733 1.00 0.00 H new ATOM 0 HA SER A 72 -12.889 -4.407 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.819 -4.476 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.840 -4.541 -1.639 1.00 0.00 H new ATOM 0 HG SER A 72 -16.098 -2.593 -1.763 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.629 -6.490 -4.017 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.758 -7.650 -4.883 1.00 0.00 C ATOM 1145 C VAL A 73 -15.240 -7.917 -5.153 1.00 0.00 C ATOM 1146 O VAL A 73 -16.080 -7.042 -4.948 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.038 -8.849 -4.263 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.567 -8.525 -3.991 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.743 -9.311 -2.986 1.00 0.00 C ATOM 0 H VAL A 73 -13.321 -6.699 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.281 -7.463 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.073 -9.669 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.078 -9.394 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.072 -8.266 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.501 -7.683 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.211 -10.164 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.754 -8.497 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.767 -9.601 -3.220 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.723 -15.389 2.299 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.329 -14.431 3.208 1.00 0.00 C ATOM 1320 C GLU A 85 -13.463 -13.066 2.529 1.00 0.00 C ATOM 1321 O GLU A 85 -13.650 -12.988 1.316 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.525 -14.322 4.505 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.045 -15.698 4.969 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.562 -15.649 6.420 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -10.488 -15.048 6.641 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.276 -16.215 7.276 1.00 0.00 O ATOM 0 HA GLU A 85 -14.327 -14.786 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.668 -13.666 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.140 -13.867 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.856 -16.420 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.236 -16.042 4.324 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.361 -12.025 3.341 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.468 -10.667 2.835 1.00 0.00 C ATOM 1335 C ASN A 86 -12.172 -10.294 2.111 1.00 0.00 C ATOM 1336 O ASN A 86 -11.080 -10.496 2.641 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.677 -9.668 3.975 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.866 -10.074 4.848 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.002 -10.130 4.408 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.541 -10.354 6.107 1.00 0.00 N ATOM 0 H ASN A 86 -13.205 -12.094 4.347 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.322 -10.626 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.775 -9.613 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.846 -8.672 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.263 -10.636 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.569 -10.287 6.410 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.336 -9.756 0.911 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.193 -9.353 0.110 1.00 0.00 C ATOM 1349 C LEU A 87 -11.499 -8.018 -0.573 1.00 0.00 C ATOM 1350 O LEU A 87 -12.651 -7.587 -0.611 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.802 -10.466 -0.865 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.470 -11.823 -0.635 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.580 -12.609 -1.943 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.740 -12.617 0.451 1.00 0.00 C ATOM 0 H LEU A 87 -13.243 -9.590 0.475 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.321 -9.195 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.036 -10.135 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.722 -10.602 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.485 -11.648 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.058 -13.569 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.176 -12.043 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.584 -12.775 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.235 -13.577 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.707 -12.784 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.758 -12.056 1.386 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.449 -7.401 -1.094 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.591 -6.124 -1.772 1.00 0.00 C ATOM 1368 C PHE A 88 -9.461 -5.911 -2.781 1.00 0.00 C ATOM 1369 O PHE A 88 -8.327 -6.326 -2.546 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.513 -5.037 -0.699 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.301 -5.160 0.225 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.056 -4.875 -0.243 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.467 -5.555 1.516 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -6.931 -4.989 0.615 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.342 -5.670 2.374 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.097 -5.384 1.906 1.00 0.00 C ATOM 0 H PHE A 88 -9.496 -7.762 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.536 -6.093 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.488 -4.062 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.421 -5.070 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.923 -4.562 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.455 -5.781 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.943 -4.762 0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.474 -5.985 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.241 -5.471 2.559 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.809 -5.264 -3.883 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.838 -4.990 -4.929 1.00 0.00 C ATOM 1388 C GLU A 89 -8.335 -3.549 -4.822 1.00 0.00 C ATOM 1389 O GLU A 89 -9.119 -2.629 -4.592 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.431 -5.262 -6.313 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.429 -4.918 -7.416 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.149 -4.529 -8.709 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.640 -3.381 -8.762 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.191 -5.388 -9.616 1.00 0.00 O ATOM 0 H GLU A 89 -10.750 -4.921 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.990 -5.661 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.716 -6.311 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.339 -4.674 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.791 -4.097 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.778 -5.773 -7.601 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.030 -3.397 -4.994 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.413 -2.084 -4.920 1.00 0.00 C ATOM 1403 C ILE A 90 -5.535 -1.867 -6.154 1.00 0.00 C ATOM 1404 O ILE A 90 -4.502 -2.517 -6.307 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.665 -1.917 -3.596 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.615 -2.070 -2.406 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.907 -0.589 -3.557 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.842 -2.092 -1.086 1.00 0.00 C ATOM 0 H ILE A 90 -6.383 -4.162 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.175 -1.304 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.924 -2.713 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.330 -1.247 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.189 -2.991 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.384 -0.496 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.184 -0.559 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.612 0.235 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.541 -2.202 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.145 -2.930 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.288 -1.160 -0.973 1.00 0.00 H new ATOM 1420 N ILE A 91 -5.978 -0.951 -7.002 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.245 -0.640 -8.218 1.00 0.00 C ATOM 1422 C ILE A 91 -4.239 0.476 -7.931 1.00 0.00 C ATOM 1423 O ILE A 91 -4.500 1.358 -7.113 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.212 -0.318 -9.359 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.340 -1.349 -9.429 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.467 -0.191 -10.689 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.705 -0.664 -9.514 1.00 0.00 C ATOM 0 H ILE A 91 -6.835 -0.414 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.674 -1.507 -8.550 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.672 0.649 -9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.197 -1.991 -10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.306 -1.991 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.177 0.038 -11.483 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.731 0.610 -10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.961 -1.130 -10.914 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.489 -1.420 -9.563 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.855 -0.042 -8.632 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.745 -0.042 -10.408 1.00 0.00 H new ATOM 1439 N THR A 92 -3.109 0.403 -8.619 1.00 0.00 N ATOM 1440 CA THR A 92 -2.063 1.396 -8.448 1.00 0.00 C ATOM 1441 C THR A 92 -1.901 2.226 -9.723 1.00 0.00 C ATOM 1442 O THR A 92 -2.541 1.946 -10.736 1.00 0.00 O ATOM 1443 CB THR A 92 -0.783 0.669 -8.031 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.424 -0.090 -9.183 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.035 -0.388 -6.953 1.00 0.00 C ATOM 0 H THR A 92 -2.895 -0.329 -9.296 1.00 0.00 H new ATOM 0 HA THR A 92 -2.320 2.108 -7.664 1.00 0.00 H new ATOM 0 HB THR A 92 -0.056 1.394 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.525 -0.329 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.095 -0.874 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.454 0.089 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.736 -1.133 -7.330 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.043 3.231 -9.633 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.789 4.103 -10.767 1.00 0.00 C ATOM 1455 C ALA A 93 -0.277 3.269 -11.942 1.00 0.00 C ATOM 1456 O ALA A 93 -0.307 3.718 -13.087 1.00 0.00 O ATOM 1457 CB ALA A 93 0.195 5.200 -10.357 1.00 0.00 C ATOM 0 H ALA A 93 -0.514 3.461 -8.792 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.708 4.593 -11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.386 5.854 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.229 5.782 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.131 4.746 -10.031 1.00 0.00 H new ATOM 1463 N ASP A 94 0.182 2.069 -11.619 1.00 0.00 N ATOM 1464 CA ASP A 94 0.701 1.167 -12.633 1.00 0.00 C ATOM 1465 C ASP A 94 -0.429 0.266 -13.135 1.00 0.00 C ATOM 1466 O ASP A 94 -0.240 -0.513 -14.068 1.00 0.00 O ATOM 1467 CB ASP A 94 1.802 0.271 -12.063 1.00 0.00 C ATOM 1468 CG ASP A 94 3.085 1.001 -11.658 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.916 1.232 -12.563 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.205 1.311 -10.453 1.00 0.00 O ATOM 0 H ASP A 94 0.205 1.700 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 94 1.111 1.771 -13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.409 -0.252 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.052 -0.488 -12.804 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.580 0.402 -12.493 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.741 -0.390 -12.862 1.00 0.00 C ATOM 1477 C GLU A 95 -2.654 -1.783 -12.236 1.00 0.00 C ATOM 1478 O GLU A 95 -3.509 -2.633 -12.481 1.00 0.00 O ATOM 1479 CB GLU A 95 -2.882 -0.480 -14.383 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.527 0.852 -15.047 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.288 1.028 -16.362 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.462 0.005 -17.059 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.679 2.183 -16.641 1.00 0.00 O ATOM 0 H GLU A 95 -1.733 1.049 -11.719 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.632 0.105 -12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.231 -1.266 -14.766 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.904 -0.758 -14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.765 1.674 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.454 0.894 -15.235 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.613 -1.975 -11.439 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.403 -3.250 -10.775 1.00 0.00 C ATOM 1492 C VAL A 96 -2.545 -3.501 -9.789 1.00 0.00 C ATOM 1493 O VAL A 96 -2.874 -2.634 -8.980 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.024 -3.274 -10.112 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.247 -4.633 -9.462 1.00 0.00 C ATOM 1496 CG2 VAL A 96 1.073 -2.917 -11.116 1.00 0.00 C ATOM 0 H VAL A 96 -0.906 -1.268 -11.238 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.415 -4.064 -11.499 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.016 -2.519 -9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.233 -4.624 -8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.510 -4.831 -8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.211 -5.414 -10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.043 -2.941 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.066 -3.637 -11.934 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.893 -1.917 -11.511 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.120 -4.691 -9.888 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.218 -5.067 -9.014 1.00 0.00 C ATOM 1508 C HIS A 97 -3.703 -5.993 -7.911 1.00 0.00 C ATOM 1509 O HIS A 97 -2.917 -6.902 -8.175 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.365 -5.683 -9.818 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.733 -4.905 -11.059 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.955 -4.275 -11.214 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.026 -4.661 -12.200 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -6.973 -3.683 -12.399 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.777 -3.923 -13.009 1.00 0.00 N ATOM 0 H HIS A 97 -2.846 -5.407 -10.560 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.625 -4.178 -8.532 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.089 -6.697 -10.106 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.243 -5.761 -9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.025 -5.009 -12.410 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.791 -3.111 -12.810 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.504 -3.590 -13.934 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.167 -5.732 -6.698 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.763 -6.531 -5.554 1.00 0.00 C ATOM 1525 C TYR A 98 -4.975 -6.934 -4.711 1.00 0.00 C ATOM 1526 O TYR A 98 -5.661 -6.078 -4.155 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.849 -5.635 -4.715 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.459 -5.424 -5.320 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.517 -6.430 -5.250 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.148 -4.228 -5.934 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.791 -6.231 -5.818 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.160 -4.030 -6.503 1.00 0.00 C ATOM 1533 CZ TYR A 98 1.065 -5.041 -6.417 1.00 0.00 C ATOM 1534 OH TYR A 98 2.300 -4.854 -6.954 1.00 0.00 O ATOM 0 H TYR A 98 -4.819 -4.978 -6.482 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.267 -7.445 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.328 -4.665 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.740 -6.072 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.761 -7.366 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.885 -3.441 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.538 -7.009 -5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.416 -3.099 -6.987 1.00 0.00 H new ATOM 0 HH TYR A 98 2.659 -5.714 -7.256 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.201 -8.237 -4.644 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.318 -8.764 -3.878 1.00 0.00 C ATOM 1546 C PHE A 99 -5.853 -9.284 -2.516 1.00 0.00 C ATOM 1547 O PHE A 99 -5.208 -10.328 -2.433 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.902 -9.928 -4.682 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.534 -9.510 -6.012 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.848 -9.165 -6.061 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.781 -9.484 -7.144 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.435 -8.777 -7.295 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.368 -9.096 -8.378 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.682 -8.751 -8.427 1.00 0.00 C ATOM 0 H PHE A 99 -4.630 -8.944 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.054 -7.978 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.112 -10.653 -4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.655 -10.433 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.446 -9.186 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.737 -9.758 -7.105 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.479 -8.503 -7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.770 -9.075 -9.277 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.128 -8.456 -9.365 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.198 -8.531 -1.482 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.825 -8.903 -0.128 1.00 0.00 C ATOM 1566 C LEU A 100 -7.078 -9.308 0.649 1.00 0.00 C ATOM 1567 O LEU A 100 -8.173 -8.824 0.366 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.027 -7.778 0.535 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.925 -7.145 -0.318 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.957 -8.207 -0.841 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.522 -6.306 -1.450 1.00 0.00 C ATOM 0 H LEU A 100 -6.732 -7.665 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.163 -9.769 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.722 -6.994 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.574 -8.169 1.446 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.349 -6.470 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.184 -7.730 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.494 -8.723 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.502 -8.926 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.718 -5.867 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.137 -6.941 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.137 -5.511 -1.028 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.876 -10.193 1.615 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.977 -10.669 2.436 1.00 0.00 C ATOM 1585 C GLN A 101 -7.855 -10.120 3.858 1.00 0.00 C ATOM 1586 O GLN A 101 -6.801 -10.233 4.483 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.035 -12.198 2.441 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.177 -12.700 3.327 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.742 -13.918 4.145 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.188 -13.806 5.226 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -9.022 -15.084 3.570 1.00 0.00 N ATOM 0 H GLN A 101 -5.967 -10.593 1.847 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.910 -10.304 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.172 -12.564 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.088 -12.600 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.499 -11.903 3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.035 -12.961 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.488 -15.106 2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.771 -15.956 4.036 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.947 -9.536 4.329 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.975 -8.969 5.666 1.00 0.00 C ATOM 1602 C ALA A 102 -9.554 -9.997 6.640 1.00 0.00 C ATOM 1603 O ALA A 102 -10.434 -10.776 6.275 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.776 -7.665 5.651 1.00 0.00 C ATOM 0 H ALA A 102 -9.819 -9.443 3.808 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.966 -8.729 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.797 -7.239 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.307 -6.958 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.795 -7.868 5.321 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.036 -9.967 7.859 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.491 -10.887 8.888 1.00 0.00 C ATOM 1612 C ALA A 103 -10.968 -10.623 9.186 1.00 0.00 C ATOM 1613 O ALA A 103 -11.819 -11.472 8.926 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.610 -10.740 10.130 1.00 0.00 C ATOM 0 H ALA A 103 -8.306 -9.320 8.157 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.403 -11.918 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.951 -11.430 10.902 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.576 -10.967 9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.674 -9.718 10.503 1.00 0.00 H new ATOM 1620 N THR A 104 -11.227 -9.442 9.728 1.00 0.00 N ATOM 1621 CA THR A 104 -12.587 -9.056 10.065 1.00 0.00 C ATOM 1622 C THR A 104 -13.225 -8.288 8.905 1.00 0.00 C ATOM 1623 O THR A 104 -12.525 -7.795 8.022 1.00 0.00 O ATOM 1624 CB THR A 104 -12.542 -8.258 11.370 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.629 -7.199 11.099 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.882 -9.037 12.509 1.00 0.00 C ATOM 0 H THR A 104 -10.519 -8.740 9.942 1.00 0.00 H new ATOM 0 HA THR A 104 -13.219 -9.930 10.223 1.00 0.00 H new ATOM 0 HB THR A 104 -13.555 -7.979 11.660 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.542 -6.631 11.893 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.876 -8.426 13.412 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.442 -9.954 12.695 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.858 -9.287 12.233 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.582 -8.209 8.947 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.323 -7.510 7.911 1.00 0.00 C ATOM 1636 C PRO A 105 -15.195 -5.994 8.073 1.00 0.00 C ATOM 1637 O PRO A 105 -15.532 -5.238 7.163 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.754 -8.003 8.049 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.856 -8.601 9.443 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.444 -8.781 9.977 1.00 0.00 C ATOM 0 HA PRO A 105 -14.941 -7.714 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.463 -7.185 7.922 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.986 -8.747 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.431 -7.947 10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.377 -9.558 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.313 -8.270 10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.215 -9.833 10.145 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.708 -5.595 9.239 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.531 -4.183 9.532 1.00 0.00 C ATOM 1650 C LYS A 106 -13.154 -3.732 9.041 1.00 0.00 C ATOM 1651 O LYS A 106 -12.966 -2.568 8.692 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.773 -3.910 11.018 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.533 -2.436 11.352 1.00 0.00 C ATOM 1654 CD LYS A 106 -15.754 -1.825 12.042 1.00 0.00 C ATOM 1655 CE LYS A 106 -16.290 -0.629 11.251 1.00 0.00 C ATOM 1656 NZ LYS A 106 -15.612 0.617 11.674 1.00 0.00 N ATOM 0 H LYS A 106 -14.431 -6.225 9.992 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.271 -3.588 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.795 -4.184 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.112 -4.535 11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.661 -2.343 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.312 -1.884 10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.535 -2.579 12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.486 -1.508 13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.134 -0.791 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.365 -0.536 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.987 1.419 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.782 0.778 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.590 0.531 11.504 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.227 -4.679 9.028 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.873 -4.394 8.585 1.00 0.00 C ATOM 1672 C GLU A 107 -10.856 -4.106 7.082 1.00 0.00 C ATOM 1673 O GLU A 107 -10.288 -3.106 6.644 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.928 -5.546 8.933 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.572 -5.369 8.248 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.429 -5.772 9.181 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.499 -6.903 9.709 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.510 -4.941 9.346 1.00 0.00 O ATOM 0 H GLU A 107 -12.387 -5.644 9.317 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.519 -3.506 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.790 -5.594 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.374 -6.492 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.537 -5.974 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.448 -4.330 7.943 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.486 -4.999 6.333 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.550 -4.854 4.889 1.00 0.00 C ATOM 1687 C ARG A 108 -11.898 -3.411 4.516 1.00 0.00 C ATOM 1688 O ARG A 108 -11.286 -2.833 3.620 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.594 -5.795 4.287 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.688 -5.613 2.770 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.137 -5.394 2.333 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.338 -3.983 1.933 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.539 -3.414 1.761 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.654 -4.133 1.952 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.625 -2.127 1.398 1.00 0.00 N ATOM 0 H ARG A 108 -11.957 -5.826 6.700 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.571 -5.111 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.333 -6.828 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.566 -5.603 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.080 -4.762 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.282 -6.492 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.378 -6.054 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.814 -5.649 3.148 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.510 -3.408 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.588 -5.113 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.568 -3.700 1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.776 -1.580 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.539 -1.694 1.267 1.00 0.00 H new ATOM 1709 N THR A 109 -12.880 -2.871 5.223 1.00 0.00 N ATOM 1710 CA THR A 109 -13.317 -1.508 4.977 1.00 0.00 C ATOM 1711 C THR A 109 -12.253 -0.514 5.447 1.00 0.00 C ATOM 1712 O THR A 109 -11.839 0.363 4.690 1.00 0.00 O ATOM 1713 CB THR A 109 -14.672 -1.315 5.661 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.617 -1.745 4.685 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.011 0.160 5.883 1.00 0.00 C ATOM 0 H THR A 109 -13.385 -3.353 5.966 1.00 0.00 H new ATOM 0 HA THR A 109 -13.445 -1.320 3.911 1.00 0.00 H new ATOM 0 HB THR A 109 -14.673 -1.836 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.524 -1.655 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.982 0.241 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.249 0.618 6.514 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.044 0.674 4.923 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.839 -0.684 6.695 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.831 0.187 7.274 1.00 0.00 C ATOM 1725 C GLU A 110 -9.638 0.321 6.327 1.00 0.00 C ATOM 1726 O GLU A 110 -9.232 1.432 5.987 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.388 -0.325 8.646 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.455 -0.047 9.707 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.816 0.400 11.023 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.372 -0.497 11.772 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.785 1.629 11.251 1.00 0.00 O ATOM 0 H GLU A 110 -12.184 -1.412 7.321 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.270 1.175 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.194 -1.396 8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.452 0.155 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.137 0.725 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.050 -0.945 9.874 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.108 -0.826 5.927 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.969 -0.850 5.025 1.00 0.00 C ATOM 1740 C TRP A 111 -8.252 0.124 3.880 1.00 0.00 C ATOM 1741 O TRP A 111 -7.515 1.090 3.685 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.682 -2.273 4.542 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.565 -2.978 5.314 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.646 -4.100 6.042 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.186 -2.561 5.404 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.426 -4.435 6.593 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.510 -3.469 6.193 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.532 -1.453 4.837 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.145 -3.363 6.487 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.169 -1.361 5.141 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.473 -2.267 5.933 1.00 0.00 C ATOM 0 H TRP A 111 -9.446 -1.745 6.211 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.063 -0.529 5.539 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.594 -2.864 4.622 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.415 -2.240 3.486 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.552 -4.671 6.180 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.232 -5.243 7.185 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.041 -0.730 4.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.638 -4.087 7.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.619 -0.527 4.731 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.419 -2.126 6.120 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.321 -0.163 3.151 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.710 0.676 2.030 1.00 0.00 C ATOM 1764 C ILE A 112 -9.538 2.146 2.415 1.00 0.00 C ATOM 1765 O ILE A 112 -8.713 2.851 1.835 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.124 0.324 1.563 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -11.090 -0.748 0.472 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.880 1.576 1.114 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.896 -1.980 0.888 1.00 0.00 C ATOM 0 H ILE A 112 -9.930 -0.965 3.315 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.061 0.492 1.174 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.669 -0.095 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.494 -0.341 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.058 -1.035 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.882 1.298 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.951 2.276 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.346 2.047 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.855 -2.726 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.475 -2.399 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.933 -1.694 1.064 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.329 2.566 3.392 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.275 3.940 3.861 1.00 0.00 C ATOM 1783 C LYS A 113 -8.835 4.285 4.248 1.00 0.00 C ATOM 1784 O LYS A 113 -8.401 5.425 4.086 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.285 4.162 4.988 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.618 3.481 4.672 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.767 4.143 5.435 1.00 0.00 C ATOM 1788 CE LYS A 113 -13.633 3.906 6.941 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.088 5.095 7.695 1.00 0.00 N ATOM 0 H LYS A 113 -11.011 1.978 3.872 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.565 4.626 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.885 3.769 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.444 5.231 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.811 3.532 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.562 2.425 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.775 5.214 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.719 3.745 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.222 3.036 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.595 3.686 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.990 4.917 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.509 5.917 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.085 5.287 7.471 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.135 3.280 4.752 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.753 3.463 5.164 1.00 0.00 C ATOM 1805 C ALA A 114 -5.911 3.855 3.948 1.00 0.00 C ATOM 1806 O ALA A 114 -5.270 4.905 3.945 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.247 2.186 5.837 1.00 0.00 C ATOM 0 H ALA A 114 -8.498 2.336 4.885 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.673 4.269 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.211 2.324 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.860 1.968 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.309 1.355 5.134 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.939 2.990 2.945 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.186 3.233 1.726 1.00 0.00 C ATOM 1815 C ILE A 115 -5.624 4.567 1.119 1.00 0.00 C ATOM 1816 O ILE A 115 -4.790 5.350 0.666 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.321 2.047 0.769 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.542 0.835 1.284 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.900 2.438 -0.650 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.423 -0.416 1.298 1.00 0.00 C ATOM 0 H ILE A 115 -6.471 2.120 2.951 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.121 3.317 1.945 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.372 1.760 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.670 0.663 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.173 1.036 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.005 1.578 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.534 3.249 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.860 2.766 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.846 -1.263 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.281 -0.249 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.771 -0.628 0.287 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.931 4.785 1.128 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.489 6.011 0.584 1.00 0.00 C ATOM 1834 C GLN A 116 -6.901 7.227 1.302 1.00 0.00 C ATOM 1835 O GLN A 116 -6.408 8.153 0.660 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.016 6.005 0.675 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.604 4.784 -0.035 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.567 5.206 -1.146 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.411 6.236 -1.781 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.570 4.355 -1.345 1.00 0.00 N ATOM 0 H GLN A 116 -7.620 4.133 1.504 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.221 6.073 -0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.321 6.003 1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.414 6.916 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.799 4.181 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.128 4.157 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.642 3.510 -0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.267 4.547 -2.065 1.00 0.00 H new ATOM 1849 N MET A 117 -6.973 7.185 2.624 1.00 0.00 N ATOM 1850 CA MET A 117 -6.454 8.272 3.437 1.00 0.00 C ATOM 1851 C MET A 117 -5.039 8.656 2.999 1.00 0.00 C ATOM 1852 O MET A 117 -4.720 9.839 2.887 1.00 0.00 O ATOM 1853 CB MET A 117 -6.436 7.847 4.907 1.00 0.00 C ATOM 1854 CG MET A 117 -5.017 7.898 5.475 1.00 0.00 C ATOM 1855 SD MET A 117 -5.054 7.611 7.237 1.00 0.00 S ATOM 1856 CE MET A 117 -5.722 5.956 7.267 1.00 0.00 C ATOM 0 H MET A 117 -7.383 6.415 3.153 1.00 0.00 H new ATOM 0 HA MET A 117 -7.102 9.139 3.308 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.087 8.501 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.833 6.837 5.002 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.395 7.147 4.989 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.567 8.869 5.266 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.631 5.545 8.273 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.773 5.983 6.979 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.170 5.328 6.567 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.229 7.634 2.764 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.855 7.850 2.341 1.00 0.00 C ATOM 1868 C ALA A 118 -2.842 8.323 0.886 1.00 0.00 C ATOM 1869 O ALA A 118 -2.392 9.429 0.593 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.050 6.565 2.544 1.00 0.00 C ATOM 0 H ALA A 118 -4.497 6.654 2.858 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.386 8.627 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.020 6.727 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.066 6.288 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.490 5.763 1.952 1.00 0.00 H new ATOM 1876 N SER A 119 -3.343 7.461 0.013 1.00 0.00 N ATOM 1877 CA SER A 119 -3.394 7.776 -1.404 1.00 0.00 C ATOM 1878 C SER A 119 -3.958 9.184 -1.607 1.00 0.00 C ATOM 1879 O SER A 119 -3.578 9.878 -2.549 1.00 0.00 O ATOM 1880 CB SER A 119 -4.238 6.752 -2.166 1.00 0.00 C ATOM 1881 OG SER A 119 -5.618 6.834 -1.820 1.00 0.00 O ATOM 0 H SER A 119 -3.717 6.545 0.260 1.00 0.00 H new ATOM 0 HA SER A 119 -2.379 7.737 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.123 6.913 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.870 5.748 -1.953 1.00 0.00 H new ATOM 0 HG SER A 119 -5.710 7.259 -0.942 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.854 9.563 -0.708 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.473 10.876 -0.776 1.00 0.00 C ATOM 1889 C ARG A 120 -4.409 11.971 -0.682 1.00 0.00 C ATOM 1890 O ARG A 120 -4.547 13.030 -1.291 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.490 11.064 0.351 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.859 10.510 -0.047 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.534 11.408 -1.085 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.869 10.870 -1.428 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.628 11.329 -2.433 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.189 12.337 -3.199 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.827 10.780 -2.671 1.00 0.00 N ATOM 0 H ARG A 120 -5.166 8.984 0.071 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.990 10.949 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.138 10.560 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.579 12.123 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.745 9.504 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.493 10.429 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.631 12.421 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.916 11.470 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.234 10.102 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.277 12.756 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.767 12.686 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.162 10.013 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.405 11.129 -3.436 1.00 0.00 H new