USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 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 Single : A 20 LYS NZ :NH3+ 141:sc= 1.25 (180deg=0.704) USER MOD Single : A 21 GLN : amide:sc= -3.8! C(o=-3.8!,f=-8!) USER MOD Single : A 23 CYS SG : rot 22:sc= 0.234 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -0.0657 (180deg=-0.666) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-5.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -7.86! C(o=-7.9!,f=-7.7!) USER MOD Single : A 68 CYS SG : rot 150:sc= -3.08! 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= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : A 92 THR OG1 : rot 151:sc= -1.07 USER MOD Single : A 97 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-7.2!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 101 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.5) USER MOD Single : A 104 THR OG1 : rot -170:sc= 0.0729 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= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 117 MET CE :methyl 167:sc= -2.21 (180deg=-3.22) USER MOD Single : A 119 SER OG : rot -11:sc= -0.475 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.967 8.735 8.160 1.00 0.00 N ATOM 224 CA VAL A 17 4.477 7.979 9.300 1.00 0.00 C ATOM 225 C VAL A 17 3.523 6.888 8.810 1.00 0.00 C ATOM 226 O VAL A 17 3.110 6.894 7.652 1.00 0.00 O ATOM 227 CB VAL A 17 3.832 8.924 10.316 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.371 9.202 9.957 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.951 8.366 11.736 1.00 0.00 C ATOM 0 HA VAL A 17 5.301 7.484 9.813 1.00 0.00 H new ATOM 0 HB VAL A 17 4.371 9.871 10.281 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.937 9.876 10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.320 9.663 8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.814 8.265 9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.485 9.057 12.439 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.450 7.400 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.003 8.244 11.992 1.00 0.00 H new ATOM 239 N ILE A 18 3.202 5.977 9.717 1.00 0.00 N ATOM 240 CA ILE A 18 2.304 4.881 9.392 1.00 0.00 C ATOM 241 C ILE A 18 0.870 5.280 9.745 1.00 0.00 C ATOM 242 O ILE A 18 0.652 6.255 10.463 1.00 0.00 O ATOM 243 CB ILE A 18 2.768 3.590 10.069 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.021 3.034 9.390 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.637 2.560 10.119 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.912 2.303 10.396 1.00 0.00 C ATOM 0 H ILE A 18 3.547 5.975 10.677 1.00 0.00 H new ATOM 0 HA ILE A 18 2.324 4.677 8.321 1.00 0.00 H new ATOM 0 HB ILE A 18 3.037 3.822 11.099 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.733 2.351 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.580 3.848 8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.993 1.652 10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.798 2.968 10.683 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.313 2.326 9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.795 1.918 9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.218 2.995 11.181 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.358 1.475 10.838 1.00 0.00 H new ATOM 258 N ILE A 19 -0.071 4.507 9.224 1.00 0.00 N ATOM 259 CA ILE A 19 -1.478 4.767 9.475 1.00 0.00 C ATOM 260 C ILE A 19 -2.164 3.469 9.905 1.00 0.00 C ATOM 261 O ILE A 19 -2.952 3.462 10.850 1.00 0.00 O ATOM 262 CB ILE A 19 -2.126 5.431 8.258 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.573 4.847 6.956 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.971 6.952 8.315 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.373 5.656 6.458 1.00 0.00 C ATOM 0 H ILE A 19 0.114 3.700 8.629 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.593 5.476 10.295 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.194 5.216 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.276 3.810 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.354 4.842 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.440 7.399 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.450 7.333 9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.912 7.209 8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.001 5.220 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.679 6.686 6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.415 5.639 7.211 1.00 0.00 H new ATOM 277 N LYS A 20 -1.839 2.401 9.192 1.00 0.00 N ATOM 278 CA LYS A 20 -2.413 1.100 9.488 1.00 0.00 C ATOM 279 C LYS A 20 -1.376 0.012 9.201 1.00 0.00 C ATOM 280 O LYS A 20 -0.555 0.155 8.297 1.00 0.00 O ATOM 281 CB LYS A 20 -3.729 0.910 8.731 1.00 0.00 C ATOM 282 CG LYS A 20 -4.205 -0.542 8.814 1.00 0.00 C ATOM 283 CD LYS A 20 -5.731 -0.614 8.897 1.00 0.00 C ATOM 284 CE LYS A 20 -6.200 -2.051 9.135 1.00 0.00 C ATOM 285 NZ LYS A 20 -5.908 -2.467 10.525 1.00 0.00 N ATOM 0 H LYS A 20 -1.185 2.410 8.409 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.667 1.028 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.490 1.570 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.596 1.194 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.858 -1.093 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.766 -1.023 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.085 0.026 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.167 -0.233 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.270 -2.127 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.702 -2.723 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.697 -3.039 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.035 -3.031 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.787 -1.624 11.122 1.00 0.00 H new ATOM 299 N GLN A 21 -1.448 -1.052 9.989 1.00 0.00 N ATOM 300 CA GLN A 21 -0.526 -2.163 9.831 1.00 0.00 C ATOM 301 C GLN A 21 -1.222 -3.483 10.172 1.00 0.00 C ATOM 302 O GLN A 21 -2.220 -3.494 10.891 1.00 0.00 O ATOM 303 CB GLN A 21 0.724 -1.965 10.689 1.00 0.00 C ATOM 304 CG GLN A 21 1.602 -0.844 10.128 1.00 0.00 C ATOM 305 CD GLN A 21 2.781 -0.553 11.059 1.00 0.00 C ATOM 306 OE1 GLN A 21 3.931 -0.811 10.746 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.432 -0.002 12.218 1.00 0.00 N ATOM 0 H GLN A 21 -2.131 -1.167 10.738 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.209 -2.200 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.433 -1.727 11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.294 -2.893 10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.973 -1.126 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.006 0.059 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.450 0.188 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.146 0.231 12.908 1.00 0.00 H new ATOM 316 N GLY A 22 -0.667 -4.562 9.641 1.00 0.00 N ATOM 317 CA GLY A 22 -1.222 -5.884 9.881 1.00 0.00 C ATOM 318 C GLY A 22 -0.818 -6.857 8.771 1.00 0.00 C ATOM 319 O GLY A 22 -0.123 -6.477 7.830 1.00 0.00 O ATOM 0 H GLY A 22 0.161 -4.549 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.874 -6.259 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.309 -5.822 9.937 1.00 0.00 H new ATOM 323 N CYS A 23 -1.270 -8.094 8.919 1.00 0.00 N ATOM 324 CA CYS A 23 -0.965 -9.124 7.942 1.00 0.00 C ATOM 325 C CYS A 23 -2.158 -9.255 6.993 1.00 0.00 C ATOM 326 O CYS A 23 -3.307 -9.144 7.416 1.00 0.00 O ATOM 327 CB CYS A 23 -0.620 -10.456 8.613 1.00 0.00 C ATOM 328 SG CYS A 23 -2.082 -11.105 9.503 1.00 0.00 S ATOM 0 H CYS A 23 -1.845 -8.406 9.702 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.080 -8.839 7.374 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.291 -11.176 7.864 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.208 -10.319 9.308 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.161 -10.568 9.015 1.00 0.00 H new ATOM 334 N LEU A 24 -1.843 -9.489 5.727 1.00 0.00 N ATOM 335 CA LEU A 24 -2.875 -9.636 4.715 1.00 0.00 C ATOM 336 C LEU A 24 -2.538 -10.829 3.819 1.00 0.00 C ATOM 337 O LEU A 24 -1.406 -11.311 3.820 1.00 0.00 O ATOM 338 CB LEU A 24 -3.064 -8.325 3.948 1.00 0.00 C ATOM 339 CG LEU A 24 -3.837 -7.226 4.680 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.065 -6.017 3.770 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.148 -7.766 5.254 1.00 0.00 C ATOM 0 H LEU A 24 -0.888 -9.580 5.380 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.838 -9.848 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.080 -7.936 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.581 -8.545 3.014 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.233 -6.887 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.616 -5.251 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.103 -5.615 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.638 -6.323 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.677 -6.964 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.769 -8.149 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.933 -8.570 5.958 1.00 0.00 H new ATOM 353 N LEU A 25 -3.541 -11.272 3.075 1.00 0.00 N ATOM 354 CA LEU A 25 -3.365 -12.400 2.176 1.00 0.00 C ATOM 355 C LEU A 25 -3.242 -11.888 0.740 1.00 0.00 C ATOM 356 O LEU A 25 -4.247 -11.602 0.091 1.00 0.00 O ATOM 357 CB LEU A 25 -4.488 -13.421 2.371 1.00 0.00 C ATOM 358 CG LEU A 25 -4.738 -13.877 3.810 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.534 -14.647 4.357 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.115 -12.694 4.703 1.00 0.00 C ATOM 0 H LEU A 25 -4.478 -10.870 3.076 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.441 -12.930 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.412 -12.994 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.262 -14.300 1.767 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.586 -14.562 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.737 -14.960 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.352 -15.526 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.654 -14.004 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.287 -13.046 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.304 -11.966 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.023 -12.226 4.323 1.00 0.00 H new ATOM 372 N LYS A 26 -2.002 -11.787 0.286 1.00 0.00 N ATOM 373 CA LYS A 26 -1.734 -11.314 -1.062 1.00 0.00 C ATOM 374 C LYS A 26 -1.686 -12.509 -2.017 1.00 0.00 C ATOM 375 O LYS A 26 -0.965 -13.475 -1.772 1.00 0.00 O ATOM 376 CB LYS A 26 -0.468 -10.455 -1.087 1.00 0.00 C ATOM 377 CG LYS A 26 -0.358 -9.680 -2.401 1.00 0.00 C ATOM 378 CD LYS A 26 1.062 -9.149 -2.607 1.00 0.00 C ATOM 379 CE LYS A 26 1.634 -9.615 -3.947 1.00 0.00 C ATOM 380 NZ LYS A 26 3.109 -9.711 -3.877 1.00 0.00 N ATOM 0 H LYS A 26 -1.171 -12.025 0.828 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.539 -10.664 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.481 -9.758 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.409 -11.090 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.632 -10.328 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.064 -8.849 -2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.055 -8.060 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.703 -9.492 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.213 -10.585 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.346 -8.918 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.480 -10.029 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.507 -8.778 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.378 -10.394 -3.140 1.00 0.00 H new ATOM 394 N GLN A 27 -2.462 -12.404 -3.085 1.00 0.00 N ATOM 395 CA GLN A 27 -2.517 -13.463 -4.078 1.00 0.00 C ATOM 396 C GLN A 27 -1.641 -13.109 -5.281 1.00 0.00 C ATOM 397 O GLN A 27 -1.883 -12.110 -5.957 1.00 0.00 O ATOM 398 CB GLN A 27 -3.959 -13.735 -4.511 1.00 0.00 C ATOM 399 CG GLN A 27 -4.383 -15.158 -4.141 1.00 0.00 C ATOM 400 CD GLN A 27 -5.211 -15.792 -5.261 1.00 0.00 C ATOM 401 OE1 GLN A 27 -5.509 -15.177 -6.271 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.564 -17.052 -5.025 1.00 0.00 N ATOM 0 H GLN A 27 -3.058 -11.601 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.129 -14.377 -3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.627 -13.017 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.052 -13.592 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.499 -15.766 -3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.965 -15.140 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.280 -17.507 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.118 -17.563 -5.712 1.00 0.00 H new ATOM 543 N LYS A 35 -1.197 -16.561 0.628 1.00 0.00 N ATOM 544 CA LYS A 35 -0.041 -16.561 1.509 1.00 0.00 C ATOM 545 C LYS A 35 -0.117 -15.351 2.443 1.00 0.00 C ATOM 546 O LYS A 35 -0.314 -14.224 1.991 1.00 0.00 O ATOM 547 CB LYS A 35 1.252 -16.628 0.694 1.00 0.00 C ATOM 548 CG LYS A 35 2.085 -17.850 1.088 1.00 0.00 C ATOM 549 CD LYS A 35 3.582 -17.557 0.961 1.00 0.00 C ATOM 550 CE LYS A 35 4.065 -17.781 -0.473 1.00 0.00 C ATOM 551 NZ LYS A 35 4.459 -16.497 -1.094 1.00 0.00 N ATOM 0 HA LYS A 35 -0.041 -17.451 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.014 -16.673 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.834 -15.720 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.853 -18.138 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.821 -18.695 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.781 -16.528 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.141 -18.200 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.912 -18.467 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.275 -18.248 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.156 -16.485 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.006 -15.712 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.492 -16.391 -1.046 1.00 0.00 H new ATOM 565 N VAL A 36 0.042 -15.626 3.729 1.00 0.00 N ATOM 566 CA VAL A 36 -0.006 -14.575 4.731 1.00 0.00 C ATOM 567 C VAL A 36 1.269 -13.733 4.642 1.00 0.00 C ATOM 568 O VAL A 36 2.368 -14.274 4.533 1.00 0.00 O ATOM 569 CB VAL A 36 -0.225 -15.183 6.118 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.126 -14.180 7.218 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.661 -15.689 6.274 1.00 0.00 C ATOM 0 H VAL A 36 0.204 -16.562 4.100 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.849 -13.910 4.546 1.00 0.00 H new ATOM 0 HB VAL A 36 0.444 -16.038 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.039 -14.637 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.173 -13.890 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.505 -13.297 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.790 -16.116 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.355 -14.859 6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.861 -16.452 5.522 1.00 0.00 H new ATOM 581 N ARG A 37 1.079 -12.423 4.693 1.00 0.00 N ATOM 582 CA ARG A 37 2.199 -11.501 4.619 1.00 0.00 C ATOM 583 C ARG A 37 1.881 -10.216 5.387 1.00 0.00 C ATOM 584 O ARG A 37 0.715 -9.898 5.615 1.00 0.00 O ATOM 585 CB ARG A 37 2.530 -11.151 3.167 1.00 0.00 C ATOM 586 CG ARG A 37 3.250 -12.309 2.474 1.00 0.00 C ATOM 587 CD ARG A 37 4.198 -11.795 1.388 1.00 0.00 C ATOM 588 NE ARG A 37 4.967 -12.921 0.813 1.00 0.00 N ATOM 589 CZ ARG A 37 5.685 -12.841 -0.315 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.736 -11.689 -0.997 1.00 0.00 N ATOM 591 NH2 ARG A 37 6.352 -13.915 -0.762 1.00 0.00 N ATOM 0 H ARG A 37 0.166 -11.978 4.785 1.00 0.00 H new ATOM 0 HA ARG A 37 3.062 -11.992 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.613 -10.914 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.156 -10.259 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.812 -12.885 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.518 -12.985 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.629 -11.295 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.880 -11.056 1.809 1.00 0.00 H new ATOM 0 HE ARG A 37 4.949 -13.814 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.228 -10.872 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.283 -11.629 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.312 -14.792 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.899 -13.855 -1.621 1.00 0.00 H new ATOM 605 N LYS A 38 2.938 -9.512 5.764 1.00 0.00 N ATOM 606 CA LYS A 38 2.786 -8.269 6.500 1.00 0.00 C ATOM 607 C LYS A 38 2.657 -7.108 5.512 1.00 0.00 C ATOM 608 O LYS A 38 3.350 -7.073 4.497 1.00 0.00 O ATOM 609 CB LYS A 38 3.927 -8.098 7.505 1.00 0.00 C ATOM 610 CG LYS A 38 3.714 -6.855 8.371 1.00 0.00 C ATOM 611 CD LYS A 38 3.528 -7.236 9.841 1.00 0.00 C ATOM 612 CE LYS A 38 3.574 -5.998 10.738 1.00 0.00 C ATOM 613 NZ LYS A 38 2.959 -6.287 12.053 1.00 0.00 N ATOM 0 H LYS A 38 3.904 -9.779 5.573 1.00 0.00 H new ATOM 0 HA LYS A 38 1.871 -8.287 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.992 -8.981 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.875 -8.017 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.569 -6.186 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.839 -6.308 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.574 -7.748 9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.308 -7.936 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.607 -5.680 10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.048 -5.174 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.999 -5.436 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.967 -6.569 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.478 -7.059 12.517 1.00 0.00 H new ATOM 627 N PHE A 39 1.765 -6.186 5.845 1.00 0.00 N ATOM 628 CA PHE A 39 1.536 -5.027 4.999 1.00 0.00 C ATOM 629 C PHE A 39 1.450 -3.748 5.834 1.00 0.00 C ATOM 630 O PHE A 39 0.529 -3.584 6.633 1.00 0.00 O ATOM 631 CB PHE A 39 0.199 -5.248 4.289 1.00 0.00 C ATOM 632 CG PHE A 39 0.323 -5.956 2.938 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.537 -5.230 1.807 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.218 -7.310 2.867 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.651 -5.887 0.553 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.333 -7.966 1.613 1.00 0.00 C ATOM 637 CZ PHE A 39 0.547 -7.241 0.482 1.00 0.00 C ATOM 0 H PHE A 39 1.193 -6.218 6.689 1.00 0.00 H new ATOM 0 HA PHE A 39 2.358 -4.914 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.452 -5.834 4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.285 -4.283 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.620 -4.155 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.047 -7.886 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.820 -5.311 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.251 -9.041 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.634 -7.740 -0.472 1.00 0.00 H new ATOM 647 N ILE A 40 2.423 -2.874 5.621 1.00 0.00 N ATOM 648 CA ILE A 40 2.469 -1.614 6.344 1.00 0.00 C ATOM 649 C ILE A 40 2.129 -0.469 5.388 1.00 0.00 C ATOM 650 O ILE A 40 2.677 -0.390 4.289 1.00 0.00 O ATOM 651 CB ILE A 40 3.818 -1.449 7.047 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.064 -2.589 8.036 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.924 -0.077 7.715 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.533 -2.637 8.464 1.00 0.00 C ATOM 0 H ILE A 40 3.186 -3.013 4.958 1.00 0.00 H new ATOM 0 HA ILE A 40 1.720 -1.601 7.135 1.00 0.00 H new ATOM 0 HB ILE A 40 4.604 -1.502 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.430 -2.457 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.783 -3.538 7.579 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.892 0.014 8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.826 0.704 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.130 0.030 8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.680 -3.457 9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.162 -2.793 7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.804 -1.696 8.942 1.00 0.00 H new ATOM 666 N LEU A 41 1.227 0.389 5.840 1.00 0.00 N ATOM 667 CA LEU A 41 0.808 1.526 5.038 1.00 0.00 C ATOM 668 C LEU A 41 1.359 2.812 5.657 1.00 0.00 C ATOM 669 O LEU A 41 1.319 2.986 6.874 1.00 0.00 O ATOM 670 CB LEU A 41 -0.712 1.529 4.867 1.00 0.00 C ATOM 671 CG LEU A 41 -1.311 2.776 4.213 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.090 2.761 2.699 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.790 2.928 4.574 1.00 0.00 C ATOM 0 H LEU A 41 0.774 0.320 6.751 1.00 0.00 H new ATOM 0 HA LEU A 41 1.219 1.454 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.992 0.660 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.168 1.403 5.849 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.792 3.650 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.525 3.658 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.021 2.735 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.566 1.879 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.191 3.822 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.341 2.053 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.893 3.017 5.655 1.00 0.00 H new ATOM 685 N ARG A 42 1.861 3.680 4.791 1.00 0.00 N ATOM 686 CA ARG A 42 2.420 4.945 5.237 1.00 0.00 C ATOM 687 C ARG A 42 2.055 6.061 4.257 1.00 0.00 C ATOM 688 O ARG A 42 2.307 5.947 3.058 1.00 0.00 O ATOM 689 CB ARG A 42 3.943 4.861 5.360 1.00 0.00 C ATOM 690 CG ARG A 42 4.572 4.362 4.058 1.00 0.00 C ATOM 691 CD ARG A 42 6.048 4.015 4.260 1.00 0.00 C ATOM 692 NE ARG A 42 6.172 2.779 5.065 1.00 0.00 N ATOM 693 CZ ARG A 42 7.300 2.390 5.674 1.00 0.00 C ATOM 694 NH1 ARG A 42 8.409 3.136 5.572 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.320 1.253 6.384 1.00 0.00 N ATOM 0 H ARG A 42 1.892 3.532 3.782 1.00 0.00 H new ATOM 0 HA ARG A 42 1.999 5.166 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.346 5.843 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.209 4.190 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.033 3.483 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.477 5.127 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.534 3.880 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.558 4.838 4.761 1.00 0.00 H new ATOM 0 HE ARG A 42 5.347 2.187 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.394 4.000 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.268 2.839 6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.477 0.684 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.179 0.956 6.848 1.00 0.00 H new ATOM 709 N GLU A 43 1.467 7.116 4.803 1.00 0.00 N ATOM 710 CA GLU A 43 1.065 8.252 3.992 1.00 0.00 C ATOM 711 C GLU A 43 2.085 9.385 4.122 1.00 0.00 C ATOM 712 O GLU A 43 2.630 9.614 5.201 1.00 0.00 O ATOM 713 CB GLU A 43 -0.337 8.730 4.375 1.00 0.00 C ATOM 714 CG GLU A 43 -0.384 9.173 5.839 1.00 0.00 C ATOM 715 CD GLU A 43 -0.724 10.661 5.952 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.711 11.068 5.302 1.00 0.00 O ATOM 717 OE2 GLU A 43 0.012 11.357 6.685 1.00 0.00 O ATOM 0 H GLU A 43 1.260 7.207 5.797 1.00 0.00 H new ATOM 0 HA GLU A 43 1.033 7.936 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.631 9.559 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.056 7.928 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.128 8.585 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.579 8.979 6.312 1.00 0.00 H new ATOM 724 N ASP A 44 2.314 10.064 3.007 1.00 0.00 N ATOM 725 CA ASP A 44 3.259 11.167 2.983 1.00 0.00 C ATOM 726 C ASP A 44 4.632 10.666 3.435 1.00 0.00 C ATOM 727 O ASP A 44 5.047 10.917 4.565 1.00 0.00 O ATOM 728 CB ASP A 44 2.826 12.284 3.935 1.00 0.00 C ATOM 729 CG ASP A 44 3.346 13.677 3.576 1.00 0.00 C ATOM 730 OD1 ASP A 44 3.122 14.084 2.415 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.956 14.303 4.469 1.00 0.00 O ATOM 0 H ASP A 44 1.861 9.871 2.114 1.00 0.00 H new ATOM 0 HA ASP A 44 3.298 11.556 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.737 12.315 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.164 12.035 4.941 1.00 0.00 H new ATOM 736 N PRO A 45 5.317 9.949 2.504 1.00 0.00 N ATOM 737 CA PRO A 45 4.753 9.698 1.189 1.00 0.00 C ATOM 738 C PRO A 45 3.658 8.630 1.256 1.00 0.00 C ATOM 739 O PRO A 45 3.493 7.970 2.281 1.00 0.00 O ATOM 740 CB PRO A 45 5.934 9.283 0.327 1.00 0.00 C ATOM 741 CG PRO A 45 7.031 8.869 1.294 1.00 0.00 C ATOM 742 CD PRO A 45 6.642 9.360 2.679 1.00 0.00 C ATOM 0 HA PRO A 45 4.259 10.574 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.665 8.459 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.263 10.106 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.152 7.786 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.987 9.296 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.620 8.541 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.355 10.094 3.054 1.00 0.00 H new ATOM 750 N ALA A 46 2.939 8.495 0.152 1.00 0.00 N ATOM 751 CA ALA A 46 1.866 7.520 0.073 1.00 0.00 C ATOM 752 C ALA A 46 2.393 6.238 -0.576 1.00 0.00 C ATOM 753 O ALA A 46 2.460 6.140 -1.800 1.00 0.00 O ATOM 754 CB ALA A 46 0.686 8.119 -0.696 1.00 0.00 C ATOM 0 H ALA A 46 3.079 9.045 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 46 1.509 7.262 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.119 7.387 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.329 9.010 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.006 8.388 -1.703 1.00 0.00 H new ATOM 760 N TYR A 47 2.754 5.288 0.274 1.00 0.00 N ATOM 761 CA TYR A 47 3.274 4.017 -0.201 1.00 0.00 C ATOM 762 C TYR A 47 2.921 2.885 0.765 1.00 0.00 C ATOM 763 O TYR A 47 2.751 3.115 1.961 1.00 0.00 O ATOM 764 CB TYR A 47 4.795 4.175 -0.249 1.00 0.00 C ATOM 765 CG TYR A 47 5.317 4.786 -1.551 1.00 0.00 C ATOM 766 CD1 TYR A 47 4.903 4.279 -2.766 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.201 5.845 -1.510 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.394 4.855 -3.991 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.692 6.420 -2.736 1.00 0.00 C ATOM 770 CZ TYR A 47 6.264 5.897 -3.916 1.00 0.00 C ATOM 771 OH TYR A 47 6.728 6.440 -5.073 1.00 0.00 O ATOM 0 H TYR A 47 2.697 5.373 1.289 1.00 0.00 H new ATOM 0 HA TYR A 47 2.849 3.768 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.111 4.800 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.256 3.197 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.211 3.450 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.524 6.242 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.078 4.468 -4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.385 7.248 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 47 7.340 7.177 -4.866 1.00 0.00 H new ATOM 781 N LEU A 48 2.820 1.686 0.210 1.00 0.00 N ATOM 782 CA LEU A 48 2.490 0.517 1.007 1.00 0.00 C ATOM 783 C LEU A 48 3.669 -0.458 0.988 1.00 0.00 C ATOM 784 O LEU A 48 4.010 -1.003 -0.061 1.00 0.00 O ATOM 785 CB LEU A 48 1.173 -0.101 0.533 1.00 0.00 C ATOM 786 CG LEU A 48 0.869 -1.510 1.047 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.662 -2.560 0.266 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.116 -1.609 2.553 1.00 0.00 C ATOM 0 H LEU A 48 2.961 1.499 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 48 2.326 0.799 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.357 0.557 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.178 -0.127 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.189 -1.714 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.428 -3.553 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.394 -2.507 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.729 -2.369 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.892 -2.620 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.159 -1.377 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.472 -0.901 3.075 1.00 0.00 H new ATOM 800 N HIS A 49 4.258 -0.648 2.159 1.00 0.00 N ATOM 801 CA HIS A 49 5.391 -1.547 2.290 1.00 0.00 C ATOM 802 C HIS A 49 4.949 -2.832 2.994 1.00 0.00 C ATOM 803 O HIS A 49 4.383 -2.782 4.085 1.00 0.00 O ATOM 804 CB HIS A 49 6.556 -0.854 2.999 1.00 0.00 C ATOM 805 CG HIS A 49 7.331 0.099 2.119 1.00 0.00 C ATOM 806 ND1 HIS A 49 7.225 1.474 2.229 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.224 -0.140 1.116 1.00 0.00 C ATOM 808 CE1 HIS A 49 8.023 2.028 1.327 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.640 1.026 0.638 1.00 0.00 N ATOM 0 H HIS A 49 3.971 -0.194 3.026 1.00 0.00 H new ATOM 0 HA HIS A 49 5.756 -1.823 1.301 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.171 -0.306 3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.237 -1.613 3.384 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.539 -1.113 0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.160 3.087 1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.311 1.152 -0.120 1.00 0.00 H new ATOM 817 N TYR A 50 5.223 -3.951 2.341 1.00 0.00 N ATOM 818 CA TYR A 50 4.860 -5.246 2.890 1.00 0.00 C ATOM 819 C TYR A 50 6.092 -6.141 3.043 1.00 0.00 C ATOM 820 O TYR A 50 6.890 -6.269 2.116 1.00 0.00 O ATOM 821 CB TYR A 50 3.906 -5.882 1.878 1.00 0.00 C ATOM 822 CG TYR A 50 4.462 -5.947 0.454 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.383 -4.841 -0.369 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.042 -7.110 -0.008 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.906 -4.902 -1.709 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.566 -7.171 -1.348 1.00 0.00 C ATOM 827 CZ TYR A 50 5.472 -6.064 -2.132 1.00 0.00 C ATOM 828 OH TYR A 50 5.967 -6.122 -3.398 1.00 0.00 O ATOM 0 H TYR A 50 5.692 -3.988 1.436 1.00 0.00 H new ATOM 0 HA TYR A 50 4.408 -5.132 3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.663 -6.892 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.974 -5.317 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.929 -3.930 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.103 -7.975 0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.850 -4.045 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.023 -8.075 -1.722 1.00 0.00 H new ATOM 0 HH TYR A 50 6.342 -7.012 -3.562 1.00 0.00 H new ATOM 838 N TYR A 51 6.207 -6.738 4.221 1.00 0.00 N ATOM 839 CA TYR A 51 7.328 -7.617 4.507 1.00 0.00 C ATOM 840 C TYR A 51 6.846 -9.034 4.824 1.00 0.00 C ATOM 841 O TYR A 51 5.681 -9.236 5.163 1.00 0.00 O ATOM 842 CB TYR A 51 8.014 -7.036 5.745 1.00 0.00 C ATOM 843 CG TYR A 51 8.206 -5.519 5.696 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.134 -4.680 5.922 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.452 -4.990 5.425 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.315 -3.252 5.876 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.633 -3.562 5.378 1.00 0.00 C ATOM 848 CZ TYR A 51 8.555 -2.763 5.606 1.00 0.00 C ATOM 849 OH TYR A 51 8.726 -1.415 5.562 1.00 0.00 O ATOM 0 H TYR A 51 5.543 -6.630 4.987 1.00 0.00 H new ATOM 0 HA TYR A 51 7.997 -7.678 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.425 -7.289 6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.987 -7.511 5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.159 -5.094 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.291 -5.647 5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.485 -2.584 6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.602 -3.135 5.167 1.00 0.00 H new ATOM 0 HH TYR A 51 9.663 -1.211 5.360 1.00 0.00 H new ATOM 859 N ASP A 52 7.767 -9.979 4.702 1.00 0.00 N ATOM 860 CA ASP A 52 7.450 -11.372 4.971 1.00 0.00 C ATOM 861 C ASP A 52 7.230 -11.559 6.474 1.00 0.00 C ATOM 862 O ASP A 52 7.906 -10.930 7.287 1.00 0.00 O ATOM 863 CB ASP A 52 8.597 -12.290 4.543 1.00 0.00 C ATOM 864 CG ASP A 52 8.453 -13.749 4.978 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.834 -14.038 6.133 1.00 0.00 O ATOM 866 OD2 ASP A 52 7.965 -14.544 4.146 1.00 0.00 O ATOM 0 H ASP A 52 8.732 -9.808 4.421 1.00 0.00 H new ATOM 0 HA ASP A 52 6.553 -11.629 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.683 -12.257 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.529 -11.896 4.949 1.00 0.00 H new ATOM 871 N PRO A 53 6.257 -12.449 6.805 1.00 0.00 N ATOM 872 CA PRO A 53 5.940 -12.727 8.196 1.00 0.00 C ATOM 873 C PRO A 53 7.013 -13.609 8.838 1.00 0.00 C ATOM 874 O PRO A 53 7.518 -13.293 9.914 1.00 0.00 O ATOM 875 CB PRO A 53 4.571 -13.387 8.162 1.00 0.00 C ATOM 876 CG PRO A 53 4.378 -13.875 6.736 1.00 0.00 C ATOM 877 CD PRO A 53 5.436 -13.212 5.869 1.00 0.00 C ATOM 0 HA PRO A 53 5.919 -11.827 8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.519 -14.215 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.790 -12.680 8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.470 -14.960 6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.379 -13.624 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.030 -13.952 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.984 -12.563 5.119 1.00 0.00 H new ATOM 885 N ALA A 54 7.330 -14.696 8.150 1.00 0.00 N ATOM 886 CA ALA A 54 8.334 -15.625 8.639 1.00 0.00 C ATOM 887 C ALA A 54 9.530 -14.839 9.179 1.00 0.00 C ATOM 888 O ALA A 54 10.156 -15.247 10.156 1.00 0.00 O ATOM 889 CB ALA A 54 8.727 -16.589 7.518 1.00 0.00 C ATOM 0 H ALA A 54 6.909 -14.954 7.258 1.00 0.00 H new ATOM 0 HA ALA A 54 7.936 -16.224 9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.480 -17.286 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.848 -17.144 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.133 -16.025 6.679 1.00 0.00 H new ATOM 895 N GLY A 55 9.812 -13.725 8.519 1.00 0.00 N ATOM 896 CA GLY A 55 10.922 -12.878 8.920 1.00 0.00 C ATOM 897 C GLY A 55 11.561 -12.200 7.706 1.00 0.00 C ATOM 898 O GLY A 55 11.551 -12.751 6.606 1.00 0.00 O ATOM 0 H GLY A 55 9.291 -13.390 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.571 -12.121 9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.669 -13.475 9.443 1.00 0.00 H new ATOM 902 N ALA A 56 12.102 -11.015 7.946 1.00 0.00 N ATOM 903 CA ALA A 56 12.744 -10.256 6.887 1.00 0.00 C ATOM 904 C ALA A 56 13.276 -8.940 7.458 1.00 0.00 C ATOM 905 O ALA A 56 13.064 -8.638 8.631 1.00 0.00 O ATOM 906 CB ALA A 56 11.753 -10.037 5.742 1.00 0.00 C ATOM 0 H ALA A 56 12.109 -10.561 8.860 1.00 0.00 H new ATOM 0 HA ALA A 56 13.593 -10.806 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.235 -9.467 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.429 -11.002 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.888 -9.486 6.110 1.00 0.00 H new ATOM 912 N GLU A 57 13.958 -8.193 6.601 1.00 0.00 N ATOM 913 CA GLU A 57 14.522 -6.917 7.006 1.00 0.00 C ATOM 914 C GLU A 57 14.004 -5.797 6.101 1.00 0.00 C ATOM 915 O GLU A 57 13.400 -4.838 6.578 1.00 0.00 O ATOM 916 CB GLU A 57 16.051 -6.966 6.998 1.00 0.00 C ATOM 917 CG GLU A 57 16.642 -5.743 7.702 1.00 0.00 C ATOM 918 CD GLU A 57 17.488 -6.160 8.907 1.00 0.00 C ATOM 919 OE1 GLU A 57 16.874 -6.473 9.950 1.00 0.00 O ATOM 920 OE2 GLU A 57 18.729 -6.156 8.758 1.00 0.00 O ATOM 0 H GLU A 57 14.132 -8.447 5.629 1.00 0.00 H new ATOM 0 HA GLU A 57 14.204 -6.709 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.392 -7.875 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.412 -7.008 5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.255 -5.176 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.838 -5.083 8.028 1.00 0.00 H new ATOM 927 N ASP A 58 14.260 -5.956 4.811 1.00 0.00 N ATOM 928 CA ASP A 58 13.827 -4.971 3.835 1.00 0.00 C ATOM 929 C ASP A 58 12.430 -5.338 3.330 1.00 0.00 C ATOM 930 O ASP A 58 12.038 -6.503 3.370 1.00 0.00 O ATOM 931 CB ASP A 58 14.771 -4.937 2.631 1.00 0.00 C ATOM 932 CG ASP A 58 16.250 -4.747 2.973 1.00 0.00 C ATOM 933 OD1 ASP A 58 16.775 -5.604 3.716 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.822 -3.749 2.484 1.00 0.00 O ATOM 0 H ASP A 58 14.762 -6.753 4.419 1.00 0.00 H new ATOM 0 HA ASP A 58 13.825 -3.995 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.659 -5.868 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.460 -4.130 1.968 1.00 0.00 H new ATOM 939 N PRO A 59 11.698 -4.294 2.856 1.00 0.00 N ATOM 940 CA PRO A 59 10.353 -4.495 2.344 1.00 0.00 C ATOM 941 C PRO A 59 10.384 -5.148 0.961 1.00 0.00 C ATOM 942 O PRO A 59 11.052 -4.656 0.053 1.00 0.00 O ATOM 943 CB PRO A 59 9.725 -3.111 2.334 1.00 0.00 C ATOM 944 CG PRO A 59 10.883 -2.128 2.397 1.00 0.00 C ATOM 945 CD PRO A 59 12.130 -2.901 2.793 1.00 0.00 C ATOM 0 HA PRO A 59 9.767 -5.179 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.131 -2.958 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.055 -2.980 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.025 -1.643 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.676 -1.340 3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.928 -2.766 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.517 -2.563 3.754 1.00 0.00 H new ATOM 953 N LEU A 60 9.653 -6.247 0.843 1.00 0.00 N ATOM 954 CA LEU A 60 9.589 -6.972 -0.414 1.00 0.00 C ATOM 955 C LEU A 60 9.448 -5.975 -1.566 1.00 0.00 C ATOM 956 O LEU A 60 9.876 -6.251 -2.686 1.00 0.00 O ATOM 957 CB LEU A 60 8.478 -8.023 -0.370 1.00 0.00 C ATOM 958 CG LEU A 60 8.681 -9.173 0.618 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.366 -9.542 1.308 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.325 -10.379 -0.068 1.00 0.00 C ATOM 0 H LEU A 60 9.100 -6.653 1.598 1.00 0.00 H new ATOM 0 HA LEU A 60 10.513 -7.525 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.541 -7.522 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.364 -8.444 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 60 9.370 -8.838 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.538 -10.362 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.985 -8.677 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.636 -9.850 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.458 -11.182 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.681 -10.724 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.295 -10.092 -0.473 1.00 0.00 H new ATOM 972 N GLY A 61 8.845 -4.838 -1.252 1.00 0.00 N ATOM 973 CA GLY A 61 8.642 -3.799 -2.247 1.00 0.00 C ATOM 974 C GLY A 61 7.695 -2.717 -1.724 1.00 0.00 C ATOM 975 O GLY A 61 7.415 -2.657 -0.527 1.00 0.00 O ATOM 0 H GLY A 61 8.490 -4.613 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.600 -3.352 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.232 -4.237 -3.157 1.00 0.00 H new ATOM 979 N ALA A 62 7.228 -1.888 -2.646 1.00 0.00 N ATOM 980 CA ALA A 62 6.318 -0.811 -2.293 1.00 0.00 C ATOM 981 C ALA A 62 5.259 -0.665 -3.388 1.00 0.00 C ATOM 982 O ALA A 62 5.536 -0.908 -4.561 1.00 0.00 O ATOM 983 CB ALA A 62 7.113 0.478 -2.075 1.00 0.00 C ATOM 0 H ALA A 62 7.463 -1.940 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 62 5.800 -1.036 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.431 1.286 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.831 0.331 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.644 0.737 -2.991 1.00 0.00 H new ATOM 989 N ILE A 63 4.068 -0.269 -2.964 1.00 0.00 N ATOM 990 CA ILE A 63 2.966 -0.087 -3.894 1.00 0.00 C ATOM 991 C ILE A 63 2.644 1.404 -4.011 1.00 0.00 C ATOM 992 O ILE A 63 2.453 2.083 -3.004 1.00 0.00 O ATOM 993 CB ILE A 63 1.768 -0.944 -3.479 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.141 -2.427 -3.441 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.564 -0.678 -4.385 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.160 -3.218 -2.574 1.00 0.00 C ATOM 0 H ILE A 63 3.842 -0.069 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 63 3.246 -0.432 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 63 1.479 -0.660 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.144 -2.831 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.152 -2.541 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.274 -1.300 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.282 0.373 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.824 -0.917 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.449 -4.269 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.177 -2.828 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.154 -3.122 -2.982 1.00 0.00 H new ATOM 1008 N HIS A 64 2.594 1.870 -5.251 1.00 0.00 N ATOM 1009 CA HIS A 64 2.298 3.268 -5.513 1.00 0.00 C ATOM 1010 C HIS A 64 0.883 3.593 -5.032 1.00 0.00 C ATOM 1011 O HIS A 64 -0.075 2.921 -5.411 1.00 0.00 O ATOM 1012 CB HIS A 64 2.513 3.601 -6.991 1.00 0.00 C ATOM 1013 CG HIS A 64 2.283 5.054 -7.333 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.318 5.957 -7.503 1.00 0.00 N ATOM 1015 CD2 HIS A 64 1.127 5.749 -7.536 1.00 0.00 C ATOM 1016 CE1 HIS A 64 2.797 7.140 -7.794 1.00 0.00 C ATOM 1017 NE2 HIS A 64 1.439 7.009 -7.814 1.00 0.00 N ATOM 0 H HIS A 64 2.753 1.304 -6.085 1.00 0.00 H new ATOM 0 HA HIS A 64 2.988 3.900 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.531 3.330 -7.270 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.843 2.986 -7.593 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.313 5.747 -7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.128 5.343 -7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.350 8.048 -7.982 1.00 0.00 H new ATOM 1025 N LEU A 65 0.796 4.624 -4.204 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.487 5.046 -3.667 1.00 0.00 C ATOM 1027 C LEU A 65 -0.778 6.478 -4.119 1.00 0.00 C ATOM 1028 O LEU A 65 -1.930 6.834 -4.363 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.518 4.862 -2.148 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.220 3.451 -1.637 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.035 3.446 -0.118 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.300 2.465 -2.086 1.00 0.00 C ATOM 0 H LEU A 65 1.593 5.179 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.289 4.419 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.204 5.548 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.503 5.158 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 65 0.721 3.120 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.176 2.431 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.797 4.097 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.946 3.806 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.064 1.470 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.267 2.781 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.340 2.440 -3.175 1.00 0.00 H new ATOM 1044 N ARG A 66 0.286 7.261 -4.218 1.00 0.00 N ATOM 1045 CA ARG A 66 0.159 8.647 -4.637 1.00 0.00 C ATOM 1046 C ARG A 66 -1.020 8.804 -5.600 1.00 0.00 C ATOM 1047 O ARG A 66 -1.814 9.734 -5.466 1.00 0.00 O ATOM 1048 CB ARG A 66 1.437 9.134 -5.323 1.00 0.00 C ATOM 1049 CG ARG A 66 2.607 9.172 -4.338 1.00 0.00 C ATOM 1050 CD ARG A 66 3.946 9.183 -5.078 1.00 0.00 C ATOM 1051 NE ARG A 66 4.815 10.252 -4.537 1.00 0.00 N ATOM 1052 CZ ARG A 66 6.033 10.543 -5.013 1.00 0.00 C ATOM 1053 NH1 ARG A 66 6.535 9.846 -6.042 1.00 0.00 N ATOM 1054 NH2 ARG A 66 6.751 11.530 -4.459 1.00 0.00 N ATOM 0 H ARG A 66 1.240 6.962 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.013 9.249 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.680 8.475 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.275 10.128 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.528 10.058 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.559 8.306 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.437 8.216 -4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.781 9.342 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 66 4.465 10.802 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.990 9.094 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.462 10.068 -6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.370 12.060 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.678 11.751 -4.821 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.096 7.882 -6.547 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.165 7.906 -7.532 1.00 0.00 C ATOM 1070 C GLY A 67 -2.722 6.502 -7.771 1.00 0.00 C ATOM 1071 O GLY A 67 -2.703 6.006 -8.897 1.00 0.00 O ATOM 0 H GLY A 67 -0.435 7.113 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.964 8.565 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.791 8.317 -8.470 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.206 5.900 -6.694 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.768 4.563 -6.773 1.00 0.00 C ATOM 1077 C CYS A 68 -5.291 4.676 -6.687 1.00 0.00 C ATOM 1078 O CYS A 68 -5.832 5.778 -6.617 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.201 3.646 -5.687 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.821 4.163 -4.045 1.00 0.00 S ATOM 0 H CYS A 68 -3.220 6.314 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.492 4.105 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.489 2.613 -5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.112 3.682 -5.701 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.902 3.126 -3.265 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.939 3.520 -6.694 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.390 3.476 -6.617 1.00 0.00 C ATOM 1088 C VAL A 69 -7.811 2.361 -5.658 1.00 0.00 C ATOM 1089 O VAL A 69 -7.139 1.336 -5.557 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.983 3.315 -8.018 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.511 3.398 -7.979 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.402 4.350 -8.983 1.00 0.00 C ATOM 0 H VAL A 69 -5.487 2.608 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.781 4.412 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.710 2.326 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.908 3.281 -8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.902 2.606 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.813 4.367 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.841 4.213 -9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.629 5.353 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.321 4.223 -9.045 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.923 2.599 -4.977 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.442 1.628 -4.028 1.00 0.00 C ATOM 1104 C VAL A 70 -10.786 1.099 -4.532 1.00 0.00 C ATOM 1105 O VAL A 70 -11.594 1.856 -5.067 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.529 2.253 -2.635 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.382 1.392 -1.700 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.135 2.483 -2.048 1.00 0.00 C ATOM 0 H VAL A 70 -9.479 3.450 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.768 0.776 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.015 3.224 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.428 1.859 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.390 1.302 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.937 0.401 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.226 2.928 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.611 1.530 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.573 3.155 -2.697 1.00 0.00 H new ATOM 1118 N THR A 71 -10.984 -0.198 -4.342 1.00 0.00 N ATOM 1119 CA THR A 71 -12.216 -0.837 -4.770 1.00 0.00 C ATOM 1120 C THR A 71 -12.446 -2.130 -3.985 1.00 0.00 C ATOM 1121 O THR A 71 -11.605 -2.532 -3.183 1.00 0.00 O ATOM 1122 CB THR A 71 -12.137 -1.051 -6.283 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.495 -1.003 -6.712 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.679 -2.464 -6.652 1.00 0.00 C ATOM 0 H THR A 71 -10.311 -0.823 -3.897 1.00 0.00 H new ATOM 0 HA THR A 71 -13.081 -0.208 -4.561 1.00 0.00 H new ATOM 0 HB THR A 71 -11.452 -0.323 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.536 -1.131 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.640 -2.562 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.688 -2.646 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.382 -3.192 -6.247 1.00 0.00 H new ATOM 1132 N SER A 72 -13.591 -2.745 -4.243 1.00 0.00 N ATOM 1133 CA SER A 72 -13.943 -3.984 -3.571 1.00 0.00 C ATOM 1134 C SER A 72 -14.072 -5.116 -4.592 1.00 0.00 C ATOM 1135 O SER A 72 -14.366 -4.871 -5.762 1.00 0.00 O ATOM 1136 CB SER A 72 -15.244 -3.831 -2.781 1.00 0.00 C ATOM 1137 OG SER A 72 -15.665 -2.472 -2.702 1.00 0.00 O ATOM 0 H SER A 72 -14.287 -2.408 -4.908 1.00 0.00 H new ATOM 0 HA SER A 72 -13.148 -4.228 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.026 -4.426 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.106 -4.227 -1.775 1.00 0.00 H new ATOM 0 HG SER A 72 -16.500 -2.417 -2.191 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.847 -6.331 -4.114 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.935 -7.501 -4.971 1.00 0.00 C ATOM 1145 C VAL A 73 -15.396 -7.942 -5.077 1.00 0.00 C ATOM 1146 O VAL A 73 -16.279 -7.324 -4.484 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.014 -8.604 -4.446 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.581 -8.092 -4.285 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.542 -9.179 -3.130 1.00 0.00 C ATOM 0 H VAL A 73 -13.604 -6.531 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.594 -7.263 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.001 -9.408 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.947 -8.896 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.205 -7.753 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.569 -7.261 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.869 -9.961 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.599 -8.387 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.535 -9.599 -3.289 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.598 -15.107 2.242 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.078 -14.134 3.209 1.00 0.00 C ATOM 1320 C GLU A 85 -13.307 -12.782 2.531 1.00 0.00 C ATOM 1321 O GLU A 85 -13.418 -12.707 1.309 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.106 -14.001 4.383 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.771 -14.419 5.696 1.00 0.00 C ATOM 1324 CD GLU A 85 -12.519 -13.382 6.792 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.486 -12.686 6.688 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -13.365 -13.309 7.710 1.00 0.00 O ATOM 0 HA GLU A 85 -14.030 -14.485 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.227 -14.620 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.760 -12.970 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.844 -14.538 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.384 -15.388 6.011 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.372 -11.746 3.355 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.586 -10.401 2.851 1.00 0.00 C ATOM 1335 C ASN A 86 -12.299 -9.896 2.195 1.00 0.00 C ATOM 1336 O ASN A 86 -11.316 -9.620 2.881 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.948 -9.439 3.984 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.039 -10.031 4.879 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.200 -10.116 4.513 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.603 -10.434 6.069 1.00 0.00 N ATOM 0 H ASN A 86 -13.280 -11.812 4.369 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.405 -10.437 2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.061 -9.223 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.290 -8.492 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.254 -10.843 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.617 -10.334 6.312 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.347 -9.790 0.876 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.198 -9.323 0.120 1.00 0.00 C ATOM 1349 C LEU A 87 -11.539 -7.990 -0.548 1.00 0.00 C ATOM 1350 O LEU A 87 -12.645 -7.476 -0.387 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.728 -10.399 -0.860 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.353 -11.785 -0.686 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.456 -12.513 -2.027 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.587 -12.605 0.355 1.00 0.00 C ATOM 0 H LEU A 87 -13.164 -10.020 0.311 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.354 -9.140 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.934 -10.054 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.646 -10.496 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.369 -11.657 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.903 -13.495 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.078 -11.933 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.460 -12.630 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.052 -13.585 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.553 -12.726 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.611 -12.088 1.314 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.569 -7.467 -1.284 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.753 -6.204 -1.978 1.00 0.00 C ATOM 1368 C PHE A 88 -9.610 -5.946 -2.962 1.00 0.00 C ATOM 1369 O PHE A 88 -8.480 -6.373 -2.731 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.751 -5.105 -0.913 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.550 -5.158 0.034 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.321 -4.776 -0.405 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.712 -5.588 1.314 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.206 -4.825 0.473 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.597 -5.637 2.192 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.368 -5.255 1.754 1.00 0.00 C ATOM 0 H PHE A 88 -9.653 -7.896 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.685 -6.223 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.768 -4.134 -1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.667 -5.180 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.193 -4.435 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.688 -5.892 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.230 -4.521 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.725 -5.978 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.521 -5.293 2.422 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.944 -5.250 -4.038 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.960 -4.930 -5.058 1.00 0.00 C ATOM 1388 C GLU A 89 -8.455 -3.497 -4.878 1.00 0.00 C ATOM 1389 O GLU A 89 -9.230 -2.598 -4.557 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.536 -5.137 -6.460 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.484 -4.852 -7.533 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.132 -4.302 -8.805 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.542 -3.121 -8.768 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.204 -5.074 -9.785 1.00 0.00 O ATOM 0 H GLU A 89 -10.883 -4.898 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.115 -5.609 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.896 -6.161 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.395 -4.481 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.756 -4.135 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.939 -5.767 -7.765 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.159 -3.329 -5.094 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.541 -2.021 -4.960 1.00 0.00 C ATOM 1403 C ILE A 90 -5.655 -1.752 -6.178 1.00 0.00 C ATOM 1404 O ILE A 90 -4.555 -2.292 -6.281 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.801 -1.912 -3.625 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.761 -2.103 -2.449 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -5.033 -0.592 -3.530 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -6.003 -2.112 -1.120 1.00 0.00 C ATOM 0 H ILE A 90 -6.519 -4.077 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.302 -1.241 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.067 -2.716 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.501 -1.302 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.306 -3.040 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.516 -0.540 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.304 -0.536 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.731 0.242 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.708 -2.249 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.281 -2.929 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.479 -1.165 -0.993 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.169 -0.919 -7.071 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.438 -0.573 -8.278 1.00 0.00 C ATOM 1422 C ILE A 91 -4.453 0.556 -7.967 1.00 0.00 C ATOM 1423 O ILE A 91 -4.752 1.444 -7.170 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.407 -0.246 -9.416 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.542 -1.271 -9.481 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.667 -0.126 -10.750 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.898 -0.579 -9.627 1.00 0.00 C ATOM 0 H ILE A 91 -7.082 -0.474 -6.983 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.851 -1.423 -8.624 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.859 0.724 -9.211 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.381 -1.944 -10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.537 -1.882 -8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.379 0.107 -11.542 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.925 0.670 -10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.169 -1.069 -10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.687 -1.330 -9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.067 0.075 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.908 0.012 -10.543 1.00 0.00 H new ATOM 1439 N THR A 92 -3.298 0.485 -8.612 1.00 0.00 N ATOM 1440 CA THR A 92 -2.267 1.490 -8.414 1.00 0.00 C ATOM 1441 C THR A 92 -2.115 2.352 -9.669 1.00 0.00 C ATOM 1442 O THR A 92 -2.753 2.091 -10.688 1.00 0.00 O ATOM 1443 CB THR A 92 -0.978 0.772 -8.010 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.735 -0.135 -9.083 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.170 -0.134 -6.792 1.00 0.00 C ATOM 0 H THR A 92 -3.053 -0.253 -9.272 1.00 0.00 H new ATOM 0 HA THR A 92 -2.536 2.180 -7.614 1.00 0.00 H new ATOM 0 HB THR A 92 -0.204 1.509 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.229 -0.290 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.225 -0.620 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.502 0.463 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.920 -0.892 -7.017 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.266 3.363 -9.554 1.00 0.00 N ATOM 1454 CA ALA A 93 -1.021 4.265 -10.667 1.00 0.00 C ATOM 1455 C ALA A 93 -0.493 3.465 -11.859 1.00 0.00 C ATOM 1456 O ALA A 93 -0.563 3.924 -12.999 1.00 0.00 O ATOM 1457 CB ALA A 93 -0.053 5.366 -10.228 1.00 0.00 C ATOM 0 H ALA A 93 -0.739 3.577 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.946 4.750 -10.979 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.131 6.043 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.488 5.923 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.888 4.917 -9.910 1.00 0.00 H new ATOM 1463 N ASP A 94 0.024 2.284 -11.557 1.00 0.00 N ATOM 1464 CA ASP A 94 0.563 1.416 -12.590 1.00 0.00 C ATOM 1465 C ASP A 94 -0.537 0.476 -13.086 1.00 0.00 C ATOM 1466 O ASP A 94 -0.311 -0.326 -13.992 1.00 0.00 O ATOM 1467 CB ASP A 94 1.708 0.559 -12.047 1.00 0.00 C ATOM 1468 CG ASP A 94 2.450 -0.270 -13.097 1.00 0.00 C ATOM 1469 OD1 ASP A 94 2.180 -0.040 -14.296 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.271 -1.114 -12.678 1.00 0.00 O ATOM 0 H ASP A 94 0.081 1.907 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 94 0.935 2.045 -13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.425 1.211 -11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.309 -0.115 -11.289 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.703 0.605 -12.472 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.839 -0.223 -12.840 1.00 0.00 C ATOM 1477 C GLU A 95 -2.703 -1.616 -12.222 1.00 0.00 C ATOM 1478 O GLU A 95 -3.512 -2.501 -12.494 1.00 0.00 O ATOM 1479 CB GLU A 95 -2.985 -0.309 -14.361 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.632 1.025 -15.022 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.374 1.192 -16.350 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.472 0.179 -17.076 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.826 2.328 -16.608 1.00 0.00 O ATOM 0 H GLU A 95 -1.886 1.271 -11.721 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.744 0.240 -12.447 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.336 -1.094 -14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.008 -0.586 -14.617 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.888 1.846 -14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.557 1.077 -15.193 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.673 -1.766 -11.402 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.420 -3.037 -10.743 1.00 0.00 C ATOM 1492 C VAL A 96 -2.588 -3.363 -9.810 1.00 0.00 C ATOM 1493 O VAL A 96 -3.031 -2.510 -9.042 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.072 -2.993 -10.022 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.259 -4.349 -9.395 1.00 0.00 C ATOM 1496 CG2 VAL A 96 1.042 -2.540 -10.968 1.00 0.00 C ATOM 0 H VAL A 96 -1.004 -1.029 -11.179 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.355 -3.842 -11.475 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.146 -2.261 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.222 -4.290 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.514 -4.615 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.305 -5.109 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.990 -2.518 -10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.116 -3.236 -11.803 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.816 -1.543 -11.346 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.052 -4.600 -9.906 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.160 -5.050 -9.080 1.00 0.00 C ATOM 1508 C HIS A 97 -3.640 -5.998 -7.997 1.00 0.00 C ATOM 1509 O HIS A 97 -2.793 -6.848 -8.266 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.259 -5.678 -9.939 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.635 -4.858 -11.151 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -6.853 -4.213 -11.271 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -4.940 -4.586 -12.293 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -6.880 -3.584 -12.437 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.694 -3.817 -13.069 1.00 0.00 N ATOM 0 H HIS A 97 -2.681 -5.305 -10.543 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.615 -4.195 -8.579 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.930 -6.664 -10.268 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.147 -5.827 -9.324 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.945 -4.937 -12.526 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.698 -2.991 -12.820 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.430 -3.459 -13.987 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.169 -5.819 -6.796 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.769 -6.647 -5.671 1.00 0.00 C ATOM 1525 C TYR A 98 -4.992 -7.170 -4.913 1.00 0.00 C ATOM 1526 O TYR A 98 -5.978 -6.454 -4.750 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.960 -5.738 -4.744 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.564 -5.398 -5.269 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.565 -6.350 -5.238 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.303 -4.141 -5.774 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.750 -6.031 -5.732 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.011 -3.821 -6.268 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.973 -4.782 -6.223 1.00 0.00 C ATOM 1534 OH TYR A 98 2.214 -4.481 -6.690 1.00 0.00 O ATOM 0 H TYR A 98 -4.871 -5.113 -6.577 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.197 -7.509 -6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.513 -4.812 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.864 -6.221 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.769 -7.334 -4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.085 -3.396 -5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.541 -6.766 -5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.228 -2.840 -6.665 1.00 0.00 H new ATOM 0 HH TYR A 98 2.227 -3.555 -7.011 1.00 0.00 H new ATOM 1544 N PHE A 99 -4.886 -8.414 -4.470 1.00 0.00 N ATOM 1545 CA PHE A 99 -5.970 -9.041 -3.733 1.00 0.00 C ATOM 1546 C PHE A 99 -5.547 -9.356 -2.297 1.00 0.00 C ATOM 1547 O PHE A 99 -4.737 -10.253 -2.068 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.302 -10.349 -4.454 1.00 0.00 C ATOM 1549 CG PHE A 99 -6.905 -10.157 -5.847 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.137 -9.597 -5.983 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.209 -10.546 -6.948 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.696 -9.419 -7.276 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -6.768 -10.368 -8.241 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.000 -9.808 -8.378 1.00 0.00 C ATOM 0 H PHE A 99 -4.066 -9.005 -4.607 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.828 -8.370 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.393 -10.944 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.000 -10.921 -3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.690 -9.288 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.231 -10.990 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.674 -8.975 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.215 -10.677 -9.116 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.425 -9.672 -9.361 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.114 -8.601 -1.368 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.806 -8.789 0.040 1.00 0.00 C ATOM 1566 C LEU A 100 -7.076 -9.206 0.784 1.00 0.00 C ATOM 1567 O LEU A 100 -8.156 -8.681 0.518 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.139 -7.537 0.614 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.995 -6.947 -0.213 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.951 -8.015 -0.545 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.527 -6.255 -1.470 1.00 0.00 C ATOM 0 H LEU A 100 -6.785 -7.858 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.083 -9.594 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.902 -6.769 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.758 -7.776 1.607 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.497 -6.186 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.149 -7.569 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.540 -8.422 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.419 -8.816 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.693 -5.844 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.065 -6.978 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.202 -5.449 -1.183 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.904 -10.146 1.702 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.022 -10.639 2.487 1.00 0.00 C ATOM 1585 C GLN A 101 -7.956 -10.085 3.912 1.00 0.00 C ATOM 1586 O GLN A 101 -6.943 -10.235 4.593 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.055 -12.169 2.494 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.231 -12.688 3.324 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.836 -13.941 4.110 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.392 -13.879 5.244 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -9.022 -15.077 3.444 1.00 0.00 N ATOM 0 H GLN A 101 -6.006 -10.579 1.919 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.946 -10.291 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.135 -12.539 1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.120 -12.555 2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.565 -11.912 4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.071 -12.915 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.398 -15.057 2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.789 -15.969 3.881 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.049 -9.458 4.320 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.128 -8.881 5.651 1.00 0.00 C ATOM 1602 C ALA A 102 -9.736 -9.906 6.611 1.00 0.00 C ATOM 1603 O ALA A 102 -10.835 -10.407 6.376 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.935 -7.582 5.598 1.00 0.00 C ATOM 0 H ALA A 102 -9.888 -9.337 3.752 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.133 -8.632 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.994 -7.149 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.446 -6.877 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.941 -7.793 5.234 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.995 -10.187 7.673 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.447 -11.143 8.669 1.00 0.00 C ATOM 1612 C ALA A 103 -10.924 -10.890 8.979 1.00 0.00 C ATOM 1613 O ALA A 103 -11.743 -11.805 8.905 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.564 -11.040 9.914 1.00 0.00 C ATOM 0 H ALA A 103 -8.085 -9.769 7.865 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.359 -12.161 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.903 -11.757 10.661 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.530 -11.257 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.629 -10.032 10.323 1.00 0.00 H new ATOM 1620 N THR A 104 -11.219 -9.644 9.320 1.00 0.00 N ATOM 1621 CA THR A 104 -12.583 -9.259 9.641 1.00 0.00 C ATOM 1622 C THR A 104 -13.170 -8.395 8.524 1.00 0.00 C ATOM 1623 O THR A 104 -12.435 -7.866 7.692 1.00 0.00 O ATOM 1624 CB THR A 104 -12.569 -8.564 11.004 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.872 -7.344 10.764 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.697 -9.296 12.026 1.00 0.00 C ATOM 0 H THR A 104 -10.537 -8.888 9.381 1.00 0.00 H new ATOM 0 HA THR A 104 -13.234 -10.130 9.711 1.00 0.00 H new ATOM 0 HB THR A 104 -13.588 -8.489 11.384 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.678 -6.905 11.618 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.722 -8.761 12.975 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.076 -10.308 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.670 -9.341 11.662 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.525 -8.276 8.541 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.220 -7.485 7.540 1.00 0.00 C ATOM 1636 C PRO A 105 -15.050 -5.988 7.809 1.00 0.00 C ATOM 1637 O PRO A 105 -15.306 -5.164 6.933 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.668 -7.941 7.614 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.820 -8.629 8.961 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.428 -8.889 9.512 1.00 0.00 C ATOM 0 HA PRO A 105 -14.821 -7.632 6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.349 -7.094 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.905 -8.624 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.391 -8.003 9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.368 -9.565 8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.305 -8.448 10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.235 -9.957 9.613 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.620 -5.683 9.024 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.413 -4.300 9.419 1.00 0.00 C ATOM 1650 C LYS A 106 -13.022 -3.848 8.968 1.00 0.00 C ATOM 1651 O LYS A 106 -12.818 -2.676 8.654 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.659 -4.129 10.919 1.00 0.00 C ATOM 1653 CG LYS A 106 -13.345 -4.197 11.701 1.00 0.00 C ATOM 1654 CD LYS A 106 -13.594 -4.598 13.157 1.00 0.00 C ATOM 1655 CE LYS A 106 -13.522 -3.381 14.081 1.00 0.00 C ATOM 1656 NZ LYS A 106 -13.728 -3.786 15.489 1.00 0.00 N ATOM 0 H LYS A 106 -14.409 -6.370 9.748 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.135 -3.650 8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.148 -3.172 11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -15.337 -4.907 11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.675 -4.917 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.847 -3.228 11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.573 -5.069 13.246 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.855 -5.338 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.553 -2.893 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.279 -2.652 13.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.676 -2.948 16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.663 -4.231 15.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.990 -4.464 15.767 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.102 -4.801 8.950 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.737 -4.515 8.543 1.00 0.00 C ATOM 1672 C GLU A 107 -10.687 -4.180 7.051 1.00 0.00 C ATOM 1673 O GLU A 107 -9.969 -3.269 6.640 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.810 -5.687 8.873 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.352 -5.335 8.571 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.505 -5.369 9.845 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.705 -4.464 10.684 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.677 -6.299 9.951 1.00 0.00 O ATOM 0 H GLU A 107 -12.275 -5.772 9.211 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.386 -3.648 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.913 -5.952 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.104 -6.562 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.948 -6.038 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.299 -4.344 8.121 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.459 -4.933 6.282 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.512 -4.726 4.844 1.00 0.00 C ATOM 1687 C ARG A 108 -11.850 -3.268 4.530 1.00 0.00 C ATOM 1688 O ARG A 108 -11.206 -2.645 3.687 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.557 -5.637 4.195 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.817 -5.225 2.745 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.215 -4.624 2.588 1.00 0.00 C ATOM 1692 NE ARG A 108 -15.242 -5.646 2.889 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.519 -5.567 2.492 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.934 -4.513 1.776 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -17.382 -6.541 2.812 1.00 0.00 N ATOM 0 H ARG A 108 -12.053 -5.687 6.627 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.531 -4.970 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.214 -6.671 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.487 -5.592 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.068 -4.499 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.715 -6.092 2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.331 -3.772 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.348 -4.251 1.572 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.960 -6.462 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.278 -3.771 1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.906 -4.453 1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.067 -7.343 3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.354 -6.481 2.510 1.00 0.00 H new ATOM 1709 N THR A 109 -12.861 -2.765 5.224 1.00 0.00 N ATOM 1710 CA THR A 109 -13.292 -1.392 5.029 1.00 0.00 C ATOM 1711 C THR A 109 -12.231 -0.420 5.550 1.00 0.00 C ATOM 1712 O THR A 109 -11.949 0.595 4.915 1.00 0.00 O ATOM 1713 CB THR A 109 -14.654 -1.223 5.705 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.593 -1.539 4.680 1.00 0.00 O ATOM 1715 CG2 THR A 109 -14.959 0.235 6.054 1.00 0.00 C ATOM 0 H THR A 109 -13.394 -3.284 5.922 1.00 0.00 H new ATOM 0 HA THR A 109 -13.407 -1.161 3.970 1.00 0.00 H new ATOM 0 HB THR A 109 -14.685 -1.827 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.503 -1.456 5.033 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.937 0.298 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.197 0.613 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.960 0.834 5.144 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.673 -0.765 6.700 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.649 0.064 7.314 1.00 0.00 C ATOM 1725 C GLU A 110 -9.458 0.224 6.366 1.00 0.00 C ATOM 1726 O GLU A 110 -9.035 1.343 6.080 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.206 -0.517 8.658 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.263 -0.273 9.736 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.622 0.240 11.027 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -9.775 -0.501 11.573 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.992 1.360 11.439 1.00 0.00 O ATOM 0 H GLU A 110 -11.910 -1.608 7.224 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.073 1.050 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.028 -1.587 8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.262 -0.064 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.994 0.451 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.803 -1.198 9.937 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.952 -0.910 5.906 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.818 -0.909 4.997 1.00 0.00 C ATOM 1740 C TRP A 111 -8.131 0.055 3.852 1.00 0.00 C ATOM 1741 O TRP A 111 -7.422 1.041 3.654 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.500 -2.326 4.516 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.367 -3.006 5.286 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.447 -4.051 6.121 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -4.970 -2.643 5.259 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.210 -4.387 6.632 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.283 -3.503 6.090 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.309 -1.621 4.554 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -2.900 -3.430 6.296 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -2.927 -1.561 4.770 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.221 -2.420 5.604 1.00 0.00 C ATOM 0 H TRP A 111 -9.306 -1.836 6.145 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.917 -0.565 5.505 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.399 -2.937 4.599 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.236 -2.289 3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.365 -4.566 6.364 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.012 -5.144 7.286 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.827 -0.937 3.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.385 -4.115 6.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.371 -0.794 4.252 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.153 -2.309 5.718 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.194 -0.262 3.127 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.610 0.564 2.007 1.00 0.00 C ATOM 1764 C ILE A 112 -9.456 2.039 2.381 1.00 0.00 C ATOM 1765 O ILE A 112 -8.682 2.764 1.757 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.024 0.188 1.559 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.989 -0.906 0.490 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.798 1.422 1.091 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.972 -2.030 0.823 1.00 0.00 C ATOM 0 H ILE A 112 -9.780 -1.080 3.294 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.969 0.385 1.144 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.557 -0.219 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.236 -0.478 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.980 -1.311 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.799 1.126 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.870 2.138 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.277 1.882 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.927 -2.794 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.708 -2.472 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.983 -1.626 0.876 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.204 2.440 3.398 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.159 3.816 3.863 1.00 0.00 C ATOM 1783 C LYS A 113 -8.716 4.186 4.211 1.00 0.00 C ATOM 1784 O LYS A 113 -8.272 5.298 3.930 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.142 4.023 5.018 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.516 3.439 4.680 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.603 4.513 4.761 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.456 4.335 6.019 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.626 5.629 6.716 1.00 0.00 N ATOM 0 H LYS A 113 -10.845 1.836 3.913 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.481 4.495 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.754 3.550 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.238 5.087 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.497 3.011 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.750 2.627 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.143 5.501 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.238 4.461 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.431 3.929 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -13.984 3.614 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.207 5.491 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.694 6.001 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.096 6.306 6.082 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.024 3.232 4.816 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.640 3.444 5.205 1.00 0.00 C ATOM 1805 C ALA A 114 -5.826 3.853 3.975 1.00 0.00 C ATOM 1806 O ALA A 114 -5.176 4.898 3.976 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.096 2.177 5.868 1.00 0.00 C ATOM 0 H ALA A 114 -8.396 2.310 5.046 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.566 4.251 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.058 2.336 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.690 1.945 6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.152 1.346 5.165 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.889 3.009 2.956 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.166 3.270 1.722 1.00 0.00 C ATOM 1815 C ILE A 115 -5.629 4.606 1.138 1.00 0.00 C ATOM 1816 O ILE A 115 -4.812 5.406 0.684 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.313 2.093 0.756 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.595 0.852 1.291 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.834 2.472 -0.646 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.567 -0.319 1.448 1.00 0.00 C ATOM 0 H ILE A 115 -6.429 2.144 2.959 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.098 3.360 1.918 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.371 1.844 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.790 0.572 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.136 1.080 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.949 1.618 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.427 3.307 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.784 2.762 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.031 -1.188 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.357 -0.045 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.006 -0.560 0.480 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.938 4.807 1.168 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.520 6.033 0.647 1.00 0.00 C ATOM 1834 C GLN A 116 -6.917 7.249 1.355 1.00 0.00 C ATOM 1835 O GLN A 116 -6.444 8.179 0.703 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.043 6.018 0.784 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.644 4.795 0.090 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.657 5.213 -0.979 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.557 6.266 -1.587 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.633 4.331 -1.173 1.00 0.00 N ATOM 0 H GLN A 116 -7.613 4.141 1.545 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.285 6.102 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.317 6.013 1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.460 6.927 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.850 4.205 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.131 4.157 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.657 3.468 -0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.358 4.517 -1.866 1.00 0.00 H new ATOM 1849 N MET A 117 -6.954 7.202 2.678 1.00 0.00 N ATOM 1850 CA MET A 117 -6.418 8.288 3.481 1.00 0.00 C ATOM 1851 C MET A 117 -5.024 8.691 2.996 1.00 0.00 C ATOM 1852 O MET A 117 -4.737 9.877 2.839 1.00 0.00 O ATOM 1853 CB MET A 117 -6.343 7.851 4.945 1.00 0.00 C ATOM 1854 CG MET A 117 -4.922 8.008 5.492 1.00 0.00 C ATOM 1855 SD MET A 117 -4.917 7.762 7.260 1.00 0.00 S ATOM 1856 CE MET A 117 -5.466 6.065 7.338 1.00 0.00 C ATOM 0 H MET A 117 -7.347 6.429 3.215 1.00 0.00 H new ATOM 0 HA MET A 117 -7.079 9.149 3.383 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.034 8.446 5.542 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.658 6.811 5.035 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.258 7.287 5.015 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.539 9.000 5.254 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.301 5.675 8.342 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.528 6.015 7.099 1.00 0.00 H new ATOM 0 HE3 MET A 117 -4.904 5.467 6.620 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.195 7.682 2.772 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.838 7.917 2.308 1.00 0.00 C ATOM 1868 C ALA A 118 -2.878 8.430 0.867 1.00 0.00 C ATOM 1869 O ALA A 118 -2.506 9.571 0.601 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.021 6.631 2.447 1.00 0.00 C ATOM 0 H ALA A 118 -4.437 6.700 2.903 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.351 8.680 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.003 6.807 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.999 6.325 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.478 5.843 1.848 1.00 0.00 H new ATOM 1876 N SER A 119 -3.332 7.561 -0.024 1.00 0.00 N ATOM 1877 CA SER A 119 -3.425 7.911 -1.431 1.00 0.00 C ATOM 1878 C SER A 119 -4.002 9.320 -1.582 1.00 0.00 C ATOM 1879 O SER A 119 -3.636 10.049 -2.503 1.00 0.00 O ATOM 1880 CB SER A 119 -4.285 6.901 -2.194 1.00 0.00 C ATOM 1881 OG SER A 119 -5.613 6.837 -1.683 1.00 0.00 O ATOM 0 H SER A 119 -3.640 6.615 0.201 1.00 0.00 H new ATOM 0 HA SER A 119 -2.422 7.888 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.315 7.174 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.825 5.915 -2.133 1.00 0.00 H new ATOM 0 HG SER A 119 -5.661 7.327 -0.836 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.894 9.662 -0.664 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.525 10.970 -0.684 1.00 0.00 C ATOM 1889 C ARG A 120 -4.468 12.071 -0.565 1.00 0.00 C ATOM 1890 O ARG A 120 -4.535 13.078 -1.267 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.532 11.114 0.460 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.914 10.610 0.039 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.560 11.561 -0.971 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.879 11.036 -1.387 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.856 11.789 -1.912 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.667 13.104 -2.088 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -12.021 11.228 -2.261 1.00 0.00 N ATOM 0 H ARG A 120 -5.195 9.055 0.099 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.053 11.069 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.185 10.553 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.598 12.159 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.825 9.615 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.554 10.516 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.676 12.550 -0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.914 11.675 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.056 10.039 -1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.780 13.532 -1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.410 13.677 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.165 10.227 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.764 11.802 -2.660 1.00 0.00 H new