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 99:sc= 0.902 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -6.32! C(o=-5.4!,f=-6.7!) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 1.06 (180deg=0.596) USER MOD Single : A 21 GLN : amide:sc= -3.03! C(o=-3!,f=-6.9!) USER MOD Single : A 23 CYS SG : rot 180:sc= -0.402 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -7.61! C(o=-8.4!,f=-7.6!) USER MOD Single : A 50 TYR OH : rot 175:sc= -1.21 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.888 USER MOD Single : A 68 CYS SG : rot 140:sc= -2.55 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 :FLIP amide:sc= -0.953 F(o=-1.9!,f=-0.95) USER MOD Single : A 92 THR OG1 : rot 130:sc= -1.27 USER MOD Single : A 97 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-6.6!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0999 USER MOD Single : A 101 GLN : amide:sc= -0.855 K(o=-0.85,f=-1.4) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.101 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= -3.02 K(o=-3,f=-6!) USER MOD Single : A 117 MET CE :methyl 170:sc= -2.68! (180deg=-3.37!) USER MOD Single : A 119 SER OG : rot -25:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.729 8.887 7.692 1.00 0.00 N ATOM 224 CA VAL A 17 4.170 8.286 8.891 1.00 0.00 C ATOM 225 C VAL A 17 3.295 7.094 8.500 1.00 0.00 C ATOM 226 O VAL A 17 3.014 6.887 7.321 1.00 0.00 O ATOM 227 CB VAL A 17 3.416 9.342 9.702 1.00 0.00 C ATOM 228 CG1 VAL A 17 1.992 9.526 9.172 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.405 8.986 11.190 1.00 0.00 C ATOM 0 HA VAL A 17 4.964 7.907 9.534 1.00 0.00 H new ATOM 0 HB VAL A 17 3.942 10.290 9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.478 10.282 9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.030 9.846 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.453 8.581 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.863 9.753 11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.915 8.023 11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.429 8.929 11.558 1.00 0.00 H new ATOM 239 N ILE A 18 2.888 6.343 9.512 1.00 0.00 N ATOM 240 CA ILE A 18 2.050 5.177 9.289 1.00 0.00 C ATOM 241 C ILE A 18 0.615 5.497 9.711 1.00 0.00 C ATOM 242 O ILE A 18 0.371 6.496 10.386 1.00 0.00 O ATOM 243 CB ILE A 18 2.638 3.951 9.991 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.968 3.541 9.356 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.634 2.798 10.014 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.856 2.811 10.365 1.00 0.00 C ATOM 0 H ILE A 18 3.123 6.519 10.489 1.00 0.00 H new ATOM 0 HA ILE A 18 2.023 4.926 8.229 1.00 0.00 H new ATOM 0 HB ILE A 18 2.845 4.218 11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.781 2.896 8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.485 4.425 8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.077 1.939 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.736 3.108 10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.372 2.523 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.795 2.531 9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.061 3.467 11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.346 1.914 10.717 1.00 0.00 H new ATOM 258 N ILE A 19 -0.298 4.631 9.295 1.00 0.00 N ATOM 259 CA ILE A 19 -1.703 4.809 9.621 1.00 0.00 C ATOM 260 C ILE A 19 -2.326 3.447 9.935 1.00 0.00 C ATOM 261 O ILE A 19 -3.071 3.310 10.903 1.00 0.00 O ATOM 262 CB ILE A 19 -2.419 5.571 8.505 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.939 5.107 7.128 1.00 0.00 C ATOM 264 CG2 ILE A 19 -2.265 7.083 8.686 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.608 5.766 6.761 1.00 0.00 C ATOM 0 H ILE A 19 -0.092 3.804 8.735 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.812 5.423 10.515 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.484 5.346 8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.825 4.023 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.689 5.351 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.783 7.601 7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.694 7.380 9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.207 7.346 8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.289 5.419 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.731 6.849 6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.146 5.500 7.502 1.00 0.00 H new ATOM 277 N LYS A 20 -1.997 2.475 9.097 1.00 0.00 N ATOM 278 CA LYS A 20 -2.515 1.129 9.272 1.00 0.00 C ATOM 279 C LYS A 20 -1.372 0.123 9.121 1.00 0.00 C ATOM 280 O LYS A 20 -0.450 0.339 8.336 1.00 0.00 O ATOM 281 CB LYS A 20 -3.685 0.877 8.320 1.00 0.00 C ATOM 282 CG LYS A 20 -4.312 -0.496 8.572 1.00 0.00 C ATOM 283 CD LYS A 20 -5.804 -0.368 8.887 1.00 0.00 C ATOM 284 CE LYS A 20 -6.486 -1.738 8.873 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.659 -2.245 10.253 1.00 0.00 N ATOM 0 H LYS A 20 -1.378 2.593 8.295 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.919 1.005 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.438 1.654 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.339 0.939 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.175 -1.129 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.802 -0.986 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.935 0.097 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.279 0.286 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.457 -1.663 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.889 -2.442 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.696 -3.284 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.858 -1.935 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.545 -1.873 10.651 1.00 0.00 H new ATOM 299 N GLN A 21 -1.469 -0.954 9.887 1.00 0.00 N ATOM 300 CA GLN A 21 -0.455 -1.993 9.848 1.00 0.00 C ATOM 301 C GLN A 21 -1.062 -3.343 10.236 1.00 0.00 C ATOM 302 O GLN A 21 -1.952 -3.407 11.083 1.00 0.00 O ATOM 303 CB GLN A 21 0.725 -1.642 10.756 1.00 0.00 C ATOM 304 CG GLN A 21 1.634 -0.603 10.097 1.00 0.00 C ATOM 305 CD GLN A 21 2.846 -0.296 10.979 1.00 0.00 C ATOM 306 OE1 GLN A 21 3.976 -0.632 10.665 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.549 0.360 12.097 1.00 0.00 N ATOM 0 H GLN A 21 -2.234 -1.129 10.538 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.077 -2.066 8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.355 -1.256 11.706 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.298 -2.542 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.969 -0.971 9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.072 0.313 9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.581 0.611 12.299 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.289 0.612 12.752 1.00 0.00 H new ATOM 316 N GLY A 22 -0.558 -4.388 9.597 1.00 0.00 N ATOM 317 CA GLY A 22 -1.040 -5.733 9.865 1.00 0.00 C ATOM 318 C GLY A 22 -0.540 -6.716 8.804 1.00 0.00 C ATOM 319 O GLY A 22 0.455 -6.455 8.130 1.00 0.00 O ATOM 0 H GLY A 22 0.179 -4.331 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.704 -6.054 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.130 -5.736 9.884 1.00 0.00 H new ATOM 323 N CYS A 23 -1.255 -7.826 8.689 1.00 0.00 N ATOM 324 CA CYS A 23 -0.896 -8.849 7.721 1.00 0.00 C ATOM 325 C CYS A 23 -2.112 -9.116 6.832 1.00 0.00 C ATOM 326 O CYS A 23 -3.243 -9.149 7.314 1.00 0.00 O ATOM 327 CB CYS A 23 -0.398 -10.124 8.405 1.00 0.00 C ATOM 328 SG CYS A 23 1.185 -9.796 9.263 1.00 0.00 S ATOM 0 H CYS A 23 -2.080 -8.039 9.249 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.068 -8.498 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.142 -10.478 9.119 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.264 -10.914 7.666 1.00 0.00 H new ATOM 0 HG CYS A 23 1.598 -10.884 9.842 1.00 0.00 H new ATOM 334 N LEU A 24 -1.838 -9.301 5.549 1.00 0.00 N ATOM 335 CA LEU A 24 -2.896 -9.565 4.588 1.00 0.00 C ATOM 336 C LEU A 24 -2.507 -10.767 3.725 1.00 0.00 C ATOM 337 O LEU A 24 -1.353 -11.194 3.733 1.00 0.00 O ATOM 338 CB LEU A 24 -3.212 -8.305 3.781 1.00 0.00 C ATOM 339 CG LEU A 24 -3.878 -7.163 4.552 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.113 -5.953 3.646 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.170 -7.636 5.223 1.00 0.00 C ATOM 0 H LEU A 24 -0.899 -9.273 5.152 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.821 -9.827 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.283 -7.932 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.861 -8.583 2.950 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.200 -6.845 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.587 -5.156 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.159 -5.600 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.761 -6.239 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.624 -6.806 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.864 -7.996 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.944 -8.443 5.920 1.00 0.00 H new ATOM 353 N LEU A 25 -3.491 -11.278 3.001 1.00 0.00 N ATOM 354 CA LEU A 25 -3.266 -12.422 2.134 1.00 0.00 C ATOM 355 C LEU A 25 -3.203 -11.950 0.680 1.00 0.00 C ATOM 356 O LEU A 25 -4.235 -11.730 0.049 1.00 0.00 O ATOM 357 CB LEU A 25 -4.323 -13.500 2.385 1.00 0.00 C ATOM 358 CG LEU A 25 -4.544 -13.896 3.846 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.285 -14.530 4.439 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.026 -12.700 4.670 1.00 0.00 C ATOM 0 H LEU A 25 -4.446 -10.921 2.997 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.307 -12.889 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.272 -13.153 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.043 -14.393 1.826 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.330 -14.650 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.470 -14.802 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.025 -15.423 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.462 -13.817 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.176 -13.008 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.279 -11.907 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.967 -12.332 4.261 1.00 0.00 H new ATOM 372 N LYS A 26 -1.980 -11.810 0.190 1.00 0.00 N ATOM 373 CA LYS A 26 -1.768 -11.368 -1.178 1.00 0.00 C ATOM 374 C LYS A 26 -1.831 -12.576 -2.115 1.00 0.00 C ATOM 375 O LYS A 26 -0.959 -13.443 -2.075 1.00 0.00 O ATOM 376 CB LYS A 26 -0.466 -10.572 -1.288 1.00 0.00 C ATOM 377 CG LYS A 26 -0.413 -9.787 -2.601 1.00 0.00 C ATOM 378 CD LYS A 26 0.922 -9.054 -2.747 1.00 0.00 C ATOM 379 CE LYS A 26 1.672 -9.525 -3.995 1.00 0.00 C ATOM 380 NZ LYS A 26 3.080 -9.072 -3.956 1.00 0.00 N ATOM 0 H LYS A 26 -1.126 -11.995 0.716 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.560 -10.684 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.383 -9.885 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.385 -11.250 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.553 -10.467 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.232 -9.068 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.747 -7.980 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.535 -9.228 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.635 -10.612 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.183 -9.136 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.574 -9.400 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.109 -8.033 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.548 -9.464 -3.114 1.00 0.00 H new ATOM 394 N GLN A 27 -2.870 -12.595 -2.936 1.00 0.00 N ATOM 395 CA GLN A 27 -3.058 -13.682 -3.881 1.00 0.00 C ATOM 396 C GLN A 27 -1.850 -13.789 -4.814 1.00 0.00 C ATOM 397 O GLN A 27 -1.094 -12.831 -4.969 1.00 0.00 O ATOM 398 CB GLN A 27 -4.351 -13.498 -4.678 1.00 0.00 C ATOM 399 CG GLN A 27 -5.228 -14.749 -4.596 1.00 0.00 C ATOM 400 CD GLN A 27 -6.570 -14.526 -5.297 1.00 0.00 C ATOM 401 OE1 GLN A 27 -6.852 -13.465 -5.830 1.00 0.00 O ATOM 402 NE2 GLN A 27 -7.379 -15.580 -5.265 1.00 0.00 N ATOM 0 H GLN A 27 -3.591 -11.874 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.144 -14.613 -3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.900 -12.639 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.113 -13.284 -5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.710 -15.591 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.398 -15.010 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.080 -16.438 -4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.298 -15.531 -5.704 1.00 0.00 H new ATOM 543 N LYS A 35 -1.180 -16.623 0.810 1.00 0.00 N ATOM 544 CA LYS A 35 0.045 -16.533 1.586 1.00 0.00 C ATOM 545 C LYS A 35 0.001 -15.276 2.457 1.00 0.00 C ATOM 546 O LYS A 35 -0.115 -14.164 1.944 1.00 0.00 O ATOM 547 CB LYS A 35 1.267 -16.601 0.667 1.00 0.00 C ATOM 548 CG LYS A 35 2.158 -17.792 1.027 1.00 0.00 C ATOM 549 CD LYS A 35 3.593 -17.569 0.545 1.00 0.00 C ATOM 550 CE LYS A 35 4.378 -16.710 1.538 1.00 0.00 C ATOM 551 NZ LYS A 35 4.864 -17.535 2.667 1.00 0.00 N ATOM 0 HA LYS A 35 0.133 -17.385 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.942 -16.685 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.839 -15.677 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.152 -17.942 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.757 -18.700 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.091 -18.530 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.581 -17.084 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.222 -16.240 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.744 -15.907 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.395 -16.936 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.053 -17.963 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.486 -18.286 2.306 1.00 0.00 H new ATOM 565 N VAL A 36 0.095 -15.494 3.760 1.00 0.00 N ATOM 566 CA VAL A 36 0.067 -14.393 4.708 1.00 0.00 C ATOM 567 C VAL A 36 1.294 -13.507 4.490 1.00 0.00 C ATOM 568 O VAL A 36 2.384 -14.007 4.215 1.00 0.00 O ATOM 569 CB VAL A 36 -0.034 -14.934 6.136 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.273 -13.839 7.159 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.410 -15.553 6.391 1.00 0.00 C ATOM 0 H VAL A 36 0.191 -16.418 4.182 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.815 -13.773 4.547 1.00 0.00 H new ATOM 0 HB VAL A 36 0.713 -15.719 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.194 -14.249 8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.284 -13.464 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.440 -13.023 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.456 -15.930 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.181 -14.796 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.574 -16.374 5.694 1.00 0.00 H new ATOM 581 N ARG A 37 1.077 -12.206 4.620 1.00 0.00 N ATOM 582 CA ARG A 37 2.152 -11.246 4.441 1.00 0.00 C ATOM 583 C ARG A 37 1.871 -9.977 5.249 1.00 0.00 C ATOM 584 O ARG A 37 0.715 -9.599 5.435 1.00 0.00 O ATOM 585 CB ARG A 37 2.320 -10.876 2.966 1.00 0.00 C ATOM 586 CG ARG A 37 3.800 -10.778 2.590 1.00 0.00 C ATOM 587 CD ARG A 37 4.222 -11.958 1.712 1.00 0.00 C ATOM 588 NE ARG A 37 3.871 -11.689 0.299 1.00 0.00 N ATOM 589 CZ ARG A 37 4.036 -12.570 -0.697 1.00 0.00 C ATOM 590 NH1 ARG A 37 4.547 -13.782 -0.441 1.00 0.00 N ATOM 591 NH2 ARG A 37 3.689 -12.239 -1.948 1.00 0.00 N ATOM 0 H ARG A 37 0.172 -11.795 4.847 1.00 0.00 H new ATOM 0 HA ARG A 37 3.073 -11.710 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.831 -11.624 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.827 -9.924 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.983 -9.843 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.408 -10.757 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.295 -12.124 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.728 -12.869 2.051 1.00 0.00 H new ATOM 0 HE ARG A 37 3.479 -10.776 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.810 -14.034 0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.673 -14.453 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.299 -11.317 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.815 -12.909 -2.706 1.00 0.00 H new ATOM 605 N LYS A 38 2.947 -9.355 5.707 1.00 0.00 N ATOM 606 CA LYS A 38 2.831 -8.137 6.491 1.00 0.00 C ATOM 607 C LYS A 38 2.735 -6.936 5.548 1.00 0.00 C ATOM 608 O LYS A 38 3.566 -6.777 4.654 1.00 0.00 O ATOM 609 CB LYS A 38 3.977 -8.038 7.499 1.00 0.00 C ATOM 610 CG LYS A 38 3.532 -7.301 8.765 1.00 0.00 C ATOM 611 CD LYS A 38 4.574 -6.266 9.192 1.00 0.00 C ATOM 612 CE LYS A 38 4.014 -5.338 10.272 1.00 0.00 C ATOM 613 NZ LYS A 38 4.438 -5.790 11.616 1.00 0.00 N ATOM 0 H LYS A 38 3.904 -9.672 5.550 1.00 0.00 H new ATOM 0 HA LYS A 38 1.916 -8.151 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.325 -9.038 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.820 -7.515 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.577 -6.808 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.375 -8.018 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.463 -6.773 9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.884 -5.679 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.360 -4.319 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.926 -5.319 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.049 -5.149 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.087 -6.754 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.476 -5.785 11.672 1.00 0.00 H new ATOM 627 N PHE A 39 1.716 -6.123 5.778 1.00 0.00 N ATOM 628 CA PHE A 39 1.501 -4.941 4.960 1.00 0.00 C ATOM 629 C PHE A 39 1.427 -3.682 5.826 1.00 0.00 C ATOM 630 O PHE A 39 0.578 -3.581 6.710 1.00 0.00 O ATOM 631 CB PHE A 39 0.163 -5.132 4.242 1.00 0.00 C ATOM 632 CG PHE A 39 0.284 -5.795 2.868 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.235 -7.149 2.760 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.440 -5.029 1.755 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.347 -7.764 1.485 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.551 -5.644 0.480 1.00 0.00 C ATOM 637 CZ PHE A 39 0.502 -6.999 0.372 1.00 0.00 C ATOM 0 H PHE A 39 1.029 -6.259 6.520 1.00 0.00 H new ATOM 0 HA PHE A 39 2.326 -4.818 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.492 -5.737 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.317 -4.160 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.111 -7.757 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.479 -3.953 1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.309 -8.840 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.674 -5.036 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.586 -7.467 -0.598 1.00 0.00 H new ATOM 647 N ILE A 40 2.327 -2.752 5.540 1.00 0.00 N ATOM 648 CA ILE A 40 2.374 -1.503 6.281 1.00 0.00 C ATOM 649 C ILE A 40 2.002 -0.348 5.349 1.00 0.00 C ATOM 650 O ILE A 40 2.499 -0.266 4.227 1.00 0.00 O ATOM 651 CB ILE A 40 3.735 -1.333 6.958 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.008 -2.478 7.935 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.845 0.036 7.633 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.455 -2.442 8.432 1.00 0.00 C ATOM 0 H ILE A 40 3.029 -2.839 4.805 1.00 0.00 H new ATOM 0 HA ILE A 40 1.641 -1.511 7.088 1.00 0.00 H new ATOM 0 HB ILE A 40 4.507 -1.375 6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.327 -2.407 8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.811 -3.432 7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.822 0.131 8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.726 0.821 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.065 0.133 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.622 -3.267 9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.133 -2.537 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.641 -1.497 8.941 1.00 0.00 H new ATOM 666 N LEU A 41 1.130 0.516 5.848 1.00 0.00 N ATOM 667 CA LEU A 41 0.686 1.663 5.074 1.00 0.00 C ATOM 668 C LEU A 41 1.303 2.935 5.657 1.00 0.00 C ATOM 669 O LEU A 41 1.366 3.098 6.874 1.00 0.00 O ATOM 670 CB LEU A 41 -0.842 1.699 4.999 1.00 0.00 C ATOM 671 CG LEU A 41 -1.452 2.936 4.337 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.197 2.932 2.828 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.941 3.056 4.666 1.00 0.00 C ATOM 0 H LEU A 41 0.719 0.445 6.779 1.00 0.00 H new ATOM 0 HA LEU A 41 1.031 1.584 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.180 0.817 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.238 1.621 6.012 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.960 3.819 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.641 3.822 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.123 2.929 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.645 2.042 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.350 3.944 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.466 2.172 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.070 3.138 5.745 1.00 0.00 H new ATOM 685 N ARG A 42 1.744 3.805 4.760 1.00 0.00 N ATOM 686 CA ARG A 42 2.354 5.059 5.170 1.00 0.00 C ATOM 687 C ARG A 42 1.874 6.201 4.272 1.00 0.00 C ATOM 688 O ARG A 42 2.064 6.163 3.057 1.00 0.00 O ATOM 689 CB ARG A 42 3.880 4.975 5.105 1.00 0.00 C ATOM 690 CG ARG A 42 4.380 3.635 5.647 1.00 0.00 C ATOM 691 CD ARG A 42 5.710 3.803 6.384 1.00 0.00 C ATOM 692 NE ARG A 42 6.124 2.513 6.981 1.00 0.00 N ATOM 693 CZ ARG A 42 6.727 1.529 6.300 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.989 1.681 4.994 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.067 0.393 6.923 1.00 0.00 N ATOM 0 H ARG A 42 1.691 3.666 3.751 1.00 0.00 H new ATOM 0 HA ARG A 42 2.055 5.253 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.211 5.100 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.317 5.790 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.637 3.212 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.502 2.929 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.476 4.156 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.611 4.559 7.163 1.00 0.00 H new ATOM 0 HE ARG A 42 5.939 2.364 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.729 2.546 4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.448 0.932 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.867 0.277 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.526 -0.356 6.404 1.00 0.00 H new ATOM 709 N GLU A 43 1.261 7.191 4.905 1.00 0.00 N ATOM 710 CA GLU A 43 0.753 8.342 4.179 1.00 0.00 C ATOM 711 C GLU A 43 1.720 9.520 4.307 1.00 0.00 C ATOM 712 O GLU A 43 2.326 9.719 5.359 1.00 0.00 O ATOM 713 CB GLU A 43 -0.645 8.725 4.668 1.00 0.00 C ATOM 714 CG GLU A 43 -0.621 9.112 6.148 1.00 0.00 C ATOM 715 CD GLU A 43 -1.542 10.304 6.419 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.641 11.161 5.515 1.00 0.00 O ATOM 717 OE2 GLU A 43 -2.127 10.330 7.523 1.00 0.00 O ATOM 0 H GLU A 43 1.105 7.219 5.913 1.00 0.00 H new ATOM 0 HA GLU A 43 0.673 8.076 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.025 9.558 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.328 7.889 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.933 8.262 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.398 9.360 6.446 1.00 0.00 H new ATOM 724 N ASP A 44 1.835 10.271 3.222 1.00 0.00 N ATOM 725 CA ASP A 44 2.719 11.424 3.199 1.00 0.00 C ATOM 726 C ASP A 44 4.107 11.007 3.688 1.00 0.00 C ATOM 727 O ASP A 44 4.482 11.296 4.823 1.00 0.00 O ATOM 728 CB ASP A 44 2.205 12.530 4.123 1.00 0.00 C ATOM 729 CG ASP A 44 2.855 13.900 3.917 1.00 0.00 C ATOM 730 OD1 ASP A 44 2.842 14.365 2.757 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.350 14.450 4.924 1.00 0.00 O ATOM 0 H ASP A 44 1.330 10.103 2.352 1.00 0.00 H new ATOM 0 HA ASP A 44 2.759 11.798 2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.129 12.630 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.363 12.222 5.156 1.00 0.00 H new ATOM 736 N PRO A 45 4.851 10.316 2.784 1.00 0.00 N ATOM 737 CA PRO A 45 4.332 10.016 1.460 1.00 0.00 C ATOM 738 C PRO A 45 3.297 8.890 1.520 1.00 0.00 C ATOM 739 O PRO A 45 3.141 8.240 2.553 1.00 0.00 O ATOM 740 CB PRO A 45 5.553 9.656 0.631 1.00 0.00 C ATOM 741 CG PRO A 45 6.649 9.316 1.627 1.00 0.00 C ATOM 742 CD PRO A 45 6.202 9.805 2.996 1.00 0.00 C ATOM 0 HA PRO A 45 3.800 10.857 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.345 8.810 -0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.850 10.488 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.828 8.241 1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.587 9.791 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.209 8.997 3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.865 10.583 3.374 1.00 0.00 H new ATOM 750 N ALA A 46 2.616 8.696 0.401 1.00 0.00 N ATOM 751 CA ALA A 46 1.600 7.660 0.313 1.00 0.00 C ATOM 752 C ALA A 46 2.206 6.411 -0.329 1.00 0.00 C ATOM 753 O ALA A 46 2.267 6.305 -1.553 1.00 0.00 O ATOM 754 CB ALA A 46 0.396 8.191 -0.467 1.00 0.00 C ATOM 0 H ALA A 46 2.747 9.238 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 46 1.248 7.382 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.366 7.414 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.015 9.060 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.710 8.477 -1.471 1.00 0.00 H new ATOM 760 N TYR A 47 2.639 5.496 0.525 1.00 0.00 N ATOM 761 CA TYR A 47 3.238 4.257 0.056 1.00 0.00 C ATOM 762 C TYR A 47 2.863 3.087 0.968 1.00 0.00 C ATOM 763 O TYR A 47 2.709 3.262 2.176 1.00 0.00 O ATOM 764 CB TYR A 47 4.751 4.472 0.117 1.00 0.00 C ATOM 765 CG TYR A 47 5.358 4.995 -1.186 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.312 4.221 -2.328 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.953 6.240 -1.220 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.883 4.713 -3.555 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.525 6.732 -2.446 1.00 0.00 C ATOM 770 CZ TYR A 47 6.462 5.944 -3.553 1.00 0.00 C ATOM 771 OH TYR A 47 7.001 6.409 -4.712 1.00 0.00 O ATOM 0 H TYR A 47 2.587 5.587 1.540 1.00 0.00 H new ATOM 0 HA TYR A 47 2.890 4.018 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.976 5.176 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.232 3.529 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.848 3.246 -2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.989 6.845 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.852 4.118 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.993 7.704 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 47 6.370 7.022 -5.143 1.00 0.00 H new ATOM 781 N LEU A 48 2.728 1.921 0.355 1.00 0.00 N ATOM 782 CA LEU A 48 2.374 0.722 1.097 1.00 0.00 C ATOM 783 C LEU A 48 3.479 -0.322 0.927 1.00 0.00 C ATOM 784 O LEU A 48 3.658 -0.871 -0.159 1.00 0.00 O ATOM 785 CB LEU A 48 0.988 0.224 0.681 1.00 0.00 C ATOM 786 CG LEU A 48 0.652 -1.219 1.062 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.478 -2.210 0.238 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.821 -1.443 2.566 1.00 0.00 C ATOM 0 H LEU A 48 2.857 1.780 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 48 2.302 0.940 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.239 0.880 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.897 0.324 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.397 -1.399 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.220 -3.228 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.264 -2.069 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.539 -2.039 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.576 -2.477 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.853 -1.238 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.155 -0.774 3.111 1.00 0.00 H new ATOM 800 N HIS A 49 4.193 -0.565 2.017 1.00 0.00 N ATOM 801 CA HIS A 49 5.276 -1.533 2.002 1.00 0.00 C ATOM 802 C HIS A 49 4.862 -2.778 2.790 1.00 0.00 C ATOM 803 O HIS A 49 4.151 -2.676 3.789 1.00 0.00 O ATOM 804 CB HIS A 49 6.572 -0.907 2.520 1.00 0.00 C ATOM 805 CG HIS A 49 7.154 0.144 1.606 1.00 0.00 C ATOM 806 ND1 HIS A 49 8.221 0.096 0.757 1.00 0.00 N flip ATOM 807 CD2 HIS A 49 6.629 1.421 1.501 1.00 0.00 C flip ATOM 808 CE1 HIS A 49 8.340 1.278 0.165 1.00 0.00 C flip ATOM 809 NE2 HIS A 49 7.355 2.101 0.625 1.00 0.00 N flip ATOM 0 H HIS A 49 4.042 -0.108 2.916 1.00 0.00 H new ATOM 0 HA HIS A 49 5.476 -1.844 0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.383 -0.461 3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.311 -1.695 2.667 1.00 0.00 H new ATOM 0 HD1 HIS A 49 8.825 -0.711 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.773 1.799 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.093 1.544 -0.562 1.00 0.00 H new ATOM 817 N TYR A 50 5.325 -3.923 2.311 1.00 0.00 N ATOM 818 CA TYR A 50 5.012 -5.186 2.959 1.00 0.00 C ATOM 819 C TYR A 50 6.282 -5.998 3.219 1.00 0.00 C ATOM 820 O TYR A 50 7.215 -5.971 2.418 1.00 0.00 O ATOM 821 CB TYR A 50 4.122 -5.953 1.979 1.00 0.00 C ATOM 822 CG TYR A 50 4.564 -5.841 0.518 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.209 -4.736 -0.228 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.318 -6.846 -0.053 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.625 -4.631 -1.602 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.734 -6.741 -1.428 1.00 0.00 C ATOM 827 CZ TYR A 50 5.367 -5.639 -2.134 1.00 0.00 C ATOM 828 OH TYR A 50 5.760 -5.540 -3.433 1.00 0.00 O ATOM 0 H TYR A 50 5.914 -4.003 1.482 1.00 0.00 H new ATOM 0 HA TYR A 50 4.526 -5.015 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.108 -7.005 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.100 -5.585 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.619 -3.950 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.596 -7.711 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.354 -3.771 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.324 -7.520 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 50 6.350 -6.291 -3.654 1.00 0.00 H new ATOM 838 N TYR A 51 6.276 -6.702 4.341 1.00 0.00 N ATOM 839 CA TYR A 51 7.416 -7.520 4.717 1.00 0.00 C ATOM 840 C TYR A 51 6.972 -8.928 5.120 1.00 0.00 C ATOM 841 O TYR A 51 5.786 -9.169 5.342 1.00 0.00 O ATOM 842 CB TYR A 51 8.049 -6.832 5.929 1.00 0.00 C ATOM 843 CG TYR A 51 8.129 -5.309 5.808 1.00 0.00 C ATOM 844 CD1 TYR A 51 6.972 -4.556 5.799 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.357 -4.688 5.707 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.047 -3.122 5.685 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.432 -3.255 5.593 1.00 0.00 C ATOM 848 CZ TYR A 51 8.274 -2.543 5.588 1.00 0.00 C ATOM 849 OH TYR A 51 8.345 -1.189 5.481 1.00 0.00 O ATOM 0 H TYR A 51 5.500 -6.723 5.002 1.00 0.00 H new ATOM 0 HA TYR A 51 8.110 -7.617 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.474 -7.086 6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.054 -7.228 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.011 -5.042 5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.262 -5.277 5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.150 -2.521 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.387 -2.757 5.513 1.00 0.00 H new ATOM 0 HH TYR A 51 9.284 -0.914 5.421 1.00 0.00 H new ATOM 859 N ASP A 52 7.947 -9.821 5.201 1.00 0.00 N ATOM 860 CA ASP A 52 7.671 -11.198 5.573 1.00 0.00 C ATOM 861 C ASP A 52 7.286 -11.255 7.053 1.00 0.00 C ATOM 862 O ASP A 52 7.960 -10.667 7.897 1.00 0.00 O ATOM 863 CB ASP A 52 8.904 -12.081 5.372 1.00 0.00 C ATOM 864 CG ASP A 52 8.882 -13.407 6.134 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.136 -14.306 5.688 1.00 0.00 O ATOM 866 OD2 ASP A 52 9.612 -13.493 7.145 1.00 0.00 O ATOM 0 H ASP A 52 8.929 -9.618 5.015 1.00 0.00 H new ATOM 0 HA ASP A 52 6.860 -11.561 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.011 -12.293 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.788 -11.520 5.676 1.00 0.00 H new ATOM 871 N PRO A 53 6.174 -11.988 7.330 1.00 0.00 N ATOM 872 CA PRO A 53 5.691 -12.129 8.693 1.00 0.00 C ATOM 873 C PRO A 53 6.569 -13.097 9.488 1.00 0.00 C ATOM 874 O PRO A 53 6.744 -12.934 10.694 1.00 0.00 O ATOM 875 CB PRO A 53 4.255 -12.607 8.553 1.00 0.00 C ATOM 876 CG PRO A 53 4.134 -13.159 7.142 1.00 0.00 C ATOM 877 CD PRO A 53 5.350 -12.698 6.356 1.00 0.00 C ATOM 0 HA PRO A 53 5.733 -11.195 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.025 -13.373 9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.554 -11.788 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.082 -14.248 7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.218 -12.804 6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.886 -13.543 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.064 -12.047 5.530 1.00 0.00 H new ATOM 885 N ALA A 54 7.097 -14.085 8.779 1.00 0.00 N ATOM 886 CA ALA A 54 7.953 -15.079 9.404 1.00 0.00 C ATOM 887 C ALA A 54 9.088 -14.374 10.148 1.00 0.00 C ATOM 888 O ALA A 54 9.629 -14.909 11.115 1.00 0.00 O ATOM 889 CB ALA A 54 8.467 -16.051 8.340 1.00 0.00 C ATOM 0 H ALA A 54 6.948 -14.218 7.779 1.00 0.00 H new ATOM 0 HA ALA A 54 7.393 -15.662 10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.109 -16.797 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.622 -16.548 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.036 -15.502 7.590 1.00 0.00 H new ATOM 895 N GLY A 55 9.417 -13.184 9.668 1.00 0.00 N ATOM 896 CA GLY A 55 10.479 -12.400 10.276 1.00 0.00 C ATOM 897 C GLY A 55 11.489 -11.936 9.224 1.00 0.00 C ATOM 898 O GLY A 55 12.187 -12.753 8.626 1.00 0.00 O ATOM 0 H GLY A 55 8.967 -12.744 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.052 -11.534 10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.987 -12.995 11.035 1.00 0.00 H new ATOM 902 N ALA A 56 11.534 -10.626 9.030 1.00 0.00 N ATOM 903 CA ALA A 56 12.447 -10.044 8.061 1.00 0.00 C ATOM 904 C ALA A 56 12.671 -8.569 8.401 1.00 0.00 C ATOM 905 O ALA A 56 12.197 -8.085 9.427 1.00 0.00 O ATOM 906 CB ALA A 56 11.886 -10.239 6.651 1.00 0.00 C ATOM 0 H ALA A 56 10.953 -9.951 9.527 1.00 0.00 H new ATOM 0 HA ALA A 56 13.416 -10.542 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.570 -9.803 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.772 -11.304 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.915 -9.749 6.575 1.00 0.00 H new ATOM 912 N GLU A 57 13.394 -7.895 7.518 1.00 0.00 N ATOM 913 CA GLU A 57 13.688 -6.485 7.711 1.00 0.00 C ATOM 914 C GLU A 57 13.211 -5.674 6.505 1.00 0.00 C ATOM 915 O GLU A 57 12.300 -4.856 6.623 1.00 0.00 O ATOM 916 CB GLU A 57 15.180 -6.265 7.965 1.00 0.00 C ATOM 917 CG GLU A 57 15.489 -4.781 8.171 1.00 0.00 C ATOM 918 CD GLU A 57 16.249 -4.555 9.480 1.00 0.00 C ATOM 919 OE1 GLU A 57 15.989 -5.328 10.427 1.00 0.00 O ATOM 920 OE2 GLU A 57 17.072 -3.614 9.503 1.00 0.00 O ATOM 0 H GLU A 57 13.785 -8.299 6.667 1.00 0.00 H new ATOM 0 HA GLU A 57 13.149 -6.139 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.490 -6.830 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.756 -6.646 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.081 -4.410 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.560 -4.211 8.183 1.00 0.00 H new ATOM 927 N ASP A 58 13.849 -5.928 5.372 1.00 0.00 N ATOM 928 CA ASP A 58 13.502 -5.231 4.145 1.00 0.00 C ATOM 929 C ASP A 58 12.172 -5.772 3.616 1.00 0.00 C ATOM 930 O ASP A 58 11.955 -6.982 3.592 1.00 0.00 O ATOM 931 CB ASP A 58 14.564 -5.452 3.067 1.00 0.00 C ATOM 932 CG ASP A 58 14.784 -6.911 2.664 1.00 0.00 C ATOM 933 OD1 ASP A 58 15.485 -7.611 3.427 1.00 0.00 O ATOM 934 OD2 ASP A 58 14.245 -7.295 1.603 1.00 0.00 O ATOM 0 H ASP A 58 14.604 -6.607 5.278 1.00 0.00 H new ATOM 0 HA ASP A 58 13.432 -4.167 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.283 -4.884 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.510 -5.042 3.421 1.00 0.00 H new ATOM 939 N PRO A 59 11.293 -4.823 3.193 1.00 0.00 N ATOM 940 CA PRO A 59 9.991 -5.191 2.666 1.00 0.00 C ATOM 941 C PRO A 59 10.113 -5.759 1.250 1.00 0.00 C ATOM 942 O PRO A 59 10.762 -5.162 0.392 1.00 0.00 O ATOM 943 CB PRO A 59 9.167 -3.915 2.725 1.00 0.00 C ATOM 944 CG PRO A 59 10.168 -2.778 2.845 1.00 0.00 C ATOM 945 CD PRO A 59 11.516 -3.380 3.206 1.00 0.00 C ATOM 0 HA PRO A 59 9.514 -5.984 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.555 -3.804 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.487 -3.928 3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.235 -2.228 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.850 -2.068 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.284 -3.091 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.852 -3.040 4.186 1.00 0.00 H new ATOM 953 N LEU A 60 9.478 -6.905 1.049 1.00 0.00 N ATOM 954 CA LEU A 60 9.508 -7.559 -0.247 1.00 0.00 C ATOM 955 C LEU A 60 9.395 -6.504 -1.349 1.00 0.00 C ATOM 956 O LEU A 60 10.141 -6.540 -2.327 1.00 0.00 O ATOM 957 CB LEU A 60 8.433 -8.646 -0.324 1.00 0.00 C ATOM 958 CG LEU A 60 8.364 -9.606 0.865 1.00 0.00 C ATOM 959 CD1 LEU A 60 9.752 -9.830 1.470 1.00 0.00 C ATOM 960 CD2 LEU A 60 7.357 -9.118 1.907 1.00 0.00 C ATOM 0 H LEU A 60 8.940 -7.397 1.763 1.00 0.00 H new ATOM 0 HA LEU A 60 10.459 -8.072 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.462 -8.162 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.600 -9.231 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 60 8.010 -10.572 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.675 -10.516 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.413 -10.255 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.157 -8.878 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.328 -9.819 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.656 -8.135 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.368 -9.052 1.454 1.00 0.00 H new ATOM 972 N GLY A 61 8.456 -5.589 -1.155 1.00 0.00 N ATOM 973 CA GLY A 61 8.236 -4.526 -2.120 1.00 0.00 C ATOM 974 C GLY A 61 7.274 -3.473 -1.565 1.00 0.00 C ATOM 975 O GLY A 61 6.922 -3.507 -0.387 1.00 0.00 O ATOM 0 H GLY A 61 7.839 -5.562 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.187 -4.057 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.831 -4.944 -3.041 1.00 0.00 H new ATOM 979 N ALA A 62 6.876 -2.562 -2.441 1.00 0.00 N ATOM 980 CA ALA A 62 5.962 -1.501 -2.054 1.00 0.00 C ATOM 981 C ALA A 62 4.956 -1.264 -3.182 1.00 0.00 C ATOM 982 O ALA A 62 5.105 -1.806 -4.276 1.00 0.00 O ATOM 983 CB ALA A 62 6.758 -0.241 -1.709 1.00 0.00 C ATOM 0 H ALA A 62 7.170 -2.537 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 62 5.400 -1.785 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.072 0.555 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.437 -0.454 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.333 0.075 -2.579 1.00 0.00 H new ATOM 989 N ILE A 63 3.954 -0.452 -2.877 1.00 0.00 N ATOM 990 CA ILE A 63 2.924 -0.137 -3.852 1.00 0.00 C ATOM 991 C ILE A 63 2.690 1.375 -3.870 1.00 0.00 C ATOM 992 O ILE A 63 2.277 1.955 -2.867 1.00 0.00 O ATOM 993 CB ILE A 63 1.658 -0.951 -3.577 1.00 0.00 C ATOM 994 CG1 ILE A 63 1.948 -2.452 -3.637 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.528 -0.547 -4.527 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.045 -3.224 -2.672 1.00 0.00 C ATOM 0 H ILE A 63 3.834 -0.003 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 63 3.248 -0.422 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 63 1.322 -0.728 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.795 -2.815 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.993 -2.634 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.360 -1.141 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.299 0.510 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.839 -0.722 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.272 -4.288 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.218 -2.875 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.001 -3.059 -2.940 1.00 0.00 H new ATOM 1008 N HIS A 64 2.965 1.971 -5.021 1.00 0.00 N ATOM 1009 CA HIS A 64 2.790 3.404 -5.182 1.00 0.00 C ATOM 1010 C HIS A 64 1.319 3.769 -4.974 1.00 0.00 C ATOM 1011 O HIS A 64 0.436 3.183 -5.599 1.00 0.00 O ATOM 1012 CB HIS A 64 3.330 3.869 -6.536 1.00 0.00 C ATOM 1013 CG HIS A 64 3.884 5.274 -6.528 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.221 5.954 -7.686 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.154 6.119 -5.492 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.673 7.153 -7.350 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.632 7.253 -5.990 1.00 0.00 N ATOM 0 H HIS A 64 3.308 1.487 -5.851 1.00 0.00 H new ATOM 0 HA HIS A 64 3.370 3.931 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.113 3.183 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.530 3.809 -7.274 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.136 5.593 -8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.004 5.902 -4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.014 7.917 -8.033 1.00 0.00 H new ATOM 1025 N LEU A 65 1.100 4.734 -4.094 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.249 5.184 -3.796 1.00 0.00 C ATOM 1027 C LEU A 65 -0.462 6.576 -4.393 1.00 0.00 C ATOM 1028 O LEU A 65 -1.484 7.213 -4.143 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.517 5.112 -2.291 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.226 3.768 -1.621 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.190 3.910 -0.099 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.226 2.701 -2.074 1.00 0.00 C ATOM 0 H LEU A 65 1.835 5.217 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.982 4.523 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.082 5.878 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.563 5.364 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 65 0.763 3.437 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.019 2.940 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.591 4.616 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.154 4.275 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.997 1.755 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.236 3.013 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.158 2.574 -3.155 1.00 0.00 H new ATOM 1044 N ARG A 66 0.520 7.008 -5.170 1.00 0.00 N ATOM 1045 CA ARG A 66 0.453 8.314 -5.805 1.00 0.00 C ATOM 1046 C ARG A 66 -0.883 8.484 -6.530 1.00 0.00 C ATOM 1047 O ARG A 66 -1.663 9.376 -6.200 1.00 0.00 O ATOM 1048 CB ARG A 66 1.596 8.499 -6.806 1.00 0.00 C ATOM 1049 CG ARG A 66 2.555 9.598 -6.345 1.00 0.00 C ATOM 1050 CD ARG A 66 3.190 10.308 -7.543 1.00 0.00 C ATOM 1051 NE ARG A 66 3.159 11.774 -7.336 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.466 12.672 -8.282 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.827 12.261 -9.505 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.410 13.982 -8.004 1.00 0.00 N ATOM 0 H ARG A 66 1.367 6.477 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 66 0.544 9.068 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.140 7.561 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.189 8.753 -7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.017 10.321 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.335 9.166 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.219 9.972 -7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.653 10.050 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 66 2.887 12.122 -6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.868 11.264 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.061 12.945 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.134 14.294 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.643 14.666 -8.723 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.107 7.614 -7.504 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.336 7.656 -8.278 1.00 0.00 C ATOM 1070 C GLY A 67 -3.037 6.297 -8.269 1.00 0.00 C ATOM 1071 O GLY A 67 -3.631 5.894 -9.268 1.00 0.00 O ATOM 0 H GLY A 67 -0.458 6.875 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.002 8.415 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.114 7.948 -9.304 1.00 0.00 H new ATOM 1075 N CYS A 68 -2.944 5.626 -7.130 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.562 4.320 -6.978 1.00 0.00 C ATOM 1077 C CYS A 68 -5.073 4.516 -6.843 1.00 0.00 C ATOM 1078 O CYS A 68 -5.561 5.645 -6.871 1.00 0.00 O ATOM 1079 CB CYS A 68 -2.978 3.552 -5.790 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.611 4.251 -4.222 1.00 0.00 S ATOM 0 H CYS A 68 -2.450 5.963 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.353 3.712 -7.858 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.244 2.497 -5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.890 3.608 -5.810 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.873 3.286 -3.391 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.772 3.400 -6.700 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.218 3.435 -6.561 1.00 0.00 C ATOM 1088 C VAL A 69 -7.665 2.302 -5.635 1.00 0.00 C ATOM 1089 O VAL A 69 -7.021 1.255 -5.574 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.878 3.376 -7.940 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.399 3.505 -7.826 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.305 4.448 -8.869 1.00 0.00 C ATOM 0 H VAL A 69 -5.364 2.465 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.535 4.372 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.656 2.402 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.844 3.460 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.789 2.689 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.649 4.458 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.791 4.384 -9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.482 5.434 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.233 4.291 -8.988 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.764 2.549 -4.938 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.304 1.562 -4.018 1.00 0.00 C ATOM 1104 C VAL A 70 -10.690 1.127 -4.500 1.00 0.00 C ATOM 1105 O VAL A 70 -11.460 1.943 -5.004 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.314 2.124 -2.595 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.156 1.246 -1.666 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.891 2.283 -2.058 1.00 0.00 C ATOM 0 H VAL A 70 -9.295 3.418 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.674 0.673 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.771 3.113 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.147 1.667 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.181 1.206 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.740 0.239 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.927 2.684 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.396 1.312 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.334 2.966 -2.699 1.00 0.00 H new ATOM 1118 N THR A 71 -10.965 -0.157 -4.327 1.00 0.00 N ATOM 1119 CA THR A 71 -12.245 -0.710 -4.737 1.00 0.00 C ATOM 1120 C THR A 71 -12.541 -1.998 -3.967 1.00 0.00 C ATOM 1121 O THR A 71 -11.664 -2.539 -3.294 1.00 0.00 O ATOM 1122 CB THR A 71 -12.211 -0.903 -6.254 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.489 -0.448 -6.690 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.184 -2.380 -6.656 1.00 0.00 C ATOM 0 H THR A 71 -10.324 -0.831 -3.909 1.00 0.00 H new ATOM 0 HA THR A 71 -13.064 -0.031 -4.499 1.00 0.00 H new ATOM 0 HB THR A 71 -11.336 -0.399 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.553 -0.536 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.160 -2.461 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.297 -2.855 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.076 -2.877 -6.274 1.00 0.00 H new ATOM 1132 N SER A 72 -13.779 -2.453 -4.090 1.00 0.00 N ATOM 1133 CA SER A 72 -14.202 -3.667 -3.414 1.00 0.00 C ATOM 1134 C SER A 72 -14.523 -4.754 -4.442 1.00 0.00 C ATOM 1135 O SER A 72 -14.856 -4.451 -5.587 1.00 0.00 O ATOM 1136 CB SER A 72 -15.416 -3.406 -2.521 1.00 0.00 C ATOM 1137 OG SER A 72 -15.739 -2.020 -2.450 1.00 0.00 O ATOM 0 H SER A 72 -14.504 -2.002 -4.649 1.00 0.00 H new ATOM 0 HA SER A 72 -13.384 -4.007 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.274 -3.959 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.216 -3.783 -1.518 1.00 0.00 H new ATOM 0 HG SER A 72 -16.520 -1.895 -1.872 1.00 0.00 H new ATOM 1143 N VAL A 73 -14.413 -5.997 -3.997 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.688 -7.130 -4.864 1.00 0.00 C ATOM 1145 C VAL A 73 -16.111 -7.629 -4.607 1.00 0.00 C ATOM 1146 O VAL A 73 -16.875 -6.993 -3.884 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.628 -8.214 -4.660 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -12.251 -7.728 -5.117 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.590 -8.676 -3.202 1.00 0.00 C ATOM 0 H VAL A 73 -14.137 -6.244 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.632 -6.833 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.902 -9.070 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.516 -8.518 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.289 -7.471 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.966 -6.848 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.828 -9.447 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.352 -7.829 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.563 -9.082 -2.923 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.127 -14.812 3.153 1.00 0.00 N ATOM 1319 CA GLU A 85 -12.801 -13.775 3.916 1.00 0.00 C ATOM 1320 C GLU A 85 -13.048 -12.546 3.039 1.00 0.00 C ATOM 1321 O GLU A 85 -13.106 -12.654 1.815 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.000 -13.405 5.166 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.483 -14.658 5.877 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.220 -14.378 7.358 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -12.178 -13.941 8.031 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -10.067 -14.608 7.783 1.00 0.00 O ATOM 0 HA GLU A 85 -13.765 -14.162 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.161 -12.767 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.627 -12.829 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.211 -15.463 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.565 -14.999 5.399 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.188 -11.406 3.699 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.427 -10.158 2.995 1.00 0.00 C ATOM 1335 C ASN A 86 -12.174 -9.775 2.204 1.00 0.00 C ATOM 1336 O ASN A 86 -11.110 -9.564 2.784 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.733 -9.023 3.974 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.967 -9.346 4.820 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -14.684 -9.827 6.027 1.00 0.00 O flip ATOM 1340 ND2 ASN A 86 -16.100 -9.170 4.403 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.140 -11.320 4.714 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.280 -10.303 2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.874 -8.858 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.898 -8.097 3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.246 -8.797 3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.901 -9.396 4.992 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.343 -9.697 0.892 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.239 -9.343 0.016 1.00 0.00 C ATOM 1349 C LEU A 87 -11.535 -7.999 -0.653 1.00 0.00 C ATOM 1350 O LEU A 87 -12.617 -7.441 -0.480 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.957 -10.474 -0.974 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.385 -11.875 -0.532 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.497 -12.819 -1.731 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.442 -12.423 0.542 1.00 0.00 C ATOM 0 H LEU A 87 -13.227 -9.873 0.415 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.321 -9.218 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.459 -10.242 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.887 -10.491 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.377 -11.803 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.803 -13.808 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.238 -12.432 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.530 -12.891 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.768 -13.420 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.429 -12.477 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.456 -11.763 1.410 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.554 -7.519 -1.403 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.696 -6.252 -2.099 1.00 0.00 C ATOM 1368 C PHE A 88 -9.548 -6.037 -3.088 1.00 0.00 C ATOM 1369 O PHE A 88 -8.449 -6.553 -2.890 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.651 -5.151 -1.037 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.458 -5.254 -0.085 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -9.519 -6.077 0.996 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -8.335 -4.522 -0.319 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -8.412 -6.172 1.880 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -7.228 -4.617 0.564 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.290 -5.440 1.645 1.00 0.00 C ATOM 0 H PHE A 88 -9.658 -7.985 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.630 -6.239 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.623 -4.181 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.572 -5.184 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.410 -6.659 1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.286 -3.868 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.461 -6.825 2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.337 -4.036 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.448 -5.512 2.317 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.843 -5.276 -4.131 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.850 -4.988 -5.152 1.00 0.00 C ATOM 1388 C GLU A 89 -8.310 -3.566 -4.980 1.00 0.00 C ATOM 1389 O GLU A 89 -9.074 -2.634 -4.734 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.429 -5.189 -6.553 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.315 -5.291 -7.597 1.00 0.00 C ATOM 1392 CD GLU A 89 -8.010 -6.752 -7.933 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -7.801 -7.523 -6.972 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -7.992 -7.065 -9.143 1.00 0.00 O ATOM 0 H GLU A 89 -10.756 -4.850 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.022 -5.687 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.035 -6.095 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.089 -4.358 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.610 -4.760 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.414 -4.805 -7.222 1.00 0.00 H new ATOM 1401 N ILE A 90 -6.998 -3.445 -5.117 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.348 -2.152 -4.981 1.00 0.00 C ATOM 1403 C ILE A 90 -5.503 -1.877 -6.227 1.00 0.00 C ATOM 1404 O ILE A 90 -4.422 -2.443 -6.385 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.556 -2.087 -3.674 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.469 -2.313 -2.467 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.781 -0.772 -3.568 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.677 -2.244 -1.160 1.00 0.00 C ATOM 0 H ILE A 90 -6.367 -4.220 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.090 -1.356 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.823 -2.894 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.259 -1.562 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.955 -3.285 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.226 -0.751 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.085 -0.692 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.479 0.065 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.349 -2.408 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.904 -3.012 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.212 -1.262 -1.067 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.028 -1.009 -7.079 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.336 -0.652 -8.305 1.00 0.00 C ATOM 1422 C ILE A 91 -4.256 0.386 -7.993 1.00 0.00 C ATOM 1423 O ILE A 91 -4.488 1.313 -7.218 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.335 -0.199 -9.372 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.519 -1.164 -9.459 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.645 -0.013 -10.725 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.837 -0.402 -9.607 1.00 0.00 C ATOM 0 H ILE A 91 -6.925 -0.542 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.830 -1.522 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.733 0.772 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.385 -1.834 -10.308 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.553 -1.786 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.377 0.309 -11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.864 0.742 -10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.202 -0.958 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.663 -1.111 -9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.980 0.249 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.809 0.200 -10.515 1.00 0.00 H new ATOM 1439 N THR A 92 -3.100 0.196 -8.612 1.00 0.00 N ATOM 1440 CA THR A 92 -1.985 1.105 -8.409 1.00 0.00 C ATOM 1441 C THR A 92 -1.923 2.134 -9.540 1.00 0.00 C ATOM 1442 O THR A 92 -2.883 2.292 -10.293 1.00 0.00 O ATOM 1443 CB THR A 92 -0.711 0.268 -8.279 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.686 -0.514 -9.470 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.803 -0.767 -7.156 1.00 0.00 C ATOM 0 H THR A 92 -2.912 -0.574 -9.254 1.00 0.00 H new ATOM 0 HA THR A 92 -2.107 1.683 -7.493 1.00 0.00 H new ATOM 0 HB THR A 92 0.139 0.926 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.194 -0.436 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.127 -1.334 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.969 -0.259 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.632 -1.446 -7.354 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.784 2.805 -9.624 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.584 3.814 -10.651 1.00 0.00 C ATOM 1455 C ALA A 93 -0.262 3.127 -11.979 1.00 0.00 C ATOM 1456 O ALA A 93 -0.412 3.725 -13.044 1.00 0.00 O ATOM 1457 CB ALA A 93 0.518 4.779 -10.211 1.00 0.00 C ATOM 0 H ALA A 93 0.010 2.670 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.492 4.400 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.668 5.536 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.227 5.263 -9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.446 4.227 -10.059 1.00 0.00 H new ATOM 1463 N ASP A 94 0.174 1.881 -11.874 1.00 0.00 N ATOM 1464 CA ASP A 94 0.518 1.106 -13.054 1.00 0.00 C ATOM 1465 C ASP A 94 -0.691 0.272 -13.482 1.00 0.00 C ATOM 1466 O ASP A 94 -0.619 -0.478 -14.454 1.00 0.00 O ATOM 1467 CB ASP A 94 1.675 0.148 -12.765 1.00 0.00 C ATOM 1468 CG ASP A 94 2.646 -0.063 -13.928 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.407 0.888 -14.212 1.00 0.00 O ATOM 1470 OD2 ASP A 94 2.606 -1.170 -14.508 1.00 0.00 O ATOM 0 H ASP A 94 0.297 1.388 -10.989 1.00 0.00 H new ATOM 0 HA ASP A 94 0.813 1.801 -13.840 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.234 0.525 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.263 -0.819 -12.476 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.774 0.430 -12.734 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.996 -0.299 -13.024 1.00 0.00 C ATOM 1477 C GLU A 95 -2.942 -1.695 -12.401 1.00 0.00 C ATOM 1478 O GLU A 95 -3.889 -2.471 -12.524 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.242 -0.381 -14.532 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.920 0.951 -15.213 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.815 1.172 -16.435 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -5.023 1.407 -16.218 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.269 1.102 -17.557 1.00 0.00 O ATOM 0 H GLU A 95 -1.830 1.052 -11.928 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.832 0.243 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.627 -1.171 -14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.282 -0.648 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.057 1.768 -14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.873 0.965 -15.517 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.825 -1.973 -11.746 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.635 -3.262 -11.103 1.00 0.00 C ATOM 1492 C VAL A 96 -2.735 -3.475 -10.061 1.00 0.00 C ATOM 1493 O VAL A 96 -3.015 -2.586 -9.258 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.226 -3.349 -10.511 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.031 -4.733 -9.911 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.832 -3.001 -11.560 1.00 0.00 C ATOM 0 H VAL A 96 -1.042 -1.327 -11.647 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.718 -4.068 -11.832 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.154 -2.616 -9.707 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.039 -4.769 -9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.693 -4.927 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.069 -5.491 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.824 -3.070 -11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.760 -3.698 -12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.667 -1.986 -11.920 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.329 -4.658 -10.108 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.393 -4.999 -9.179 1.00 0.00 C ATOM 1508 C HIS A 97 -3.874 -6.012 -8.155 1.00 0.00 C ATOM 1509 O HIS A 97 -3.103 -6.906 -8.497 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.631 -5.495 -9.928 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.947 -4.709 -11.178 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.072 -3.912 -11.298 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.275 -4.607 -12.360 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.067 -3.360 -12.503 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.952 -3.792 -13.160 1.00 0.00 N ATOM 0 H HIS A 97 -3.094 -5.393 -10.775 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.704 -4.108 -8.633 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.486 -6.542 -10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.490 -5.453 -9.258 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.348 -5.105 -12.604 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.814 -2.687 -12.896 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.683 -3.532 -14.109 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.320 -5.836 -6.920 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.911 -6.724 -5.844 1.00 0.00 C ATOM 1525 C TYR A 98 -5.116 -7.173 -5.016 1.00 0.00 C ATOM 1526 O TYR A 98 -5.909 -6.346 -4.567 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.973 -5.904 -4.955 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.604 -5.631 -5.581 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.682 -6.651 -5.698 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.291 -4.363 -6.028 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.606 -6.393 -6.287 1.00 0.00 C ATOM 1532 CE2 TYR A 98 -0.002 -4.105 -6.617 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.883 -5.133 -6.717 1.00 0.00 C ATOM 1534 OH TYR A 98 2.100 -4.890 -7.274 1.00 0.00 O ATOM 0 H TYR A 98 -4.960 -5.093 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.433 -7.618 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.450 -4.952 -4.721 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.831 -6.430 -4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.927 -7.643 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.012 -3.565 -5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.336 -7.183 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.256 -3.118 -6.971 1.00 0.00 H new ATOM 0 HH TYR A 98 2.158 -3.947 -7.536 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.217 -8.482 -4.838 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.312 -9.051 -4.071 1.00 0.00 C ATOM 1546 C PHE A 99 -5.843 -9.480 -2.679 1.00 0.00 C ATOM 1547 O PHE A 99 -5.129 -10.471 -2.539 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.799 -10.284 -4.834 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.582 -9.959 -6.108 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.899 -9.630 -6.032 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.959 -9.998 -7.317 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.625 -9.328 -7.214 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.685 -9.696 -8.499 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.003 -9.367 -8.423 1.00 0.00 C ATOM 0 H PHE A 99 -4.558 -9.165 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.102 -8.311 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.939 -10.900 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.429 -10.881 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.393 -9.598 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.913 -10.259 -7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.671 -9.067 -7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.191 -9.727 -9.459 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.555 -9.137 -9.322 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.263 -8.711 -1.685 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.895 -8.999 -0.309 1.00 0.00 C ATOM 1566 C LEU A 100 -7.121 -9.517 0.445 1.00 0.00 C ATOM 1567 O LEU A 100 -8.238 -9.463 -0.068 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.246 -7.774 0.339 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.063 -7.164 -0.415 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.034 -8.235 -0.781 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.539 -6.384 -1.643 1.00 0.00 C ATOM 0 H LEU A 100 -6.855 -7.889 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.142 -9.787 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.009 -7.005 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.910 -8.051 1.338 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.567 -6.454 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.204 -7.774 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.662 -8.708 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.502 -8.987 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.679 -5.961 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.073 -7.055 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.204 -5.580 -1.328 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.871 -10.006 1.650 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.941 -10.533 2.480 1.00 0.00 C ATOM 1585 C GLN A 101 -7.782 -10.049 3.923 1.00 0.00 C ATOM 1586 O GLN A 101 -6.687 -10.098 4.481 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.983 -12.061 2.417 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.038 -12.621 3.373 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.396 -13.520 4.432 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -7.928 -13.070 5.464 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.402 -14.813 4.119 1.00 0.00 N ATOM 0 H GLN A 101 -5.943 -10.049 2.072 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.890 -10.160 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.204 -12.380 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.004 -12.466 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.566 -11.800 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.779 -13.188 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.811 -15.122 3.237 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.998 -15.495 4.761 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.891 -9.591 4.486 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.888 -9.098 5.852 1.00 0.00 C ATOM 1602 C ALA A 102 -9.566 -10.125 6.762 1.00 0.00 C ATOM 1603 O ALA A 102 -10.466 -10.843 6.330 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.573 -7.731 5.904 1.00 0.00 C ATOM 0 H ALA A 102 -9.798 -9.551 4.020 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.867 -8.964 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.570 -7.362 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.036 -7.030 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.601 -7.826 5.555 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.108 -10.161 8.005 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.659 -11.087 8.979 1.00 0.00 C ATOM 1612 C ALA A 103 -11.127 -10.740 9.233 1.00 0.00 C ATOM 1613 O ALA A 103 -12.020 -11.512 8.888 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.820 -11.043 10.257 1.00 0.00 C ATOM 0 H ALA A 103 -8.361 -9.563 8.360 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.623 -12.108 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.234 -11.738 10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.793 -11.326 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.835 -10.033 10.667 1.00 0.00 H new ATOM 1620 N THR A 104 -11.332 -9.577 9.833 1.00 0.00 N ATOM 1621 CA THR A 104 -12.676 -9.117 10.137 1.00 0.00 C ATOM 1622 C THR A 104 -13.257 -8.346 8.951 1.00 0.00 C ATOM 1623 O THR A 104 -12.521 -7.919 8.063 1.00 0.00 O ATOM 1624 CB THR A 104 -12.614 -8.294 11.426 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.483 -7.447 11.243 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.251 -9.143 12.646 1.00 0.00 C ATOM 0 H THR A 104 -10.589 -8.939 10.117 1.00 0.00 H new ATOM 0 HA THR A 104 -13.353 -9.955 10.302 1.00 0.00 H new ATOM 0 HB THR A 104 -13.576 -7.810 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.370 -6.877 12.032 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.221 -8.511 13.533 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.000 -9.923 12.782 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.274 -9.601 12.493 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.608 -8.187 8.975 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.297 -7.475 7.912 1.00 0.00 C ATOM 1636 C PRO A 105 -15.082 -5.965 8.036 1.00 0.00 C ATOM 1637 O PRO A 105 -15.221 -5.233 7.057 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.755 -7.881 8.047 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.905 -8.434 9.455 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.512 -8.680 10.010 1.00 0.00 C ATOM 0 HA PRO A 105 -14.918 -7.727 6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.414 -7.027 7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -17.022 -8.631 7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.448 -7.730 10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.480 -9.360 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.362 -8.151 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.346 -9.739 10.209 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.748 -5.544 9.247 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.513 -4.135 9.511 1.00 0.00 C ATOM 1650 C LYS A 106 -13.131 -3.745 8.983 1.00 0.00 C ATOM 1651 O LYS A 106 -12.941 -2.633 8.492 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.713 -3.828 10.996 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.618 -2.324 11.263 1.00 0.00 C ATOM 1654 CD LYS A 106 -15.998 -1.730 11.552 1.00 0.00 C ATOM 1655 CE LYS A 106 -16.198 -0.414 10.798 1.00 0.00 C ATOM 1656 NZ LYS A 106 -16.425 0.698 11.747 1.00 0.00 N ATOM 0 H LYS A 106 -14.635 -6.154 10.056 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.242 -3.521 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.686 -4.198 11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.961 -4.354 11.584 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.956 -2.142 12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.177 -1.825 10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.772 -2.441 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.107 -1.560 12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.322 -0.203 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.048 -0.501 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.559 1.584 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.274 0.502 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.602 0.791 12.376 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.201 -4.681 9.102 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.842 -4.449 8.643 1.00 0.00 C ATOM 1672 C GLU A 107 -10.832 -4.163 7.140 1.00 0.00 C ATOM 1673 O GLU A 107 -10.340 -3.122 6.706 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.939 -5.637 8.981 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.523 -5.420 8.443 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.476 -5.940 9.429 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.454 -7.172 9.636 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.721 -5.093 9.954 1.00 0.00 O ATOM 0 H GLU A 107 -12.362 -5.602 9.510 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.447 -3.576 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.904 -5.776 10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.358 -6.549 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.412 -5.930 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.359 -4.358 8.259 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.380 -5.105 6.386 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.440 -4.967 4.941 1.00 0.00 C ATOM 1687 C ARG A 108 -11.753 -3.519 4.559 1.00 0.00 C ATOM 1688 O ARG A 108 -11.082 -2.939 3.706 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.506 -5.887 4.344 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.440 -5.883 2.815 1.00 0.00 C ATOM 1691 CD ARG A 108 -13.841 -5.800 2.206 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.217 -4.385 1.990 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.480 -3.951 1.880 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.496 -4.820 1.965 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.726 -2.649 1.685 1.00 0.00 N ATOM 0 H ARG A 108 -11.787 -5.967 6.749 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.467 -5.250 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.365 -6.902 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.495 -5.563 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.841 -5.038 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.941 -6.787 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.868 -6.340 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.563 -6.280 2.867 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.467 -3.697 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.308 -5.811 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.458 -4.490 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.952 -1.988 1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.687 -2.319 1.601 1.00 0.00 H new ATOM 1709 N THR A 109 -12.772 -2.976 5.208 1.00 0.00 N ATOM 1710 CA THR A 109 -13.183 -1.607 4.946 1.00 0.00 C ATOM 1711 C THR A 109 -12.121 -0.627 5.450 1.00 0.00 C ATOM 1712 O THR A 109 -11.661 0.234 4.702 1.00 0.00 O ATOM 1713 CB THR A 109 -14.557 -1.395 5.584 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.475 -1.825 4.582 1.00 0.00 O ATOM 1715 CG2 THR A 109 -14.889 0.085 5.782 1.00 0.00 C ATOM 0 H THR A 109 -13.326 -3.459 5.915 1.00 0.00 H new ATOM 0 HA THR A 109 -13.274 -1.419 3.876 1.00 0.00 H new ATOM 0 HB THR A 109 -14.593 -1.907 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.392 -1.723 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.875 0.179 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.143 0.541 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.886 0.591 4.816 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.764 -0.790 6.716 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.766 0.069 7.328 1.00 0.00 C ATOM 1725 C GLU A 110 -9.554 0.217 6.406 1.00 0.00 C ATOM 1726 O GLU A 110 -9.153 1.333 6.076 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.348 -0.466 8.700 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.431 -0.196 9.747 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.810 0.227 11.080 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -9.927 1.111 11.040 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.233 -0.343 12.109 1.00 0.00 O ATOM 0 H GLU A 110 -12.149 -1.505 7.334 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.207 1.055 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.160 -1.538 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.414 0.004 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.101 0.586 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.035 -1.092 9.891 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.006 -0.923 6.015 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.848 -0.935 5.136 1.00 0.00 C ATOM 1740 C TRP A 111 -8.140 -0.004 3.958 1.00 0.00 C ATOM 1741 O TRP A 111 -7.438 0.986 3.755 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.504 -2.360 4.701 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.304 -2.963 5.435 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.298 -3.966 6.322 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -4.925 -2.556 5.307 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.022 -4.235 6.774 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.161 -3.350 6.137 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.343 -1.549 4.515 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -2.772 -3.220 6.256 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -2.954 -1.433 4.646 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.170 -2.225 5.477 1.00 0.00 C ATOM 0 H TRP A 111 -9.342 -1.846 6.290 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.964 -0.570 5.658 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.373 -2.998 4.862 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.301 -2.363 3.630 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.181 -4.498 6.644 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.759 -4.951 7.451 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.922 -0.916 3.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.196 -3.854 6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.456 -0.675 4.060 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.102 -2.073 5.521 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.177 -0.354 3.211 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.570 0.438 2.058 1.00 0.00 C ATOM 1764 C ILE A 112 -9.429 1.924 2.393 1.00 0.00 C ATOM 1765 O ILE A 112 -8.620 2.626 1.788 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.972 0.043 1.590 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.907 -1.052 0.524 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.754 1.267 1.107 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.654 -2.307 0.981 1.00 0.00 C ATOM 0 H ILE A 112 -9.757 -1.175 3.382 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.909 0.237 1.215 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.512 -0.369 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.340 -0.685 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.866 -1.300 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.747 0.959 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.847 1.984 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.226 1.731 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.592 -3.070 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.203 -2.685 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.700 -2.061 1.166 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.228 2.359 3.356 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.202 3.749 3.778 1.00 0.00 C ATOM 1783 C LYS A 113 -8.770 4.137 4.153 1.00 0.00 C ATOM 1784 O LYS A 113 -8.304 5.219 3.799 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.216 3.987 4.899 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.558 3.327 4.573 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.692 3.964 5.378 1.00 0.00 C ATOM 1788 CE LYS A 113 -13.449 3.815 6.881 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.385 4.670 7.645 1.00 0.00 N ATOM 0 H LYS A 113 -10.897 1.774 3.856 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.506 4.401 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.828 3.587 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.359 5.058 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.765 3.423 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.506 2.261 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.775 5.020 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.640 3.496 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.577 2.773 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.421 4.089 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.206 4.557 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.244 5.665 7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.364 4.390 7.432 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.113 3.233 4.864 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.743 3.468 5.290 1.00 0.00 C ATOM 1805 C ALA A 114 -5.889 3.827 4.072 1.00 0.00 C ATOM 1806 O ALA A 114 -5.285 4.898 4.028 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.219 2.233 6.026 1.00 0.00 C ATOM 0 H ALA A 114 -8.503 2.337 5.156 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.695 4.307 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.192 2.409 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.842 2.038 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.249 1.372 5.359 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.866 2.912 3.114 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.097 3.119 1.900 1.00 0.00 C ATOM 1815 C ILE A 115 -5.508 4.447 1.261 1.00 0.00 C ATOM 1816 O ILE A 115 -4.656 5.228 0.840 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.238 1.917 0.964 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.683 0.648 1.615 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.587 2.198 -0.392 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.666 -0.516 1.472 1.00 0.00 C ATOM 0 H ILE A 115 -6.368 2.025 3.155 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.034 3.191 2.131 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.299 1.748 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.732 0.384 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.484 0.833 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.702 1.328 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.068 3.059 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.527 2.407 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.248 -1.406 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.608 -0.258 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.844 -0.714 0.415 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.814 4.662 1.208 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.349 5.882 0.627 1.00 0.00 C ATOM 1834 C GLN A 116 -6.749 7.107 1.320 1.00 0.00 C ATOM 1835 O GLN A 116 -6.109 7.938 0.677 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.877 5.903 0.704 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.476 4.662 0.038 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.478 5.055 -1.050 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.390 6.107 -1.660 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.432 4.151 -1.258 1.00 0.00 N ATOM 0 H GLN A 116 -7.518 4.012 1.558 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.071 5.911 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.192 5.948 1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.257 6.801 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.680 4.058 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.971 4.045 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.447 3.290 -0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.148 4.319 -1.964 1.00 0.00 H new ATOM 1849 N MET A 117 -6.976 7.181 2.623 1.00 0.00 N ATOM 1850 CA MET A 117 -6.466 8.290 3.411 1.00 0.00 C ATOM 1851 C MET A 117 -5.043 8.657 2.984 1.00 0.00 C ATOM 1852 O MET A 117 -4.719 9.835 2.837 1.00 0.00 O ATOM 1853 CB MET A 117 -6.472 7.911 4.893 1.00 0.00 C ATOM 1854 CG MET A 117 -5.064 7.994 5.486 1.00 0.00 C ATOM 1855 SD MET A 117 -5.133 7.761 7.255 1.00 0.00 S ATOM 1856 CE MET A 117 -5.810 6.111 7.324 1.00 0.00 C ATOM 0 H MET A 117 -7.507 6.490 3.153 1.00 0.00 H new ATOM 0 HA MET A 117 -7.110 9.154 3.246 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.140 8.576 5.439 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.862 6.900 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.425 7.234 5.035 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.620 8.962 5.255 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.755 5.738 8.347 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.851 6.131 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.238 5.455 6.667 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.231 7.627 2.796 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.851 7.826 2.389 1.00 0.00 C ATOM 1868 C ALA A 118 -2.816 8.302 0.935 1.00 0.00 C ATOM 1869 O ALA A 118 -2.460 9.447 0.662 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.065 6.529 2.596 1.00 0.00 C ATOM 0 H ALA A 118 -4.503 6.652 2.918 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.378 8.595 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.029 6.678 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.096 6.249 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.509 5.735 1.996 1.00 0.00 H new ATOM 1876 N SER A 119 -3.191 7.399 0.041 1.00 0.00 N ATOM 1877 CA SER A 119 -3.207 7.713 -1.378 1.00 0.00 C ATOM 1878 C SER A 119 -3.645 9.164 -1.588 1.00 0.00 C ATOM 1879 O SER A 119 -2.914 9.957 -2.178 1.00 0.00 O ATOM 1880 CB SER A 119 -4.132 6.763 -2.141 1.00 0.00 C ATOM 1881 OG SER A 119 -5.452 6.756 -1.603 1.00 0.00 O ATOM 0 H SER A 119 -3.486 6.450 0.271 1.00 0.00 H new ATOM 0 HA SER A 119 -2.197 7.585 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.170 7.058 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.722 5.754 -2.108 1.00 0.00 H new ATOM 0 HG SER A 119 -5.422 7.016 -0.659 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.837 9.466 -1.093 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.381 10.808 -1.219 1.00 0.00 C ATOM 1889 C ARG A 120 -4.601 11.782 -0.335 1.00 0.00 C ATOM 1890 O ARG A 120 -4.368 12.927 -0.721 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.858 10.842 -0.824 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.730 10.200 -1.905 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.352 8.895 -1.405 1.00 0.00 C ATOM 1894 NE ARG A 120 -8.388 7.899 -2.499 1.00 0.00 N ATOM 1895 CZ ARG A 120 -9.191 7.986 -3.568 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.028 9.024 -3.694 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -9.155 7.035 -4.512 1.00 0.00 N ATOM 0 H ARG A 120 -5.441 8.805 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.289 11.107 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.998 10.316 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.172 11.874 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.518 10.893 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.129 10.004 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.775 8.505 -0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.361 9.081 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.762 7.096 -2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.054 9.748 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.639 9.090 -4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.516 6.245 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.766 7.101 -5.326 1.00 0.00 H new