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 Set 1.1: A 47 TYR OH : rot 48:sc= 0.366 USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= -6.9! C(o=-8.5!,f=-6.5!) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -4.54! (180deg=-5.01!) USER MOD Single : A 21 GLN : amide:sc= -4.64! C(o=-4.6!,f=-4.6!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= 0.521 (180deg=0.0398) USER MOD Single : A 27 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.2) 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 : no HD1:sc= -1.47 K(o=-1.5,f=-2.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.217 USER MOD Single : A 68 CYS SG : rot -78:sc= -1.19! 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= -0.384 X(o=-0.38,f=-0.005) USER MOD Single : A 92 THR OG1 : rot 150:sc= -0.6 USER MOD Single : A 97 HIS : no HD1:sc= -4.45! C(o=-4.4!,f=-6.7!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0899 X(o=-0.09,f=-0.098) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.5!) USER MOD Single : A 117 MET CE :methyl 174:sc= -1.98 (180deg=-2.36) USER MOD Single : A 119 SER OG : rot -21:sc= -0.55 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.953 8.576 9.017 1.00 0.00 N ATOM 224 CA VAL A 17 4.457 7.662 10.032 1.00 0.00 C ATOM 225 C VAL A 17 3.418 6.729 9.408 1.00 0.00 C ATOM 226 O VAL A 17 2.834 7.047 8.373 1.00 0.00 O ATOM 227 CB VAL A 17 3.914 8.450 11.225 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.636 9.203 10.849 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.676 7.532 12.426 1.00 0.00 C ATOM 0 HA VAL A 17 5.266 7.039 10.413 1.00 0.00 H new ATOM 0 HB VAL A 17 4.665 9.186 11.510 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.271 9.755 11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.849 9.900 10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.876 8.491 10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.290 8.117 13.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.953 6.762 12.158 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.616 7.062 12.716 1.00 0.00 H new ATOM 239 N ILE A 18 3.218 5.595 10.063 1.00 0.00 N ATOM 240 CA ILE A 18 2.259 4.613 9.586 1.00 0.00 C ATOM 241 C ILE A 18 0.860 4.992 10.077 1.00 0.00 C ATOM 242 O ILE A 18 0.719 5.751 11.035 1.00 0.00 O ATOM 243 CB ILE A 18 2.690 3.202 9.989 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.728 2.646 9.011 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.479 2.277 10.127 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.745 1.762 9.736 1.00 0.00 C ATOM 0 H ILE A 18 3.704 5.334 10.921 1.00 0.00 H new ATOM 0 HA ILE A 18 2.226 4.612 8.496 1.00 0.00 H new ATOM 0 HB ILE A 18 3.166 3.256 10.968 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.228 2.069 8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.244 3.469 8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.813 1.280 10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.807 2.669 10.891 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.952 2.222 9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.471 1.380 9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.260 2.349 10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.229 0.927 10.210 1.00 0.00 H new ATOM 258 N ILE A 19 -0.139 4.447 9.398 1.00 0.00 N ATOM 259 CA ILE A 19 -1.521 4.719 9.753 1.00 0.00 C ATOM 260 C ILE A 19 -2.212 3.408 10.135 1.00 0.00 C ATOM 261 O ILE A 19 -2.998 3.369 11.080 1.00 0.00 O ATOM 262 CB ILE A 19 -2.224 5.479 8.627 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.815 4.933 7.258 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.974 6.984 8.742 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.626 5.712 6.690 1.00 0.00 C ATOM 0 H ILE A 19 -0.018 3.818 8.604 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.569 5.371 10.625 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.298 5.322 8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.555 3.878 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.658 4.997 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.485 7.501 7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.355 7.344 9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.904 7.181 8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.355 5.304 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.898 6.762 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.223 5.626 7.368 1.00 0.00 H new ATOM 277 N LYS A 20 -1.894 2.367 9.380 1.00 0.00 N ATOM 278 CA LYS A 20 -2.474 1.058 9.627 1.00 0.00 C ATOM 279 C LYS A 20 -1.552 -0.021 9.054 1.00 0.00 C ATOM 280 O LYS A 20 -1.107 0.081 7.912 1.00 0.00 O ATOM 281 CB LYS A 20 -3.904 0.995 9.087 1.00 0.00 C ATOM 282 CG LYS A 20 -4.594 -0.303 9.512 1.00 0.00 C ATOM 283 CD LYS A 20 -5.006 -1.130 8.292 1.00 0.00 C ATOM 284 CE LYS A 20 -6.460 -1.592 8.408 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.376 -0.430 8.385 1.00 0.00 N ATOM 0 H LYS A 20 -1.242 2.403 8.597 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.554 0.873 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.473 1.850 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.889 1.064 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.922 -0.887 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.474 -0.072 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.881 -0.536 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.352 -1.997 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.700 -2.268 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.597 -2.152 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.350 -0.759 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.324 0.071 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.099 0.215 7.618 1.00 0.00 H new ATOM 299 N GLN A 21 -1.292 -1.028 9.874 1.00 0.00 N ATOM 300 CA GLN A 21 -0.431 -2.124 9.463 1.00 0.00 C ATOM 301 C GLN A 21 -0.808 -3.405 10.212 1.00 0.00 C ATOM 302 O GLN A 21 -1.431 -3.348 11.271 1.00 0.00 O ATOM 303 CB GLN A 21 1.042 -1.776 9.682 1.00 0.00 C ATOM 304 CG GLN A 21 1.439 -1.966 11.147 1.00 0.00 C ATOM 305 CD GLN A 21 2.064 -0.690 11.716 1.00 0.00 C ATOM 306 OE1 GLN A 21 1.386 0.199 12.206 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.390 -0.649 11.623 1.00 0.00 N ATOM 0 H GLN A 21 -1.662 -1.108 10.821 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.576 -2.293 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.666 -2.406 9.048 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.224 -0.744 9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.561 -2.238 11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.147 -2.791 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.896 -1.428 11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.901 0.161 11.973 1.00 0.00 H new ATOM 316 N GLY A 22 -0.415 -4.529 9.631 1.00 0.00 N ATOM 317 CA GLY A 22 -0.704 -5.821 10.229 1.00 0.00 C ATOM 318 C GLY A 22 -0.242 -6.962 9.321 1.00 0.00 C ATOM 319 O GLY A 22 0.952 -7.112 9.065 1.00 0.00 O ATOM 0 H GLY A 22 0.101 -4.572 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.207 -5.897 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.775 -5.909 10.413 1.00 0.00 H new ATOM 323 N CYS A 23 -1.211 -7.737 8.858 1.00 0.00 N ATOM 324 CA CYS A 23 -0.919 -8.860 7.983 1.00 0.00 C ATOM 325 C CYS A 23 -2.098 -9.044 7.027 1.00 0.00 C ATOM 326 O CYS A 23 -3.255 -8.984 7.443 1.00 0.00 O ATOM 327 CB CYS A 23 -0.624 -10.134 8.778 1.00 0.00 C ATOM 328 SG CYS A 23 -1.754 -10.253 10.212 1.00 0.00 S ATOM 0 H CYS A 23 -2.200 -7.610 9.072 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.017 -8.651 7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.743 -11.008 8.137 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.411 -10.128 9.120 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.496 -11.339 10.878 1.00 0.00 H new ATOM 334 N LEU A 24 -1.766 -9.264 5.763 1.00 0.00 N ATOM 335 CA LEU A 24 -2.784 -9.457 4.744 1.00 0.00 C ATOM 336 C LEU A 24 -2.377 -10.621 3.838 1.00 0.00 C ATOM 337 O LEU A 24 -1.213 -11.017 3.815 1.00 0.00 O ATOM 338 CB LEU A 24 -3.041 -8.151 3.990 1.00 0.00 C ATOM 339 CG LEU A 24 -3.876 -7.103 4.729 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.235 -5.937 3.805 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.117 -7.737 5.360 1.00 0.00 C ATOM 0 H LEU A 24 -0.806 -9.313 5.421 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.736 -9.726 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.079 -7.706 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.541 -8.389 3.051 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.273 -6.696 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.828 -5.206 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.322 -5.465 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.811 -6.308 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.693 -6.971 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.732 -8.187 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.812 -8.505 6.071 1.00 0.00 H new ATOM 353 N LEU A 25 -3.360 -11.135 3.113 1.00 0.00 N ATOM 354 CA LEU A 25 -3.119 -12.245 2.207 1.00 0.00 C ATOM 355 C LEU A 25 -3.092 -11.727 0.768 1.00 0.00 C ATOM 356 O LEU A 25 -4.140 -11.513 0.161 1.00 0.00 O ATOM 357 CB LEU A 25 -4.143 -13.358 2.441 1.00 0.00 C ATOM 358 CG LEU A 25 -4.366 -13.769 3.897 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.087 -14.345 4.507 1.00 0.00 C ATOM 360 CD2 LEU A 25 -4.917 -12.601 4.718 1.00 0.00 C ATOM 0 H LEU A 25 -4.324 -10.803 3.135 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.145 -12.692 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.098 -13.039 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.828 -14.238 1.880 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.116 -14.560 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.274 -14.629 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.777 -15.223 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.298 -13.594 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.067 -12.920 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.209 -11.773 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.869 -12.277 4.297 1.00 0.00 H new ATOM 372 N LYS A 26 -1.881 -11.540 0.263 1.00 0.00 N ATOM 373 CA LYS A 26 -1.704 -11.051 -1.094 1.00 0.00 C ATOM 374 C LYS A 26 -1.744 -12.231 -2.066 1.00 0.00 C ATOM 375 O LYS A 26 -1.026 -13.214 -1.885 1.00 0.00 O ATOM 376 CB LYS A 26 -0.429 -10.211 -1.198 1.00 0.00 C ATOM 377 CG LYS A 26 -0.360 -9.484 -2.542 1.00 0.00 C ATOM 378 CD LYS A 26 1.071 -9.037 -2.851 1.00 0.00 C ATOM 379 CE LYS A 26 1.531 -9.571 -4.208 1.00 0.00 C ATOM 380 NZ LYS A 26 1.703 -11.040 -4.156 1.00 0.00 N ATOM 0 H LYS A 26 -1.013 -11.718 0.769 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.521 -10.384 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.400 -9.485 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.444 -10.853 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.718 -10.142 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.020 -8.617 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.124 -7.948 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.743 -9.392 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.800 -9.311 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.472 -9.099 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.523 -11.314 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.858 -11.337 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.849 -11.503 -4.527 1.00 0.00 H new ATOM 394 N GLN A 27 -2.590 -12.096 -3.077 1.00 0.00 N ATOM 395 CA GLN A 27 -2.733 -13.139 -4.078 1.00 0.00 C ATOM 396 C GLN A 27 -1.763 -12.899 -5.237 1.00 0.00 C ATOM 397 O GLN A 27 -0.980 -11.951 -5.209 1.00 0.00 O ATOM 398 CB GLN A 27 -4.176 -13.224 -4.579 1.00 0.00 C ATOM 399 CG GLN A 27 -4.876 -14.466 -4.025 1.00 0.00 C ATOM 400 CD GLN A 27 -4.704 -15.659 -4.968 1.00 0.00 C ATOM 401 OE1 GLN A 27 -3.876 -15.660 -5.864 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.529 -16.671 -4.716 1.00 0.00 N ATOM 0 H GLN A 27 -3.183 -11.280 -3.224 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.487 -14.095 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.722 -12.330 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.185 -13.252 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.468 -14.711 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.937 -14.258 -3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.199 -16.604 -3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.492 -17.514 -5.289 1.00 0.00 H new ATOM 543 N LYS A 35 -0.956 -16.500 0.744 1.00 0.00 N ATOM 544 CA LYS A 35 0.277 -16.391 1.506 1.00 0.00 C ATOM 545 C LYS A 35 0.212 -15.149 2.397 1.00 0.00 C ATOM 546 O LYS A 35 0.121 -14.028 1.899 1.00 0.00 O ATOM 547 CB LYS A 35 1.488 -16.415 0.571 1.00 0.00 C ATOM 548 CG LYS A 35 1.807 -17.843 0.124 1.00 0.00 C ATOM 549 CD LYS A 35 2.963 -18.428 0.939 1.00 0.00 C ATOM 550 CE LYS A 35 3.531 -19.679 0.266 1.00 0.00 C ATOM 551 NZ LYS A 35 3.965 -20.662 1.283 1.00 0.00 N ATOM 0 HA LYS A 35 0.395 -17.251 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.291 -15.792 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.353 -15.987 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.923 -18.470 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.065 -17.847 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.749 -17.681 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.616 -18.676 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.776 -20.126 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.374 -19.407 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.348 -21.505 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.700 -20.238 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.152 -20.935 1.871 1.00 0.00 H new ATOM 565 N VAL A 36 0.263 -15.391 3.699 1.00 0.00 N ATOM 566 CA VAL A 36 0.211 -14.305 4.664 1.00 0.00 C ATOM 567 C VAL A 36 1.409 -13.378 4.447 1.00 0.00 C ATOM 568 O VAL A 36 2.492 -13.833 4.081 1.00 0.00 O ATOM 569 CB VAL A 36 0.142 -14.871 6.084 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.400 -13.777 7.122 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.200 -15.560 6.335 1.00 0.00 C ATOM 0 H VAL A 36 0.340 -16.322 4.108 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.691 -13.709 4.521 1.00 0.00 H new ATOM 0 HB VAL A 36 0.927 -15.621 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.345 -14.205 8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.391 -13.351 6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.352 -12.995 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.223 -15.953 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.008 -14.840 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.327 -16.378 5.626 1.00 0.00 H new ATOM 581 N ARG A 37 1.174 -12.096 4.681 1.00 0.00 N ATOM 582 CA ARG A 37 2.220 -11.101 4.516 1.00 0.00 C ATOM 583 C ARG A 37 1.942 -9.886 5.404 1.00 0.00 C ATOM 584 O ARG A 37 0.789 -9.509 5.603 1.00 0.00 O ATOM 585 CB ARG A 37 2.322 -10.646 3.059 1.00 0.00 C ATOM 586 CG ARG A 37 3.579 -11.211 2.395 1.00 0.00 C ATOM 587 CD ARG A 37 3.246 -12.437 1.543 1.00 0.00 C ATOM 588 NE ARG A 37 3.880 -12.316 0.211 1.00 0.00 N ATOM 589 CZ ARG A 37 5.149 -12.658 -0.050 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.927 -13.144 0.926 1.00 0.00 N ATOM 591 NH2 ARG A 37 5.640 -12.513 -1.289 1.00 0.00 N ATOM 0 H ARG A 37 0.274 -11.723 4.984 1.00 0.00 H new ATOM 0 HA ARG A 37 3.164 -11.561 4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.439 -10.972 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.341 -9.557 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.041 -10.445 1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.308 -11.482 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.596 -13.342 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.166 -12.531 1.433 1.00 0.00 H new ATOM 0 HE ARG A 37 3.316 -11.950 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.554 -13.254 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.893 -13.404 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.048 -12.143 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.606 -12.773 -1.488 1.00 0.00 H new ATOM 605 N LYS A 38 3.020 -9.308 5.914 1.00 0.00 N ATOM 606 CA LYS A 38 2.907 -8.144 6.776 1.00 0.00 C ATOM 607 C LYS A 38 2.858 -6.880 5.916 1.00 0.00 C ATOM 608 O LYS A 38 3.887 -6.422 5.419 1.00 0.00 O ATOM 609 CB LYS A 38 4.028 -8.136 7.817 1.00 0.00 C ATOM 610 CG LYS A 38 3.948 -6.891 8.701 1.00 0.00 C ATOM 611 CD LYS A 38 4.157 -7.250 10.174 1.00 0.00 C ATOM 612 CE LYS A 38 4.614 -6.030 10.976 1.00 0.00 C ATOM 613 NZ LYS A 38 5.656 -6.414 11.955 1.00 0.00 N ATOM 0 H LYS A 38 3.975 -9.624 5.747 1.00 0.00 H new ATOM 0 HA LYS A 38 1.977 -8.180 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.960 -9.031 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.995 -8.168 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.703 -6.169 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.977 -6.412 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.228 -7.638 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.900 -8.043 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.004 -5.269 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.763 -5.589 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.955 -5.574 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.272 -7.124 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.474 -6.813 11.452 1.00 0.00 H new ATOM 627 N PHE A 39 1.653 -6.351 5.765 1.00 0.00 N ATOM 628 CA PHE A 39 1.457 -5.149 4.973 1.00 0.00 C ATOM 629 C PHE A 39 1.434 -3.904 5.862 1.00 0.00 C ATOM 630 O PHE A 39 0.569 -3.770 6.727 1.00 0.00 O ATOM 631 CB PHE A 39 0.102 -5.288 4.276 1.00 0.00 C ATOM 632 CG PHE A 39 0.175 -5.956 2.901 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.243 -7.311 2.806 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.171 -5.195 1.774 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.310 -7.931 1.530 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.239 -5.814 0.498 1.00 0.00 C ATOM 637 CZ PHE A 39 0.307 -7.169 0.403 1.00 0.00 C ATOM 0 H PHE A 39 0.802 -6.733 6.178 1.00 0.00 H new ATOM 0 HA PHE A 39 2.273 -5.038 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.566 -5.866 4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.341 -4.298 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.246 -7.916 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.116 -4.119 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.363 -9.007 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.237 -5.209 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.359 -7.640 -0.567 1.00 0.00 H new ATOM 647 N ILE A 40 2.394 -3.024 5.618 1.00 0.00 N ATOM 648 CA ILE A 40 2.495 -1.794 6.386 1.00 0.00 C ATOM 649 C ILE A 40 2.150 -0.606 5.486 1.00 0.00 C ATOM 650 O ILE A 40 2.710 -0.462 4.400 1.00 0.00 O ATOM 651 CB ILE A 40 3.870 -1.687 7.047 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.109 -2.852 8.009 1.00 0.00 C ATOM 653 CG2 ILE A 40 4.044 -0.331 7.734 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.600 -3.177 8.117 1.00 0.00 C ATOM 0 H ILE A 40 3.109 -3.138 4.899 1.00 0.00 H new ATOM 0 HA ILE A 40 1.774 -1.794 7.203 1.00 0.00 H new ATOM 0 HB ILE A 40 4.629 -1.753 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.716 -2.601 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.566 -3.731 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.030 -0.281 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.948 0.466 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.278 -0.210 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.742 -4.009 8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.985 -3.451 7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.137 -2.303 8.486 1.00 0.00 H new ATOM 666 N LEU A 41 1.230 0.215 5.970 1.00 0.00 N ATOM 667 CA LEU A 41 0.804 1.386 5.222 1.00 0.00 C ATOM 668 C LEU A 41 1.349 2.644 5.900 1.00 0.00 C ATOM 669 O LEU A 41 1.315 2.759 7.125 1.00 0.00 O ATOM 670 CB LEU A 41 -0.717 1.389 5.052 1.00 0.00 C ATOM 671 CG LEU A 41 -1.316 2.637 4.400 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.108 2.616 2.884 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.791 2.796 4.774 1.00 0.00 C ATOM 0 H LEU A 41 0.768 0.093 6.871 1.00 0.00 H new ATOM 0 HA LEU A 41 1.214 1.364 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.998 0.521 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.173 1.262 6.034 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.790 3.511 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.543 3.514 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.041 2.584 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.592 1.735 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.193 3.690 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.348 1.923 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.884 2.888 5.856 1.00 0.00 H new ATOM 685 N ARG A 42 1.840 3.557 5.075 1.00 0.00 N ATOM 686 CA ARG A 42 2.392 4.803 5.580 1.00 0.00 C ATOM 687 C ARG A 42 2.045 5.957 4.637 1.00 0.00 C ATOM 688 O ARG A 42 2.251 5.860 3.428 1.00 0.00 O ATOM 689 CB ARG A 42 3.912 4.713 5.727 1.00 0.00 C ATOM 690 CG ARG A 42 4.548 4.102 4.476 1.00 0.00 C ATOM 691 CD ARG A 42 5.232 2.773 4.802 1.00 0.00 C ATOM 692 NE ARG A 42 6.313 2.989 5.790 1.00 0.00 N ATOM 693 CZ ARG A 42 7.254 2.082 6.085 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.253 0.892 5.469 1.00 0.00 N ATOM 695 NH2 ARG A 42 8.196 2.365 6.995 1.00 0.00 N ATOM 0 H ARG A 42 1.867 3.459 4.060 1.00 0.00 H new ATOM 0 HA ARG A 42 1.954 4.986 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.324 5.707 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.162 4.108 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.784 3.945 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.276 4.797 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.502 2.066 5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.642 2.333 3.893 1.00 0.00 H new ATOM 0 HE ARG A 42 6.343 3.885 6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.536 0.677 4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.969 0.201 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.197 3.271 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.912 1.674 7.219 1.00 0.00 H new ATOM 709 N GLU A 43 1.525 7.024 5.226 1.00 0.00 N ATOM 710 CA GLU A 43 1.148 8.196 4.454 1.00 0.00 C ATOM 711 C GLU A 43 2.227 9.275 4.564 1.00 0.00 C ATOM 712 O GLU A 43 2.804 9.474 5.633 1.00 0.00 O ATOM 713 CB GLU A 43 -0.213 8.734 4.902 1.00 0.00 C ATOM 714 CG GLU A 43 -0.197 9.092 6.389 1.00 0.00 C ATOM 715 CD GLU A 43 -1.058 10.327 6.665 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.251 11.109 5.708 1.00 0.00 O ATOM 717 OE2 GLU A 43 -1.503 10.461 7.825 1.00 0.00 O ATOM 0 H GLU A 43 1.356 7.101 6.229 1.00 0.00 H new ATOM 0 HA GLU A 43 1.060 7.904 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.471 9.615 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.984 7.987 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.566 8.249 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.827 9.279 6.711 1.00 0.00 H new ATOM 724 N ASP A 44 2.469 9.942 3.446 1.00 0.00 N ATOM 725 CA ASP A 44 3.469 10.996 3.404 1.00 0.00 C ATOM 726 C ASP A 44 4.826 10.421 3.814 1.00 0.00 C ATOM 727 O ASP A 44 5.280 10.634 4.937 1.00 0.00 O ATOM 728 CB ASP A 44 3.120 12.125 4.375 1.00 0.00 C ATOM 729 CG ASP A 44 1.688 12.653 4.267 1.00 0.00 C ATOM 730 OD1 ASP A 44 0.807 12.038 4.904 1.00 0.00 O ATOM 731 OD2 ASP A 44 1.508 13.660 3.548 1.00 0.00 O ATOM 0 H ASP A 44 1.990 9.773 2.561 1.00 0.00 H new ATOM 0 HA ASP A 44 3.501 11.391 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.285 11.772 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.810 12.953 4.209 1.00 0.00 H new ATOM 736 N PRO A 45 5.451 9.684 2.857 1.00 0.00 N ATOM 737 CA PRO A 45 4.844 9.481 1.553 1.00 0.00 C ATOM 738 C PRO A 45 3.699 8.468 1.633 1.00 0.00 C ATOM 739 O PRO A 45 3.517 7.813 2.658 1.00 0.00 O ATOM 740 CB PRO A 45 5.981 9.022 0.656 1.00 0.00 C ATOM 741 CG PRO A 45 7.080 8.539 1.590 1.00 0.00 C ATOM 742 CD PRO A 45 6.749 9.028 2.990 1.00 0.00 C ATOM 0 HA PRO A 45 4.384 10.387 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.655 8.223 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.335 9.838 0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.146 7.451 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.049 8.923 1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.704 8.200 3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.507 9.720 3.357 1.00 0.00 H new ATOM 750 N ALA A 46 2.958 8.373 0.539 1.00 0.00 N ATOM 751 CA ALA A 46 1.837 7.451 0.473 1.00 0.00 C ATOM 752 C ALA A 46 2.271 6.178 -0.256 1.00 0.00 C ATOM 753 O ALA A 46 2.256 6.126 -1.485 1.00 0.00 O ATOM 754 CB ALA A 46 0.651 8.138 -0.209 1.00 0.00 C ATOM 0 H ALA A 46 3.112 8.919 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 46 1.517 7.164 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.190 7.447 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.363 9.020 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.935 8.437 -1.218 1.00 0.00 H new ATOM 760 N TYR A 47 2.648 5.182 0.533 1.00 0.00 N ATOM 761 CA TYR A 47 3.086 3.913 -0.022 1.00 0.00 C ATOM 762 C TYR A 47 2.649 2.746 0.866 1.00 0.00 C ATOM 763 O TYR A 47 2.290 2.945 2.026 1.00 0.00 O ATOM 764 CB TYR A 47 4.614 3.970 -0.053 1.00 0.00 C ATOM 765 CG TYR A 47 5.190 4.513 -1.362 1.00 0.00 C ATOM 766 CD1 TYR A 47 4.936 3.860 -2.551 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.965 5.655 -1.354 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.478 4.371 -3.784 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.507 6.166 -2.587 1.00 0.00 C ATOM 770 CZ TYR A 47 6.237 5.499 -3.740 1.00 0.00 C ATOM 771 OH TYR A 47 6.749 5.981 -4.904 1.00 0.00 O ATOM 0 H TYR A 47 2.659 5.229 1.552 1.00 0.00 H new ATOM 0 HA TYR A 47 2.654 3.758 -1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.961 4.594 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.008 2.968 0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.331 2.966 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.165 6.165 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.286 3.870 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.114 7.059 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 47 6.042 6.017 -5.582 1.00 0.00 H new ATOM 781 N LEU A 48 2.693 1.555 0.288 1.00 0.00 N ATOM 782 CA LEU A 48 2.307 0.356 1.013 1.00 0.00 C ATOM 783 C LEU A 48 3.405 -0.699 0.868 1.00 0.00 C ATOM 784 O LEU A 48 3.620 -1.230 -0.221 1.00 0.00 O ATOM 785 CB LEU A 48 0.928 -0.124 0.557 1.00 0.00 C ATOM 786 CG LEU A 48 0.495 -1.501 1.065 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.090 -2.616 0.202 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.844 -1.674 2.545 1.00 0.00 C ATOM 0 H LEU A 48 2.990 1.394 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 48 2.209 0.569 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.187 0.609 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.913 -0.139 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.589 -1.571 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.767 -3.584 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.750 -2.501 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.178 -2.559 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.526 -2.661 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.921 -1.575 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.334 -0.909 3.131 1.00 0.00 H new ATOM 800 N HIS A 49 4.070 -0.972 1.981 1.00 0.00 N ATOM 801 CA HIS A 49 5.141 -1.954 1.991 1.00 0.00 C ATOM 802 C HIS A 49 4.633 -3.260 2.606 1.00 0.00 C ATOM 803 O HIS A 49 3.898 -3.241 3.592 1.00 0.00 O ATOM 804 CB HIS A 49 6.377 -1.403 2.705 1.00 0.00 C ATOM 805 CG HIS A 49 7.117 -0.344 1.924 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.660 0.957 1.807 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.285 -0.407 1.222 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.522 1.638 1.066 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.528 0.791 0.704 1.00 0.00 N ATOM 0 H HIS A 49 3.888 -0.530 2.882 1.00 0.00 H new ATOM 0 HA HIS A 49 5.451 -2.171 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.073 -0.986 3.665 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.059 -2.227 2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.906 -1.283 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.442 2.681 0.796 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.334 1.037 0.130 1.00 0.00 H new ATOM 817 N TYR A 50 5.045 -4.362 1.998 1.00 0.00 N ATOM 818 CA TYR A 50 4.642 -5.675 2.473 1.00 0.00 C ATOM 819 C TYR A 50 5.858 -6.575 2.697 1.00 0.00 C ATOM 820 O TYR A 50 6.616 -6.843 1.766 1.00 0.00 O ATOM 821 CB TYR A 50 3.774 -6.276 1.366 1.00 0.00 C ATOM 822 CG TYR A 50 4.437 -6.274 -0.014 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.453 -5.120 -0.770 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.018 -7.427 -0.501 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.076 -5.118 -2.068 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.642 -7.425 -1.799 1.00 0.00 C ATOM 827 CZ TYR A 50 5.640 -6.271 -2.519 1.00 0.00 C ATOM 828 OH TYR A 50 6.229 -6.270 -3.745 1.00 0.00 O ATOM 0 H TYR A 50 5.654 -4.373 1.180 1.00 0.00 H new ATOM 0 HA TYR A 50 4.112 -5.593 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.519 -7.301 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.838 -5.720 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.998 -4.218 -0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.005 -8.330 0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.095 -4.222 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.101 -8.320 -2.192 1.00 0.00 H new ATOM 0 HH TYR A 50 6.590 -7.161 -3.935 1.00 0.00 H new ATOM 838 N TYR A 51 6.007 -7.016 3.937 1.00 0.00 N ATOM 839 CA TYR A 51 7.119 -7.881 4.296 1.00 0.00 C ATOM 840 C TYR A 51 6.642 -9.314 4.542 1.00 0.00 C ATOM 841 O TYR A 51 5.444 -9.588 4.505 1.00 0.00 O ATOM 842 CB TYR A 51 7.691 -7.315 5.597 1.00 0.00 C ATOM 843 CG TYR A 51 7.986 -5.815 5.547 1.00 0.00 C ATOM 844 CD1 TYR A 51 6.951 -4.905 5.627 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.286 -5.371 5.422 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.228 -3.493 5.580 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.564 -3.959 5.375 1.00 0.00 C ATOM 848 CZ TYR A 51 8.521 -3.089 5.456 1.00 0.00 C ATOM 849 OH TYR A 51 8.783 -1.756 5.412 1.00 0.00 O ATOM 0 H TYR A 51 5.376 -6.791 4.706 1.00 0.00 H new ATOM 0 HA TYR A 51 7.856 -7.911 3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.987 -7.510 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.611 -7.848 5.840 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.933 -5.252 5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.096 -6.083 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.427 -2.771 5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.577 -3.599 5.278 1.00 0.00 H new ATOM 0 HH TYR A 51 9.749 -1.615 5.323 1.00 0.00 H new ATOM 859 N ASP A 52 7.605 -10.190 4.788 1.00 0.00 N ATOM 860 CA ASP A 52 7.299 -11.587 5.040 1.00 0.00 C ATOM 861 C ASP A 52 7.117 -11.802 6.544 1.00 0.00 C ATOM 862 O ASP A 52 7.787 -11.160 7.352 1.00 0.00 O ATOM 863 CB ASP A 52 8.437 -12.495 4.568 1.00 0.00 C ATOM 864 CG ASP A 52 8.329 -13.954 5.016 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.696 -14.218 6.182 1.00 0.00 O ATOM 866 OD2 ASP A 52 7.882 -14.772 4.184 1.00 0.00 O ATOM 0 H ASP A 52 8.598 -9.959 4.818 1.00 0.00 H new ATOM 0 HA ASP A 52 6.389 -11.836 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.476 -12.467 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.381 -12.088 4.931 1.00 0.00 H new ATOM 871 N PRO A 53 6.182 -12.729 6.884 1.00 0.00 N ATOM 872 CA PRO A 53 5.903 -13.036 8.276 1.00 0.00 C ATOM 873 C PRO A 53 7.019 -13.888 8.884 1.00 0.00 C ATOM 874 O PRO A 53 7.545 -13.561 9.947 1.00 0.00 O ATOM 875 CB PRO A 53 4.557 -13.742 8.262 1.00 0.00 C ATOM 876 CG PRO A 53 4.352 -14.218 6.833 1.00 0.00 C ATOM 877 CD PRO A 53 5.369 -13.508 5.954 1.00 0.00 C ATOM 0 HA PRO A 53 5.863 -12.145 8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.548 -14.581 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.758 -13.066 8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.480 -15.299 6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.338 -13.997 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.977 -14.221 5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.880 -12.866 5.222 1.00 0.00 H new ATOM 885 N ALA A 54 7.347 -14.964 8.184 1.00 0.00 N ATOM 886 CA ALA A 54 8.391 -15.865 8.642 1.00 0.00 C ATOM 887 C ALA A 54 9.579 -15.046 9.150 1.00 0.00 C ATOM 888 O ALA A 54 10.156 -15.362 10.189 1.00 0.00 O ATOM 889 CB ALA A 54 8.780 -16.814 7.506 1.00 0.00 C ATOM 0 H ALA A 54 6.908 -15.232 7.303 1.00 0.00 H new ATOM 0 HA ALA A 54 8.034 -16.477 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.563 -17.490 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.908 -17.393 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.146 -16.235 6.658 1.00 0.00 H new ATOM 895 N GLY A 55 9.908 -14.009 8.394 1.00 0.00 N ATOM 896 CA GLY A 55 11.017 -13.142 8.754 1.00 0.00 C ATOM 897 C GLY A 55 11.700 -12.578 7.507 1.00 0.00 C ATOM 898 O GLY A 55 11.803 -13.260 6.489 1.00 0.00 O ATOM 0 H GLY A 55 9.426 -13.750 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.656 -12.323 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.741 -13.699 9.349 1.00 0.00 H new ATOM 902 N ALA A 56 12.149 -11.337 7.628 1.00 0.00 N ATOM 903 CA ALA A 56 12.820 -10.673 6.523 1.00 0.00 C ATOM 904 C ALA A 56 13.489 -9.395 7.032 1.00 0.00 C ATOM 905 O ALA A 56 13.248 -8.971 8.161 1.00 0.00 O ATOM 906 CB ALA A 56 11.811 -10.397 5.406 1.00 0.00 C ATOM 0 H ALA A 56 12.061 -10.774 8.474 1.00 0.00 H new ATOM 0 HA ALA A 56 13.600 -11.311 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.313 -9.899 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.385 -11.339 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.015 -9.757 5.785 1.00 0.00 H new ATOM 912 N GLU A 57 14.318 -8.817 6.175 1.00 0.00 N ATOM 913 CA GLU A 57 15.025 -7.597 6.524 1.00 0.00 C ATOM 914 C GLU A 57 14.349 -6.388 5.873 1.00 0.00 C ATOM 915 O GLU A 57 13.889 -5.482 6.567 1.00 0.00 O ATOM 916 CB GLU A 57 16.499 -7.682 6.123 1.00 0.00 C ATOM 917 CG GLU A 57 17.260 -6.430 6.561 1.00 0.00 C ATOM 918 CD GLU A 57 18.089 -6.703 7.817 1.00 0.00 C ATOM 919 OE1 GLU A 57 17.480 -6.712 8.908 1.00 0.00 O ATOM 920 OE2 GLU A 57 19.314 -6.897 7.658 1.00 0.00 O ATOM 0 H GLU A 57 14.516 -9.171 5.239 1.00 0.00 H new ATOM 0 HA GLU A 57 14.984 -7.474 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.952 -8.564 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.579 -7.801 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.914 -6.097 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.555 -5.621 6.755 1.00 0.00 H new ATOM 927 N ASP A 58 14.311 -6.413 4.549 1.00 0.00 N ATOM 928 CA ASP A 58 13.699 -5.330 3.798 1.00 0.00 C ATOM 929 C ASP A 58 12.334 -5.784 3.278 1.00 0.00 C ATOM 930 O ASP A 58 12.023 -6.974 3.294 1.00 0.00 O ATOM 931 CB ASP A 58 14.558 -4.942 2.593 1.00 0.00 C ATOM 932 CG ASP A 58 15.228 -3.570 2.692 1.00 0.00 C ATOM 933 OD1 ASP A 58 15.370 -3.089 3.837 1.00 0.00 O ATOM 934 OD2 ASP A 58 15.583 -3.033 1.621 1.00 0.00 O ATOM 0 H ASP A 58 14.694 -7.166 3.977 1.00 0.00 H new ATOM 0 HA ASP A 58 13.601 -4.472 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.331 -5.698 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.934 -4.961 1.700 1.00 0.00 H new ATOM 939 N PRO A 59 11.533 -4.786 2.816 1.00 0.00 N ATOM 940 CA PRO A 59 10.208 -5.071 2.292 1.00 0.00 C ATOM 941 C PRO A 59 10.292 -5.695 0.898 1.00 0.00 C ATOM 942 O PRO A 59 11.036 -5.216 0.043 1.00 0.00 O ATOM 943 CB PRO A 59 9.486 -3.734 2.302 1.00 0.00 C ATOM 944 CG PRO A 59 10.572 -2.674 2.390 1.00 0.00 C ATOM 945 CD PRO A 59 11.867 -3.365 2.781 1.00 0.00 C ATOM 0 HA PRO A 59 9.668 -5.805 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.888 -3.606 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.804 -3.665 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.685 -2.163 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.306 -1.916 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.658 -3.162 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.224 -3.018 3.751 1.00 0.00 H new ATOM 953 N LEU A 60 9.520 -6.755 0.711 1.00 0.00 N ATOM 954 CA LEU A 60 9.497 -7.449 -0.565 1.00 0.00 C ATOM 955 C LEU A 60 9.408 -6.424 -1.697 1.00 0.00 C ATOM 956 O LEU A 60 9.901 -6.665 -2.798 1.00 0.00 O ATOM 957 CB LEU A 60 8.377 -8.491 -0.589 1.00 0.00 C ATOM 958 CG LEU A 60 8.514 -9.646 0.405 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.161 -9.998 1.027 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.176 -10.859 -0.251 1.00 0.00 C ATOM 0 H LEU A 60 8.905 -7.150 1.422 1.00 0.00 H new ATOM 0 HA LEU A 60 10.422 -8.007 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.431 -7.984 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.317 -8.908 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 60 9.167 -9.323 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.287 -10.822 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.766 -9.129 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.465 -10.294 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.261 -11.665 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.570 -11.193 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.169 -10.584 -0.606 1.00 0.00 H new ATOM 972 N GLY A 61 8.775 -5.302 -1.388 1.00 0.00 N ATOM 973 CA GLY A 61 8.615 -4.239 -2.366 1.00 0.00 C ATOM 974 C GLY A 61 7.718 -3.125 -1.823 1.00 0.00 C ATOM 975 O GLY A 61 7.582 -2.968 -0.610 1.00 0.00 O ATOM 0 H GLY A 61 8.367 -5.106 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.591 -3.830 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.184 -4.644 -3.282 1.00 0.00 H new ATOM 979 N ALA A 62 7.128 -2.381 -2.746 1.00 0.00 N ATOM 980 CA ALA A 62 6.247 -1.287 -2.376 1.00 0.00 C ATOM 981 C ALA A 62 5.161 -1.128 -3.442 1.00 0.00 C ATOM 982 O ALA A 62 5.328 -1.576 -4.575 1.00 0.00 O ATOM 983 CB ALA A 62 7.070 -0.011 -2.187 1.00 0.00 C ATOM 0 H ALA A 62 7.243 -2.514 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 62 5.750 -1.498 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.409 0.810 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.807 -0.167 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.581 0.234 -3.118 1.00 0.00 H new ATOM 989 N ILE A 63 4.073 -0.487 -3.042 1.00 0.00 N ATOM 990 CA ILE A 63 2.960 -0.264 -3.949 1.00 0.00 C ATOM 991 C ILE A 63 2.660 1.235 -4.021 1.00 0.00 C ATOM 992 O ILE A 63 2.398 1.869 -3.000 1.00 0.00 O ATOM 993 CB ILE A 63 1.755 -1.113 -3.539 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.156 -2.577 -3.349 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.608 -0.958 -4.540 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.034 -3.370 -2.674 1.00 0.00 C ATOM 0 H ILE A 63 3.938 -0.115 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 63 3.220 -0.587 -4.957 1.00 0.00 H new ATOM 0 HB ILE A 63 1.393 -0.750 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.390 -3.022 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.061 -2.634 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.236 -1.572 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.301 0.087 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.941 -1.278 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.345 -4.407 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.819 -2.937 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.138 -3.331 -3.293 1.00 0.00 H new ATOM 1008 N HIS A 64 2.707 1.758 -5.237 1.00 0.00 N ATOM 1009 CA HIS A 64 2.444 3.170 -5.456 1.00 0.00 C ATOM 1010 C HIS A 64 1.003 3.491 -5.054 1.00 0.00 C ATOM 1011 O HIS A 64 0.062 2.887 -5.567 1.00 0.00 O ATOM 1012 CB HIS A 64 2.758 3.564 -6.900 1.00 0.00 C ATOM 1013 CG HIS A 64 3.074 5.029 -7.082 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.028 5.814 -6.504 1.00 0.00 N flip ATOM 1015 CD2 HIS A 64 2.364 5.848 -7.944 1.00 0.00 C flip ATOM 1016 CE1 HIS A 64 3.909 7.044 -6.988 1.00 0.00 C flip ATOM 1017 NE2 HIS A 64 2.878 7.067 -7.880 1.00 0.00 N flip ATOM 0 H HIS A 64 2.923 1.229 -6.082 1.00 0.00 H new ATOM 0 HA HIS A 64 3.103 3.768 -4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.605 2.974 -7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.907 3.306 -7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.533 5.544 -8.563 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.527 7.888 -6.719 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.559 7.880 -8.406 1.00 0.00 H new ATOM 1025 N LEU A 65 0.875 4.442 -4.140 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.435 4.851 -3.664 1.00 0.00 C ATOM 1027 C LEU A 65 -0.744 6.258 -4.180 1.00 0.00 C ATOM 1028 O LEU A 65 -1.891 6.701 -4.136 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.516 4.723 -2.141 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.214 3.337 -1.568 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.268 3.352 -0.039 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.147 2.281 -2.165 1.00 0.00 C ATOM 0 H LEU A 65 1.657 4.941 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.207 4.190 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.179 5.437 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.517 5.015 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 65 0.803 3.065 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.050 2.355 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.470 4.057 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.263 3.655 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.911 1.305 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.181 2.537 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.015 2.248 -3.246 1.00 0.00 H new ATOM 1044 N ARG A 66 0.299 6.921 -4.657 1.00 0.00 N ATOM 1045 CA ARG A 66 0.153 8.269 -5.180 1.00 0.00 C ATOM 1046 C ARG A 66 -1.171 8.404 -5.935 1.00 0.00 C ATOM 1047 O ARG A 66 -2.065 9.131 -5.503 1.00 0.00 O ATOM 1048 CB ARG A 66 1.307 8.622 -6.121 1.00 0.00 C ATOM 1049 CG ARG A 66 1.639 10.114 -6.044 1.00 0.00 C ATOM 1050 CD ARG A 66 2.265 10.604 -7.352 1.00 0.00 C ATOM 1051 NE ARG A 66 2.598 12.042 -7.246 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.232 12.738 -8.199 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.607 12.133 -9.334 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.493 14.040 -8.016 1.00 0.00 N ATOM 0 H ARG A 66 1.249 6.550 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 66 0.165 8.957 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.188 8.036 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.041 8.357 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.732 10.682 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.326 10.295 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.165 10.029 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.573 10.442 -8.179 1.00 0.00 H new ATOM 0 HE ARG A 66 2.328 12.534 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.410 11.142 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.090 12.663 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.209 14.500 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.976 14.570 -8.741 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.255 7.693 -7.050 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.455 7.725 -7.869 1.00 0.00 C ATOM 1070 C GLY A 67 -3.077 6.332 -7.985 1.00 0.00 C ATOM 1071 O GLY A 67 -3.387 5.877 -9.085 1.00 0.00 O ATOM 0 H GLY A 67 -0.512 7.091 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.178 8.415 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.212 8.102 -8.862 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.241 5.694 -6.836 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.820 4.362 -6.795 1.00 0.00 C ATOM 1077 C CYS A 68 -5.335 4.502 -6.637 1.00 0.00 C ATOM 1078 O CYS A 68 -5.834 5.584 -6.330 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.206 3.513 -5.680 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.747 4.138 -4.047 1.00 0.00 S ATOM 0 H CYS A 68 -2.983 6.075 -5.926 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.599 3.838 -7.725 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.506 2.472 -5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.118 3.541 -5.747 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.064 5.201 -3.741 1.00 0.00 H new ATOM 1086 N VAL A 69 -6.026 3.392 -6.854 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.474 3.377 -6.741 1.00 0.00 C ATOM 1088 C VAL A 69 -7.890 2.314 -5.723 1.00 0.00 C ATOM 1089 O VAL A 69 -7.183 1.327 -5.527 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.105 3.166 -8.118 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.625 3.328 -8.056 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.495 4.114 -9.152 1.00 0.00 C ATOM 0 H VAL A 69 -5.609 2.496 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.839 4.337 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.890 2.145 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.048 3.173 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.041 2.595 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.870 4.332 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.961 3.943 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.665 5.146 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.423 3.930 -9.227 1.00 0.00 H new ATOM 1102 N VAL A 70 -9.036 2.551 -5.102 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.555 1.626 -4.109 1.00 0.00 C ATOM 1104 C VAL A 70 -10.915 1.098 -4.571 1.00 0.00 C ATOM 1105 O VAL A 70 -11.738 1.856 -5.083 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.612 2.306 -2.739 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.481 1.506 -1.766 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.206 2.516 -2.173 1.00 0.00 C ATOM 0 H VAL A 70 -9.620 3.371 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.892 0.768 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.071 3.286 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.505 2.011 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.494 1.430 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.064 0.507 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.274 3.001 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.710 1.552 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.631 3.145 -2.852 1.00 0.00 H new ATOM 1118 N THR A 71 -11.109 -0.197 -4.375 1.00 0.00 N ATOM 1119 CA THR A 71 -12.355 -0.835 -4.765 1.00 0.00 C ATOM 1120 C THR A 71 -12.561 -2.130 -3.977 1.00 0.00 C ATOM 1121 O THR A 71 -11.603 -2.712 -3.470 1.00 0.00 O ATOM 1122 CB THR A 71 -12.324 -1.044 -6.280 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.520 -0.422 -6.741 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.495 -2.514 -6.672 1.00 0.00 C ATOM 0 H THR A 71 -10.424 -0.823 -3.951 1.00 0.00 H new ATOM 0 HA THR A 71 -13.213 -0.207 -4.526 1.00 0.00 H new ATOM 0 HB THR A 71 -11.382 -0.669 -6.679 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.579 -0.509 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.466 -2.607 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.689 -3.103 -6.235 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.453 -2.880 -6.302 1.00 0.00 H new ATOM 1132 N SER A 72 -13.817 -2.545 -3.899 1.00 0.00 N ATOM 1133 CA SER A 72 -14.161 -3.760 -3.181 1.00 0.00 C ATOM 1134 C SER A 72 -14.445 -4.891 -4.172 1.00 0.00 C ATOM 1135 O SER A 72 -14.966 -4.650 -5.260 1.00 0.00 O ATOM 1136 CB SER A 72 -15.368 -3.538 -2.269 1.00 0.00 C ATOM 1137 OG SER A 72 -15.790 -2.177 -2.262 1.00 0.00 O ATOM 0 H SER A 72 -14.609 -2.061 -4.322 1.00 0.00 H new ATOM 0 HA SER A 72 -13.313 -4.039 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.192 -4.171 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.116 -3.845 -1.254 1.00 0.00 H new ATOM 0 HG SER A 72 -16.564 -2.078 -1.669 1.00 0.00 H new ATOM 1143 N VAL A 73 -14.091 -6.099 -3.761 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.301 -7.267 -4.599 1.00 0.00 C ATOM 1145 C VAL A 73 -15.756 -7.724 -4.473 1.00 0.00 C ATOM 1146 O VAL A 73 -16.631 -6.932 -4.125 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.297 -8.362 -4.233 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.864 -7.829 -4.281 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.614 -8.960 -2.861 1.00 0.00 C ATOM 0 H VAL A 73 -13.660 -6.295 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.126 -7.022 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.384 -9.158 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.170 -8.627 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.642 -7.473 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.758 -7.007 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.886 -9.736 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.569 -8.177 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.614 -9.394 -2.875 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.620 -15.224 2.154 1.00 0.00 N ATOM 1319 CA GLU A 85 -12.988 -14.222 3.139 1.00 0.00 C ATOM 1320 C GLU A 85 -13.222 -12.871 2.459 1.00 0.00 C ATOM 1321 O GLU A 85 -13.316 -12.796 1.235 1.00 0.00 O ATOM 1322 CB GLU A 85 -11.924 -14.109 4.231 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.416 -14.725 5.543 1.00 0.00 C ATOM 1324 CD GLU A 85 -12.452 -13.679 6.660 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.362 -13.383 7.195 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -13.569 -13.200 6.953 1.00 0.00 O ATOM 0 HA GLU A 85 -13.918 -14.533 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.012 -14.612 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.671 -13.061 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.412 -15.145 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.761 -15.547 5.831 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.307 -11.837 3.283 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.527 -10.493 2.777 1.00 0.00 C ATOM 1335 C ASN A 86 -12.226 -9.960 2.173 1.00 0.00 C ATOM 1336 O ASN A 86 -11.266 -9.696 2.895 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.951 -9.544 3.900 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.028 -10.182 4.780 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -16.210 -10.148 4.482 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.554 -10.764 5.878 1.00 0.00 N ATOM 0 H ASN A 86 -13.227 -11.903 4.298 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.317 -10.540 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.085 -9.286 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.329 -8.615 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.193 -11.218 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.552 -10.756 6.067 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.237 -9.818 0.856 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.069 -9.322 0.148 1.00 0.00 C ATOM 1349 C LEU A 87 -11.426 -8.013 -0.560 1.00 0.00 C ATOM 1350 O LEU A 87 -12.587 -7.606 -0.573 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.514 -10.396 -0.789 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.153 -11.782 -0.674 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.053 -12.544 -1.997 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.545 -12.571 0.488 1.00 0.00 C ATOM 0 H LEU A 87 -13.036 -10.038 0.261 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.265 -9.098 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.629 -10.049 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.444 -10.494 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.213 -11.652 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.515 -13.525 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.569 -11.986 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.004 -12.665 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.016 -13.552 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.474 -12.692 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.711 -12.031 1.420 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.406 -7.390 -1.132 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.597 -6.136 -1.840 1.00 0.00 C ATOM 1368 C PHE A 88 -9.471 -5.898 -2.849 1.00 0.00 C ATOM 1369 O PHE A 88 -8.333 -6.304 -2.620 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.570 -5.022 -0.792 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.395 -5.113 0.183 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.195 -4.562 -0.145 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.549 -5.745 1.377 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.104 -4.646 0.759 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.458 -5.829 2.282 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.258 -5.278 1.954 1.00 0.00 C ATOM 0 H PHE A 88 -9.445 -7.731 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.540 -6.158 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.532 -4.059 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.501 -5.047 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.073 -4.060 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.501 -6.183 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.152 -4.208 0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.581 -6.330 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.428 -5.342 2.642 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.829 -5.242 -3.943 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.863 -4.946 -4.987 1.00 0.00 C ATOM 1388 C GLU A 89 -8.380 -3.498 -4.868 1.00 0.00 C ATOM 1389 O GLU A 89 -9.174 -2.595 -4.609 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.453 -5.215 -6.373 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.439 -4.893 -7.472 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.145 -4.551 -8.786 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.525 -3.369 -8.935 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.290 -5.478 -9.611 1.00 0.00 O ATOM 0 H GLU A 89 -10.774 -4.907 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.005 -5.607 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.755 -6.260 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.350 -4.613 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.815 -4.055 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.777 -5.746 -7.622 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.082 -3.324 -5.064 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.484 -2.002 -4.982 1.00 0.00 C ATOM 1403 C ILE A 90 -5.604 -1.768 -6.212 1.00 0.00 C ATOM 1404 O ILE A 90 -4.502 -2.306 -6.303 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.744 -1.830 -3.655 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.712 -1.909 -2.473 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.930 -0.534 -3.644 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.954 -1.945 -1.144 1.00 0.00 C ATOM 0 H ILE A 90 -6.427 -4.076 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.257 -1.233 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.038 -2.654 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.383 -1.050 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.333 -2.800 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.414 -0.437 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.198 -0.557 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.598 0.316 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.666 -2.001 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.302 -2.818 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.353 -1.041 -1.043 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.124 -0.963 -7.128 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.399 -0.651 -8.348 1.00 0.00 C ATOM 1422 C ILE A 91 -4.377 0.451 -8.061 1.00 0.00 C ATOM 1423 O ILE A 91 -4.657 1.380 -7.306 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.373 -0.308 -9.477 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.488 -1.352 -9.574 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.634 -0.133 -10.805 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.861 -0.681 -9.660 1.00 0.00 C ATOM 0 H ILE A 91 -7.038 -0.518 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.841 -1.522 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.845 0.647 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.330 -1.978 -10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.454 -2.008 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.350 0.110 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.907 0.674 -10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.118 -1.059 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.636 -1.445 -9.728 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.026 -0.075 -8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.900 -0.045 -10.544 1.00 0.00 H new ATOM 1439 N THR A 92 -3.214 0.310 -8.680 1.00 0.00 N ATOM 1440 CA THR A 92 -2.149 1.283 -8.501 1.00 0.00 C ATOM 1441 C THR A 92 -1.993 2.140 -9.758 1.00 0.00 C ATOM 1442 O THR A 92 -2.649 1.892 -10.769 1.00 0.00 O ATOM 1443 CB THR A 92 -0.876 0.524 -8.120 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.598 -0.283 -9.262 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.110 -0.488 -6.997 1.00 0.00 C ATOM 0 H THR A 92 -2.986 -0.463 -9.306 1.00 0.00 H new ATOM 0 HA THR A 92 -2.381 1.982 -7.697 1.00 0.00 H new ATOM 0 HB THR A 92 -0.109 1.235 -7.813 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.369 -0.422 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.175 -0.998 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.469 0.031 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.853 -1.219 -7.315 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.120 3.132 -9.655 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.870 4.028 -10.771 1.00 0.00 C ATOM 1455 C ALA A 93 -0.396 3.213 -11.976 1.00 0.00 C ATOM 1456 O ALA A 93 -0.437 3.692 -13.109 1.00 0.00 O ATOM 1457 CB ALA A 93 0.145 5.094 -10.352 1.00 0.00 C ATOM 0 H ALA A 93 -0.577 3.335 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.785 4.545 -11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.333 5.766 -11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.251 5.663 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.077 4.613 -10.057 1.00 0.00 H new ATOM 1463 N ASP A 94 0.044 1.996 -11.692 1.00 0.00 N ATOM 1464 CA ASP A 94 0.525 1.111 -12.739 1.00 0.00 C ATOM 1465 C ASP A 94 -0.621 0.211 -13.206 1.00 0.00 C ATOM 1466 O ASP A 94 -0.446 -0.603 -14.111 1.00 0.00 O ATOM 1467 CB ASP A 94 1.653 0.213 -12.225 1.00 0.00 C ATOM 1468 CG ASP A 94 2.407 -0.561 -13.309 1.00 0.00 C ATOM 1469 OD1 ASP A 94 1.817 -1.533 -13.827 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.557 -0.163 -13.593 1.00 0.00 O ATOM 0 H ASP A 94 0.077 1.602 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 94 0.899 1.727 -13.557 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.366 0.828 -11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.235 -0.500 -11.515 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.768 0.387 -12.567 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.942 -0.399 -12.906 1.00 0.00 C ATOM 1477 C GLU A 95 -2.852 -1.788 -12.270 1.00 0.00 C ATOM 1478 O GLU A 95 -3.725 -2.629 -12.482 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.114 -0.501 -14.422 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.719 0.808 -15.108 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.472 0.985 -16.429 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.596 -0.028 -17.151 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.905 2.129 -16.686 1.00 0.00 O ATOM 0 H GLU A 95 -1.909 1.063 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.821 0.106 -12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.502 -1.317 -14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.151 -0.741 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.934 1.648 -14.448 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.645 0.815 -15.294 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.790 -1.985 -11.502 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.576 -3.257 -10.834 1.00 0.00 C ATOM 1492 C VAL A 96 -2.702 -3.495 -9.827 1.00 0.00 C ATOM 1493 O VAL A 96 -2.983 -2.639 -8.990 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.186 -3.284 -10.194 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.111 -4.657 -9.587 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.891 -2.888 -11.206 1.00 0.00 C ATOM 0 H VAL A 96 -1.069 -1.285 -11.328 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.605 -4.076 -11.553 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.174 -2.551 -9.387 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.105 -4.649 -9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.631 -4.885 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.071 -5.416 -10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.869 -2.915 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.878 -3.586 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.694 -1.880 -11.571 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.317 -4.664 -9.940 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.407 -5.026 -9.050 1.00 0.00 C ATOM 1508 C HIS A 97 -3.886 -5.958 -7.954 1.00 0.00 C ATOM 1509 O HIS A 97 -3.166 -6.914 -8.238 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.574 -5.627 -9.835 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.896 -4.893 -11.115 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.038 -4.128 -11.272 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.214 -4.814 -12.293 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.034 -3.617 -12.495 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.903 -4.044 -13.126 1.00 0.00 N ATOM 0 H HIS A 97 -3.081 -5.372 -10.635 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.796 -4.132 -8.564 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.343 -6.665 -10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.460 -5.635 -9.200 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.273 -5.296 -12.511 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.793 -2.975 -12.917 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.631 -3.810 -14.081 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.270 -5.647 -6.725 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.852 -6.445 -5.585 1.00 0.00 C ATOM 1525 C TYR A 98 -5.058 -6.907 -4.766 1.00 0.00 C ATOM 1526 O TYR A 98 -5.864 -6.089 -4.326 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.985 -5.526 -4.722 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.552 -5.363 -5.231 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.663 -6.414 -5.140 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.148 -4.163 -5.782 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.686 -6.260 -5.619 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.201 -4.010 -6.262 1.00 0.00 C ATOM 1533 CZ TYR A 98 1.052 -5.066 -6.156 1.00 0.00 C ATOM 1534 OH TYR A 98 2.326 -4.920 -6.609 1.00 0.00 O ATOM 0 H TYR A 98 -4.867 -4.853 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.317 -7.335 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.455 -4.544 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.956 -5.920 -3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.979 -7.353 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.843 -3.340 -5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.392 -7.075 -5.553 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.530 -3.078 -6.697 1.00 0.00 H new ATOM 0 HH TYR A 98 2.444 -4.015 -6.967 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.145 -8.217 -4.586 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.240 -8.797 -3.827 1.00 0.00 C ATOM 1546 C PHE A 99 -5.774 -9.230 -2.436 1.00 0.00 C ATOM 1547 O PHE A 99 -5.052 -10.216 -2.298 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.715 -10.030 -4.599 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.748 -9.724 -5.685 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.535 -8.704 -6.559 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -8.880 -10.472 -5.777 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.494 -8.420 -7.567 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -9.839 -10.188 -6.785 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.626 -9.168 -7.659 1.00 0.00 C ATOM 0 H PHE A 99 -4.475 -8.893 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.036 -8.063 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.852 -10.513 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.143 -10.744 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.636 -8.110 -6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.050 -11.282 -5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.324 -7.610 -8.261 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.738 -10.782 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.355 -8.952 -8.426 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.206 -8.471 -1.439 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.842 -8.763 -0.064 1.00 0.00 C ATOM 1566 C LEU A 100 -7.081 -9.241 0.697 1.00 0.00 C ATOM 1567 O LEU A 100 -8.189 -8.773 0.441 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.155 -7.556 0.577 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.060 -6.886 -0.256 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.054 -7.918 -0.769 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.665 -6.060 -1.393 1.00 0.00 C ATOM 0 H LEU A 100 -6.805 -7.654 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.113 -9.572 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.916 -6.810 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.720 -7.872 1.525 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.514 -6.196 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.286 -7.416 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.589 -8.425 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.569 -8.650 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.866 -5.594 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.250 -6.710 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.310 -5.286 -0.977 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.851 -10.167 1.616 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.935 -10.714 2.415 1.00 0.00 C ATOM 1585 C GLN A 101 -7.871 -10.165 3.842 1.00 0.00 C ATOM 1586 O GLN A 101 -6.834 -10.251 4.498 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.900 -12.243 2.413 1.00 0.00 C ATOM 1588 CG GLN A 101 -8.985 -12.817 3.327 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.390 -13.810 4.327 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.001 -13.462 5.430 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.340 -15.062 3.882 1.00 0.00 N ATOM 0 H GLN A 101 -5.930 -10.553 1.825 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.881 -10.405 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.042 -12.612 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.921 -12.588 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.479 -12.007 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.747 -13.313 2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.683 -15.285 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.959 -15.799 4.475 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.993 -9.614 4.281 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.077 -9.052 5.618 1.00 0.00 C ATOM 1602 C ALA A 102 -9.636 -10.106 6.575 1.00 0.00 C ATOM 1603 O ALA A 102 -10.435 -10.951 6.176 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.931 -7.783 5.586 1.00 0.00 C ATOM 0 H ALA A 102 -9.851 -9.545 3.734 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.088 -8.770 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.994 -7.361 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.476 -7.055 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.932 -8.027 5.232 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.193 -10.022 7.821 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.639 -10.958 8.839 1.00 0.00 C ATOM 1612 C ALA A 103 -11.135 -10.758 9.090 1.00 0.00 C ATOM 1613 O ALA A 103 -11.925 -11.686 8.925 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.805 -10.769 10.108 1.00 0.00 C ATOM 0 H ALA A 103 -8.530 -9.320 8.149 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.495 -11.985 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.140 -11.471 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.754 -10.951 9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.926 -9.750 10.475 1.00 0.00 H new ATOM 1620 N THR A 104 -11.479 -9.541 9.484 1.00 0.00 N ATOM 1621 CA THR A 104 -12.866 -9.207 9.759 1.00 0.00 C ATOM 1622 C THR A 104 -13.464 -8.414 8.596 1.00 0.00 C ATOM 1623 O THR A 104 -12.734 -7.867 7.771 1.00 0.00 O ATOM 1624 CB THR A 104 -12.917 -8.460 11.093 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.950 -7.423 10.948 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.388 -9.302 12.257 1.00 0.00 C ATOM 0 H THR A 104 -10.821 -8.774 9.619 1.00 0.00 H new ATOM 0 HA THR A 104 -13.478 -10.104 9.849 1.00 0.00 H new ATOM 0 HB THR A 104 -13.944 -8.158 11.300 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.919 -6.888 11.768 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.447 -8.725 13.180 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.990 -10.206 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.351 -9.576 12.066 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.824 -8.375 8.566 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.529 -7.658 7.517 1.00 0.00 C ATOM 1636 C PRO A 105 -15.456 -6.147 7.742 1.00 0.00 C ATOM 1637 O PRO A 105 -15.905 -5.368 6.902 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.949 -8.198 7.558 1.00 0.00 C ATOM 1639 CG PRO A 105 -17.107 -8.851 8.922 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.722 -9.011 9.525 1.00 0.00 C ATOM 0 HA PRO A 105 -15.088 -7.811 6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.676 -7.397 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -17.116 -8.919 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.736 -8.238 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.596 -9.820 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.659 -8.534 10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.471 -10.062 9.666 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.888 -5.777 8.880 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.751 -4.372 9.226 1.00 0.00 C ATOM 1650 C LYS A 106 -13.381 -3.869 8.767 1.00 0.00 C ATOM 1651 O LYS A 106 -13.228 -2.696 8.430 1.00 0.00 O ATOM 1652 CB LYS A 106 -15.015 -4.160 10.718 1.00 0.00 C ATOM 1653 CG LYS A 106 -15.192 -2.674 11.038 1.00 0.00 C ATOM 1654 CD LYS A 106 -16.126 -2.477 12.234 1.00 0.00 C ATOM 1655 CE LYS A 106 -17.442 -1.828 11.801 1.00 0.00 C ATOM 1656 NZ LYS A 106 -18.352 -1.679 12.959 1.00 0.00 N ATOM 0 H LYS A 106 -14.517 -6.425 9.575 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.501 -3.777 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.909 -4.708 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.186 -4.564 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.221 -2.227 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.596 -2.157 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.328 -3.439 12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.638 -1.853 12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.244 -0.852 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.919 -2.436 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.240 -1.237 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.554 -2.615 13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.901 -1.080 13.680 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.421 -4.782 8.768 1.00 0.00 N ATOM 1671 CA GLU A 107 -11.069 -4.445 8.355 1.00 0.00 C ATOM 1672 C GLU A 107 -11.036 -4.116 6.861 1.00 0.00 C ATOM 1673 O GLU A 107 -10.597 -3.036 6.470 1.00 0.00 O ATOM 1674 CB GLU A 107 -10.096 -5.578 8.688 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.745 -5.360 8.003 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.943 -4.266 8.710 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.537 -3.194 8.954 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.752 -4.526 8.990 1.00 0.00 O ATOM 0 H GLU A 107 -12.552 -5.754 9.048 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.751 -3.562 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.955 -5.636 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.519 -6.531 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.178 -6.291 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.902 -5.085 6.960 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.507 -5.067 6.068 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.537 -4.891 4.626 1.00 0.00 C ATOM 1687 C ARG A 108 -11.914 -3.450 4.274 1.00 0.00 C ATOM 1688 O ARG A 108 -11.315 -2.847 3.386 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.539 -5.847 3.975 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.667 -5.569 2.476 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.055 -5.021 2.137 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.973 -6.134 1.807 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.086 -5.998 1.074 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.425 -4.796 0.588 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -16.859 -7.064 0.825 1.00 0.00 N ATOM 0 H ARG A 108 -11.871 -5.962 6.396 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.540 -5.112 4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.219 -6.877 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.513 -5.740 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.904 -4.853 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.487 -6.486 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.447 -4.454 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.987 -4.333 1.294 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.744 -7.063 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.836 -3.985 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.272 -4.692 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.600 -7.979 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.706 -6.960 0.267 1.00 0.00 H new ATOM 1709 N THR A 109 -12.906 -2.941 4.990 1.00 0.00 N ATOM 1710 CA THR A 109 -13.371 -1.583 4.765 1.00 0.00 C ATOM 1711 C THR A 109 -12.342 -0.575 5.283 1.00 0.00 C ATOM 1712 O THR A 109 -11.977 0.363 4.576 1.00 0.00 O ATOM 1713 CB THR A 109 -14.746 -1.438 5.421 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.655 -1.894 4.423 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.138 0.024 5.643 1.00 0.00 C ATOM 0 H THR A 109 -13.401 -3.445 5.726 1.00 0.00 H new ATOM 0 HA THR A 109 -13.479 -1.374 3.701 1.00 0.00 H new ATOM 0 HB THR A 109 -14.750 -1.963 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.572 -1.836 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.121 0.070 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.405 0.503 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.167 0.542 4.685 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.905 -0.802 6.512 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.926 0.074 7.132 1.00 0.00 C ATOM 1725 C GLU A 110 -9.704 0.231 6.225 1.00 0.00 C ATOM 1726 O GLU A 110 -9.344 1.345 5.850 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.521 -0.446 8.513 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.644 -0.234 9.530 1.00 0.00 C ATOM 1729 CD GLU A 110 -11.078 0.150 10.899 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.485 -0.744 11.539 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.252 1.330 11.274 1.00 0.00 O ATOM 0 H GLU A 110 -12.211 -1.580 7.096 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.381 1.055 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.279 -1.507 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.620 0.067 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.316 0.549 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.235 -1.145 9.619 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.099 -0.902 5.900 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.925 -0.905 5.044 1.00 0.00 C ATOM 1740 C TRP A 111 -8.172 0.079 3.899 1.00 0.00 C ATOM 1741 O TRP A 111 -7.423 1.039 3.728 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.604 -2.320 4.558 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.430 -2.977 5.287 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.395 -4.177 5.881 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.113 -2.417 5.476 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.158 -4.432 6.437 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.353 -3.327 6.182 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.581 -1.182 5.063 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.019 -3.099 6.539 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.246 -0.970 5.427 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.468 -1.875 6.138 1.00 0.00 C ATOM 0 H TRP A 111 -9.400 -1.825 6.214 1.00 0.00 H new ATOM 0 HA TRP A 111 -7.044 -0.581 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.489 -2.944 4.680 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.382 -2.285 3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.231 -4.860 5.920 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.885 -5.275 6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.157 -0.455 4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.446 -3.827 7.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.788 -0.037 5.134 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.443 -1.636 6.381 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.226 -0.195 3.144 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.582 0.654 2.020 1.00 0.00 C ATOM 1764 C ILE A 112 -9.397 2.121 2.415 1.00 0.00 C ATOM 1765 O ILE A 112 -8.550 2.816 1.856 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.991 0.324 1.523 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.954 -0.773 0.457 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.707 1.582 1.027 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.862 -1.943 0.843 1.00 0.00 C ATOM 0 H ILE A 112 -9.845 -0.993 3.289 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.919 0.465 1.176 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.567 -0.063 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.270 -0.364 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.931 -1.128 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.706 1.319 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.784 2.302 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.142 2.023 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.818 -2.709 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.528 -2.365 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.888 -1.589 0.945 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.204 2.548 3.375 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.140 3.919 3.852 1.00 0.00 C ATOM 1783 C LYS A 113 -8.711 4.232 4.302 1.00 0.00 C ATOM 1784 O LYS A 113 -8.248 5.363 4.166 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.192 4.159 4.936 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.544 3.571 4.528 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.683 4.204 5.331 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.598 3.131 5.924 1.00 0.00 C ATOM 1789 NZ LYS A 113 -15.615 3.746 6.805 1.00 0.00 N ATOM 0 H LYS A 113 -10.906 1.969 3.836 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.381 4.614 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.863 3.709 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.296 5.229 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.710 3.736 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.538 2.493 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.271 4.818 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.262 4.866 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.089 2.580 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.006 2.412 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -16.228 3.004 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.142 4.252 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.191 4.415 6.256 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.053 3.209 4.828 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.687 3.361 5.298 1.00 0.00 C ATOM 1805 C ALA A 114 -5.790 3.762 4.126 1.00 0.00 C ATOM 1806 O ALA A 114 -5.085 4.768 4.194 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.229 2.062 5.965 1.00 0.00 C ATOM 0 H ALA A 114 -8.441 2.272 4.939 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.625 4.151 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.204 2.176 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.881 1.837 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.276 1.246 5.243 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.846 2.955 3.076 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.047 3.214 1.890 1.00 0.00 C ATOM 1815 C ILE A 115 -5.460 4.557 1.285 1.00 0.00 C ATOM 1816 O ILE A 115 -4.609 5.379 0.951 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.147 2.042 0.912 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.452 0.799 1.471 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.606 2.430 -0.466 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.377 -0.418 1.419 1.00 0.00 C ATOM 0 H ILE A 115 -6.432 2.122 3.022 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.992 3.293 2.151 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.200 1.792 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.547 0.596 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.144 0.982 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.689 1.579 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.184 3.265 -0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.560 2.722 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.858 -1.287 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.270 -0.222 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.663 -0.614 0.386 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.767 4.738 1.163 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.303 5.968 0.605 1.00 0.00 C ATOM 1834 C GLN A 116 -6.749 7.179 1.357 1.00 0.00 C ATOM 1835 O GLN A 116 -6.269 8.130 0.743 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.833 5.960 0.629 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.384 4.667 0.024 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.295 4.966 -1.169 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -9.888 5.542 -2.164 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.546 4.542 -1.014 1.00 0.00 N ATOM 0 H GLN A 116 -7.470 4.054 1.441 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.989 6.038 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.185 6.064 1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.214 6.817 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.559 4.030 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.940 4.115 0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.820 4.066 -0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.231 4.693 -1.755 1.00 0.00 H new ATOM 1849 N MET A 117 -6.833 7.104 2.678 1.00 0.00 N ATOM 1850 CA MET A 117 -6.345 8.182 3.521 1.00 0.00 C ATOM 1851 C MET A 117 -4.917 8.575 3.138 1.00 0.00 C ATOM 1852 O MET A 117 -4.620 9.755 2.960 1.00 0.00 O ATOM 1853 CB MET A 117 -6.379 7.741 4.985 1.00 0.00 C ATOM 1854 CG MET A 117 -5.022 7.962 5.656 1.00 0.00 C ATOM 1855 SD MET A 117 -5.176 7.770 7.424 1.00 0.00 S ATOM 1856 CE MET A 117 -5.977 6.176 7.494 1.00 0.00 C ATOM 0 H MET A 117 -7.232 6.313 3.184 1.00 0.00 H new ATOM 0 HA MET A 117 -6.990 9.049 3.379 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.148 8.299 5.519 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.651 6.687 5.045 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.294 7.250 5.267 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.649 8.959 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 117 -6.053 5.852 8.532 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.975 6.251 7.063 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.392 5.450 6.929 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.070 7.562 3.024 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.679 7.786 2.666 1.00 0.00 C ATOM 1868 C ALA A 118 -2.602 8.273 1.218 1.00 0.00 C ATOM 1869 O ALA A 118 -2.065 9.347 0.948 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.880 6.501 2.892 1.00 0.00 C ATOM 0 H ALA A 118 -4.320 6.584 3.173 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.240 8.558 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.837 6.669 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.943 6.213 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.290 5.704 2.272 1.00 0.00 H new ATOM 1876 N SER A 119 -3.146 7.461 0.324 1.00 0.00 N ATOM 1877 CA SER A 119 -3.146 7.795 -1.090 1.00 0.00 C ATOM 1878 C SER A 119 -3.655 9.224 -1.290 1.00 0.00 C ATOM 1879 O SER A 119 -3.202 9.928 -2.191 1.00 0.00 O ATOM 1880 CB SER A 119 -4.001 6.810 -1.889 1.00 0.00 C ATOM 1881 OG SER A 119 -5.390 6.959 -1.609 1.00 0.00 O ATOM 0 H SER A 119 -3.590 6.572 0.552 1.00 0.00 H new ATOM 0 HA SER A 119 -2.122 7.726 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.828 6.961 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.692 5.791 -1.657 1.00 0.00 H new ATOM 0 HG SER A 119 -5.503 7.405 -0.744 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.591 9.610 -0.434 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.167 10.942 -0.505 1.00 0.00 C ATOM 1889 C ARG A 120 -4.091 11.999 -0.249 1.00 0.00 C ATOM 1890 O ARG A 120 -4.179 13.115 -0.759 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.292 11.111 0.517 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.615 10.572 -0.030 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.181 11.498 -1.108 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.577 11.117 -1.421 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.611 11.307 -0.591 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.414 11.874 0.607 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.843 10.930 -0.960 1.00 0.00 N ATOM 0 H ARG A 120 -4.964 9.023 0.312 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.579 11.073 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.034 10.587 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.402 12.165 0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.462 9.576 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.335 10.472 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.146 12.532 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.569 11.439 -2.008 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.763 10.683 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.476 12.161 0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.202 12.018 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.993 10.499 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.631 11.074 -0.329 1.00 0.00 H new