USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 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: B 66 GLN : amide:sc= 0.49 X(o=-4.2,f=-4.4) USER MOD Set 1.2: B 76 ASN : amide:sc= -4.68! C(o=-4.2!,f=-4.4!) USER MOD Set 2.1: B 64 GLN : amide:sc= -3.36! C(o=-7.1!,f=-9.5!) USER MOD Set 2.2: B 78 HIS : no HD1:sc= -3.7 X(o=-7.1,f=-6.6!) USER MOD Set 3.1: B 45 HIS : no HE2:sc= -1.15! K(o=-0.12!,f=-2.5) USER MOD Set 3.2: B 75 THR OG1 : rot -133:sc= 1.02 USER MOD Set 4.1: B 13 LYS NZ :NH3+ -112:sc= -0.45 (180deg=-3.78!) USER MOD Set 4.2: B 81 ASN : amide:sc= -1.39 K(o=-1.1,f=-8.1!) USER MOD Set 4.3: B 83 SER OG : rot -39:sc= 0.706 USER MOD Set 5.1: A 414 LYS NZ :NH3+ 146:sc= 2.14 (180deg=-0.101) USER MOD Set 5.2: B 97 GLN : amide:sc= -7.17! C(o=-5!,f=-16!) USER MOD Single : B 14 LYS NZ :NH3+ -172:sc= -0.237 (180deg=-0.597) USER MOD Single : B 17 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.1) USER MOD Single : B 18 LYS NZ :NH3+ -161:sc= 1.03 (180deg=-0.0625!) USER MOD Single : B 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0167) USER MOD Single : B 20 GLN : amide:sc= 0.915 K(o=0.92,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= -0.0121 USER MOD Single : B 27 MET CE :methyl 175:sc= -3.26! (180deg=-3.6!) USER MOD Single : B 42 THR OG1 : rot -18:sc= 0.655 USER MOD Single : B 44 SER OG : rot 180:sc= 0.363 USER MOD Single : B 46 MET CE :methyl -148:sc= -0.424 (180deg=-1.37!) USER MOD Single : B 47 TYR OH : rot 158:sc= 1.14 USER MOD Single : B 51 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.15) USER MOD Single : B 52 CYS SG : rot 107:sc= 1.21 USER MOD Single : B 53 GLN : amide:sc= -6.96! K(o=-7!,f=-4.7) USER MOD Single : B 54 LYS NZ :NH3+ 162:sc= 0.449 (180deg=-2!) USER MOD Single : B 56 SER OG : rot 151:sc= 0.564! USER MOD Single : B 60 LYS NZ :NH3+ -179:sc= 0.776 (180deg=0.757) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= 0.0499 K(o=0.05,f=-1.8) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 46:sc= 1.05 USER MOD Single : B 84 THR OG1 : rot 52:sc= 1.27 USER MOD Single : B 87 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0.494) USER MOD Single : B 93 LYS NZ :NH3+ -173:sc= 1.39 (180deg=1.25) USER MOD Single : B 98 GLN : amide:sc= -2.14! C(o=-2.1!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.822 8.809 12.234 1.00 0.00 N ATOM 230 CA ASP A 405 9.591 7.397 12.515 1.00 0.00 C ATOM 231 C ASP A 405 8.542 7.232 13.595 1.00 0.00 C ATOM 232 O ASP A 405 8.100 6.118 13.884 1.00 0.00 O ATOM 233 CB ASP A 405 10.890 6.698 12.933 1.00 0.00 C ATOM 234 CG ASP A 405 11.917 6.634 11.816 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.546 6.306 10.669 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.104 6.914 12.080 1.00 0.00 O ATOM 0 HA ASP A 405 9.229 6.931 11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.321 7.224 13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.660 5.686 13.266 1.00 0.00 H new ATOM 241 N GLU A 406 8.127 8.340 14.179 1.00 0.00 N ATOM 242 CA GLU A 406 7.127 8.311 15.223 1.00 0.00 C ATOM 243 C GLU A 406 5.897 9.090 14.821 1.00 0.00 C ATOM 244 O GLU A 406 5.849 9.674 13.744 1.00 0.00 O ATOM 245 CB GLU A 406 7.664 8.865 16.550 1.00 0.00 C ATOM 246 CG GLU A 406 8.658 10.020 16.426 1.00 0.00 C ATOM 247 CD GLU A 406 8.259 11.089 15.421 1.00 0.00 C ATOM 248 OE1 GLU A 406 7.521 12.024 15.793 1.00 0.00 O ATOM 249 OE2 GLU A 406 8.693 10.996 14.258 1.00 0.00 O ATOM 0 H GLU A 406 8.469 9.272 13.946 1.00 0.00 H new ATOM 0 HA GLU A 406 6.862 7.264 15.367 1.00 0.00 H new ATOM 0 HB2 GLU A 406 6.819 9.198 17.153 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.144 8.052 17.095 1.00 0.00 H new ATOM 0 HG2 GLU A 406 8.779 10.486 17.404 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.630 9.617 16.142 1.00 0.00 H new ATOM 256 N ASP A 407 4.913 9.081 15.704 1.00 0.00 N ATOM 257 CA ASP A 407 3.668 9.776 15.498 1.00 0.00 C ATOM 258 C ASP A 407 2.960 9.291 14.243 1.00 0.00 C ATOM 259 O ASP A 407 2.858 10.008 13.255 1.00 0.00 O ATOM 260 CB ASP A 407 3.855 11.289 15.485 1.00 0.00 C ATOM 261 CG ASP A 407 2.537 12.032 15.566 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.600 11.512 16.208 1.00 0.00 O ATOM 263 OD2 ASP A 407 2.443 13.138 14.991 1.00 0.00 O ATOM 0 H ASP A 407 4.964 8.583 16.593 1.00 0.00 H new ATOM 0 HA ASP A 407 3.027 9.541 16.348 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.487 11.582 16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.378 11.580 14.574 1.00 0.00 H new ATOM 268 N PHE A 408 2.566 8.022 14.263 1.00 0.00 N ATOM 269 CA PHE A 408 1.801 7.427 13.187 1.00 0.00 C ATOM 270 C PHE A 408 0.578 6.806 13.804 1.00 0.00 C ATOM 271 O PHE A 408 0.671 5.999 14.730 1.00 0.00 O ATOM 272 CB PHE A 408 2.588 6.360 12.408 1.00 0.00 C ATOM 273 CG PHE A 408 3.683 6.903 11.547 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.545 6.925 10.173 1.00 0.00 C ATOM 275 CD2 PHE A 408 4.841 7.405 12.105 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.535 7.441 9.373 1.00 0.00 C ATOM 277 CE2 PHE A 408 5.837 7.918 11.309 1.00 0.00 C ATOM 278 CZ PHE A 408 5.681 7.939 9.942 1.00 0.00 C ATOM 0 H PHE A 408 2.771 7.381 15.029 1.00 0.00 H new ATOM 0 HA PHE A 408 1.548 8.204 12.465 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.018 5.653 13.118 1.00 0.00 H new ATOM 0 HB3 PHE A 408 1.894 5.800 11.781 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.646 6.531 9.722 1.00 0.00 H new ATOM 0 HD2 PHE A 408 4.966 7.395 13.178 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.412 7.455 8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.741 8.304 11.756 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.461 8.348 9.316 1.00 0.00 H new ATOM 288 N VAL A 409 -0.559 7.185 13.289 1.00 0.00 N ATOM 289 CA VAL A 409 -1.807 6.701 13.778 1.00 0.00 C ATOM 290 C VAL A 409 -2.124 5.408 13.093 1.00 0.00 C ATOM 291 O VAL A 409 -2.208 5.339 11.871 1.00 0.00 O ATOM 292 CB VAL A 409 -2.869 7.785 13.597 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.558 8.831 14.593 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.833 8.422 12.245 1.00 0.00 C ATOM 0 H VAL A 409 -0.639 7.843 12.514 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.771 6.486 14.846 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.854 7.335 13.716 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.286 9.638 14.513 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.599 8.403 15.595 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.559 9.225 14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.611 9.183 12.180 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.859 8.885 12.087 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -3.003 7.663 11.481 1.00 0.00 H new ATOM 304 N GLU A 410 -2.258 4.375 13.895 1.00 0.00 N ATOM 305 CA GLU A 410 -2.474 3.050 13.376 1.00 0.00 C ATOM 306 C GLU A 410 -3.667 2.986 12.439 1.00 0.00 C ATOM 307 O GLU A 410 -4.770 3.439 12.753 1.00 0.00 O ATOM 308 CB GLU A 410 -2.637 2.030 14.493 1.00 0.00 C ATOM 309 CG GLU A 410 -2.408 0.608 14.011 1.00 0.00 C ATOM 310 CD GLU A 410 -1.161 -0.011 14.603 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.389 -0.644 13.852 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.910 0.176 15.811 1.00 0.00 O ATOM 0 H GLU A 410 -2.220 4.431 14.913 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.582 2.800 12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.935 2.257 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.639 2.112 14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -3.272 -0.004 14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -2.330 0.604 12.924 1.00 0.00 H new ATOM 319 N VAL A 411 -3.411 2.427 11.283 1.00 0.00 N ATOM 320 CA VAL A 411 -4.402 2.253 10.263 1.00 0.00 C ATOM 321 C VAL A 411 -4.871 0.804 10.278 1.00 0.00 C ATOM 322 O VAL A 411 -4.083 -0.120 10.042 1.00 0.00 O ATOM 323 CB VAL A 411 -3.855 2.623 8.872 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.994 2.763 7.891 1.00 0.00 C ATOM 325 CG2 VAL A 411 -3.076 3.892 8.941 1.00 0.00 C ATOM 0 H VAL A 411 -2.489 2.075 11.024 1.00 0.00 H new ATOM 0 HA VAL A 411 -5.239 2.921 10.469 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.191 1.827 8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.599 3.025 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.535 1.819 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.672 3.546 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.696 4.140 7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.721 4.696 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.240 3.769 9.630 1.00 0.00 H new ATOM 335 N PRO A 412 -6.147 0.595 10.610 1.00 0.00 N ATOM 336 CA PRO A 412 -6.751 -0.738 10.677 1.00 0.00 C ATOM 337 C PRO A 412 -7.160 -1.251 9.305 1.00 0.00 C ATOM 338 O PRO A 412 -7.099 -0.518 8.322 1.00 0.00 O ATOM 339 CB PRO A 412 -7.992 -0.485 11.527 1.00 0.00 C ATOM 340 CG PRO A 412 -8.399 0.895 11.145 1.00 0.00 C ATOM 341 CD PRO A 412 -7.116 1.652 10.960 1.00 0.00 C ATOM 0 HA PRO A 412 -6.069 -1.490 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.779 -1.209 11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.771 -0.558 12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.989 0.891 10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -9.016 1.351 11.919 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -7.200 2.399 10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.825 2.180 11.868 1.00 0.00 H new ATOM 349 N GLU A 413 -7.584 -2.503 9.248 1.00 0.00 N ATOM 350 CA GLU A 413 -8.028 -3.104 8.001 1.00 0.00 C ATOM 351 C GLU A 413 -9.519 -2.826 7.816 1.00 0.00 C ATOM 352 O GLU A 413 -10.232 -2.602 8.794 1.00 0.00 O ATOM 353 CB GLU A 413 -7.782 -4.616 8.014 1.00 0.00 C ATOM 354 CG GLU A 413 -6.655 -5.049 8.939 1.00 0.00 C ATOM 355 CD GLU A 413 -5.420 -5.504 8.190 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.477 -4.705 8.045 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.377 -6.672 7.756 1.00 0.00 O ATOM 0 H GLU A 413 -7.630 -3.125 10.055 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.463 -2.670 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.700 -5.121 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.554 -4.946 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.391 -4.219 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -7.006 -5.860 9.577 1.00 0.00 H new ATOM 364 N LYS A 414 -9.989 -2.821 6.576 1.00 0.00 N ATOM 365 CA LYS A 414 -11.400 -2.571 6.314 1.00 0.00 C ATOM 366 C LYS A 414 -12.049 -3.744 5.598 1.00 0.00 C ATOM 367 O LYS A 414 -13.125 -4.186 5.993 1.00 0.00 O ATOM 368 CB LYS A 414 -11.585 -1.294 5.501 1.00 0.00 C ATOM 369 CG LYS A 414 -11.768 -0.059 6.361 1.00 0.00 C ATOM 370 CD LYS A 414 -10.883 1.077 5.894 1.00 0.00 C ATOM 371 CE LYS A 414 -11.505 1.849 4.745 1.00 0.00 C ATOM 372 NZ LYS A 414 -10.996 3.248 4.678 1.00 0.00 N ATOM 0 H LYS A 414 -9.422 -2.985 5.744 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.892 -2.447 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.718 -1.154 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.452 -1.408 4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.811 0.255 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.537 -0.299 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.695 1.755 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.917 0.679 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.290 1.339 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.589 1.862 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -10.941 3.550 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.642 3.877 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.050 3.294 5.107 1.00 0.00 H new ATOM 786 N VAL B 8 -0.107 -2.553 -10.984 1.00 0.00 N ATOM 787 CA VAL B 8 -0.037 -1.330 -10.202 1.00 0.00 C ATOM 788 C VAL B 8 -1.417 -0.686 -10.139 1.00 0.00 C ATOM 789 O VAL B 8 -1.854 -0.030 -11.082 1.00 0.00 O ATOM 790 CB VAL B 8 0.970 -0.331 -10.808 1.00 0.00 C ATOM 791 CG1 VAL B 8 1.130 0.882 -9.905 1.00 0.00 C ATOM 792 CG2 VAL B 8 2.315 -1.003 -11.046 1.00 0.00 C ATOM 0 HA VAL B 8 0.302 -1.588 -9.199 1.00 0.00 H new ATOM 0 HB VAL B 8 0.581 0.006 -11.769 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.844 1.575 -10.350 1.00 0.00 H new ATOM 0 HG12 VAL B 8 0.167 1.379 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.494 0.563 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL B 8 3.011 -0.282 -11.474 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.710 -1.372 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.188 -1.838 -11.736 1.00 0.00 H new ATOM 802 N LEU B 9 -2.102 -0.903 -9.026 1.00 0.00 N ATOM 803 CA LEU B 9 -3.441 -0.369 -8.829 1.00 0.00 C ATOM 804 C LEU B 9 -3.390 1.088 -8.397 1.00 0.00 C ATOM 805 O LEU B 9 -4.246 1.887 -8.771 1.00 0.00 O ATOM 806 CB LEU B 9 -4.194 -1.175 -7.765 1.00 0.00 C ATOM 807 CG LEU B 9 -4.000 -2.691 -7.808 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.636 -3.336 -6.589 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.588 -3.281 -9.081 1.00 0.00 C ATOM 0 H LEU B 9 -1.749 -1.449 -8.240 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.964 -0.443 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.887 -0.817 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.259 -0.962 -7.863 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.930 -2.897 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.491 -4.415 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.171 -2.943 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.703 -3.113 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.436 -4.360 -9.086 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.655 -3.065 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.094 -2.841 -9.948 1.00 0.00 H new ATOM 821 N LEU B 10 -2.386 1.437 -7.604 1.00 0.00 N ATOM 822 CA LEU B 10 -2.273 2.811 -7.117 1.00 0.00 C ATOM 823 C LEU B 10 -0.914 3.418 -7.430 1.00 0.00 C ATOM 824 O LEU B 10 0.114 2.754 -7.307 1.00 0.00 O ATOM 825 CB LEU B 10 -2.529 2.868 -5.612 1.00 0.00 C ATOM 826 CG LEU B 10 -2.890 4.254 -5.076 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.309 4.638 -5.464 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.725 4.296 -3.569 1.00 0.00 C ATOM 0 H LEU B 10 -1.651 0.805 -7.288 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.030 3.398 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.337 2.178 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.639 2.513 -5.092 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.210 4.978 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.539 5.628 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.398 4.650 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.009 3.911 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.986 5.289 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.381 3.556 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.690 4.074 -3.310 1.00 0.00 H new ATOM 840 N ILE B 11 -0.919 4.684 -7.832 1.00 0.00 N ATOM 841 CA ILE B 11 0.309 5.395 -8.153 1.00 0.00 C ATOM 842 C ILE B 11 0.387 6.719 -7.395 1.00 0.00 C ATOM 843 O ILE B 11 -0.344 7.664 -7.693 1.00 0.00 O ATOM 844 CB ILE B 11 0.431 5.680 -9.669 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.430 4.372 -10.467 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.696 6.483 -9.959 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.494 4.575 -11.966 1.00 0.00 C ATOM 0 H ILE B 11 -1.767 5.240 -7.943 1.00 0.00 H new ATOM 0 HA ILE B 11 1.132 4.747 -7.850 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.432 6.269 -9.979 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.280 3.765 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.471 3.809 -10.223 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.767 6.675 -11.030 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.657 7.431 -9.422 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.569 5.917 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.490 3.606 -12.465 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.370 5.155 -12.292 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.408 5.111 -12.222 1.00 0.00 H new ATOM 859 N VAL B 12 1.267 6.765 -6.410 1.00 0.00 N ATOM 860 CA VAL B 12 1.491 7.959 -5.610 1.00 0.00 C ATOM 861 C VAL B 12 2.857 8.521 -5.972 1.00 0.00 C ATOM 862 O VAL B 12 3.801 7.762 -6.185 1.00 0.00 O ATOM 863 CB VAL B 12 1.423 7.641 -4.104 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.787 8.856 -3.270 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.036 7.140 -3.738 1.00 0.00 C ATOM 0 H VAL B 12 1.849 5.972 -6.141 1.00 0.00 H new ATOM 0 HA VAL B 12 0.712 8.691 -5.821 1.00 0.00 H new ATOM 0 HB VAL B 12 2.150 6.858 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.730 8.601 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.801 9.173 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.091 9.667 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.001 6.918 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.702 7.906 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.185 6.236 -4.305 1.00 0.00 H new ATOM 875 N LYS B 13 2.977 9.832 -6.046 1.00 0.00 N ATOM 876 CA LYS B 13 4.243 10.439 -6.436 1.00 0.00 C ATOM 877 C LYS B 13 4.860 11.241 -5.310 1.00 0.00 C ATOM 878 O LYS B 13 4.244 11.430 -4.262 1.00 0.00 O ATOM 879 CB LYS B 13 4.045 11.338 -7.652 1.00 0.00 C ATOM 880 CG LYS B 13 3.328 10.653 -8.797 1.00 0.00 C ATOM 881 CD LYS B 13 2.157 11.481 -9.292 1.00 0.00 C ATOM 882 CE LYS B 13 0.959 11.398 -8.351 1.00 0.00 C ATOM 883 NZ LYS B 13 1.014 12.416 -7.263 1.00 0.00 N ATOM 0 H LYS B 13 2.227 10.493 -5.845 1.00 0.00 H new ATOM 0 HA LYS B 13 4.926 9.627 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.478 12.220 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.018 11.687 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.027 10.483 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.973 9.675 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.466 12.521 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS B 13 1.863 11.137 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS B 13 0.042 11.533 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS B 13 0.916 10.402 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 1.163 11.941 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.799 13.074 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.119 12.944 -7.236 1.00 0.00 H new ATOM 897 N LYS B 14 6.072 11.724 -5.570 1.00 0.00 N ATOM 898 CA LYS B 14 6.840 12.513 -4.630 1.00 0.00 C ATOM 899 C LYS B 14 6.783 11.926 -3.226 1.00 0.00 C ATOM 900 O LYS B 14 6.276 12.546 -2.293 1.00 0.00 O ATOM 901 CB LYS B 14 6.328 13.943 -4.664 1.00 0.00 C ATOM 902 CG LYS B 14 6.773 14.722 -5.895 1.00 0.00 C ATOM 903 CD LYS B 14 7.942 15.650 -5.598 1.00 0.00 C ATOM 904 CE LYS B 14 9.168 14.889 -5.124 1.00 0.00 C ATOM 905 NZ LYS B 14 9.607 13.855 -6.101 1.00 0.00 N ATOM 0 H LYS B 14 6.550 11.571 -6.458 1.00 0.00 H new ATOM 0 HA LYS B 14 7.890 12.500 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.239 13.931 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.672 14.464 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS B 14 7.057 14.023 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.935 15.306 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.192 16.217 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS B 14 7.647 16.372 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS B 14 9.984 15.591 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.950 14.412 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 10.358 13.274 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.800 13.249 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 9.970 14.319 -6.958 1.00 0.00 H new ATOM 919 N VAL B 15 7.312 10.726 -3.093 1.00 0.00 N ATOM 920 CA VAL B 15 7.350 10.028 -1.824 1.00 0.00 C ATOM 921 C VAL B 15 8.792 9.732 -1.460 1.00 0.00 C ATOM 922 O VAL B 15 9.518 9.112 -2.233 1.00 0.00 O ATOM 923 CB VAL B 15 6.540 8.716 -1.868 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.702 7.929 -0.575 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.075 9.014 -2.126 1.00 0.00 C ATOM 0 H VAL B 15 7.729 10.206 -3.865 1.00 0.00 H new ATOM 0 HA VAL B 15 6.896 10.669 -1.069 1.00 0.00 H new ATOM 0 HB VAL B 15 6.925 8.105 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL B 15 6.120 7.009 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.754 7.684 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.348 8.529 0.263 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.513 8.080 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.686 9.647 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.971 9.530 -3.081 1.00 0.00 H new ATOM 935 N ARG B 16 9.206 10.181 -0.295 1.00 0.00 N ATOM 936 CA ARG B 16 10.569 9.980 0.148 1.00 0.00 C ATOM 937 C ARG B 16 10.656 8.905 1.219 1.00 0.00 C ATOM 938 O ARG B 16 9.871 8.879 2.165 1.00 0.00 O ATOM 939 CB ARG B 16 11.149 11.302 0.653 1.00 0.00 C ATOM 940 CG ARG B 16 11.374 12.300 -0.468 1.00 0.00 C ATOM 941 CD ARG B 16 11.536 13.723 0.036 1.00 0.00 C ATOM 942 NE ARG B 16 11.789 14.640 -1.076 1.00 0.00 N ATOM 943 CZ ARG B 16 11.826 15.964 -0.979 1.00 0.00 C ATOM 944 NH1 ARG B 16 11.609 16.570 0.181 1.00 0.00 N ATOM 945 NH2 ARG B 16 12.077 16.682 -2.067 1.00 0.00 N ATOM 0 H ARG B 16 8.617 10.689 0.364 1.00 0.00 H new ATOM 0 HA ARG B 16 11.158 9.635 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.473 11.734 1.391 1.00 0.00 H new ATOM 0 HB3 ARG B 16 12.094 11.111 1.161 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.264 12.015 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.533 12.258 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.636 14.030 0.569 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.360 13.770 0.748 1.00 0.00 H new ATOM 0 HE ARG B 16 11.949 14.231 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.410 16.018 1.015 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.641 17.588 0.238 1.00 0.00 H new ATOM 0 HH21 ARG B 16 12.238 16.216 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG B 16 12.109 17.700 -2.010 1.00 0.00 H new ATOM 959 N GLN B 17 11.602 8.000 1.038 1.00 0.00 N ATOM 960 CA GLN B 17 11.830 6.920 1.978 1.00 0.00 C ATOM 961 C GLN B 17 13.225 7.058 2.564 1.00 0.00 C ATOM 962 O GLN B 17 14.209 6.731 1.905 1.00 0.00 O ATOM 963 CB GLN B 17 11.681 5.563 1.276 1.00 0.00 C ATOM 964 CG GLN B 17 11.180 4.444 2.180 1.00 0.00 C ATOM 965 CD GLN B 17 12.236 3.914 3.135 1.00 0.00 C ATOM 966 OE1 GLN B 17 11.928 3.500 4.252 1.00 0.00 O ATOM 967 NE2 GLN B 17 13.489 3.917 2.704 1.00 0.00 N ATOM 0 H GLN B 17 12.232 7.994 0.236 1.00 0.00 H new ATOM 0 HA GLN B 17 11.092 6.974 2.778 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.993 5.674 0.438 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.646 5.274 0.860 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.330 4.808 2.757 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.817 3.623 1.561 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.707 4.268 1.771 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.236 3.568 3.305 1.00 0.00 H new ATOM 976 N LYS B 18 13.295 7.543 3.800 1.00 0.00 N ATOM 977 CA LYS B 18 14.554 7.738 4.505 1.00 0.00 C ATOM 978 C LYS B 18 15.584 8.494 3.654 1.00 0.00 C ATOM 979 O LYS B 18 16.612 7.938 3.253 1.00 0.00 O ATOM 980 CB LYS B 18 15.089 6.391 4.973 1.00 0.00 C ATOM 981 CG LYS B 18 14.534 5.944 6.322 1.00 0.00 C ATOM 982 CD LYS B 18 14.477 7.090 7.326 1.00 0.00 C ATOM 983 CE LYS B 18 14.143 6.595 8.727 1.00 0.00 C ATOM 984 NZ LYS B 18 13.937 7.710 9.693 1.00 0.00 N ATOM 0 H LYS B 18 12.474 7.813 4.342 1.00 0.00 H new ATOM 0 HA LYS B 18 14.366 8.365 5.377 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.851 5.636 4.224 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.176 6.444 5.037 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.534 5.533 6.184 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.155 5.143 6.722 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.436 7.608 7.342 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.728 7.815 7.008 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.242 5.982 8.687 1.00 0.00 H new ATOM 0 HE3 LYS B 18 14.949 5.954 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.033 7.350 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.648 8.450 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.985 8.109 9.564 1.00 0.00 H new ATOM 998 N LYS B 19 15.265 9.759 3.368 1.00 0.00 N ATOM 999 CA LYS B 19 16.115 10.654 2.586 1.00 0.00 C ATOM 1000 C LYS B 19 16.285 10.214 1.131 1.00 0.00 C ATOM 1001 O LYS B 19 17.264 10.570 0.477 1.00 0.00 O ATOM 1002 CB LYS B 19 17.461 10.794 3.278 1.00 0.00 C ATOM 1003 CG LYS B 19 17.529 11.952 4.260 1.00 0.00 C ATOM 1004 CD LYS B 19 17.796 13.269 3.545 1.00 0.00 C ATOM 1005 CE LYS B 19 17.458 14.462 4.421 1.00 0.00 C ATOM 1006 NZ LYS B 19 18.264 14.496 5.675 1.00 0.00 N ATOM 0 H LYS B 19 14.396 10.194 3.679 1.00 0.00 H new ATOM 0 HA LYS B 19 15.618 11.623 2.539 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.685 9.868 3.807 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.236 10.925 2.522 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.591 12.019 4.812 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.316 11.766 4.991 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.845 13.318 3.252 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.207 13.312 2.629 1.00 0.00 H new ATOM 0 HE2 LYS B 19 17.627 15.381 3.859 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.398 14.434 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 18.045 15.363 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 18.034 13.666 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 19.276 14.482 5.437 1.00 0.00 H new ATOM 1020 N GLN B 20 15.322 9.462 0.621 1.00 0.00 N ATOM 1021 CA GLN B 20 15.363 9.004 -0.763 1.00 0.00 C ATOM 1022 C GLN B 20 14.068 9.390 -1.468 1.00 0.00 C ATOM 1023 O GLN B 20 12.996 8.938 -1.083 1.00 0.00 O ATOM 1024 CB GLN B 20 15.574 7.491 -0.823 1.00 0.00 C ATOM 1025 CG GLN B 20 16.982 7.058 -0.449 1.00 0.00 C ATOM 1026 CD GLN B 20 17.018 5.690 0.203 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.094 4.667 -0.475 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.966 5.664 1.524 1.00 0.00 N ATOM 0 H GLN B 20 14.501 9.155 1.143 1.00 0.00 H new ATOM 0 HA GLN B 20 16.201 9.483 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.864 7.007 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.351 7.141 -1.831 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.604 7.046 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.415 7.792 0.231 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.903 6.536 2.049 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.989 4.772 2.018 1.00 0.00 H new ATOM 1037 N ASP B 21 14.170 10.223 -2.495 1.00 0.00 N ATOM 1038 CA ASP B 21 12.991 10.685 -3.231 1.00 0.00 C ATOM 1039 C ASP B 21 12.540 9.651 -4.260 1.00 0.00 C ATOM 1040 O ASP B 21 13.366 8.956 -4.857 1.00 0.00 O ATOM 1041 CB ASP B 21 13.291 12.014 -3.924 1.00 0.00 C ATOM 1042 CG ASP B 21 12.069 12.904 -4.022 1.00 0.00 C ATOM 1043 OD1 ASP B 21 11.011 12.418 -4.463 1.00 0.00 O ATOM 1044 OD2 ASP B 21 12.161 14.096 -3.650 1.00 0.00 O ATOM 0 H ASP B 21 15.055 10.595 -2.841 1.00 0.00 H new ATOM 0 HA ASP B 21 12.182 10.826 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP B 21 14.075 12.537 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP B 21 13.677 11.820 -4.925 1.00 0.00 H new ATOM 1049 N GLY B 22 11.231 9.555 -4.470 1.00 0.00 N ATOM 1050 CA GLY B 22 10.698 8.602 -5.420 1.00 0.00 C ATOM 1051 C GLY B 22 9.183 8.616 -5.495 1.00 0.00 C ATOM 1052 O GLY B 22 8.545 9.603 -5.144 1.00 0.00 O ATOM 0 H GLY B 22 10.529 10.124 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.106 8.816 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.033 7.601 -5.147 1.00 0.00 H new ATOM 1056 N ALA B 23 8.619 7.513 -5.957 1.00 0.00 N ATOM 1057 CA ALA B 23 7.176 7.360 -6.094 1.00 0.00 C ATOM 1058 C ALA B 23 6.740 6.045 -5.457 1.00 0.00 C ATOM 1059 O ALA B 23 7.485 5.063 -5.476 1.00 0.00 O ATOM 1060 CB ALA B 23 6.783 7.396 -7.564 1.00 0.00 C ATOM 0 H ALA B 23 9.150 6.693 -6.250 1.00 0.00 H new ATOM 0 HA ALA B 23 6.676 8.183 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.703 7.281 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.084 8.350 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.280 6.583 -8.094 1.00 0.00 H new ATOM 1066 N LEU B 24 5.545 6.020 -4.893 1.00 0.00 N ATOM 1067 CA LEU B 24 5.033 4.820 -4.250 1.00 0.00 C ATOM 1068 C LEU B 24 3.902 4.219 -5.068 1.00 0.00 C ATOM 1069 O LEU B 24 2.920 4.888 -5.379 1.00 0.00 O ATOM 1070 CB LEU B 24 4.551 5.130 -2.836 1.00 0.00 C ATOM 1071 CG LEU B 24 4.114 3.903 -2.039 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.315 3.151 -1.493 1.00 0.00 C ATOM 1073 CD2 LEU B 24 3.175 4.304 -0.915 1.00 0.00 C ATOM 0 H LEU B 24 4.910 6.817 -4.867 1.00 0.00 H new ATOM 0 HA LEU B 24 5.845 4.095 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.351 5.635 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.716 5.828 -2.894 1.00 0.00 H new ATOM 0 HG LEU B 24 3.579 3.235 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.975 2.282 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.946 2.824 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.888 3.807 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.874 3.417 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.684 4.997 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.292 4.786 -1.333 1.00 0.00 H new ATOM 1085 N TYR B 25 4.044 2.953 -5.413 1.00 0.00 N ATOM 1086 CA TYR B 25 3.040 2.265 -6.204 1.00 0.00 C ATOM 1087 C TYR B 25 2.440 1.105 -5.419 1.00 0.00 C ATOM 1088 O TYR B 25 3.160 0.339 -4.777 1.00 0.00 O ATOM 1089 CB TYR B 25 3.650 1.734 -7.503 1.00 0.00 C ATOM 1090 CG TYR B 25 4.529 2.720 -8.241 1.00 0.00 C ATOM 1091 CD1 TYR B 25 3.991 3.599 -9.172 1.00 0.00 C ATOM 1092 CD2 TYR B 25 5.900 2.758 -8.019 1.00 0.00 C ATOM 1093 CE1 TYR B 25 4.794 4.488 -9.859 1.00 0.00 C ATOM 1094 CE2 TYR B 25 6.709 3.646 -8.700 1.00 0.00 C ATOM 1095 CZ TYR B 25 6.151 4.509 -9.620 1.00 0.00 C ATOM 1096 OH TYR B 25 6.956 5.391 -10.305 1.00 0.00 O ATOM 0 H TYR B 25 4.847 2.379 -5.157 1.00 0.00 H new ATOM 0 HA TYR B 25 2.254 2.981 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.238 0.845 -7.275 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.843 1.421 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.928 3.587 -9.362 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.340 2.081 -7.302 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.360 5.164 -10.581 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.773 3.665 -8.513 1.00 0.00 H new ATOM 0 HH TYR B 25 7.886 5.277 -10.017 1.00 0.00 H new ATOM 1106 N LEU B 26 1.122 0.984 -5.464 1.00 0.00 N ATOM 1107 CA LEU B 26 0.438 -0.100 -4.775 1.00 0.00 C ATOM 1108 C LEU B 26 -0.007 -1.138 -5.783 1.00 0.00 C ATOM 1109 O LEU B 26 -0.720 -0.815 -6.730 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.786 0.395 -4.008 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.516 1.429 -2.924 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.646 1.432 -1.912 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.807 1.163 -2.238 1.00 0.00 C ATOM 0 H LEU B 26 0.506 1.621 -5.969 1.00 0.00 H new ATOM 0 HA LEU B 26 1.140 -0.530 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.491 0.821 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.276 -0.464 -3.550 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.460 2.411 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.442 2.175 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.583 1.676 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.726 0.446 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.976 1.916 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.787 0.174 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.612 1.207 -2.971 1.00 0.00 H new ATOM 1125 N MET B 27 0.411 -2.371 -5.594 1.00 0.00 N ATOM 1126 CA MET B 27 0.032 -3.431 -6.503 1.00 0.00 C ATOM 1127 C MET B 27 -0.971 -4.362 -5.853 1.00 0.00 C ATOM 1128 O MET B 27 -1.113 -4.383 -4.632 1.00 0.00 O ATOM 1129 CB MET B 27 1.236 -4.229 -6.973 1.00 0.00 C ATOM 1130 CG MET B 27 2.282 -3.406 -7.690 1.00 0.00 C ATOM 1131 SD MET B 27 3.474 -2.659 -6.574 1.00 0.00 S ATOM 1132 CE MET B 27 4.280 -1.551 -7.714 1.00 0.00 C ATOM 0 H MET B 27 1.011 -2.663 -4.823 1.00 0.00 H new ATOM 0 HA MET B 27 -0.424 -2.958 -7.372 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.697 -4.712 -6.111 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.895 -5.022 -7.638 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.808 -4.040 -8.404 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.789 -2.621 -8.264 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.998 -0.933 -7.175 1.00 0.00 H new ATOM 0 HE2 MET B 27 4.800 -2.130 -8.477 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.535 -0.912 -8.188 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.633 -5.154 -6.684 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.658 -6.089 -6.236 1.00 0.00 C ATOM 1144 C ALA B 28 -2.183 -7.031 -5.127 1.00 0.00 C ATOM 1145 O ALA B 28 -2.987 -7.474 -4.303 1.00 0.00 O ATOM 1146 CB ALA B 28 -3.164 -6.900 -7.419 1.00 0.00 C ATOM 0 H ALA B 28 -1.475 -5.167 -7.692 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.462 -5.489 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.930 -7.598 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.589 -6.229 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.336 -7.456 -7.860 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.890 -7.340 -5.095 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.371 -8.262 -4.090 1.00 0.00 C ATOM 1154 C GLU B 29 0.681 -7.629 -3.172 1.00 0.00 C ATOM 1155 O GLU B 29 1.045 -8.222 -2.147 1.00 0.00 O ATOM 1156 CB GLU B 29 0.242 -9.493 -4.769 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.405 -9.881 -6.094 1.00 0.00 C ATOM 1158 CD GLU B 29 -1.814 -10.423 -5.953 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -2.531 -10.470 -6.973 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -2.211 -10.798 -4.833 1.00 0.00 O ATOM 0 H GLU B 29 -0.192 -6.973 -5.742 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.222 -8.544 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.302 -9.306 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.173 -10.339 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.425 -9.008 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.215 -10.631 -6.584 1.00 0.00 H new ATOM 1167 N ARG B 30 1.146 -6.422 -3.480 1.00 0.00 N ATOM 1168 CA ARG B 30 2.193 -5.822 -2.653 1.00 0.00 C ATOM 1169 C ARG B 30 2.282 -4.315 -2.813 1.00 0.00 C ATOM 1170 O ARG B 30 1.680 -3.731 -3.706 1.00 0.00 O ATOM 1171 CB ARG B 30 3.556 -6.435 -3.010 1.00 0.00 C ATOM 1172 CG ARG B 30 4.299 -5.691 -4.117 1.00 0.00 C ATOM 1173 CD ARG B 30 5.673 -6.288 -4.372 1.00 0.00 C ATOM 1174 NE ARG B 30 5.586 -7.555 -5.088 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.318 -8.630 -4.814 1.00 0.00 C ATOM 1176 NH1 ARG B 30 7.291 -8.569 -3.910 1.00 0.00 N ATOM 1177 NH2 ARG B 30 6.094 -9.760 -5.475 1.00 0.00 N ATOM 0 H ARG B 30 0.830 -5.855 -4.267 1.00 0.00 H new ATOM 0 HA ARG B 30 1.929 -6.033 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.180 -6.454 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.408 -7.470 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.712 -5.724 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.404 -4.641 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.274 -5.585 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.185 -6.441 -3.422 1.00 0.00 H new ATOM 0 HE ARG B 30 4.916 -7.621 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.479 -7.693 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.849 -9.398 -3.705 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.365 -9.798 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.651 -10.589 -5.271 1.00 0.00 H new ATOM 1191 N ILE B 31 3.050 -3.705 -1.925 1.00 0.00 N ATOM 1192 CA ILE B 31 3.300 -2.280 -1.957 1.00 0.00 C ATOM 1193 C ILE B 31 4.779 -2.076 -2.254 1.00 0.00 C ATOM 1194 O ILE B 31 5.641 -2.649 -1.579 1.00 0.00 O ATOM 1195 CB ILE B 31 2.916 -1.584 -0.625 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.498 -0.167 -0.563 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.386 -2.404 0.567 1.00 0.00 C ATOM 1198 CD1 ILE B 31 3.002 0.644 0.614 1.00 0.00 C ATOM 0 H ILE B 31 3.518 -4.190 -1.159 1.00 0.00 H new ATOM 0 HA ILE B 31 2.679 -1.827 -2.730 1.00 0.00 H new ATOM 0 HB ILE B 31 1.829 -1.510 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.585 -0.232 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.250 0.359 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.106 -1.897 1.490 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.920 -3.389 0.538 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.470 -2.515 0.528 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.457 1.634 0.591 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.918 0.741 0.558 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.273 0.141 1.542 1.00 0.00 H new ATOM 1210 N ALA B 32 5.087 -1.299 -3.275 1.00 0.00 N ATOM 1211 CA ALA B 32 6.472 -1.082 -3.638 1.00 0.00 C ATOM 1212 C ALA B 32 6.776 0.384 -3.893 1.00 0.00 C ATOM 1213 O ALA B 32 5.949 1.129 -4.421 1.00 0.00 O ATOM 1214 CB ALA B 32 6.829 -1.924 -4.850 1.00 0.00 C ATOM 0 H ALA B 32 4.407 -0.814 -3.860 1.00 0.00 H new ATOM 0 HA ALA B 32 7.088 -1.390 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.872 -1.755 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.680 -2.978 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.191 -1.644 -5.688 1.00 0.00 H new ATOM 1220 N TRP B 33 7.974 0.783 -3.516 1.00 0.00 N ATOM 1221 CA TRP B 33 8.421 2.150 -3.694 1.00 0.00 C ATOM 1222 C TRP B 33 9.636 2.176 -4.610 1.00 0.00 C ATOM 1223 O TRP B 33 10.557 1.367 -4.457 1.00 0.00 O ATOM 1224 CB TRP B 33 8.757 2.779 -2.336 1.00 0.00 C ATOM 1225 CG TRP B 33 9.347 4.153 -2.437 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.669 5.337 -2.466 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.738 4.486 -2.525 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.552 6.383 -2.574 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.827 5.885 -2.612 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.916 3.734 -2.541 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 12.044 6.547 -2.715 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.125 4.394 -2.643 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.180 5.788 -2.730 1.00 0.00 C ATOM 0 H TRP B 33 8.663 0.171 -3.079 1.00 0.00 H new ATOM 0 HA TRP B 33 7.621 2.732 -4.152 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.850 2.826 -1.733 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.457 2.131 -1.809 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.595 5.437 -2.412 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.299 7.370 -2.619 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.882 2.657 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 12.091 7.624 -2.781 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.042 3.824 -2.656 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.140 6.275 -2.811 1.00 0.00 H new ATOM 1244 N ALA B 34 9.627 3.092 -5.560 1.00 0.00 N ATOM 1245 CA ALA B 34 10.723 3.230 -6.501 1.00 0.00 C ATOM 1246 C ALA B 34 11.047 4.696 -6.713 1.00 0.00 C ATOM 1247 O ALA B 34 10.142 5.509 -6.890 1.00 0.00 O ATOM 1248 CB ALA B 34 10.371 2.574 -7.827 1.00 0.00 C ATOM 0 H ALA B 34 8.866 3.757 -5.701 1.00 0.00 H new ATOM 0 HA ALA B 34 11.600 2.731 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.204 2.687 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.173 1.514 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.484 3.050 -8.244 1.00 0.00 H new ATOM 1254 N PRO B 35 12.335 5.062 -6.683 1.00 0.00 N ATOM 1255 CA PRO B 35 12.756 6.447 -6.892 1.00 0.00 C ATOM 1256 C PRO B 35 12.290 6.950 -8.257 1.00 0.00 C ATOM 1257 O PRO B 35 12.385 6.229 -9.253 1.00 0.00 O ATOM 1258 CB PRO B 35 14.287 6.381 -6.826 1.00 0.00 C ATOM 1259 CG PRO B 35 14.593 5.107 -6.114 1.00 0.00 C ATOM 1260 CD PRO B 35 13.475 4.162 -6.451 1.00 0.00 C ATOM 0 HA PRO B 35 12.335 7.133 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.725 6.389 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.695 7.239 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.554 4.703 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.656 5.268 -5.038 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.704 3.566 -7.334 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.278 3.464 -5.637 1.00 0.00 H new ATOM 1368 N THR B 42 12.798 -0.446 -5.294 1.00 0.00 N ATOM 1369 CA THR B 42 13.800 -0.867 -4.328 1.00 0.00 C ATOM 1370 C THR B 42 13.131 -1.443 -3.084 1.00 0.00 C ATOM 1371 O THR B 42 13.605 -2.413 -2.496 1.00 0.00 O ATOM 1372 CB THR B 42 14.706 0.311 -3.935 1.00 0.00 C ATOM 1373 OG1 THR B 42 13.969 1.539 -4.029 1.00 0.00 O ATOM 1374 CG2 THR B 42 15.931 0.378 -4.834 1.00 0.00 C ATOM 0 HA THR B 42 14.413 -1.640 -4.792 1.00 0.00 H new ATOM 0 HB THR B 42 15.041 0.161 -2.909 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.174 1.402 -4.585 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.556 1.220 -4.535 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.500 -0.547 -4.743 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.616 0.509 -5.869 1.00 0.00 H new ATOM 1382 N ILE B 43 12.021 -0.833 -2.692 1.00 0.00 N ATOM 1383 CA ILE B 43 11.270 -1.285 -1.534 1.00 0.00 C ATOM 1384 C ILE B 43 10.132 -2.185 -1.991 1.00 0.00 C ATOM 1385 O ILE B 43 9.254 -1.749 -2.730 1.00 0.00 O ATOM 1386 CB ILE B 43 10.696 -0.098 -0.725 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.830 0.774 -0.170 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.801 -0.595 0.404 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.698 0.071 0.854 1.00 0.00 C ATOM 0 H ILE B 43 11.621 -0.021 -3.162 1.00 0.00 H new ATOM 0 HA ILE B 43 11.951 -1.835 -0.884 1.00 0.00 H new ATOM 0 HB ILE B 43 10.090 0.510 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.457 1.107 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.400 1.667 0.284 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.409 0.257 0.959 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.973 -1.168 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.380 -1.230 1.075 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.477 0.751 1.199 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.085 -0.238 1.700 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.158 -0.807 0.400 1.00 0.00 H new ATOM 1401 N SER B 44 10.157 -3.438 -1.565 1.00 0.00 N ATOM 1402 CA SER B 44 9.129 -4.390 -1.949 1.00 0.00 C ATOM 1403 C SER B 44 8.564 -5.095 -0.722 1.00 0.00 C ATOM 1404 O SER B 44 9.266 -5.855 -0.056 1.00 0.00 O ATOM 1405 CB SER B 44 9.714 -5.416 -2.924 1.00 0.00 C ATOM 1406 OG SER B 44 8.697 -6.058 -3.674 1.00 0.00 O ATOM 0 H SER B 44 10.879 -3.819 -0.953 1.00 0.00 H new ATOM 0 HA SER B 44 8.317 -3.851 -2.438 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.409 -4.920 -3.601 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.285 -6.161 -2.370 1.00 0.00 H new ATOM 0 HG SER B 44 9.102 -6.705 -4.288 1.00 0.00 H new ATOM 1412 N HIS B 45 7.302 -4.827 -0.416 1.00 0.00 N ATOM 1413 CA HIS B 45 6.641 -5.450 0.725 1.00 0.00 C ATOM 1414 C HIS B 45 5.308 -6.027 0.312 1.00 0.00 C ATOM 1415 O HIS B 45 4.463 -5.325 -0.240 1.00 0.00 O ATOM 1416 CB HIS B 45 6.422 -4.443 1.857 1.00 0.00 C ATOM 1417 CG HIS B 45 7.657 -4.114 2.636 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.371 -5.032 3.373 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.295 -2.931 2.794 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.396 -4.390 3.946 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.398 -3.111 3.624 1.00 0.00 N ATOM 0 H HIS B 45 6.714 -4.181 -0.942 1.00 0.00 H new ATOM 0 HA HIS B 45 7.291 -6.248 1.084 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.016 -3.523 1.436 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.671 -4.839 2.540 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.157 -6.025 3.466 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.996 -1.995 2.347 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.127 -4.858 4.589 1.00 0.00 H new ATOM 1429 N MET B 46 5.122 -7.306 0.565 1.00 0.00 N ATOM 1430 CA MET B 46 3.873 -7.954 0.238 1.00 0.00 C ATOM 1431 C MET B 46 2.916 -7.724 1.386 1.00 0.00 C ATOM 1432 O MET B 46 3.341 -7.569 2.530 1.00 0.00 O ATOM 1433 CB MET B 46 4.064 -9.458 0.016 1.00 0.00 C ATOM 1434 CG MET B 46 4.958 -9.805 -1.162 1.00 0.00 C ATOM 1435 SD MET B 46 4.039 -9.967 -2.708 1.00 0.00 S ATOM 1436 CE MET B 46 2.936 -11.320 -2.304 1.00 0.00 C ATOM 0 H MET B 46 5.819 -7.914 0.995 1.00 0.00 H new ATOM 0 HA MET B 46 3.480 -7.534 -0.688 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.487 -9.897 0.920 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.088 -9.918 -0.135 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.719 -9.033 -1.275 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.480 -10.739 -0.954 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.733 -11.904 -3.202 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.403 -11.958 -1.554 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.001 -10.922 -1.911 1.00 0.00 H new ATOM 1446 N TYR B 47 1.634 -7.683 1.096 1.00 0.00 N ATOM 1447 CA TYR B 47 0.645 -7.472 2.150 1.00 0.00 C ATOM 1448 C TYR B 47 0.657 -8.644 3.125 1.00 0.00 C ATOM 1449 O TYR B 47 0.241 -8.514 4.274 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.750 -7.271 1.563 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.806 -6.145 0.556 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.316 -4.886 0.874 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.334 -6.339 -0.711 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.350 -3.854 -0.041 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.374 -5.311 -1.631 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.879 -4.070 -1.290 1.00 0.00 C ATOM 1457 OH TYR B 47 -0.909 -3.046 -2.206 1.00 0.00 O ATOM 0 H TYR B 47 1.248 -7.790 0.158 1.00 0.00 H new ATOM 0 HA TYR B 47 0.911 -6.564 2.692 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.075 -8.196 1.086 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.453 -7.065 2.370 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.099 -4.711 1.855 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.720 -7.310 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.037 -2.881 0.224 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.791 -5.478 -2.613 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.980 -3.418 -3.110 1.00 0.00 H new ATOM 1467 N ALA B 48 1.182 -9.772 2.661 1.00 0.00 N ATOM 1468 CA ALA B 48 1.270 -10.981 3.468 1.00 0.00 C ATOM 1469 C ALA B 48 2.412 -10.895 4.477 1.00 0.00 C ATOM 1470 O ALA B 48 2.585 -11.793 5.295 1.00 0.00 O ATOM 1471 CB ALA B 48 1.450 -12.196 2.573 1.00 0.00 C ATOM 0 H ALA B 48 1.557 -9.873 1.718 1.00 0.00 H new ATOM 0 HA ALA B 48 0.338 -11.082 4.025 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.515 -13.094 3.187 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.599 -12.279 1.897 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.366 -12.087 1.992 1.00 0.00 H new ATOM 1477 N ASP B 49 3.199 -9.826 4.403 1.00 0.00 N ATOM 1478 CA ASP B 49 4.308 -9.639 5.331 1.00 0.00 C ATOM 1479 C ASP B 49 3.998 -8.484 6.273 1.00 0.00 C ATOM 1480 O ASP B 49 4.690 -8.274 7.275 1.00 0.00 O ATOM 1481 CB ASP B 49 5.627 -9.324 4.601 1.00 0.00 C ATOM 1482 CG ASP B 49 5.746 -9.927 3.211 1.00 0.00 C ATOM 1483 OD1 ASP B 49 6.160 -9.189 2.286 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.438 -11.123 3.037 1.00 0.00 O ATOM 0 H ASP B 49 3.090 -9.081 3.715 1.00 0.00 H new ATOM 0 HA ASP B 49 4.428 -10.573 5.881 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.733 -8.242 4.523 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.457 -9.682 5.210 1.00 0.00 H new ATOM 1489 N ILE B 50 2.944 -7.741 5.960 1.00 0.00 N ATOM 1490 CA ILE B 50 2.568 -6.585 6.757 1.00 0.00 C ATOM 1491 C ILE B 50 1.506 -6.952 7.794 1.00 0.00 C ATOM 1492 O ILE B 50 0.474 -7.526 7.462 1.00 0.00 O ATOM 1493 CB ILE B 50 2.037 -5.443 5.867 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.008 -5.166 4.715 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.819 -4.186 6.697 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.437 -4.270 3.638 1.00 0.00 C ATOM 0 H ILE B 50 2.336 -7.920 5.160 1.00 0.00 H new ATOM 0 HA ILE B 50 3.467 -6.245 7.272 1.00 0.00 H new ATOM 0 HB ILE B 50 1.080 -5.748 5.443 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.911 -4.706 5.116 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.305 -6.114 4.266 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.444 -3.388 6.057 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.093 -4.391 7.484 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.763 -3.878 7.146 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.182 -4.120 2.857 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.550 -4.737 3.209 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.166 -3.307 4.071 1.00 0.00 H new ATOM 1508 N LYS B 51 1.766 -6.608 9.047 1.00 0.00 N ATOM 1509 CA LYS B 51 0.844 -6.895 10.141 1.00 0.00 C ATOM 1510 C LYS B 51 -0.299 -5.883 10.151 1.00 0.00 C ATOM 1511 O LYS B 51 -1.470 -6.250 10.073 1.00 0.00 O ATOM 1512 CB LYS B 51 1.603 -6.856 11.470 1.00 0.00 C ATOM 1513 CG LYS B 51 0.827 -7.395 12.660 1.00 0.00 C ATOM 1514 CD LYS B 51 1.763 -7.791 13.796 1.00 0.00 C ATOM 1515 CE LYS B 51 2.695 -6.652 14.186 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.898 -7.141 14.915 1.00 0.00 N ATOM 0 H LYS B 51 2.617 -6.125 9.335 1.00 0.00 H new ATOM 0 HA LYS B 51 0.419 -7.889 10.001 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.524 -7.430 11.364 1.00 0.00 H new ATOM 0 HB3 LYS B 51 1.891 -5.826 11.678 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.124 -6.640 13.011 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.239 -8.259 12.352 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.175 -8.092 14.663 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.353 -8.657 13.495 1.00 0.00 H new ATOM 0 HE2 LYS B 51 3.007 -6.116 13.290 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.156 -5.941 14.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.691 -6.488 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 3.691 -7.189 15.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.153 -8.088 14.568 1.00 0.00 H new ATOM 1530 N CYS B 52 0.064 -4.615 10.233 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.893 -3.518 10.244 1.00 0.00 C ATOM 1532 C CYS B 52 -0.218 -2.288 9.666 1.00 0.00 C ATOM 1533 O CYS B 52 0.958 -2.352 9.295 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.387 -3.241 11.663 1.00 0.00 C ATOM 1535 SG CYS B 52 -0.101 -3.362 12.927 1.00 0.00 S ATOM 0 H CYS B 52 1.037 -4.314 10.294 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.762 -3.784 9.641 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.822 -2.242 11.697 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.185 -3.944 11.903 1.00 0.00 H new ATOM 0 HG CYS B 52 0.216 -2.170 13.339 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.914 -1.167 9.587 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.320 0.010 9.034 1.00 0.00 C ATOM 1543 C GLN B 53 -0.600 1.168 9.969 1.00 0.00 C ATOM 1544 O GLN B 53 -1.397 1.034 10.876 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.918 0.230 7.640 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.404 -0.070 7.596 1.00 0.00 C ATOM 1547 CD GLN B 53 -3.112 0.538 6.410 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -4.145 0.042 5.978 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -2.574 1.622 5.880 1.00 0.00 N ATOM 0 H GLN B 53 -1.879 -1.059 9.898 1.00 0.00 H new ATOM 0 HA GLN B 53 0.761 -0.083 8.931 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.749 1.262 7.334 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.400 -0.405 6.921 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.547 -1.150 7.578 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.867 0.298 8.512 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.712 2.006 6.268 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.020 2.075 5.083 1.00 0.00 H new ATOM 1558 N LYS B 54 0.122 2.254 9.809 1.00 0.00 N ATOM 1559 CA LYS B 54 -0.085 3.461 10.599 1.00 0.00 C ATOM 1560 C LYS B 54 0.177 4.632 9.686 1.00 0.00 C ATOM 1561 O LYS B 54 0.737 4.460 8.608 1.00 0.00 O ATOM 1562 CB LYS B 54 0.853 3.556 11.810 1.00 0.00 C ATOM 1563 CG LYS B 54 0.914 2.314 12.671 1.00 0.00 C ATOM 1564 CD LYS B 54 0.754 2.679 14.131 1.00 0.00 C ATOM 1565 CE LYS B 54 1.825 2.047 14.986 1.00 0.00 C ATOM 1566 NZ LYS B 54 1.641 0.579 15.126 1.00 0.00 N ATOM 0 H LYS B 54 0.875 2.332 9.125 1.00 0.00 H new ATOM 0 HA LYS B 54 -1.102 3.450 10.992 1.00 0.00 H new ATOM 0 HB2 LYS B 54 1.858 3.783 11.455 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.537 4.395 12.430 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.128 1.619 12.375 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.865 1.804 12.519 1.00 0.00 H new ATOM 0 HD2 LYS B 54 0.793 3.763 14.241 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -0.227 2.358 14.481 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.803 2.248 14.548 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.817 2.508 15.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.531 0.147 15.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.892 0.388 15.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.371 0.174 14.207 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.241 5.802 10.086 1.00 0.00 N ATOM 1581 CA ILE B 55 -0.029 6.986 9.262 1.00 0.00 C ATOM 1582 C ILE B 55 0.391 8.160 10.107 1.00 0.00 C ATOM 1583 O ILE B 55 -0.220 8.396 11.116 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.340 7.380 8.550 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.477 7.263 9.552 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.594 6.515 7.330 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.870 7.424 9.014 1.00 0.00 C ATOM 0 H ILE B 55 -0.727 5.972 10.967 1.00 0.00 H new ATOM 0 HA ILE B 55 0.750 6.744 8.539 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.265 8.406 8.190 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.408 6.287 10.032 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.324 8.012 10.329 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.526 6.821 6.854 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.771 6.630 6.624 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.668 5.471 7.633 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.588 7.319 9.827 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.974 8.411 8.563 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.060 6.659 8.261 1.00 0.00 H new ATOM 1599 N SER B 56 1.430 8.890 9.735 1.00 0.00 N ATOM 1600 CA SER B 56 1.782 10.050 10.523 1.00 0.00 C ATOM 1601 C SER B 56 0.647 11.028 10.307 1.00 0.00 C ATOM 1602 O SER B 56 0.464 11.533 9.171 1.00 0.00 O ATOM 1603 CB SER B 56 3.154 10.631 10.160 1.00 0.00 C ATOM 1604 OG SER B 56 3.111 11.393 8.980 1.00 0.00 O ATOM 0 H SER B 56 2.022 8.708 8.924 1.00 0.00 H new ATOM 0 HA SER B 56 1.894 9.796 11.577 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.512 11.254 10.980 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.871 9.819 10.040 1.00 0.00 H new ATOM 0 HG SER B 56 3.800 12.089 9.015 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.149 11.219 11.394 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.375 12.025 11.430 1.00 0.00 C ATOM 1612 C PRO B 57 -1.176 13.479 11.036 1.00 0.00 C ATOM 1613 O PRO B 57 -0.045 13.958 10.898 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.810 11.972 12.901 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.586 11.600 13.645 1.00 0.00 C ATOM 1616 CD PRO B 57 0.150 10.682 12.732 1.00 0.00 C ATOM 0 HA PRO B 57 -2.098 11.630 10.716 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.198 12.935 13.234 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.603 11.240 13.053 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.011 12.479 13.888 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.830 11.109 14.587 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.221 10.685 12.936 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.191 9.652 12.837 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.289 14.167 10.838 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.265 15.577 10.508 1.00 0.00 C ATOM 1626 C GLU B 58 -1.590 16.325 11.654 1.00 0.00 C ATOM 1627 O GLU B 58 -1.759 15.973 12.821 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.683 16.128 10.272 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.782 15.069 10.207 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.587 14.070 9.081 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.264 12.899 9.380 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.734 14.451 7.908 1.00 0.00 O ATOM 0 H GLU B 58 -3.225 13.766 10.901 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.709 15.718 9.581 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -3.922 16.830 11.071 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.687 16.693 9.340 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.818 14.534 11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.746 15.563 10.083 1.00 0.00 H new ATOM 1639 N GLY B 59 -0.850 17.361 11.324 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.132 18.112 12.333 1.00 0.00 C ATOM 1641 C GLY B 59 1.360 17.966 12.137 1.00 0.00 C ATOM 1642 O GLY B 59 2.123 18.891 12.412 1.00 0.00 O ATOM 0 H GLY B 59 -0.729 17.702 10.370 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.411 19.164 12.279 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.411 17.759 13.326 1.00 0.00 H new ATOM 1646 N LYS B 60 1.779 16.800 11.655 1.00 0.00 N ATOM 1647 CA LYS B 60 3.182 16.578 11.351 1.00 0.00 C ATOM 1648 C LYS B 60 3.498 17.327 10.067 1.00 0.00 C ATOM 1649 O LYS B 60 2.667 17.378 9.159 1.00 0.00 O ATOM 1650 CB LYS B 60 3.510 15.085 11.162 1.00 0.00 C ATOM 1651 CG LYS B 60 3.951 14.345 12.424 1.00 0.00 C ATOM 1652 CD LYS B 60 4.715 13.075 12.056 1.00 0.00 C ATOM 1653 CE LYS B 60 5.540 12.521 13.209 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.597 13.450 13.681 1.00 0.00 N ATOM 0 H LYS B 60 1.171 16.003 11.469 1.00 0.00 H new ATOM 0 HA LYS B 60 3.783 16.935 12.187 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.630 14.586 10.758 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.299 14.996 10.415 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.582 14.993 13.032 1.00 0.00 H new ATOM 0 HG3 LYS B 60 3.080 14.091 13.028 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.007 12.315 11.725 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.374 13.285 11.213 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.876 12.286 14.041 1.00 0.00 H new ATOM 0 HE3 LYS B 60 6.003 11.585 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.131 13.004 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 7.243 13.669 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 6.159 14.329 14.024 1.00 0.00 H new ATOM 1668 N ALA B 61 4.680 17.914 9.985 1.00 0.00 N ATOM 1669 CA ALA B 61 5.072 18.654 8.792 1.00 0.00 C ATOM 1670 C ALA B 61 5.289 17.702 7.624 1.00 0.00 C ATOM 1671 O ALA B 61 5.401 18.120 6.474 1.00 0.00 O ATOM 1672 CB ALA B 61 6.328 19.470 9.061 1.00 0.00 C ATOM 0 H ALA B 61 5.383 17.895 10.724 1.00 0.00 H new ATOM 0 HA ALA B 61 4.267 19.341 8.530 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.607 20.016 8.160 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.137 20.176 9.869 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.141 18.803 9.347 1.00 0.00 H new ATOM 1678 N LYS B 62 5.334 16.418 7.939 1.00 0.00 N ATOM 1679 CA LYS B 62 5.533 15.388 6.943 1.00 0.00 C ATOM 1680 C LYS B 62 4.468 14.304 7.084 1.00 0.00 C ATOM 1681 O LYS B 62 4.524 13.480 7.999 1.00 0.00 O ATOM 1682 CB LYS B 62 6.938 14.791 7.087 1.00 0.00 C ATOM 1683 CG LYS B 62 8.048 15.802 6.824 1.00 0.00 C ATOM 1684 CD LYS B 62 9.420 15.269 7.212 1.00 0.00 C ATOM 1685 CE LYS B 62 9.738 13.963 6.503 1.00 0.00 C ATOM 1686 NZ LYS B 62 11.186 13.827 6.208 1.00 0.00 N ATOM 0 H LYS B 62 5.234 16.065 8.891 1.00 0.00 H new ATOM 0 HA LYS B 62 5.441 15.828 5.950 1.00 0.00 H new ATOM 0 HB2 LYS B 62 7.053 14.388 8.093 1.00 0.00 H new ATOM 0 HB3 LYS B 62 7.044 13.956 6.395 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.050 16.069 5.767 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.844 16.715 7.383 1.00 0.00 H new ATOM 0 HD2 LYS B 62 10.181 16.010 6.967 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.459 15.116 8.291 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.414 13.126 7.122 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.172 13.909 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.358 12.923 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.491 14.610 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.725 13.853 7.097 1.00 0.00 H new ATOM 1700 N ILE B 63 3.477 14.344 6.200 1.00 0.00 N ATOM 1701 CA ILE B 63 2.396 13.359 6.195 1.00 0.00 C ATOM 1702 C ILE B 63 2.955 12.039 5.685 1.00 0.00 C ATOM 1703 O ILE B 63 3.425 11.967 4.548 1.00 0.00 O ATOM 1704 CB ILE B 63 1.232 13.826 5.300 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.781 15.225 5.722 1.00 0.00 C ATOM 1706 CG2 ILE B 63 0.073 12.847 5.373 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.378 16.109 4.562 1.00 0.00 C ATOM 0 H ILE B 63 3.398 15.053 5.471 1.00 0.00 H new ATOM 0 HA ILE B 63 2.007 13.238 7.206 1.00 0.00 H new ATOM 0 HB ILE B 63 1.577 13.863 4.267 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.061 15.134 6.408 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.589 15.708 6.272 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -0.738 13.195 4.734 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.404 11.865 5.036 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.280 12.777 6.402 1.00 0.00 H new ATOM 0 HD11 ILE B 63 0.070 17.085 4.938 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.225 16.231 3.886 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.451 15.649 4.025 1.00 0.00 H new ATOM 1719 N GLN B 64 2.916 10.986 6.500 1.00 0.00 N ATOM 1720 CA GLN B 64 3.537 9.730 6.070 1.00 0.00 C ATOM 1721 C GLN B 64 2.733 8.492 6.435 1.00 0.00 C ATOM 1722 O GLN B 64 1.749 8.559 7.162 1.00 0.00 O ATOM 1723 CB GLN B 64 4.935 9.605 6.693 1.00 0.00 C ATOM 1724 CG GLN B 64 5.848 10.795 6.433 1.00 0.00 C ATOM 1725 CD GLN B 64 7.144 10.729 7.221 1.00 0.00 C ATOM 1726 OE1 GLN B 64 8.187 11.183 6.763 1.00 0.00 O ATOM 1727 NE2 GLN B 64 7.084 10.171 8.414 1.00 0.00 N ATOM 0 H GLN B 64 2.482 10.971 7.423 1.00 0.00 H new ATOM 0 HA GLN B 64 3.586 9.775 4.982 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.829 9.472 7.770 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.413 8.705 6.306 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.078 10.844 5.369 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.320 11.714 6.688 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.198 9.804 8.762 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.924 10.106 8.989 1.00 0.00 H new ATOM 1736 N LEU B 65 3.157 7.366 5.874 1.00 0.00 N ATOM 1737 CA LEU B 65 2.551 6.075 6.152 1.00 0.00 C ATOM 1738 C LEU B 65 3.608 5.156 6.753 1.00 0.00 C ATOM 1739 O LEU B 65 4.775 5.211 6.363 1.00 0.00 O ATOM 1740 CB LEU B 65 2.001 5.425 4.884 1.00 0.00 C ATOM 1741 CG LEU B 65 1.194 4.145 5.129 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.279 4.448 5.308 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.397 3.147 4.014 1.00 0.00 C ATOM 0 H LEU B 65 3.932 7.325 5.213 1.00 0.00 H new ATOM 0 HA LEU B 65 1.723 6.229 6.844 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.368 6.146 4.366 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.833 5.194 4.218 1.00 0.00 H new ATOM 0 HG LEU B 65 1.564 3.701 6.054 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.823 3.519 5.480 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.413 5.111 6.163 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.663 4.932 4.410 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.812 2.250 4.217 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.073 3.585 3.070 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.453 2.884 3.949 1.00 0.00 H new ATOM 1755 N GLN B 66 3.201 4.329 7.698 1.00 0.00 N ATOM 1756 CA GLN B 66 4.104 3.397 8.347 1.00 0.00 C ATOM 1757 C GLN B 66 3.590 1.973 8.205 1.00 0.00 C ATOM 1758 O GLN B 66 2.469 1.667 8.609 1.00 0.00 O ATOM 1759 CB GLN B 66 4.238 3.749 9.824 1.00 0.00 C ATOM 1760 CG GLN B 66 5.305 2.954 10.552 1.00 0.00 C ATOM 1761 CD GLN B 66 5.625 3.530 11.915 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.004 3.172 12.918 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.593 4.430 11.956 1.00 0.00 N ATOM 0 H GLN B 66 2.240 4.284 8.036 1.00 0.00 H new ATOM 0 HA GLN B 66 5.080 3.468 7.868 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.465 4.811 9.915 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.279 3.585 10.315 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.971 1.923 10.666 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.212 2.931 9.948 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.079 4.695 11.100 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.853 4.859 12.844 1.00 0.00 H new ATOM 1772 N LEU B 67 4.396 1.116 7.613 1.00 0.00 N ATOM 1773 CA LEU B 67 4.024 -0.278 7.438 1.00 0.00 C ATOM 1774 C LEU B 67 4.632 -1.132 8.534 1.00 0.00 C ATOM 1775 O LEU B 67 5.839 -1.356 8.544 1.00 0.00 O ATOM 1776 CB LEU B 67 4.498 -0.799 6.084 1.00 0.00 C ATOM 1777 CG LEU B 67 3.727 -0.287 4.876 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.267 -0.929 3.613 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.242 -0.573 5.029 1.00 0.00 C ATOM 0 H LEU B 67 5.315 1.358 7.243 1.00 0.00 H new ATOM 0 HA LEU B 67 2.937 -0.339 7.488 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.548 -0.535 5.961 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.442 -1.888 6.094 1.00 0.00 H new ATOM 0 HG LEU B 67 3.857 0.793 4.806 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.712 -0.559 2.751 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.322 -0.679 3.500 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.156 -2.011 3.679 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.708 -0.199 4.155 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.086 -1.648 5.118 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.866 -0.077 5.924 1.00 0.00 H new ATOM 1791 N VAL B 68 3.810 -1.595 9.462 1.00 0.00 N ATOM 1792 CA VAL B 68 4.305 -2.441 10.532 1.00 0.00 C ATOM 1793 C VAL B 68 4.206 -3.891 10.108 1.00 0.00 C ATOM 1794 O VAL B 68 3.114 -4.452 10.018 1.00 0.00 O ATOM 1795 CB VAL B 68 3.552 -2.232 11.860 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.088 -3.168 12.932 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.683 -0.795 12.315 1.00 0.00 C ATOM 0 H VAL B 68 2.809 -1.402 9.495 1.00 0.00 H new ATOM 0 HA VAL B 68 5.344 -2.164 10.713 1.00 0.00 H new ATOM 0 HB VAL B 68 2.498 -2.458 11.697 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.544 -3.005 13.862 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.957 -4.201 12.611 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.148 -2.969 13.092 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.147 -0.660 13.254 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.736 -0.554 12.461 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.261 -0.134 11.558 1.00 0.00 H new ATOM 1807 N LEU B 69 5.349 -4.489 9.834 1.00 0.00 N ATOM 1808 CA LEU B 69 5.399 -5.866 9.391 1.00 0.00 C ATOM 1809 C LEU B 69 5.053 -6.824 10.532 1.00 0.00 C ATOM 1810 O LEU B 69 4.927 -6.412 11.690 1.00 0.00 O ATOM 1811 CB LEU B 69 6.763 -6.190 8.791 1.00 0.00 C ATOM 1812 CG LEU B 69 7.185 -5.331 7.592 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.077 -6.134 6.671 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.990 -4.781 6.830 1.00 0.00 C ATOM 0 H LEU B 69 6.261 -4.038 9.912 1.00 0.00 H new ATOM 0 HA LEU B 69 4.649 -5.999 8.611 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.516 -6.086 9.572 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.765 -7.236 8.484 1.00 0.00 H new ATOM 0 HG LEU B 69 7.739 -4.475 7.978 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.373 -5.518 5.822 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.966 -6.454 7.214 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.536 -7.010 6.313 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.339 -4.180 5.991 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.384 -5.607 6.458 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.388 -4.161 7.495 1.00 0.00 H new ATOM 1826 N HIS B 70 4.901 -8.097 10.198 1.00 0.00 N ATOM 1827 CA HIS B 70 4.525 -9.125 11.169 1.00 0.00 C ATOM 1828 C HIS B 70 5.458 -9.199 12.377 1.00 0.00 C ATOM 1829 O HIS B 70 4.986 -9.212 13.516 1.00 0.00 O ATOM 1830 CB HIS B 70 4.441 -10.491 10.492 1.00 0.00 C ATOM 1831 CG HIS B 70 3.257 -10.626 9.589 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.044 -10.013 9.813 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.116 -11.313 8.431 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.225 -10.340 8.806 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.827 -11.127 7.946 1.00 0.00 N ATOM 0 H HIS B 70 5.033 -8.450 9.250 1.00 0.00 H new ATOM 0 HA HIS B 70 3.546 -8.835 11.550 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.351 -10.661 9.916 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.398 -11.267 11.256 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.883 -11.910 7.960 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.204 -10.001 8.714 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.429 -11.522 7.094 1.00 0.00 H new ATOM 1843 N ALA B 71 6.762 -9.219 12.143 1.00 0.00 N ATOM 1844 CA ALA B 71 7.729 -9.317 13.236 1.00 0.00 C ATOM 1845 C ALA B 71 7.773 -8.039 14.068 1.00 0.00 C ATOM 1846 O ALA B 71 8.127 -8.062 15.245 1.00 0.00 O ATOM 1847 CB ALA B 71 9.111 -9.645 12.690 1.00 0.00 C ATOM 0 H ALA B 71 7.177 -9.169 11.213 1.00 0.00 H new ATOM 0 HA ALA B 71 7.406 -10.124 13.893 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.821 -9.715 13.514 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.076 -10.597 12.159 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.427 -8.859 12.005 1.00 0.00 H new ATOM 1853 N GLY B 72 7.367 -6.937 13.463 1.00 0.00 N ATOM 1854 CA GLY B 72 7.388 -5.657 14.145 1.00 0.00 C ATOM 1855 C GLY B 72 8.287 -4.690 13.419 1.00 0.00 C ATOM 1856 O GLY B 72 8.832 -3.753 14.002 1.00 0.00 O ATOM 0 H GLY B 72 7.020 -6.903 12.504 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.378 -5.252 14.202 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.737 -5.789 15.169 1.00 0.00 H new ATOM 1860 N ASP B 73 8.410 -4.928 12.129 1.00 0.00 N ATOM 1861 CA ASP B 73 9.235 -4.129 11.248 1.00 0.00 C ATOM 1862 C ASP B 73 8.433 -2.926 10.815 1.00 0.00 C ATOM 1863 O ASP B 73 7.211 -2.938 10.935 1.00 0.00 O ATOM 1864 CB ASP B 73 9.642 -4.958 10.024 1.00 0.00 C ATOM 1865 CG ASP B 73 9.903 -6.417 10.359 1.00 0.00 C ATOM 1866 OD1 ASP B 73 11.077 -6.830 10.340 1.00 0.00 O ATOM 1867 OD2 ASP B 73 8.921 -7.150 10.639 1.00 0.00 O ATOM 0 H ASP B 73 7.931 -5.695 11.656 1.00 0.00 H new ATOM 0 HA ASP B 73 10.140 -3.809 11.764 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.855 -4.898 9.273 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.539 -4.526 9.581 1.00 0.00 H new ATOM 1872 N THR B 74 9.080 -1.893 10.317 1.00 0.00 N ATOM 1873 CA THR B 74 8.348 -0.715 9.902 1.00 0.00 C ATOM 1874 C THR B 74 8.990 -0.018 8.709 1.00 0.00 C ATOM 1875 O THR B 74 10.199 0.213 8.680 1.00 0.00 O ATOM 1876 CB THR B 74 8.220 0.290 11.062 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.407 0.261 11.864 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.018 -0.023 11.935 1.00 0.00 C ATOM 0 H THR B 74 10.091 -1.844 10.191 1.00 0.00 H new ATOM 0 HA THR B 74 7.359 -1.062 9.601 1.00 0.00 H new ATOM 0 HB THR B 74 8.085 1.282 10.631 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.321 0.903 12.599 1.00 0.00 H new ATOM 0 HG21 THR B 74 6.957 0.705 12.744 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.110 0.025 11.334 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.124 -1.024 12.354 1.00 0.00 H new ATOM 1886 N THR B 75 8.168 0.288 7.720 1.00 0.00 N ATOM 1887 CA THR B 75 8.611 0.988 6.530 1.00 0.00 C ATOM 1888 C THR B 75 7.909 2.340 6.464 1.00 0.00 C ATOM 1889 O THR B 75 6.677 2.400 6.473 1.00 0.00 O ATOM 1890 CB THR B 75 8.299 0.177 5.261 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.320 -1.227 5.564 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.311 0.480 4.165 1.00 0.00 C ATOM 0 H THR B 75 7.174 0.057 7.721 1.00 0.00 H new ATOM 0 HA THR B 75 9.691 1.126 6.583 1.00 0.00 H new ATOM 0 HB THR B 75 7.308 0.459 4.906 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.850 -1.700 4.889 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.071 -0.104 3.277 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.276 1.542 3.921 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.311 0.220 4.511 1.00 0.00 H new ATOM 1900 N ASN B 76 8.681 3.417 6.416 1.00 0.00 N ATOM 1901 CA ASN B 76 8.109 4.758 6.388 1.00 0.00 C ATOM 1902 C ASN B 76 8.140 5.367 4.997 1.00 0.00 C ATOM 1903 O ASN B 76 9.167 5.352 4.323 1.00 0.00 O ATOM 1904 CB ASN B 76 8.852 5.679 7.355 1.00 0.00 C ATOM 1905 CG ASN B 76 8.256 5.665 8.746 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.100 5.292 8.940 1.00 0.00 O ATOM 1907 ND2 ASN B 76 9.037 6.077 9.724 1.00 0.00 N ATOM 0 H ASN B 76 9.700 3.390 6.396 1.00 0.00 H new ATOM 0 HA ASN B 76 7.067 4.661 6.694 1.00 0.00 H new ATOM 0 HB2 ASN B 76 9.898 5.376 7.409 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.835 6.697 6.967 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.688 6.094 10.682 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.990 6.379 9.523 1.00 0.00 H new ATOM 1914 N PHE B 77 7.007 5.907 4.579 1.00 0.00 N ATOM 1915 CA PHE B 77 6.891 6.546 3.277 1.00 0.00 C ATOM 1916 C PHE B 77 6.394 7.977 3.445 1.00 0.00 C ATOM 1917 O PHE B 77 5.251 8.197 3.846 1.00 0.00 O ATOM 1918 CB PHE B 77 5.938 5.760 2.375 1.00 0.00 C ATOM 1919 CG PHE B 77 6.397 4.360 2.096 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.540 4.130 1.348 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.689 3.273 2.582 1.00 0.00 C ATOM 1922 CE1 PHE B 77 7.968 2.844 1.090 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.112 1.984 2.326 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.253 1.769 1.579 1.00 0.00 C ATOM 0 H PHE B 77 6.147 5.916 5.128 1.00 0.00 H new ATOM 0 HA PHE B 77 7.874 6.562 2.807 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.954 5.725 2.842 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.823 6.291 1.430 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.103 4.967 0.962 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.796 3.436 3.168 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.861 2.678 0.506 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.551 1.145 2.710 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.586 0.761 1.378 1.00 0.00 H new ATOM 1934 N HIS B 78 7.257 8.938 3.151 1.00 0.00 N ATOM 1935 CA HIS B 78 6.910 10.348 3.279 1.00 0.00 C ATOM 1936 C HIS B 78 6.249 10.866 2.011 1.00 0.00 C ATOM 1937 O HIS B 78 6.847 10.860 0.940 1.00 0.00 O ATOM 1938 CB HIS B 78 8.165 11.178 3.593 1.00 0.00 C ATOM 1939 CG HIS B 78 7.954 12.668 3.566 1.00 0.00 C ATOM 1940 ND1 HIS B 78 8.946 13.574 3.268 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.834 13.403 3.791 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.413 14.802 3.316 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.132 14.752 3.629 1.00 0.00 N ATOM 0 H HIS B 78 8.207 8.767 2.821 1.00 0.00 H new ATOM 0 HA HIS B 78 6.200 10.447 4.100 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.535 10.894 4.578 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.943 10.921 2.874 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.866 13.003 4.054 1.00 0.00 H new ATOM 0 HE1 HIS B 78 8.960 15.713 3.124 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.492 15.540 3.731 1.00 0.00 H new ATOM 1951 N PHE B 79 5.019 11.326 2.146 1.00 0.00 N ATOM 1952 CA PHE B 79 4.284 11.872 1.022 1.00 0.00 C ATOM 1953 C PHE B 79 4.621 13.349 0.877 1.00 0.00 C ATOM 1954 O PHE B 79 3.916 14.217 1.384 1.00 0.00 O ATOM 1955 CB PHE B 79 2.783 11.666 1.220 1.00 0.00 C ATOM 1956 CG PHE B 79 2.389 10.215 1.267 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.927 9.575 0.131 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.489 9.493 2.445 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.568 8.241 0.169 1.00 0.00 C ATOM 1960 CE2 PHE B 79 2.132 8.160 2.489 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.671 7.533 1.349 1.00 0.00 C ATOM 0 H PHE B 79 4.506 11.332 3.028 1.00 0.00 H new ATOM 0 HA PHE B 79 4.571 11.353 0.107 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.475 12.150 2.146 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.245 12.157 0.409 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.846 10.124 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.850 9.978 3.339 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.207 7.753 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE B 79 2.213 7.609 3.414 1.00 0.00 H new ATOM 0 HZ PHE B 79 1.391 6.490 1.380 1.00 0.00 H new ATOM 1971 N SER B 80 5.725 13.615 0.197 1.00 0.00 N ATOM 1972 CA SER B 80 6.209 14.972 -0.006 1.00 0.00 C ATOM 1973 C SER B 80 5.527 15.667 -1.185 1.00 0.00 C ATOM 1974 O SER B 80 5.942 16.751 -1.597 1.00 0.00 O ATOM 1975 CB SER B 80 7.724 14.939 -0.213 1.00 0.00 C ATOM 1976 OG SER B 80 8.131 13.719 -0.815 1.00 0.00 O ATOM 0 H SER B 80 6.311 12.897 -0.230 1.00 0.00 H new ATOM 0 HA SER B 80 5.963 15.552 0.884 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.027 15.777 -0.841 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.228 15.061 0.746 1.00 0.00 H new ATOM 0 HG SER B 80 7.542 13.515 -1.571 1.00 0.00 H new ATOM 1982 N ASN B 81 4.491 15.047 -1.735 1.00 0.00 N ATOM 1983 CA ASN B 81 3.762 15.638 -2.851 1.00 0.00 C ATOM 1984 C ASN B 81 2.804 16.695 -2.315 1.00 0.00 C ATOM 1985 O ASN B 81 1.671 16.393 -1.962 1.00 0.00 O ATOM 1986 CB ASN B 81 2.992 14.565 -3.632 1.00 0.00 C ATOM 1987 CG ASN B 81 2.835 14.893 -5.114 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.742 13.993 -5.953 1.00 0.00 O ATOM 1989 ND2 ASN B 81 2.829 16.170 -5.461 1.00 0.00 N ATOM 0 H ASN B 81 4.138 14.140 -1.429 1.00 0.00 H new ATOM 0 HA ASN B 81 4.472 16.101 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.509 13.611 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.004 14.441 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN B 81 2.746 16.431 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN B 81 2.907 16.893 -4.746 1.00 0.00 H new ATOM 1996 N GLU B 82 3.286 17.931 -2.253 1.00 0.00 N ATOM 1997 CA GLU B 82 2.522 19.073 -1.737 1.00 0.00 C ATOM 1998 C GLU B 82 1.087 19.143 -2.276 1.00 0.00 C ATOM 1999 O GLU B 82 0.171 19.529 -1.548 1.00 0.00 O ATOM 2000 CB GLU B 82 3.251 20.392 -2.052 1.00 0.00 C ATOM 2001 CG GLU B 82 4.214 20.331 -3.238 1.00 0.00 C ATOM 2002 CD GLU B 82 3.576 19.786 -4.503 1.00 0.00 C ATOM 2003 OE1 GLU B 82 2.721 20.476 -5.093 1.00 0.00 O ATOM 2004 OE2 GLU B 82 3.908 18.645 -4.885 1.00 0.00 O ATOM 0 H GLU B 82 4.227 18.176 -2.561 1.00 0.00 H new ATOM 0 HA GLU B 82 2.452 18.925 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU B 82 2.506 21.164 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU B 82 3.807 20.702 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.599 21.331 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.068 19.707 -2.972 1.00 0.00 H new ATOM 2011 N SER B 83 0.902 18.765 -3.533 1.00 0.00 N ATOM 2012 CA SER B 83 -0.406 18.811 -4.169 1.00 0.00 C ATOM 2013 C SER B 83 -1.455 17.970 -3.430 1.00 0.00 C ATOM 2014 O SER B 83 -2.467 18.497 -2.966 1.00 0.00 O ATOM 2015 CB SER B 83 -0.284 18.345 -5.620 1.00 0.00 C ATOM 2016 OG SER B 83 1.050 18.471 -6.090 1.00 0.00 O ATOM 0 H SER B 83 1.649 18.420 -4.136 1.00 0.00 H new ATOM 0 HA SER B 83 -0.751 19.844 -4.134 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.603 17.306 -5.699 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.951 18.932 -6.251 1.00 0.00 H new ATOM 0 HG SER B 83 1.440 19.302 -5.748 1.00 0.00 H new ATOM 2022 N THR B 84 -1.219 16.668 -3.313 1.00 0.00 N ATOM 2023 CA THR B 84 -2.179 15.788 -2.658 1.00 0.00 C ATOM 2024 C THR B 84 -1.531 14.855 -1.634 1.00 0.00 C ATOM 2025 O THR B 84 -1.934 13.703 -1.506 1.00 0.00 O ATOM 2026 CB THR B 84 -2.935 14.953 -3.709 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.102 14.740 -4.859 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.222 15.646 -4.131 1.00 0.00 C ATOM 0 H THR B 84 -0.380 16.202 -3.659 1.00 0.00 H new ATOM 0 HA THR B 84 -2.873 16.431 -2.116 1.00 0.00 H new ATOM 0 HB THR B 84 -3.189 13.992 -3.261 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.238 14.376 -4.574 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.737 15.036 -4.873 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.865 15.779 -3.261 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.987 16.620 -4.561 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.570 15.372 -0.876 1.00 0.00 N ATOM 2037 CA ALA B 85 0.145 14.582 0.133 1.00 0.00 C ATOM 2038 C ALA B 85 -0.804 13.850 1.072 1.00 0.00 C ATOM 2039 O ALA B 85 -0.679 12.645 1.281 1.00 0.00 O ATOM 2040 CB ALA B 85 1.071 15.474 0.947 1.00 0.00 C ATOM 0 H ALA B 85 -0.263 16.343 -0.939 1.00 0.00 H new ATOM 0 HA ALA B 85 0.728 13.835 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.594 14.873 1.691 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.798 15.945 0.285 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.486 16.244 1.449 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.754 14.588 1.626 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.718 14.027 2.558 1.00 0.00 C ATOM 2048 C VAL B 86 -3.552 12.917 1.915 1.00 0.00 C ATOM 2049 O VAL B 86 -3.551 11.780 2.382 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.666 15.122 3.100 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.764 14.519 3.966 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.896 16.168 3.886 1.00 0.00 C ATOM 0 H VAL B 86 -1.877 15.584 1.444 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.145 13.600 3.381 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.132 15.606 2.242 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.415 15.313 4.333 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.349 13.815 3.374 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.315 13.998 4.812 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.586 16.926 4.256 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.393 15.693 4.728 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.155 16.637 3.239 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.219 13.235 0.813 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.090 12.267 0.158 1.00 0.00 C ATOM 2064 C LYS B 87 -4.331 11.122 -0.512 1.00 0.00 C ATOM 2065 O LYS B 87 -4.849 10.014 -0.572 1.00 0.00 O ATOM 2066 CB LYS B 87 -6.037 12.955 -0.823 1.00 0.00 C ATOM 2067 CG LYS B 87 -7.503 12.796 -0.433 1.00 0.00 C ATOM 2068 CD LYS B 87 -7.702 12.951 1.073 1.00 0.00 C ATOM 2069 CE LYS B 87 -8.598 11.857 1.642 1.00 0.00 C ATOM 2070 NZ LYS B 87 -8.505 11.766 3.128 1.00 0.00 N ATOM 0 H LYS B 87 -4.175 14.146 0.357 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.684 11.809 0.949 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.792 14.016 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.883 12.543 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.103 13.539 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.860 11.816 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.733 12.924 1.572 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.141 13.926 1.283 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.632 12.051 1.356 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.321 10.898 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.841 10.833 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.516 11.894 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -9.093 12.508 3.559 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.126 11.364 -1.020 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.361 10.278 -1.630 1.00 0.00 C ATOM 2086 C GLU B 88 -1.939 9.309 -0.535 1.00 0.00 C ATOM 2087 O GLU B 88 -1.880 8.097 -0.744 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.150 10.788 -2.418 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.525 11.359 -3.775 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.330 11.835 -4.575 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.386 10.992 -5.157 1.00 0.00 O ATOM 2092 OE2 GLU B 88 -0.121 13.061 -4.659 1.00 0.00 O ATOM 0 H GLU B 88 -2.667 12.275 -1.024 1.00 0.00 H new ATOM 0 HA GLU B 88 -2.995 9.767 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.640 11.555 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.443 9.970 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.057 10.599 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.214 12.192 -3.633 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.673 9.860 0.647 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.317 9.054 1.804 1.00 0.00 C ATOM 2101 C ARG B 89 -2.512 8.198 2.179 1.00 0.00 C ATOM 2102 O ARG B 89 -2.387 7.006 2.460 1.00 0.00 O ATOM 2103 CB ARG B 89 -0.918 9.955 2.985 1.00 0.00 C ATOM 2104 CG ARG B 89 -0.888 9.244 4.333 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.125 9.561 5.164 1.00 0.00 C ATOM 2106 NE ARG B 89 -1.798 10.325 6.365 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.674 11.078 7.038 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.944 11.152 6.650 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.281 11.753 8.107 1.00 0.00 N ATOM 0 H ARG B 89 -1.698 10.864 0.825 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.465 8.419 1.562 1.00 0.00 H new ATOM 0 HB2 ARG B 89 0.067 10.377 2.788 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -1.617 10.789 3.043 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.821 8.168 4.175 1.00 0.00 H new ATOM 0 HG3 ARG B 89 0.005 9.542 4.882 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.834 10.125 4.558 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.618 8.632 5.449 1.00 0.00 H new ATOM 0 HE ARG B 89 -0.840 10.281 6.713 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.258 10.631 5.831 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.604 11.730 7.171 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.311 11.698 8.416 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.949 12.328 8.621 1.00 0.00 H new ATOM 2123 N ASP B 90 -3.673 8.832 2.156 1.00 0.00 N ATOM 2124 CA ASP B 90 -4.928 8.177 2.483 1.00 0.00 C ATOM 2125 C ASP B 90 -5.296 7.154 1.422 1.00 0.00 C ATOM 2126 O ASP B 90 -5.897 6.136 1.729 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.044 9.206 2.636 1.00 0.00 C ATOM 2128 CG ASP B 90 -5.887 10.026 3.898 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -6.072 11.259 3.834 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -5.573 9.436 4.954 1.00 0.00 O ATOM 0 H ASP B 90 -3.771 9.817 1.910 1.00 0.00 H new ATOM 0 HA ASP B 90 -4.801 7.656 3.432 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.048 9.869 1.771 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.008 8.697 2.652 1.00 0.00 H new ATOM 2135 N ALA B 91 -4.929 7.422 0.173 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.208 6.499 -0.916 1.00 0.00 C ATOM 2137 C ALA B 91 -4.459 5.195 -0.682 1.00 0.00 C ATOM 2138 O ALA B 91 -4.993 4.109 -0.897 1.00 0.00 O ATOM 2139 CB ALA B 91 -4.821 7.113 -2.252 1.00 0.00 C ATOM 0 H ALA B 91 -4.438 8.271 -0.108 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.278 6.292 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.038 6.407 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.392 8.028 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -3.756 7.345 -2.251 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.218 5.318 -0.224 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.393 4.156 0.069 1.00 0.00 C ATOM 2147 C VAL B 92 -2.918 3.489 1.323 1.00 0.00 C ATOM 2148 O VAL B 92 -2.971 2.270 1.434 1.00 0.00 O ATOM 2149 CB VAL B 92 -0.915 4.551 0.287 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.079 3.351 0.702 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.344 5.187 -0.966 1.00 0.00 C ATOM 0 H VAL B 92 -2.762 6.213 -0.048 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.440 3.476 -0.782 1.00 0.00 H new ATOM 0 HB VAL B 92 -0.880 5.280 1.096 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.956 3.661 0.848 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.469 2.940 1.633 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.123 2.590 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.697 5.459 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.402 4.479 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -0.916 6.081 -1.213 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.339 4.330 2.247 1.00 0.00 N ATOM 2162 CA LYS B 93 -3.870 3.903 3.520 1.00 0.00 C ATOM 2163 C LYS B 93 -5.153 3.100 3.338 1.00 0.00 C ATOM 2164 O LYS B 93 -5.260 1.979 3.827 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.108 5.149 4.375 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.246 5.039 5.369 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.456 6.355 6.092 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.927 6.636 6.331 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.569 7.289 5.157 1.00 0.00 N ATOM 0 H LYS B 93 -3.320 5.343 2.130 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.159 3.244 4.019 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.192 5.378 4.919 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.305 5.993 3.713 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.161 4.753 4.851 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.029 4.252 6.091 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.930 6.334 7.046 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.021 7.165 5.507 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.443 5.702 6.553 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.036 7.276 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.539 7.570 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.022 8.131 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.594 6.622 4.360 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.100 3.673 2.608 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.389 3.039 2.355 1.00 0.00 C ATOM 2185 C ASP B 94 -7.243 1.774 1.528 1.00 0.00 C ATOM 2186 O ASP B 94 -7.908 0.771 1.783 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.326 4.021 1.656 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.143 4.829 2.641 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.545 5.577 3.443 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.388 4.701 2.631 1.00 0.00 O ATOM 0 H ASP B 94 -5.998 4.590 2.174 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.814 2.755 3.318 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.742 4.696 1.031 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.996 3.473 0.994 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.354 1.810 0.555 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.134 0.651 -0.297 1.00 0.00 C ATOM 2197 C LEU B 95 -5.415 -0.429 0.490 1.00 0.00 C ATOM 2198 O LEU B 95 -5.518 -1.612 0.176 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.345 1.023 -1.555 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.431 0.006 -2.697 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -6.877 -0.213 -3.117 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -4.601 0.463 -3.886 1.00 0.00 C ATOM 0 H LEU B 95 -5.775 2.620 0.333 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.103 0.272 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.703 1.986 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.298 1.154 -1.283 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.029 -0.941 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.914 -0.939 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.449 -0.588 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.305 0.731 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.676 -0.273 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.973 1.424 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.559 0.566 -3.584 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.689 -0.022 1.522 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.000 -0.973 2.367 1.00 0.00 C ATOM 2216 C LEU B 96 -5.025 -1.699 3.219 1.00 0.00 C ATOM 2217 O LEU B 96 -5.086 -2.914 3.175 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.945 -0.297 3.225 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.560 -0.220 2.591 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.635 0.610 3.452 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -0.983 -1.609 2.386 1.00 0.00 C ATOM 0 H LEU B 96 -4.565 0.955 1.789 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.473 -1.693 1.741 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.279 0.714 3.458 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.867 -0.833 4.171 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.656 0.258 1.616 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.350 0.657 2.988 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.037 1.618 3.551 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.550 0.154 4.439 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.005 -1.529 1.933 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.901 -2.115 3.348 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.638 -2.182 1.730 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.834 -0.966 3.999 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.907 -1.597 4.768 1.00 0.00 C ATOM 2235 C GLN B 97 -7.793 -2.456 3.857 1.00 0.00 C ATOM 2236 O GLN B 97 -8.559 -3.298 4.324 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.746 -0.537 5.478 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.784 0.791 4.762 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.930 1.964 5.703 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.397 3.034 5.323 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.564 1.766 6.942 1.00 0.00 N ATOM 0 H GLN B 97 -5.765 0.046 4.111 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.455 -2.246 5.519 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.765 -0.908 5.589 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.350 -0.386 6.482 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.870 0.910 4.180 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.614 0.793 4.056 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.180 0.864 7.222 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.663 2.514 7.629 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.701 -2.204 2.558 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.438 -2.961 1.562 1.00 0.00 C ATOM 2252 C GLN B 98 -7.695 -4.246 1.163 1.00 0.00 C ATOM 2253 O GLN B 98 -8.266 -5.334 1.184 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.659 -2.087 0.320 1.00 0.00 C ATOM 2255 CG GLN B 98 -9.874 -1.182 0.418 1.00 0.00 C ATOM 2256 CD GLN B 98 -10.768 -1.543 1.584 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -10.618 -1.019 2.685 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.703 -2.439 1.348 1.00 0.00 N ATOM 0 H GLN B 98 -7.112 -1.468 2.168 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.396 -3.249 1.995 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.773 -1.474 0.156 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.767 -2.732 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.546 -0.148 0.521 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.446 -1.244 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.793 -2.850 0.419 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.338 -2.723 2.095 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.420 -4.107 0.819 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.604 -5.235 0.363 1.00 0.00 C ATOM 2269 C LEU B 99 -4.900 -6.008 1.485 1.00 0.00 C ATOM 2270 O LEU B 99 -4.609 -7.193 1.325 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.567 -4.728 -0.635 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.129 -4.359 -2.005 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.162 -3.467 -2.763 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.427 -5.612 -2.801 1.00 0.00 C ATOM 0 H LEU B 99 -5.922 -3.217 0.846 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.293 -5.943 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.073 -3.853 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.803 -5.494 -0.765 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.057 -3.806 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.584 -3.217 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.990 -2.552 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.216 -3.991 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.827 -5.337 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.510 -6.185 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.159 -6.217 -2.266 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.617 -5.352 2.600 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.927 -5.995 3.721 1.00 0.00 C ATOM 2288 C LEU B 100 -4.680 -7.230 4.241 1.00 0.00 C ATOM 2289 O LEU B 100 -4.095 -8.313 4.313 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.665 -4.990 4.859 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.423 -4.110 4.662 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.346 -2.998 5.710 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.167 -4.963 4.701 1.00 0.00 C ATOM 0 H LEU B 100 -4.853 -4.372 2.758 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.966 -6.344 3.342 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.538 -4.345 4.965 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.560 -5.540 5.794 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.502 -3.634 3.684 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.453 -2.397 5.537 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.230 -2.365 5.635 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.299 -3.439 6.706 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.292 -4.329 4.560 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -1.099 -5.466 5.665 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.208 -5.707 3.905 1.00 0.00 H new