USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=25 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 81 ASN : amide:sc= -0.287 K(o=1,f=0.39) USER MOD Set 1.2: B 83 SER OG : rot 95:sc= 1.29 USER MOD Set 1.3: B 84 THR OG1 : rot 180:sc= 0.0375 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.632 F(o=-3.2,f=-2.4) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -3! C(o=-3.2!,f=-2.4!) USER MOD Set 3.1: B 56 SER OG : rot 126:sc= 0.527 USER MOD Set 3.2: B 64 GLN : amide:sc= -2.26! K(o=-2.5!,f=-3) USER MOD Set 3.3: B 78 HIS : no HD1:sc= -0.758 X(o=-2.5,f=-2.1) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -1.62! C(o=-0.41!,f=-3.7!) USER MOD Set 4.2: B 75 THR OG1 : rot -145:sc= 1.21 USER MOD Set 5.1: A 414 LYS NZ :NH3+ -164:sc= 2.2 (180deg=0.841) USER MOD Set 5.2: B 97 GLN : amide:sc= -4.89! C(o=-2.7!,f=-15!) USER MOD Single : B 13 LYS NZ :NH3+ -139:sc= 0.731 (180deg=0.453) USER MOD Single : B 14 LYS NZ :NH3+ -132:sc= 0.746 (180deg=-1.51!) USER MOD Single : B 17 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.07) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : B 19 LYS NZ :NH3+ -169:sc= -0.0254 (180deg=-0.303) USER MOD Single : B 20 GLN : amide:sc= 0.882 K(o=0.88,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc=-0.00362 (180deg=-0.00362) USER MOD Single : B 42 THR OG1 : rot -23:sc= 0.587 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -156:sc= -0.0652 (180deg=-0.425) USER MOD Single : B 47 TYR OH : rot 151:sc= 0.696 USER MOD Single : B 51 LYS NZ :NH3+ -148:sc= 2.39 (180deg=1.35) USER MOD Single : B 52 CYS SG : rot 132:sc= 1.21 USER MOD Single : B 53 GLN : amide:sc= -3.88! C(o=-3.9!,f=-7.8!) USER MOD Single : B 54 LYS NZ :NH3+ 156:sc= -0.0819 (180deg=-3.14!) USER MOD Single : B 60 LYS NZ :NH3+ -178:sc= 0.306 (180deg=0.245) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= 0.221 K(o=0.22,f=-1.7) USER MOD Single : B 74 THR OG1 : rot 27:sc= 0.0531 USER MOD Single : B 80 SER OG : rot 141:sc= 0.85 USER MOD Single : B 87 LYS NZ :NH3+ -163:sc= 1.14 (180deg=1.04) USER MOD Single : B 93 LYS NZ :NH3+ -179:sc= 2.23 (180deg=2.17) USER MOD Single : B 98 GLN :FLIP amide:sc= -4.19! C(o=-6.6!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.966 9.550 11.896 1.00 0.00 N ATOM 230 CA ASP A 405 9.842 8.117 12.131 1.00 0.00 C ATOM 231 C ASP A 405 8.906 7.820 13.289 1.00 0.00 C ATOM 232 O ASP A 405 8.670 6.660 13.629 1.00 0.00 O ATOM 233 CB ASP A 405 11.219 7.487 12.381 1.00 0.00 C ATOM 234 CG ASP A 405 12.118 7.531 11.155 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.618 7.305 10.031 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.331 7.799 11.306 1.00 0.00 O ATOM 0 HA ASP A 405 9.412 7.674 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.708 8.009 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 405 11.088 6.451 12.693 1.00 0.00 H new ATOM 241 N GLU A 406 8.356 8.863 13.886 1.00 0.00 N ATOM 242 CA GLU A 406 7.437 8.687 14.992 1.00 0.00 C ATOM 243 C GLU A 406 6.102 9.328 14.689 1.00 0.00 C ATOM 244 O GLU A 406 5.908 9.884 13.612 1.00 0.00 O ATOM 245 CB GLU A 406 7.998 9.260 16.303 1.00 0.00 C ATOM 246 CG GLU A 406 8.825 10.535 16.154 1.00 0.00 C ATOM 247 CD GLU A 406 8.169 11.604 15.299 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.464 11.657 14.090 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.361 12.392 15.831 1.00 0.00 O ATOM 0 H GLU A 406 8.529 9.834 13.624 1.00 0.00 H new ATOM 0 HA GLU A 406 7.301 7.613 15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.166 9.462 16.978 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.616 8.499 16.779 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.020 10.946 17.144 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.791 10.280 15.719 1.00 0.00 H new ATOM 256 N ASP A 407 5.191 9.223 15.645 1.00 0.00 N ATOM 257 CA ASP A 407 3.870 9.789 15.536 1.00 0.00 C ATOM 258 C ASP A 407 3.142 9.293 14.297 1.00 0.00 C ATOM 259 O ASP A 407 2.928 10.035 13.347 1.00 0.00 O ATOM 260 CB ASP A 407 3.905 11.313 15.599 1.00 0.00 C ATOM 261 CG ASP A 407 2.523 11.924 15.703 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.345 13.068 15.231 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.619 11.261 16.255 1.00 0.00 O ATOM 0 H ASP A 407 5.358 8.735 16.525 1.00 0.00 H new ATOM 0 HA ASP A 407 3.301 9.443 16.399 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.501 11.624 16.457 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.402 11.698 14.709 1.00 0.00 H new ATOM 268 N PHE A 408 2.859 7.994 14.282 1.00 0.00 N ATOM 269 CA PHE A 408 2.092 7.380 13.221 1.00 0.00 C ATOM 270 C PHE A 408 0.916 6.701 13.869 1.00 0.00 C ATOM 271 O PHE A 408 1.071 5.893 14.785 1.00 0.00 O ATOM 272 CB PHE A 408 2.898 6.347 12.413 1.00 0.00 C ATOM 273 CG PHE A 408 3.923 6.929 11.488 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.735 6.875 10.119 1.00 0.00 C ATOM 275 CD2 PHE A 408 5.066 7.528 11.977 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.662 7.414 9.258 1.00 0.00 C ATOM 277 CE2 PHE A 408 5.998 8.064 11.120 1.00 0.00 C ATOM 278 CZ PHE A 408 5.792 8.009 9.760 1.00 0.00 C ATOM 0 H PHE A 408 3.158 7.343 15.008 1.00 0.00 H new ATOM 0 HA PHE A 408 1.790 8.152 12.513 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.399 5.674 13.109 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.204 5.743 11.829 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.849 6.403 9.721 1.00 0.00 H new ATOM 0 HD2 PHE A 408 5.230 7.576 13.043 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.501 7.369 8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.891 8.528 11.513 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.521 8.435 9.087 1.00 0.00 H new ATOM 288 N VAL A 409 -0.250 7.035 13.392 1.00 0.00 N ATOM 289 CA VAL A 409 -1.462 6.495 13.911 1.00 0.00 C ATOM 290 C VAL A 409 -1.743 5.192 13.230 1.00 0.00 C ATOM 291 O VAL A 409 -1.845 5.128 12.010 1.00 0.00 O ATOM 292 CB VAL A 409 -2.578 7.530 13.756 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.274 8.605 14.731 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.621 8.138 12.390 1.00 0.00 C ATOM 0 H VAL A 409 -0.381 7.696 12.626 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.385 6.281 14.977 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.541 7.046 13.920 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.039 9.379 14.669 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.259 8.189 15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.300 9.038 14.503 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.432 8.864 12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.674 8.637 12.184 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.788 7.356 11.649 1.00 0.00 H new ATOM 304 N GLU A 410 -1.816 4.149 14.029 1.00 0.00 N ATOM 305 CA GLU A 410 -2.007 2.824 13.504 1.00 0.00 C ATOM 306 C GLU A 410 -3.244 2.746 12.631 1.00 0.00 C ATOM 307 O GLU A 410 -4.355 3.071 13.054 1.00 0.00 O ATOM 308 CB GLU A 410 -2.083 1.785 14.612 1.00 0.00 C ATOM 309 CG GLU A 410 -1.848 0.374 14.103 1.00 0.00 C ATOM 310 CD GLU A 410 -0.583 -0.242 14.663 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.278 -0.016 15.853 1.00 0.00 O ATOM 312 OE2 GLU A 410 0.146 -0.919 13.907 1.00 0.00 O ATOM 0 H GLU A 410 -1.745 4.198 15.045 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.135 2.602 12.888 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.343 2.020 15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.062 1.838 15.088 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.701 -0.251 14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.790 0.389 13.015 1.00 0.00 H new ATOM 319 N VAL A 411 -3.021 2.325 11.412 1.00 0.00 N ATOM 320 CA VAL A 411 -4.061 2.174 10.443 1.00 0.00 C ATOM 321 C VAL A 411 -4.560 0.738 10.445 1.00 0.00 C ATOM 322 O VAL A 411 -3.826 -0.195 10.080 1.00 0.00 O ATOM 323 CB VAL A 411 -3.593 2.548 9.026 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.786 2.641 8.106 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.837 3.837 9.049 1.00 0.00 C ATOM 0 H VAL A 411 -2.095 2.075 11.066 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.866 2.855 10.720 1.00 0.00 H new ATOM 0 HB VAL A 411 -2.923 1.773 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.452 2.906 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.298 1.679 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.471 3.405 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.513 4.087 8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.481 4.630 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.965 3.736 9.695 1.00 0.00 H new ATOM 335 N PRO A 412 -5.803 0.551 10.896 1.00 0.00 N ATOM 336 CA PRO A 412 -6.451 -0.757 10.951 1.00 0.00 C ATOM 337 C PRO A 412 -6.926 -1.179 9.573 1.00 0.00 C ATOM 338 O PRO A 412 -6.842 -0.403 8.629 1.00 0.00 O ATOM 339 CB PRO A 412 -7.649 -0.501 11.862 1.00 0.00 C ATOM 340 CG PRO A 412 -8.002 0.918 11.582 1.00 0.00 C ATOM 341 CD PRO A 412 -6.690 1.621 11.396 1.00 0.00 C ATOM 0 HA PRO A 412 -5.791 -1.549 11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.477 -1.173 11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.395 -0.652 12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.623 1.001 10.690 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.568 1.353 12.406 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.771 2.443 10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.323 2.044 12.331 1.00 0.00 H new ATOM 349 N GLU A 413 -7.413 -2.398 9.456 1.00 0.00 N ATOM 350 CA GLU A 413 -7.917 -2.902 8.194 1.00 0.00 C ATOM 351 C GLU A 413 -9.427 -2.713 8.145 1.00 0.00 C ATOM 352 O GLU A 413 -10.068 -2.594 9.189 1.00 0.00 O ATOM 353 CB GLU A 413 -7.542 -4.372 8.030 1.00 0.00 C ATOM 354 CG GLU A 413 -6.043 -4.614 8.070 1.00 0.00 C ATOM 355 CD GLU A 413 -5.672 -5.810 8.918 1.00 0.00 C ATOM 356 OE1 GLU A 413 -5.591 -5.666 10.152 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.458 -6.900 8.355 1.00 0.00 O ATOM 0 H GLU A 413 -7.471 -3.063 10.227 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.468 -2.348 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.019 -4.952 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.938 -4.738 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.675 -4.764 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.545 -3.727 8.461 1.00 0.00 H new ATOM 364 N LYS A 414 -10.001 -2.669 6.950 1.00 0.00 N ATOM 365 CA LYS A 414 -11.439 -2.463 6.835 1.00 0.00 C ATOM 366 C LYS A 414 -12.182 -3.726 6.421 1.00 0.00 C ATOM 367 O LYS A 414 -13.218 -4.043 7.001 1.00 0.00 O ATOM 368 CB LYS A 414 -11.773 -1.313 5.883 1.00 0.00 C ATOM 369 CG LYS A 414 -10.736 -1.043 4.823 1.00 0.00 C ATOM 370 CD LYS A 414 -10.431 0.438 4.714 1.00 0.00 C ATOM 371 CE LYS A 414 -11.623 1.318 5.027 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.254 2.760 5.104 1.00 0.00 N ATOM 0 H LYS A 414 -9.506 -2.771 6.064 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.783 -2.195 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -12.723 -1.530 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -11.916 -0.405 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -9.822 -1.588 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.090 -1.415 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -9.616 0.685 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -10.081 0.657 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -12.385 1.180 4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.064 1.006 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -12.015 3.288 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -10.372 2.864 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -11.117 3.135 4.144 1.00 0.00 H new ATOM 786 N VAL B 8 -0.109 -2.659 -11.103 1.00 0.00 N ATOM 787 CA VAL B 8 -0.098 -1.498 -10.231 1.00 0.00 C ATOM 788 C VAL B 8 -1.515 -0.963 -10.077 1.00 0.00 C ATOM 789 O VAL B 8 -2.113 -0.485 -11.039 1.00 0.00 O ATOM 790 CB VAL B 8 0.815 -0.377 -10.772 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.996 0.711 -9.728 1.00 0.00 C ATOM 792 CG2 VAL B 8 2.165 -0.935 -11.199 1.00 0.00 C ATOM 0 HA VAL B 8 0.296 -1.814 -9.265 1.00 0.00 H new ATOM 0 HB VAL B 8 0.335 0.059 -11.648 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.642 1.493 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL B 8 0.025 1.137 -9.474 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.451 0.285 -8.834 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.790 -0.126 -11.576 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.653 -1.402 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.020 -1.678 -11.984 1.00 0.00 H new ATOM 802 N LEU B 9 -2.048 -1.059 -8.872 1.00 0.00 N ATOM 803 CA LEU B 9 -3.401 -0.604 -8.598 1.00 0.00 C ATOM 804 C LEU B 9 -3.408 0.853 -8.153 1.00 0.00 C ATOM 805 O LEU B 9 -4.365 1.583 -8.407 1.00 0.00 O ATOM 806 CB LEU B 9 -4.048 -1.476 -7.517 1.00 0.00 C ATOM 807 CG LEU B 9 -3.943 -2.988 -7.737 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.629 -3.734 -6.604 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.546 -3.385 -9.080 1.00 0.00 C ATOM 0 H LEU B 9 -1.563 -1.449 -8.064 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.976 -0.689 -9.520 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.590 -1.234 -6.558 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.102 -1.210 -7.443 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.888 -3.260 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.547 -4.808 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.152 -3.478 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.681 -3.452 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.459 -4.463 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.598 -3.099 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.013 -2.876 -9.883 1.00 0.00 H new ATOM 821 N LEU B 10 -2.344 1.279 -7.486 1.00 0.00 N ATOM 822 CA LEU B 10 -2.264 2.657 -7.006 1.00 0.00 C ATOM 823 C LEU B 10 -0.900 3.269 -7.304 1.00 0.00 C ATOM 824 O LEU B 10 0.133 2.660 -7.038 1.00 0.00 O ATOM 825 CB LEU B 10 -2.551 2.702 -5.506 1.00 0.00 C ATOM 826 CG LEU B 10 -2.983 4.067 -4.967 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.378 4.433 -5.447 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.937 4.078 -3.451 1.00 0.00 C ATOM 0 H LEU B 10 -1.533 0.701 -7.266 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.015 3.246 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.332 1.976 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.656 2.385 -4.971 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.284 4.811 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.656 5.408 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.390 4.471 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.090 3.683 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.247 5.057 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.610 3.314 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.921 3.871 -3.116 1.00 0.00 H new ATOM 840 N ILE B 11 -0.904 4.475 -7.858 1.00 0.00 N ATOM 841 CA ILE B 11 0.333 5.169 -8.191 1.00 0.00 C ATOM 842 C ILE B 11 0.426 6.500 -7.453 1.00 0.00 C ATOM 843 O ILE B 11 -0.327 7.435 -7.735 1.00 0.00 O ATOM 844 CB ILE B 11 0.458 5.425 -9.712 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.449 4.099 -10.476 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.730 6.210 -10.021 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.480 4.258 -11.982 1.00 0.00 C ATOM 0 H ILE B 11 -1.752 4.993 -8.086 1.00 0.00 H new ATOM 0 HA ILE B 11 1.151 4.519 -7.879 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.398 6.018 -10.034 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.309 3.506 -10.165 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.443 3.537 -10.198 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.801 6.380 -11.095 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.701 7.168 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.598 5.643 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.472 3.275 -12.452 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.394 4.823 -12.306 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.385 4.791 -12.273 1.00 0.00 H new ATOM 859 N VAL B 12 1.343 6.569 -6.502 1.00 0.00 N ATOM 860 CA VAL B 12 1.569 7.776 -5.720 1.00 0.00 C ATOM 861 C VAL B 12 2.932 8.356 -6.075 1.00 0.00 C ATOM 862 O VAL B 12 3.933 7.641 -6.075 1.00 0.00 O ATOM 863 CB VAL B 12 1.502 7.484 -4.209 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.800 8.734 -3.400 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.136 6.925 -3.845 1.00 0.00 C ATOM 0 H VAL B 12 1.952 5.791 -6.249 1.00 0.00 H new ATOM 0 HA VAL B 12 0.785 8.495 -5.957 1.00 0.00 H new ATOM 0 HB VAL B 12 2.262 6.740 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.746 8.501 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.800 9.094 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.068 9.505 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.099 6.722 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.635 7.651 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.037 6.000 -4.396 1.00 0.00 H new ATOM 875 N LYS B 13 2.973 9.643 -6.377 1.00 0.00 N ATOM 876 CA LYS B 13 4.222 10.294 -6.763 1.00 0.00 C ATOM 877 C LYS B 13 4.819 11.045 -5.586 1.00 0.00 C ATOM 878 O LYS B 13 4.125 11.311 -4.604 1.00 0.00 O ATOM 879 CB LYS B 13 4.000 11.262 -7.934 1.00 0.00 C ATOM 880 CG LYS B 13 2.936 10.808 -8.922 1.00 0.00 C ATOM 881 CD LYS B 13 1.557 11.286 -8.500 1.00 0.00 C ATOM 882 CE LYS B 13 0.475 10.303 -8.906 1.00 0.00 C ATOM 883 NZ LYS B 13 -0.750 10.469 -8.084 1.00 0.00 N ATOM 0 H LYS B 13 2.160 10.259 -6.364 1.00 0.00 H new ATOM 0 HA LYS B 13 4.917 9.516 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.719 12.237 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.942 11.394 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.169 11.193 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.941 9.720 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS B 13 1.535 11.426 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS B 13 1.354 12.257 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS B 13 0.230 10.445 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS B 13 0.849 9.285 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -1.135 9.534 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -0.515 10.983 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -1.459 11.006 -8.622 1.00 0.00 H new ATOM 897 N LYS B 14 6.098 11.398 -5.714 1.00 0.00 N ATOM 898 CA LYS B 14 6.832 12.118 -4.683 1.00 0.00 C ATOM 899 C LYS B 14 6.639 11.500 -3.298 1.00 0.00 C ATOM 900 O LYS B 14 5.884 12.002 -2.469 1.00 0.00 O ATOM 901 CB LYS B 14 6.433 13.585 -4.697 1.00 0.00 C ATOM 902 CG LYS B 14 7.300 14.439 -5.606 1.00 0.00 C ATOM 903 CD LYS B 14 6.848 15.890 -5.614 1.00 0.00 C ATOM 904 CE LYS B 14 8.001 16.832 -5.308 1.00 0.00 C ATOM 905 NZ LYS B 14 8.010 17.250 -3.883 1.00 0.00 N ATOM 0 H LYS B 14 6.654 11.189 -6.543 1.00 0.00 H new ATOM 0 HA LYS B 14 7.896 12.039 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.394 13.668 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.487 13.978 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.338 14.383 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.265 14.042 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.424 16.135 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.057 16.030 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.944 16.342 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.928 17.714 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.124 18.282 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.113 16.975 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.799 16.786 -3.390 1.00 0.00 H new ATOM 919 N VAL B 15 7.315 10.385 -3.084 1.00 0.00 N ATOM 920 CA VAL B 15 7.275 9.670 -1.822 1.00 0.00 C ATOM 921 C VAL B 15 8.701 9.449 -1.339 1.00 0.00 C ATOM 922 O VAL B 15 9.509 8.848 -2.040 1.00 0.00 O ATOM 923 CB VAL B 15 6.561 8.307 -1.957 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.486 7.595 -0.615 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.170 8.489 -2.539 1.00 0.00 C ATOM 0 H VAL B 15 7.911 9.948 -3.787 1.00 0.00 H new ATOM 0 HA VAL B 15 6.712 10.269 -1.106 1.00 0.00 H new ATOM 0 HB VAL B 15 7.145 7.687 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.979 6.638 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.494 7.425 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.932 8.211 0.093 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.682 7.518 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.583 9.132 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.245 8.948 -3.525 1.00 0.00 H new ATOM 935 N ARG B 16 9.004 9.939 -0.157 1.00 0.00 N ATOM 936 CA ARG B 16 10.338 9.822 0.398 1.00 0.00 C ATOM 937 C ARG B 16 10.468 8.659 1.365 1.00 0.00 C ATOM 938 O ARG B 16 9.583 8.403 2.181 1.00 0.00 O ATOM 939 CB ARG B 16 10.715 11.104 1.130 1.00 0.00 C ATOM 940 CG ARG B 16 11.319 12.163 0.238 1.00 0.00 C ATOM 941 CD ARG B 16 11.663 13.410 1.025 1.00 0.00 C ATOM 942 NE ARG B 16 12.438 14.356 0.232 1.00 0.00 N ATOM 943 CZ ARG B 16 13.350 15.176 0.739 1.00 0.00 C ATOM 944 NH1 ARG B 16 13.624 15.159 2.038 1.00 0.00 N ATOM 945 NH2 ARG B 16 14.004 16.011 -0.052 1.00 0.00 N ATOM 0 H ARG B 16 8.340 10.427 0.444 1.00 0.00 H new ATOM 0 HA ARG B 16 11.009 9.644 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.825 11.512 1.610 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.423 10.863 1.923 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.217 11.771 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.619 12.414 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.745 13.889 1.366 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.228 13.133 1.915 1.00 0.00 H new ATOM 0 HE ARG B 16 12.269 14.390 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG B 16 13.132 14.512 2.655 1.00 0.00 H new ATOM 0 HH12 ARG B 16 14.326 15.793 2.419 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.807 16.025 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG B 16 14.705 16.641 0.339 1.00 0.00 H new ATOM 959 N GLN B 17 11.582 7.961 1.257 1.00 0.00 N ATOM 960 CA GLN B 17 11.886 6.860 2.142 1.00 0.00 C ATOM 961 C GLN B 17 13.283 7.078 2.712 1.00 0.00 C ATOM 962 O GLN B 17 14.277 6.827 2.032 1.00 0.00 O ATOM 963 CB GLN B 17 11.814 5.531 1.381 1.00 0.00 C ATOM 964 CG GLN B 17 11.371 4.349 2.232 1.00 0.00 C ATOM 965 CD GLN B 17 12.410 3.934 3.256 1.00 0.00 C ATOM 966 OE1 GLN B 17 12.416 4.414 4.387 1.00 0.00 O ATOM 967 NE2 GLN B 17 13.300 3.037 2.862 1.00 0.00 N ATOM 0 H GLN B 17 12.298 8.143 0.554 1.00 0.00 H new ATOM 0 HA GLN B 17 11.159 6.818 2.953 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.124 5.641 0.544 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.795 5.313 0.959 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.445 4.605 2.746 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.151 3.502 1.582 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.261 2.662 1.914 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.025 2.720 3.506 1.00 0.00 H new ATOM 976 N LYS B 18 13.337 7.539 3.960 1.00 0.00 N ATOM 977 CA LYS B 18 14.592 7.809 4.656 1.00 0.00 C ATOM 978 C LYS B 18 15.600 8.590 3.799 1.00 0.00 C ATOM 979 O LYS B 18 16.641 8.056 3.408 1.00 0.00 O ATOM 980 CB LYS B 18 15.193 6.508 5.171 1.00 0.00 C ATOM 981 CG LYS B 18 14.733 6.130 6.578 1.00 0.00 C ATOM 982 CD LYS B 18 14.980 7.247 7.590 1.00 0.00 C ATOM 983 CE LYS B 18 13.723 8.073 7.831 1.00 0.00 C ATOM 984 NZ LYS B 18 13.865 8.991 8.994 1.00 0.00 N ATOM 0 H LYS B 18 12.507 7.736 4.519 1.00 0.00 H new ATOM 0 HA LYS B 18 14.359 8.455 5.503 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.933 5.702 4.485 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.280 6.593 5.165 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.670 5.890 6.558 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.257 5.230 6.899 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.320 6.817 8.532 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.779 7.895 7.230 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.496 8.655 6.937 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.878 7.405 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.985 9.532 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.055 8.436 9.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.654 9.647 8.824 1.00 0.00 H new ATOM 998 N LYS B 19 15.249 9.844 3.491 1.00 0.00 N ATOM 999 CA LYS B 19 16.089 10.748 2.705 1.00 0.00 C ATOM 1000 C LYS B 19 16.208 10.342 1.240 1.00 0.00 C ATOM 1001 O LYS B 19 17.226 10.610 0.600 1.00 0.00 O ATOM 1002 CB LYS B 19 17.464 10.832 3.343 1.00 0.00 C ATOM 1003 CG LYS B 19 17.609 11.943 4.366 1.00 0.00 C ATOM 1004 CD LYS B 19 17.999 13.260 3.715 1.00 0.00 C ATOM 1005 CE LYS B 19 18.350 14.312 4.756 1.00 0.00 C ATOM 1006 NZ LYS B 19 17.381 14.327 5.880 1.00 0.00 N ATOM 0 H LYS B 19 14.366 10.261 3.784 1.00 0.00 H new ATOM 0 HA LYS B 19 15.606 11.725 2.709 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.688 9.880 3.824 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.208 10.976 2.559 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.669 12.067 4.904 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.363 11.664 5.102 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.851 13.102 3.054 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.177 13.619 3.096 1.00 0.00 H new ATOM 0 HE2 LYS B 19 19.351 14.120 5.143 1.00 0.00 H new ATOM 0 HE3 LYS B 19 18.374 15.295 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 17.543 15.170 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.412 14.349 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 17.508 13.472 6.459 1.00 0.00 H new ATOM 1020 N GLN B 20 15.179 9.707 0.705 1.00 0.00 N ATOM 1021 CA GLN B 20 15.185 9.299 -0.696 1.00 0.00 C ATOM 1022 C GLN B 20 13.841 9.621 -1.330 1.00 0.00 C ATOM 1023 O GLN B 20 12.823 9.078 -0.918 1.00 0.00 O ATOM 1024 CB GLN B 20 15.463 7.799 -0.833 1.00 0.00 C ATOM 1025 CG GLN B 20 16.723 7.331 -0.125 1.00 0.00 C ATOM 1026 CD GLN B 20 16.862 5.822 -0.125 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.519 5.244 -0.988 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.228 5.174 0.838 1.00 0.00 N ATOM 0 H GLN B 20 14.330 9.462 1.215 1.00 0.00 H new ATOM 0 HA GLN B 20 15.978 9.847 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.611 7.246 -0.438 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.541 7.551 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.594 7.773 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.713 7.692 0.904 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.693 5.692 1.535 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.274 4.156 0.884 1.00 0.00 H new ATOM 1037 N ASP B 21 13.837 10.499 -2.323 1.00 0.00 N ATOM 1038 CA ASP B 21 12.598 10.872 -2.999 1.00 0.00 C ATOM 1039 C ASP B 21 12.293 9.880 -4.111 1.00 0.00 C ATOM 1040 O ASP B 21 13.198 9.446 -4.833 1.00 0.00 O ATOM 1041 CB ASP B 21 12.685 12.291 -3.575 1.00 0.00 C ATOM 1042 CG ASP B 21 11.738 13.262 -2.888 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.527 12.965 -2.797 1.00 0.00 O ATOM 1044 OD2 ASP B 21 12.208 14.324 -2.425 1.00 0.00 O ATOM 0 H ASP B 21 14.672 10.965 -2.678 1.00 0.00 H new ATOM 0 HA ASP B 21 11.793 10.852 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.707 12.656 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.458 12.261 -4.641 1.00 0.00 H new ATOM 1049 N GLY B 22 11.032 9.510 -4.237 1.00 0.00 N ATOM 1050 CA GLY B 22 10.639 8.568 -5.260 1.00 0.00 C ATOM 1051 C GLY B 22 9.143 8.495 -5.445 1.00 0.00 C ATOM 1052 O GLY B 22 8.441 9.475 -5.237 1.00 0.00 O ATOM 0 H GLY B 22 10.270 9.846 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.104 8.850 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.017 7.579 -5.001 1.00 0.00 H new ATOM 1056 N ALA B 23 8.661 7.331 -5.835 1.00 0.00 N ATOM 1057 CA ALA B 23 7.242 7.115 -6.048 1.00 0.00 C ATOM 1058 C ALA B 23 6.815 5.786 -5.437 1.00 0.00 C ATOM 1059 O ALA B 23 7.574 4.814 -5.449 1.00 0.00 O ATOM 1060 CB ALA B 23 6.917 7.151 -7.534 1.00 0.00 C ATOM 0 H ALA B 23 9.240 6.510 -6.013 1.00 0.00 H new ATOM 0 HA ALA B 23 6.688 7.915 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.849 6.987 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.193 8.123 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.476 6.369 -8.048 1.00 0.00 H new ATOM 1066 N LEU B 24 5.607 5.749 -4.900 1.00 0.00 N ATOM 1067 CA LEU B 24 5.081 4.541 -4.283 1.00 0.00 C ATOM 1068 C LEU B 24 4.023 3.920 -5.180 1.00 0.00 C ATOM 1069 O LEU B 24 3.071 4.584 -5.591 1.00 0.00 O ATOM 1070 CB LEU B 24 4.493 4.846 -2.908 1.00 0.00 C ATOM 1071 CG LEU B 24 4.104 3.612 -2.094 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.320 3.004 -1.417 1.00 0.00 C ATOM 1073 CD2 LEU B 24 3.035 3.963 -1.070 1.00 0.00 C ATOM 0 H LEU B 24 4.969 6.545 -4.879 1.00 0.00 H new ATOM 0 HA LEU B 24 5.900 3.834 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.218 5.427 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.611 5.474 -3.036 1.00 0.00 H new ATOM 0 HG LEU B 24 3.693 2.869 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU B 24 5.017 2.128 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.048 2.710 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.769 3.738 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.771 3.072 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.417 4.727 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.151 4.341 -1.582 1.00 0.00 H new ATOM 1085 N TYR B 25 4.192 2.647 -5.482 1.00 0.00 N ATOM 1086 CA TYR B 25 3.262 1.944 -6.344 1.00 0.00 C ATOM 1087 C TYR B 25 2.603 0.783 -5.610 1.00 0.00 C ATOM 1088 O TYR B 25 3.268 -0.190 -5.246 1.00 0.00 O ATOM 1089 CB TYR B 25 3.983 1.408 -7.587 1.00 0.00 C ATOM 1090 CG TYR B 25 4.683 2.466 -8.412 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.986 2.853 -8.123 1.00 0.00 C ATOM 1092 CD2 TYR B 25 4.045 3.066 -9.490 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.631 3.810 -8.883 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.684 4.024 -10.254 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.976 4.393 -9.947 1.00 0.00 C ATOM 1096 OH TYR B 25 6.615 5.343 -10.709 1.00 0.00 O ATOM 0 H TYR B 25 4.967 2.077 -5.142 1.00 0.00 H new ATOM 0 HA TYR B 25 2.492 2.654 -6.645 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.717 0.665 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.258 0.894 -8.218 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.503 2.398 -7.291 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.033 2.779 -9.735 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.644 4.100 -8.645 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.173 4.482 -11.088 1.00 0.00 H new ATOM 0 HH TYR B 25 6.014 5.651 -11.419 1.00 0.00 H new ATOM 1106 N LEU B 26 1.303 0.892 -5.374 1.00 0.00 N ATOM 1107 CA LEU B 26 0.574 -0.181 -4.723 1.00 0.00 C ATOM 1108 C LEU B 26 0.250 -1.216 -5.772 1.00 0.00 C ATOM 1109 O LEU B 26 -0.394 -0.910 -6.773 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.717 0.304 -4.059 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.539 1.280 -2.899 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.739 1.220 -1.967 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.736 0.991 -2.134 1.00 0.00 C ATOM 0 H LEU B 26 0.739 1.705 -5.622 1.00 0.00 H new ATOM 0 HA LEU B 26 1.196 -0.595 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.338 0.780 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.266 -0.565 -3.697 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.465 2.286 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.597 1.922 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.641 1.485 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.840 0.210 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.837 1.701 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.699 -0.022 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.591 1.086 -2.803 1.00 0.00 H new ATOM 1125 N MET B 27 0.698 -2.428 -5.557 1.00 0.00 N ATOM 1126 CA MET B 27 0.484 -3.480 -6.521 1.00 0.00 C ATOM 1127 C MET B 27 -0.569 -4.450 -6.026 1.00 0.00 C ATOM 1128 O MET B 27 -0.900 -4.465 -4.841 1.00 0.00 O ATOM 1129 CB MET B 27 1.781 -4.226 -6.780 1.00 0.00 C ATOM 1130 CG MET B 27 3.022 -3.376 -6.578 1.00 0.00 C ATOM 1131 SD MET B 27 4.471 -4.067 -7.383 1.00 0.00 S ATOM 1132 CE MET B 27 4.359 -3.204 -8.940 1.00 0.00 C ATOM 0 H MET B 27 1.213 -2.711 -4.723 1.00 0.00 H new ATOM 0 HA MET B 27 0.138 -3.027 -7.450 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.831 -5.091 -6.118 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.774 -4.606 -7.801 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.839 -2.374 -6.966 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.218 -3.274 -5.511 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.185 -3.506 -9.584 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.414 -3.449 -9.424 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.409 -2.129 -8.765 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.060 -5.266 -6.940 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.091 -6.250 -6.651 1.00 0.00 C ATOM 1144 C ALA B 28 -1.806 -7.067 -5.391 1.00 0.00 C ATOM 1145 O ALA B 28 -2.643 -7.139 -4.496 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.256 -7.174 -7.848 1.00 0.00 C ATOM 0 H ALA B 28 -0.753 -5.266 -7.913 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.015 -5.704 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.028 -7.913 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.545 -6.590 -8.722 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.313 -7.683 -8.048 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.623 -7.663 -5.310 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.287 -8.507 -4.168 1.00 0.00 C ATOM 1154 C GLU B 29 0.786 -7.895 -3.262 1.00 0.00 C ATOM 1155 O GLU B 29 1.229 -8.546 -2.310 1.00 0.00 O ATOM 1156 CB GLU B 29 0.226 -9.863 -4.662 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.335 -10.290 -6.011 1.00 0.00 C ATOM 1158 CD GLU B 29 0.582 -9.886 -7.153 1.00 0.00 C ATOM 1159 OE1 GLU B 29 0.658 -8.681 -7.467 1.00 0.00 O ATOM 1160 OE2 GLU B 29 1.273 -10.762 -7.707 1.00 0.00 O ATOM 0 H GLU B 29 0.113 -7.580 -6.012 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.202 -8.612 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.313 -9.825 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.021 -10.624 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.475 -11.371 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.317 -9.840 -6.156 1.00 0.00 H new ATOM 1167 N ARG B 30 1.197 -6.652 -3.508 1.00 0.00 N ATOM 1168 CA ARG B 30 2.258 -6.064 -2.687 1.00 0.00 C ATOM 1169 C ARG B 30 2.357 -4.558 -2.852 1.00 0.00 C ATOM 1170 O ARG B 30 1.692 -3.970 -3.687 1.00 0.00 O ATOM 1171 CB ARG B 30 3.609 -6.692 -3.057 1.00 0.00 C ATOM 1172 CG ARG B 30 4.170 -6.204 -4.387 1.00 0.00 C ATOM 1173 CD ARG B 30 5.222 -7.156 -4.936 1.00 0.00 C ATOM 1174 NE ARG B 30 4.739 -8.537 -5.008 1.00 0.00 N ATOM 1175 CZ ARG B 30 3.740 -8.949 -5.794 1.00 0.00 C ATOM 1176 NH1 ARG B 30 3.080 -8.081 -6.551 1.00 0.00 N ATOM 1177 NH2 ARG B 30 3.394 -10.230 -5.811 1.00 0.00 N ATOM 0 H ARG B 30 0.828 -6.049 -4.243 1.00 0.00 H new ATOM 0 HA ARG B 30 2.006 -6.271 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.329 -6.474 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.497 -7.776 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.359 -6.102 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.607 -5.214 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.523 -6.827 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.110 -7.116 -4.305 1.00 0.00 H new ATOM 0 HE ARG B 30 5.197 -9.232 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.335 -7.093 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG B 30 2.318 -8.402 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.891 -10.900 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG B 30 2.631 -10.544 -6.411 1.00 0.00 H new ATOM 1191 N ILE B 31 3.201 -3.951 -2.040 1.00 0.00 N ATOM 1192 CA ILE B 31 3.445 -2.523 -2.097 1.00 0.00 C ATOM 1193 C ILE B 31 4.928 -2.304 -2.364 1.00 0.00 C ATOM 1194 O ILE B 31 5.778 -2.878 -1.678 1.00 0.00 O ATOM 1195 CB ILE B 31 3.017 -1.803 -0.793 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.611 -0.390 -0.725 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.427 -2.612 0.427 1.00 0.00 C ATOM 1198 CD1 ILE B 31 3.147 0.414 0.472 1.00 0.00 C ATOM 0 H ILE B 31 3.738 -4.436 -1.321 1.00 0.00 H new ATOM 0 HA ILE B 31 2.843 -2.095 -2.899 1.00 0.00 H new ATOM 0 HB ILE B 31 1.931 -1.715 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.698 -0.464 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.348 0.148 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.117 -2.089 1.332 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.949 -3.591 0.392 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.510 -2.737 0.433 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.610 1.400 0.449 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.063 0.521 0.440 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.434 -0.101 1.389 1.00 0.00 H new ATOM 1210 N ALA B 32 5.243 -1.509 -3.368 1.00 0.00 N ATOM 1211 CA ALA B 32 6.629 -1.268 -3.711 1.00 0.00 C ATOM 1212 C ALA B 32 6.928 0.214 -3.869 1.00 0.00 C ATOM 1213 O ALA B 32 6.063 1.001 -4.255 1.00 0.00 O ATOM 1214 CB ALA B 32 6.989 -2.025 -4.977 1.00 0.00 C ATOM 0 H ALA B 32 4.565 -1.024 -3.955 1.00 0.00 H new ATOM 0 HA ALA B 32 7.244 -1.632 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.033 -1.838 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.839 -3.093 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.353 -1.688 -5.796 1.00 0.00 H new ATOM 1220 N TRP B 33 8.158 0.581 -3.558 1.00 0.00 N ATOM 1221 CA TRP B 33 8.602 1.956 -3.663 1.00 0.00 C ATOM 1222 C TRP B 33 9.857 2.028 -4.521 1.00 0.00 C ATOM 1223 O TRP B 33 10.766 1.208 -4.376 1.00 0.00 O ATOM 1224 CB TRP B 33 8.881 2.539 -2.273 1.00 0.00 C ATOM 1225 CG TRP B 33 9.431 3.935 -2.308 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.718 5.098 -2.310 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.814 4.312 -2.352 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.572 6.171 -2.358 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.861 5.716 -2.385 1.00 0.00 C ATOM 1230 CE3 TRP B 33 12.016 3.599 -2.370 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 12.060 6.420 -2.436 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.206 4.299 -2.419 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.219 5.697 -2.452 1.00 0.00 C ATOM 0 H TRP B 33 8.874 -0.065 -3.227 1.00 0.00 H new ATOM 0 HA TRP B 33 7.813 2.544 -4.131 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.957 2.535 -1.694 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.586 1.892 -1.751 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.641 5.164 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.290 7.151 -2.371 1.00 0.00 H new ATOM 0 HE3 TRP B 33 12.015 2.519 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 12.074 7.500 -2.462 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.141 3.758 -2.432 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.165 6.216 -2.491 1.00 0.00 H new ATOM 1244 N ALA B 34 9.896 3.004 -5.409 1.00 0.00 N ATOM 1245 CA ALA B 34 11.034 3.201 -6.287 1.00 0.00 C ATOM 1246 C ALA B 34 11.443 4.663 -6.272 1.00 0.00 C ATOM 1247 O ALA B 34 10.586 5.533 -6.159 1.00 0.00 O ATOM 1248 CB ALA B 34 10.687 2.763 -7.702 1.00 0.00 C ATOM 0 H ALA B 34 9.143 3.680 -5.542 1.00 0.00 H new ATOM 0 HA ALA B 34 11.868 2.595 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.549 2.916 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.416 1.707 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.847 3.352 -8.069 1.00 0.00 H new ATOM 1254 N PRO B 35 12.749 4.962 -6.354 1.00 0.00 N ATOM 1255 CA PRO B 35 13.235 6.345 -6.367 1.00 0.00 C ATOM 1256 C PRO B 35 12.664 7.113 -7.560 1.00 0.00 C ATOM 1257 O PRO B 35 12.260 6.511 -8.556 1.00 0.00 O ATOM 1258 CB PRO B 35 14.756 6.201 -6.486 1.00 0.00 C ATOM 1259 CG PRO B 35 15.050 4.807 -6.045 1.00 0.00 C ATOM 1260 CD PRO B 35 13.850 3.989 -6.430 1.00 0.00 C ATOM 0 HA PRO B 35 12.935 6.904 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.089 6.369 -7.510 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.271 6.929 -5.860 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.951 4.428 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.221 4.766 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.951 3.571 -7.432 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.697 3.152 -5.749 1.00 0.00 H new ATOM 1368 N THR B 42 13.057 -0.402 -5.136 1.00 0.00 N ATOM 1369 CA THR B 42 14.084 -0.844 -4.210 1.00 0.00 C ATOM 1370 C THR B 42 13.440 -1.413 -2.950 1.00 0.00 C ATOM 1371 O THR B 42 14.030 -2.226 -2.241 1.00 0.00 O ATOM 1372 CB THR B 42 15.022 0.316 -3.840 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.306 1.558 -3.899 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.216 0.366 -4.780 1.00 0.00 C ATOM 0 HA THR B 42 14.673 -1.622 -4.696 1.00 0.00 H new ATOM 0 HB THR B 42 15.387 0.154 -2.826 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.532 1.462 -4.492 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.866 1.195 -4.499 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.771 -0.570 -4.713 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.868 0.509 -5.803 1.00 0.00 H new ATOM 1382 N ILE B 43 12.221 -0.968 -2.683 1.00 0.00 N ATOM 1383 CA ILE B 43 11.465 -1.428 -1.530 1.00 0.00 C ATOM 1384 C ILE B 43 10.280 -2.255 -2.004 1.00 0.00 C ATOM 1385 O ILE B 43 9.452 -1.768 -2.769 1.00 0.00 O ATOM 1386 CB ILE B 43 10.949 -0.245 -0.678 1.00 0.00 C ATOM 1387 CG1 ILE B 43 12.117 0.608 -0.169 1.00 0.00 C ATOM 1388 CG2 ILE B 43 10.105 -0.748 0.485 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.952 -0.072 0.894 1.00 0.00 C ATOM 0 H ILE B 43 11.731 -0.282 -3.257 1.00 0.00 H new ATOM 0 HA ILE B 43 12.129 -2.030 -0.910 1.00 0.00 H new ATOM 0 HB ILE B 43 10.320 0.381 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.759 0.868 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.724 1.542 0.233 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.752 0.100 1.072 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.250 -1.304 0.100 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.708 -1.400 1.117 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.758 0.593 1.204 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.325 -0.307 1.754 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.375 -0.992 0.491 1.00 0.00 H new ATOM 1401 N SER B 44 10.207 -3.501 -1.568 1.00 0.00 N ATOM 1402 CA SER B 44 9.119 -4.378 -1.964 1.00 0.00 C ATOM 1403 C SER B 44 8.603 -5.161 -0.764 1.00 0.00 C ATOM 1404 O SER B 44 9.348 -5.916 -0.139 1.00 0.00 O ATOM 1405 CB SER B 44 9.588 -5.334 -3.067 1.00 0.00 C ATOM 1406 OG SER B 44 8.501 -6.047 -3.636 1.00 0.00 O ATOM 0 H SER B 44 10.888 -3.928 -0.940 1.00 0.00 H new ATOM 0 HA SER B 44 8.303 -3.769 -2.353 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.101 -4.769 -3.845 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.311 -6.039 -2.656 1.00 0.00 H new ATOM 0 HG SER B 44 8.834 -6.646 -4.337 1.00 0.00 H new ATOM 1412 N HIS B 45 7.337 -4.956 -0.435 1.00 0.00 N ATOM 1413 CA HIS B 45 6.707 -5.647 0.681 1.00 0.00 C ATOM 1414 C HIS B 45 5.389 -6.243 0.246 1.00 0.00 C ATOM 1415 O HIS B 45 4.531 -5.544 -0.290 1.00 0.00 O ATOM 1416 CB HIS B 45 6.462 -4.692 1.853 1.00 0.00 C ATOM 1417 CG HIS B 45 7.697 -4.302 2.602 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.443 -5.170 3.364 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.303 -3.095 2.709 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.454 -4.479 3.904 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.417 -3.213 3.534 1.00 0.00 N ATOM 0 H HIS B 45 6.721 -4.311 -0.929 1.00 0.00 H new ATOM 0 HA HIS B 45 7.382 -6.439 1.006 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.981 -3.790 1.476 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.764 -5.160 2.547 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.259 -6.165 3.495 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.973 -2.185 2.230 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.202 -4.902 4.557 1.00 0.00 H new ATOM 1429 N MET B 46 5.229 -7.533 0.458 1.00 0.00 N ATOM 1430 CA MET B 46 3.997 -8.192 0.099 1.00 0.00 C ATOM 1431 C MET B 46 2.996 -7.962 1.212 1.00 0.00 C ATOM 1432 O MET B 46 3.373 -7.829 2.375 1.00 0.00 O ATOM 1433 CB MET B 46 4.212 -9.694 -0.122 1.00 0.00 C ATOM 1434 CG MET B 46 5.304 -10.018 -1.132 1.00 0.00 C ATOM 1435 SD MET B 46 4.647 -10.596 -2.711 1.00 0.00 S ATOM 1436 CE MET B 46 3.931 -12.164 -2.225 1.00 0.00 C ATOM 0 H MET B 46 5.934 -8.141 0.875 1.00 0.00 H new ATOM 0 HA MET B 46 3.625 -7.778 -0.838 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.462 -10.159 0.831 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.276 -10.140 -0.458 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.912 -9.129 -1.300 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.962 -10.781 -0.716 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.873 -12.822 -3.092 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.554 -12.627 -1.460 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.930 -11.999 -1.827 1.00 0.00 H new ATOM 1446 N TYR B 47 1.728 -7.891 0.861 1.00 0.00 N ATOM 1447 CA TYR B 47 0.683 -7.672 1.858 1.00 0.00 C ATOM 1448 C TYR B 47 0.656 -8.817 2.865 1.00 0.00 C ATOM 1449 O TYR B 47 0.241 -8.641 4.007 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.684 -7.519 1.187 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.758 -6.340 0.244 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.230 -5.105 0.603 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.347 -6.462 -1.005 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.286 -4.028 -0.259 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.409 -5.389 -1.871 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.877 -4.175 -1.494 1.00 0.00 C ATOM 1457 OH TYR B 47 -0.928 -3.107 -2.360 1.00 0.00 O ATOM 0 H TYR B 47 1.391 -7.980 -0.098 1.00 0.00 H new ATOM 0 HA TYR B 47 0.909 -6.748 2.390 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -0.915 -8.431 0.636 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.448 -7.409 1.956 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.232 -4.986 1.572 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.764 -7.412 -1.305 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.131 -3.076 0.034 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.873 -5.500 -2.840 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.923 -3.434 -3.284 1.00 0.00 H new ATOM 1467 N ALA B 48 1.147 -9.975 2.439 1.00 0.00 N ATOM 1468 CA ALA B 48 1.180 -11.157 3.288 1.00 0.00 C ATOM 1469 C ALA B 48 2.319 -11.096 4.305 1.00 0.00 C ATOM 1470 O ALA B 48 2.448 -11.985 5.142 1.00 0.00 O ATOM 1471 CB ALA B 48 1.301 -12.410 2.434 1.00 0.00 C ATOM 0 H ALA B 48 1.530 -10.119 1.505 1.00 0.00 H new ATOM 0 HA ALA B 48 0.245 -11.190 3.847 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.325 -13.289 3.079 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.446 -12.476 1.762 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.219 -12.364 1.849 1.00 0.00 H new ATOM 1477 N ASP B 49 3.152 -10.061 4.219 1.00 0.00 N ATOM 1478 CA ASP B 49 4.262 -9.904 5.154 1.00 0.00 C ATOM 1479 C ASP B 49 3.972 -8.760 6.115 1.00 0.00 C ATOM 1480 O ASP B 49 4.683 -8.561 7.106 1.00 0.00 O ATOM 1481 CB ASP B 49 5.592 -9.599 4.436 1.00 0.00 C ATOM 1482 CG ASP B 49 5.717 -10.186 3.039 1.00 0.00 C ATOM 1483 OD1 ASP B 49 6.238 -9.469 2.149 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.312 -11.345 2.821 1.00 0.00 O ATOM 0 H ASP B 49 3.080 -9.324 3.517 1.00 0.00 H new ATOM 0 HA ASP B 49 4.361 -10.850 5.687 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.713 -8.518 4.372 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.412 -9.976 5.047 1.00 0.00 H new ATOM 1489 N ILE B 50 2.916 -8.011 5.828 1.00 0.00 N ATOM 1490 CA ILE B 50 2.555 -6.866 6.644 1.00 0.00 C ATOM 1491 C ILE B 50 1.489 -7.238 7.677 1.00 0.00 C ATOM 1492 O ILE B 50 0.494 -7.883 7.355 1.00 0.00 O ATOM 1493 CB ILE B 50 2.046 -5.703 5.773 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.056 -5.388 4.666 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.791 -4.471 6.630 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.518 -4.469 3.591 1.00 0.00 C ATOM 0 H ILE B 50 2.296 -8.178 5.036 1.00 0.00 H new ATOM 0 HA ILE B 50 3.456 -6.546 7.168 1.00 0.00 H new ATOM 0 HB ILE B 50 1.105 -6.000 5.309 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.939 -4.931 5.112 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.378 -6.322 4.205 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.432 -3.657 6.000 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.041 -4.703 7.386 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.718 -4.169 7.118 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.291 -4.293 2.843 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.653 -4.932 3.117 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.222 -3.520 4.038 1.00 0.00 H new ATOM 1508 N LYS B 51 1.708 -6.825 8.917 1.00 0.00 N ATOM 1509 CA LYS B 51 0.779 -7.110 10.007 1.00 0.00 C ATOM 1510 C LYS B 51 -0.305 -6.040 10.089 1.00 0.00 C ATOM 1511 O LYS B 51 -1.497 -6.347 10.140 1.00 0.00 O ATOM 1512 CB LYS B 51 1.549 -7.182 11.327 1.00 0.00 C ATOM 1513 CG LYS B 51 0.727 -7.678 12.505 1.00 0.00 C ATOM 1514 CD LYS B 51 1.612 -8.015 13.698 1.00 0.00 C ATOM 1515 CE LYS B 51 2.337 -6.787 14.236 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.810 -6.865 14.018 1.00 0.00 N ATOM 0 H LYS B 51 2.528 -6.287 9.197 1.00 0.00 H new ATOM 0 HA LYS B 51 0.295 -8.068 9.815 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.409 -7.839 11.197 1.00 0.00 H new ATOM 0 HB3 LYS B 51 1.938 -6.191 11.562 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.002 -6.916 12.791 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.161 -8.561 12.209 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.003 -8.452 14.489 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.343 -8.769 13.406 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.946 -5.893 13.749 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.134 -6.685 15.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.302 -6.377 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.105 -7.862 13.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.052 -6.410 13.114 1.00 0.00 H new ATOM 1530 N CYS B 52 0.129 -4.791 10.108 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.763 -3.643 10.183 1.00 0.00 C ATOM 1532 C CYS B 52 -0.027 -2.435 9.634 1.00 0.00 C ATOM 1533 O CYS B 52 1.132 -2.558 9.232 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.207 -3.397 11.625 1.00 0.00 C ATOM 1535 SG CYS B 52 0.106 -3.624 12.850 1.00 0.00 S ATOM 0 H CYS B 52 1.117 -4.542 10.072 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.661 -3.830 9.594 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.594 -2.381 11.707 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.030 -4.072 11.861 1.00 0.00 H new ATOM 0 HG CYS B 52 0.129 -2.604 13.656 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.652 -1.269 9.608 1.00 0.00 N ATOM 1542 CA GLN B 53 0.015 -0.116 9.084 1.00 0.00 C ATOM 1543 C GLN B 53 -0.264 1.054 10.007 1.00 0.00 C ATOM 1544 O GLN B 53 -1.051 0.917 10.922 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.495 0.123 7.659 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.005 0.100 7.560 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.531 0.897 6.392 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -1.882 1.815 5.905 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -3.733 0.570 5.959 1.00 0.00 N ATOM 0 H GLN B 53 -1.603 -1.109 9.940 1.00 0.00 H new ATOM 0 HA GLN B 53 1.096 -0.250 9.035 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.128 1.086 7.304 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.081 -0.639 6.998 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.342 -0.933 7.469 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.430 0.494 8.483 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.239 -0.202 6.393 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.157 1.089 5.190 1.00 0.00 H new ATOM 1558 N LYS B 54 0.451 2.146 9.839 1.00 0.00 N ATOM 1559 CA LYS B 54 0.239 3.353 10.631 1.00 0.00 C ATOM 1560 C LYS B 54 0.441 4.534 9.713 1.00 0.00 C ATOM 1561 O LYS B 54 0.951 4.377 8.609 1.00 0.00 O ATOM 1562 CB LYS B 54 1.212 3.476 11.811 1.00 0.00 C ATOM 1563 CG LYS B 54 1.375 2.223 12.640 1.00 0.00 C ATOM 1564 CD LYS B 54 1.243 2.548 14.113 1.00 0.00 C ATOM 1565 CE LYS B 54 2.353 1.928 14.925 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.203 0.456 15.047 1.00 0.00 N ATOM 0 H LYS B 54 1.198 2.229 9.150 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.766 3.314 11.051 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.189 3.769 11.427 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.870 4.281 12.461 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.622 1.489 12.354 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.349 1.774 12.445 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.254 3.629 14.249 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.281 2.190 14.479 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.312 2.157 14.460 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.366 2.374 15.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.132 0.027 15.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.556 0.237 15.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.816 0.072 14.161 1.00 0.00 H new ATOM 1580 N ILE B 55 0.034 5.698 10.148 1.00 0.00 N ATOM 1581 CA ILE B 55 0.194 6.896 9.331 1.00 0.00 C ATOM 1582 C ILE B 55 0.578 8.075 10.185 1.00 0.00 C ATOM 1583 O ILE B 55 -0.023 8.262 11.212 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.140 7.261 8.642 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.262 7.053 9.650 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.370 6.435 7.391 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.660 7.326 9.168 1.00 0.00 C ATOM 0 H ILE B 55 -0.408 5.853 11.054 1.00 0.00 H new ATOM 0 HA ILE B 55 0.969 6.682 8.595 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.111 8.302 8.321 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.218 6.022 10.001 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.068 7.691 10.512 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.318 6.721 6.935 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.560 6.612 6.684 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.398 5.377 7.653 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.366 7.142 9.977 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.738 8.365 8.848 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.890 6.670 8.329 1.00 0.00 H new ATOM 1599 N SER B 56 1.575 8.863 9.811 1.00 0.00 N ATOM 1600 CA SER B 56 1.869 10.027 10.617 1.00 0.00 C ATOM 1601 C SER B 56 0.701 10.958 10.394 1.00 0.00 C ATOM 1602 O SER B 56 0.528 11.486 9.272 1.00 0.00 O ATOM 1603 CB SER B 56 3.219 10.671 10.292 1.00 0.00 C ATOM 1604 OG SER B 56 3.367 10.934 8.923 1.00 0.00 O ATOM 0 H SER B 56 2.167 8.725 8.992 1.00 0.00 H new ATOM 0 HA SER B 56 1.978 9.761 11.668 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.319 11.601 10.851 1.00 0.00 H new ATOM 0 HB3 SER B 56 4.022 10.012 10.622 1.00 0.00 H new ATOM 0 HG SER B 56 3.588 11.880 8.794 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.121 11.094 11.470 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.390 11.833 11.499 1.00 0.00 C ATOM 1612 C PRO B 57 -1.301 13.277 11.030 1.00 0.00 C ATOM 1613 O PRO B 57 -0.213 13.842 10.866 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.786 11.830 12.983 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.546 11.479 13.713 1.00 0.00 C ATOM 1616 CD PRO B 57 0.190 10.562 12.805 1.00 0.00 C ATOM 0 HA PRO B 57 -2.098 11.359 10.819 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.163 12.805 13.292 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.577 11.106 13.178 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.044 12.368 13.939 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.771 10.996 14.664 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.262 10.573 13.004 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.145 9.531 12.916 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.468 13.867 10.824 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.570 15.255 10.428 1.00 0.00 C ATOM 1626 C GLU B 58 -1.988 16.111 11.549 1.00 0.00 C ATOM 1627 O GLU B 58 -2.176 15.810 12.728 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.030 15.651 10.157 1.00 0.00 C ATOM 1629 CG GLU B 58 -5.011 14.481 10.117 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.738 13.511 8.981 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.191 12.420 9.250 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -5.058 13.837 7.824 1.00 0.00 O ATOM 0 H GLU B 58 -3.366 13.395 10.927 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.016 15.411 9.502 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.352 16.351 10.928 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.078 16.181 9.206 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.965 13.944 11.064 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.025 14.869 10.020 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.302 17.173 11.189 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.677 18.020 12.183 1.00 0.00 C ATOM 1641 C GLY B 59 0.827 17.958 12.063 1.00 0.00 C ATOM 1642 O GLY B 59 1.520 18.938 12.333 1.00 0.00 O ATOM 0 H GLY B 59 -1.163 17.470 10.223 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.015 19.048 12.057 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.981 17.704 13.181 1.00 0.00 H new ATOM 1646 N LYS B 60 1.336 16.795 11.660 1.00 0.00 N ATOM 1647 CA LYS B 60 2.762 16.639 11.433 1.00 0.00 C ATOM 1648 C LYS B 60 3.131 17.435 10.190 1.00 0.00 C ATOM 1649 O LYS B 60 2.291 17.641 9.314 1.00 0.00 O ATOM 1650 CB LYS B 60 3.153 15.167 11.218 1.00 0.00 C ATOM 1651 CG LYS B 60 3.549 14.391 12.472 1.00 0.00 C ATOM 1652 CD LYS B 60 4.403 13.191 12.085 1.00 0.00 C ATOM 1653 CE LYS B 60 5.271 12.683 13.221 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.126 13.732 13.826 1.00 0.00 N ATOM 0 H LYS B 60 0.783 15.956 11.486 1.00 0.00 H new ATOM 0 HA LYS B 60 3.295 16.998 12.313 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.315 14.654 10.747 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.985 15.131 10.515 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.102 15.039 13.153 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.657 14.059 13.003 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.753 12.385 11.745 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.040 13.463 11.243 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.631 12.256 13.994 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.905 11.877 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 6.717 13.311 14.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.736 14.147 13.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.525 14.474 14.238 1.00 0.00 H new ATOM 1668 N ALA B 61 4.375 17.871 10.099 1.00 0.00 N ATOM 1669 CA ALA B 61 4.817 18.640 8.941 1.00 0.00 C ATOM 1670 C ALA B 61 5.019 17.729 7.737 1.00 0.00 C ATOM 1671 O ALA B 61 5.382 18.181 6.653 1.00 0.00 O ATOM 1672 CB ALA B 61 6.098 19.396 9.263 1.00 0.00 C ATOM 0 H ALA B 61 5.094 17.710 10.804 1.00 0.00 H new ATOM 0 HA ALA B 61 4.042 19.365 8.693 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.414 19.965 8.389 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.919 20.078 10.094 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.880 18.687 9.537 1.00 0.00 H new ATOM 1678 N LYS B 62 4.773 16.443 7.939 1.00 0.00 N ATOM 1679 CA LYS B 62 4.927 15.461 6.885 1.00 0.00 C ATOM 1680 C LYS B 62 3.922 14.325 7.052 1.00 0.00 C ATOM 1681 O LYS B 62 4.014 13.524 7.987 1.00 0.00 O ATOM 1682 CB LYS B 62 6.357 14.910 6.871 1.00 0.00 C ATOM 1683 CG LYS B 62 6.969 14.741 8.253 1.00 0.00 C ATOM 1684 CD LYS B 62 7.958 15.852 8.570 1.00 0.00 C ATOM 1685 CE LYS B 62 9.358 15.503 8.094 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.384 15.823 9.121 1.00 0.00 N ATOM 0 H LYS B 62 4.464 16.057 8.831 1.00 0.00 H new ATOM 0 HA LYS B 62 4.733 15.952 5.931 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.359 13.945 6.364 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.987 15.579 6.285 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.178 14.733 9.003 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.474 13.777 8.312 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.631 16.778 8.096 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.972 16.032 9.645 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.406 14.442 7.851 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.578 16.050 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.326 15.571 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.356 16.840 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.189 15.282 9.987 1.00 0.00 H new ATOM 1700 N ILE B 63 2.943 14.291 6.161 1.00 0.00 N ATOM 1701 CA ILE B 63 1.923 13.249 6.162 1.00 0.00 C ATOM 1702 C ILE B 63 2.559 11.977 5.622 1.00 0.00 C ATOM 1703 O ILE B 63 2.942 11.926 4.453 1.00 0.00 O ATOM 1704 CB ILE B 63 0.721 13.671 5.288 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.257 15.073 5.680 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.425 12.683 5.417 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.272 16.062 4.536 1.00 0.00 C ATOM 0 H ILE B 63 2.832 14.981 5.419 1.00 0.00 H new ATOM 0 HA ILE B 63 1.550 13.083 7.173 1.00 0.00 H new ATOM 0 HB ILE B 63 1.043 13.678 4.247 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.754 15.012 6.082 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.896 15.447 6.480 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.256 13.006 4.791 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.092 11.696 5.097 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.750 12.637 6.456 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.070 17.034 4.891 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.286 16.154 4.148 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.390 15.712 3.744 1.00 0.00 H new ATOM 1719 N GLN B 64 2.701 10.950 6.456 1.00 0.00 N ATOM 1720 CA GLN B 64 3.392 9.738 6.004 1.00 0.00 C ATOM 1721 C GLN B 64 2.688 8.452 6.411 1.00 0.00 C ATOM 1722 O GLN B 64 1.737 8.465 7.182 1.00 0.00 O ATOM 1723 CB GLN B 64 4.820 9.711 6.565 1.00 0.00 C ATOM 1724 CG GLN B 64 5.592 11.011 6.386 1.00 0.00 C ATOM 1725 CD GLN B 64 6.710 11.170 7.397 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.782 11.688 7.086 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.457 10.753 8.623 1.00 0.00 N ATOM 0 H GLN B 64 2.361 10.926 7.417 1.00 0.00 H new ATOM 0 HA GLN B 64 3.396 9.780 4.915 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.775 9.473 7.628 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.372 8.905 6.081 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.010 11.045 5.380 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.905 11.852 6.475 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.556 10.328 8.841 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.163 10.855 9.352 1.00 0.00 H new ATOM 1736 N LEU B 65 3.159 7.348 5.845 1.00 0.00 N ATOM 1737 CA LEU B 65 2.632 6.026 6.149 1.00 0.00 C ATOM 1738 C LEU B 65 3.735 5.155 6.750 1.00 0.00 C ATOM 1739 O LEU B 65 4.915 5.352 6.462 1.00 0.00 O ATOM 1740 CB LEU B 65 2.104 5.341 4.890 1.00 0.00 C ATOM 1741 CG LEU B 65 1.327 4.049 5.148 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.153 4.326 5.310 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.559 3.045 4.045 1.00 0.00 C ATOM 0 H LEU B 65 3.917 7.345 5.163 1.00 0.00 H new ATOM 0 HA LEU B 65 1.814 6.148 6.859 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.458 6.038 4.357 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.945 5.119 4.233 1.00 0.00 H new ATOM 0 HG LEU B 65 1.698 3.623 6.080 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.681 3.390 5.492 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.307 4.999 6.153 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.538 4.789 4.401 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.994 2.137 4.255 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.229 3.466 3.095 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.621 2.807 3.987 1.00 0.00 H new ATOM 1755 N GLN B 66 3.346 4.213 7.590 1.00 0.00 N ATOM 1756 CA GLN B 66 4.276 3.298 8.222 1.00 0.00 C ATOM 1757 C GLN B 66 3.773 1.867 8.093 1.00 0.00 C ATOM 1758 O GLN B 66 2.676 1.550 8.541 1.00 0.00 O ATOM 1759 CB GLN B 66 4.422 3.656 9.695 1.00 0.00 C ATOM 1760 CG GLN B 66 5.499 2.867 10.420 1.00 0.00 C ATOM 1761 CD GLN B 66 5.781 3.410 11.806 1.00 0.00 C ATOM 1762 OE1 GLN B 66 6.769 4.284 11.904 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.120 3.041 12.780 1.00 0.00 N flip ATOM 0 H GLN B 66 2.372 4.061 7.853 1.00 0.00 H new ATOM 0 HA GLN B 66 5.244 3.380 7.728 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.647 4.719 9.779 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.467 3.491 10.195 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.191 1.824 10.497 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.417 2.886 9.832 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.366 2.365 12.658 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.327 3.412 13.707 1.00 0.00 H new ATOM 1772 N LEU B 67 4.562 1.010 7.476 1.00 0.00 N ATOM 1773 CA LEU B 67 4.175 -0.382 7.313 1.00 0.00 C ATOM 1774 C LEU B 67 4.761 -1.236 8.420 1.00 0.00 C ATOM 1775 O LEU B 67 5.972 -1.425 8.477 1.00 0.00 O ATOM 1776 CB LEU B 67 4.654 -0.921 5.969 1.00 0.00 C ATOM 1777 CG LEU B 67 3.854 -0.463 4.759 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.330 -1.197 3.519 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.367 -0.698 4.985 1.00 0.00 C ATOM 0 H LEU B 67 5.471 1.249 7.080 1.00 0.00 H new ATOM 0 HA LEU B 67 3.087 -0.428 7.357 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.694 -0.626 5.828 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.634 -2.010 6.006 1.00 0.00 H new ATOM 0 HG LEU B 67 4.010 0.606 4.615 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.753 -0.865 2.656 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.386 -0.985 3.353 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.193 -2.270 3.656 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.809 -0.365 4.110 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.187 -1.761 5.147 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.039 -0.137 5.860 1.00 0.00 H new ATOM 1791 N VAL B 68 3.911 -1.740 9.301 1.00 0.00 N ATOM 1792 CA VAL B 68 4.372 -2.592 10.380 1.00 0.00 C ATOM 1793 C VAL B 68 4.243 -4.043 9.962 1.00 0.00 C ATOM 1794 O VAL B 68 3.141 -4.595 9.885 1.00 0.00 O ATOM 1795 CB VAL B 68 3.612 -2.348 11.700 1.00 0.00 C ATOM 1796 CG1 VAL B 68 3.971 -3.405 12.734 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.937 -0.969 12.236 1.00 0.00 C ATOM 0 H VAL B 68 2.905 -1.574 9.289 1.00 0.00 H new ATOM 0 HA VAL B 68 5.416 -2.345 10.571 1.00 0.00 H new ATOM 0 HB VAL B 68 2.543 -2.413 11.499 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.423 -3.212 13.656 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.706 -4.391 12.353 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.042 -3.369 12.934 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.397 -0.804 13.168 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.009 -0.893 12.420 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.640 -0.216 11.506 1.00 0.00 H new ATOM 1807 N LEU B 69 5.376 -4.655 9.685 1.00 0.00 N ATOM 1808 CA LEU B 69 5.409 -6.030 9.243 1.00 0.00 C ATOM 1809 C LEU B 69 5.060 -6.981 10.390 1.00 0.00 C ATOM 1810 O LEU B 69 4.861 -6.553 11.531 1.00 0.00 O ATOM 1811 CB LEU B 69 6.767 -6.363 8.635 1.00 0.00 C ATOM 1812 CG LEU B 69 7.202 -5.479 7.459 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.080 -6.272 6.515 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.017 -4.887 6.715 1.00 0.00 C ATOM 0 H LEU B 69 6.293 -4.215 9.760 1.00 0.00 H new ATOM 0 HA LEU B 69 4.654 -6.162 8.468 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.522 -6.293 9.418 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.750 -7.400 8.300 1.00 0.00 H new ATOM 0 HG LEU B 69 7.771 -4.643 7.867 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.385 -5.638 5.683 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.964 -6.622 7.048 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.524 -7.128 6.134 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.376 -4.269 5.892 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.396 -5.691 6.321 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.428 -4.275 7.398 1.00 0.00 H new ATOM 1826 N HIS B 70 4.982 -8.268 10.083 1.00 0.00 N ATOM 1827 CA HIS B 70 4.614 -9.284 11.070 1.00 0.00 C ATOM 1828 C HIS B 70 5.532 -9.314 12.291 1.00 0.00 C ATOM 1829 O HIS B 70 5.045 -9.287 13.423 1.00 0.00 O ATOM 1830 CB HIS B 70 4.559 -10.664 10.419 1.00 0.00 C ATOM 1831 CG HIS B 70 3.370 -10.841 9.527 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.132 -10.285 9.775 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.249 -11.508 8.357 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.320 -10.626 8.768 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.948 -11.368 7.886 1.00 0.00 N ATOM 0 H HIS B 70 5.170 -8.640 9.152 1.00 0.00 H new ATOM 0 HA HIS B 70 3.625 -9.006 11.435 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.468 -10.823 9.839 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.540 -11.427 11.197 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.037 -12.061 7.867 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.284 -10.330 8.691 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.560 -11.762 7.029 1.00 0.00 H new ATOM 1843 N ALA B 71 6.839 -9.334 12.073 1.00 0.00 N ATOM 1844 CA ALA B 71 7.795 -9.398 13.181 1.00 0.00 C ATOM 1845 C ALA B 71 7.830 -8.099 13.982 1.00 0.00 C ATOM 1846 O ALA B 71 8.215 -8.088 15.149 1.00 0.00 O ATOM 1847 CB ALA B 71 9.183 -9.739 12.661 1.00 0.00 C ATOM 0 H ALA B 71 7.265 -9.307 11.147 1.00 0.00 H new ATOM 0 HA ALA B 71 7.462 -10.187 13.856 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.883 -9.783 13.495 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.156 -10.706 12.158 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.506 -8.973 11.956 1.00 0.00 H new ATOM 1853 N GLY B 72 7.390 -7.017 13.363 1.00 0.00 N ATOM 1854 CA GLY B 72 7.397 -5.725 14.024 1.00 0.00 C ATOM 1855 C GLY B 72 8.264 -4.748 13.270 1.00 0.00 C ATOM 1856 O GLY B 72 8.689 -3.723 13.798 1.00 0.00 O ATOM 0 H GLY B 72 7.026 -7.007 12.410 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.380 -5.340 14.092 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.765 -5.834 15.044 1.00 0.00 H new ATOM 1860 N ASP B 73 8.497 -5.089 12.017 1.00 0.00 N ATOM 1861 CA ASP B 73 9.309 -4.303 11.109 1.00 0.00 C ATOM 1862 C ASP B 73 8.511 -3.093 10.673 1.00 0.00 C ATOM 1863 O ASP B 73 7.285 -3.135 10.691 1.00 0.00 O ATOM 1864 CB ASP B 73 9.677 -5.156 9.890 1.00 0.00 C ATOM 1865 CG ASP B 73 9.877 -6.623 10.235 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.867 -7.305 10.558 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.026 -7.098 10.178 1.00 0.00 O ATOM 0 H ASP B 73 8.120 -5.937 11.594 1.00 0.00 H new ATOM 0 HA ASP B 73 10.225 -3.979 11.603 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.891 -5.068 9.140 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.590 -4.765 9.442 1.00 0.00 H new ATOM 1872 N THR B 74 9.173 -2.019 10.284 1.00 0.00 N ATOM 1873 CA THR B 74 8.445 -0.832 9.874 1.00 0.00 C ATOM 1874 C THR B 74 9.098 -0.128 8.693 1.00 0.00 C ATOM 1875 O THR B 74 10.303 0.131 8.693 1.00 0.00 O ATOM 1876 CB THR B 74 8.321 0.179 11.034 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.615 0.436 11.596 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.390 -0.326 12.124 1.00 0.00 C ATOM 0 H THR B 74 10.189 -1.943 10.243 1.00 0.00 H new ATOM 0 HA THR B 74 7.457 -1.180 9.574 1.00 0.00 H new ATOM 0 HB THR B 74 7.900 1.098 10.627 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.303 0.288 10.914 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.329 0.414 12.922 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.397 -0.491 11.706 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.775 -1.263 12.526 1.00 0.00 H new ATOM 1886 N THR B 75 8.287 0.177 7.695 1.00 0.00 N ATOM 1887 CA THR B 75 8.744 0.884 6.516 1.00 0.00 C ATOM 1888 C THR B 75 8.026 2.230 6.431 1.00 0.00 C ATOM 1889 O THR B 75 6.804 2.277 6.285 1.00 0.00 O ATOM 1890 CB THR B 75 8.474 0.069 5.240 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.513 -1.332 5.544 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.507 0.387 4.169 1.00 0.00 C ATOM 0 H THR B 75 7.295 -0.059 7.681 1.00 0.00 H new ATOM 0 HA THR B 75 9.820 1.037 6.596 1.00 0.00 H new ATOM 0 HB THR B 75 7.487 0.335 4.862 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.895 -1.821 4.785 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.297 -0.200 3.275 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.463 1.448 3.924 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.502 0.141 4.539 1.00 0.00 H new ATOM 1900 N ASN B 76 8.781 3.314 6.550 1.00 0.00 N ATOM 1901 CA ASN B 76 8.207 4.655 6.511 1.00 0.00 C ATOM 1902 C ASN B 76 8.145 5.208 5.095 1.00 0.00 C ATOM 1903 O ASN B 76 9.121 5.149 4.350 1.00 0.00 O ATOM 1904 CB ASN B 76 9.015 5.609 7.396 1.00 0.00 C ATOM 1905 CG ASN B 76 8.502 5.666 8.819 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.812 6.747 9.510 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.843 4.744 9.299 1.00 0.00 N flip ATOM 0 H ASN B 76 9.793 3.292 6.674 1.00 0.00 H new ATOM 0 HA ASN B 76 7.188 4.577 6.889 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.059 5.294 7.403 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.987 6.609 6.964 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.624 3.925 8.732 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.516 4.799 10.264 1.00 0.00 H new ATOM 1914 N PHE B 77 6.988 5.743 4.736 1.00 0.00 N ATOM 1915 CA PHE B 77 6.782 6.329 3.422 1.00 0.00 C ATOM 1916 C PHE B 77 6.242 7.746 3.564 1.00 0.00 C ATOM 1917 O PHE B 77 5.075 7.946 3.900 1.00 0.00 O ATOM 1918 CB PHE B 77 5.823 5.473 2.594 1.00 0.00 C ATOM 1919 CG PHE B 77 6.398 4.139 2.218 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.549 4.063 1.449 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.796 2.964 2.635 1.00 0.00 C ATOM 1922 CE1 PHE B 77 8.088 2.840 1.105 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.330 1.737 2.293 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.478 1.676 1.525 1.00 0.00 C ATOM 0 H PHE B 77 6.170 5.783 5.344 1.00 0.00 H new ATOM 0 HA PHE B 77 7.739 6.366 2.902 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.903 5.319 3.159 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.553 6.014 1.687 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.029 4.971 1.115 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.899 3.007 3.234 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.987 2.794 0.508 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.852 0.827 2.625 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.897 0.718 1.254 1.00 0.00 H new ATOM 1934 N HIS B 78 7.106 8.715 3.320 1.00 0.00 N ATOM 1935 CA HIS B 78 6.752 10.124 3.424 1.00 0.00 C ATOM 1936 C HIS B 78 6.170 10.624 2.114 1.00 0.00 C ATOM 1937 O HIS B 78 6.814 10.551 1.077 1.00 0.00 O ATOM 1938 CB HIS B 78 8.008 10.926 3.804 1.00 0.00 C ATOM 1939 CG HIS B 78 7.877 12.426 3.758 1.00 0.00 C ATOM 1940 ND1 HIS B 78 8.959 13.280 3.734 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.776 13.224 3.738 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.496 14.534 3.700 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.178 14.555 3.701 1.00 0.00 N ATOM 0 H HIS B 78 8.074 8.550 3.044 1.00 0.00 H new ATOM 0 HA HIS B 78 5.993 10.255 4.195 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.306 10.639 4.812 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.818 10.632 3.136 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.753 12.879 3.749 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.120 15.415 3.675 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.576 15.378 3.679 1.00 0.00 H new ATOM 1951 N PHE B 79 4.952 11.123 2.160 1.00 0.00 N ATOM 1952 CA PHE B 79 4.318 11.648 0.968 1.00 0.00 C ATOM 1953 C PHE B 79 4.812 13.067 0.721 1.00 0.00 C ATOM 1954 O PHE B 79 4.176 14.040 1.123 1.00 0.00 O ATOM 1955 CB PHE B 79 2.795 11.608 1.108 1.00 0.00 C ATOM 1956 CG PHE B 79 2.244 10.212 1.212 1.00 0.00 C ATOM 1957 CD1 PHE B 79 2.135 9.585 2.444 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.842 9.526 0.079 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.633 8.301 2.541 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.341 8.243 0.171 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.237 7.629 1.403 1.00 0.00 C ATOM 0 H PHE B 79 4.384 11.176 3.005 1.00 0.00 H new ATOM 0 HA PHE B 79 4.584 11.029 0.111 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.503 12.173 1.993 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.345 12.106 0.249 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.446 10.106 3.338 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.921 10.000 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.551 7.824 3.507 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.030 7.719 -0.721 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.846 6.625 1.476 1.00 0.00 H new ATOM 1971 N SER B 80 5.963 13.171 0.064 1.00 0.00 N ATOM 1972 CA SER B 80 6.582 14.454 -0.237 1.00 0.00 C ATOM 1973 C SER B 80 5.908 15.139 -1.425 1.00 0.00 C ATOM 1974 O SER B 80 6.481 16.034 -2.046 1.00 0.00 O ATOM 1975 CB SER B 80 8.077 14.253 -0.507 1.00 0.00 C ATOM 1976 OG SER B 80 8.334 12.968 -1.054 1.00 0.00 O ATOM 0 H SER B 80 6.492 12.367 -0.274 1.00 0.00 H new ATOM 0 HA SER B 80 6.456 15.106 0.627 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.431 15.021 -1.195 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.636 14.374 0.421 1.00 0.00 H new ATOM 0 HG SER B 80 9.020 13.040 -1.750 1.00 0.00 H new ATOM 1982 N ASN B 81 4.697 14.707 -1.740 1.00 0.00 N ATOM 1983 CA ASN B 81 3.927 15.283 -2.830 1.00 0.00 C ATOM 1984 C ASN B 81 3.081 16.426 -2.289 1.00 0.00 C ATOM 1985 O ASN B 81 1.961 16.219 -1.840 1.00 0.00 O ATOM 1986 CB ASN B 81 3.043 14.208 -3.476 1.00 0.00 C ATOM 1987 CG ASN B 81 2.125 14.755 -4.554 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.419 15.766 -5.192 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.009 14.078 -4.770 1.00 0.00 N ATOM 0 H ASN B 81 4.222 13.950 -1.249 1.00 0.00 H new ATOM 0 HA ASN B 81 4.600 15.669 -3.595 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.679 13.435 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.441 13.730 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.355 14.389 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.803 13.245 -4.219 1.00 0.00 H new ATOM 1996 N GLU B 82 3.629 17.630 -2.342 1.00 0.00 N ATOM 1997 CA GLU B 82 2.964 18.824 -1.825 1.00 0.00 C ATOM 1998 C GLU B 82 1.566 19.015 -2.418 1.00 0.00 C ATOM 1999 O GLU B 82 0.685 19.578 -1.771 1.00 0.00 O ATOM 2000 CB GLU B 82 3.819 20.066 -2.113 1.00 0.00 C ATOM 2001 CG GLU B 82 5.255 19.967 -1.603 1.00 0.00 C ATOM 2002 CD GLU B 82 6.210 19.352 -2.614 1.00 0.00 C ATOM 2003 OE1 GLU B 82 7.431 19.569 -2.498 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.750 18.631 -3.526 1.00 0.00 O ATOM 0 H GLU B 82 4.549 17.811 -2.745 1.00 0.00 H new ATOM 0 HA GLU B 82 2.850 18.689 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.838 20.239 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU B 82 3.343 20.935 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.609 20.963 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.269 19.371 -0.691 1.00 0.00 H new ATOM 2011 N SER B 83 1.371 18.534 -3.636 1.00 0.00 N ATOM 2012 CA SER B 83 0.093 18.664 -4.318 1.00 0.00 C ATOM 2013 C SER B 83 -1.033 17.906 -3.600 1.00 0.00 C ATOM 2014 O SER B 83 -2.020 18.507 -3.176 1.00 0.00 O ATOM 2015 CB SER B 83 0.233 18.163 -5.755 1.00 0.00 C ATOM 2016 OG SER B 83 1.592 18.181 -6.164 1.00 0.00 O ATOM 0 H SER B 83 2.087 18.047 -4.175 1.00 0.00 H new ATOM 0 HA SER B 83 -0.182 19.719 -4.314 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.161 17.150 -5.832 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.361 18.788 -6.422 1.00 0.00 H new ATOM 0 HG SER B 83 1.989 17.297 -6.019 1.00 0.00 H new ATOM 2022 N THR B 84 -0.888 16.594 -3.460 1.00 0.00 N ATOM 2023 CA THR B 84 -1.923 15.787 -2.822 1.00 0.00 C ATOM 2024 C THR B 84 -1.357 14.826 -1.773 1.00 0.00 C ATOM 2025 O THR B 84 -1.798 13.685 -1.678 1.00 0.00 O ATOM 2026 CB THR B 84 -2.697 14.984 -3.885 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.814 14.616 -4.954 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.861 15.794 -4.437 1.00 0.00 C ATOM 0 H THR B 84 -0.072 16.069 -3.776 1.00 0.00 H new ATOM 0 HA THR B 84 -2.592 16.478 -2.309 1.00 0.00 H new ATOM 0 HB THR B 84 -3.095 14.085 -3.414 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.310 14.104 -5.627 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.391 15.205 -5.185 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.543 16.050 -3.626 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.483 16.708 -4.895 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.414 15.305 -0.965 1.00 0.00 N ATOM 2037 CA ALA B 85 0.231 14.484 0.070 1.00 0.00 C ATOM 2038 C ALA B 85 -0.776 13.797 0.979 1.00 0.00 C ATOM 2039 O ALA B 85 -0.622 12.627 1.323 1.00 0.00 O ATOM 2040 CB ALA B 85 1.170 15.333 0.914 1.00 0.00 C ATOM 0 H ALA B 85 -0.074 16.266 -1.004 1.00 0.00 H new ATOM 0 HA ALA B 85 0.794 13.710 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.639 14.710 1.675 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.940 15.768 0.276 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.605 16.131 1.396 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.815 14.523 1.346 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.836 13.991 2.236 1.00 0.00 C ATOM 2048 C VAL B 86 -3.720 13.002 1.488 1.00 0.00 C ATOM 2049 O VAL B 86 -3.960 11.888 1.946 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.704 15.125 2.825 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.852 14.570 3.653 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.867 16.069 3.666 1.00 0.00 C ATOM 0 H VAL B 86 -1.977 15.483 1.043 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.334 13.479 3.057 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.123 15.681 1.987 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.443 15.394 4.053 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.483 13.942 3.025 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.453 13.976 4.476 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.502 16.858 4.069 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.410 15.517 4.487 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.086 16.512 3.048 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.154 13.412 0.308 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.021 12.596 -0.532 1.00 0.00 C ATOM 2064 C LYS B 87 -4.356 11.265 -0.900 1.00 0.00 C ATOM 2065 O LYS B 87 -4.968 10.207 -0.764 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.411 13.386 -1.787 1.00 0.00 C ATOM 2067 CG LYS B 87 -5.945 12.535 -2.928 1.00 0.00 C ATOM 2068 CD LYS B 87 -4.868 12.285 -3.968 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.379 11.413 -5.104 1.00 0.00 C ATOM 2070 NZ LYS B 87 -4.340 11.179 -6.139 1.00 0.00 N ATOM 0 H LYS B 87 -3.917 14.318 -0.096 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.924 12.355 0.030 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.167 14.123 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -4.539 13.937 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.308 11.584 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -6.795 13.034 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.519 13.237 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -4.011 11.804 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -5.713 10.456 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.247 11.887 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -4.790 10.838 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -3.837 12.068 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -3.664 10.466 -5.797 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.107 11.318 -1.362 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.387 10.103 -1.733 1.00 0.00 C ATOM 2086 C GLU B 88 -2.180 9.237 -0.497 1.00 0.00 C ATOM 2087 O GLU B 88 -2.217 8.009 -0.572 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.039 10.431 -2.389 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.145 11.347 -3.600 1.00 0.00 C ATOM 2090 CD GLU B 88 -1.104 10.598 -4.917 1.00 0.00 C ATOM 2091 OE1 GLU B 88 -0.030 10.567 -5.555 1.00 0.00 O ATOM 2092 OE2 GLU B 88 -2.148 10.056 -5.334 1.00 0.00 O ATOM 0 H GLU B 88 -2.578 12.181 -1.487 1.00 0.00 H new ATOM 0 HA GLU B 88 -2.984 9.557 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.391 10.899 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.558 9.501 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.074 11.913 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -0.329 12.070 -3.574 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.978 9.893 0.644 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.799 9.194 1.908 1.00 0.00 C ATOM 2101 C ARG B 89 -3.040 8.375 2.208 1.00 0.00 C ATOM 2102 O ARG B 89 -2.952 7.199 2.544 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.547 10.195 3.044 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.210 9.559 4.390 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.454 9.223 5.209 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.492 10.256 5.123 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.805 11.093 6.115 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.119 11.083 7.250 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.809 11.940 5.967 1.00 0.00 N ATOM 0 H ARG B 89 -1.935 10.910 0.716 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.934 8.535 1.831 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.729 10.855 2.754 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.433 10.819 3.164 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.633 8.650 4.223 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.577 10.239 4.960 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.864 8.274 4.864 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.170 9.087 6.252 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.009 10.340 4.248 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.344 10.431 7.372 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.367 11.727 8.001 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.342 11.953 5.097 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.051 12.581 6.723 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.193 9.012 2.074 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.469 8.360 2.331 1.00 0.00 C ATOM 2125 C ASP B 90 -5.726 7.253 1.324 1.00 0.00 C ATOM 2126 O ASP B 90 -6.247 6.200 1.684 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.611 9.374 2.310 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.732 10.113 3.626 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.455 9.623 4.518 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.079 11.163 3.780 1.00 0.00 O ATOM 0 H ASP B 90 -4.272 9.987 1.786 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.422 7.914 3.325 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.446 10.090 1.505 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.548 8.861 2.094 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.346 7.482 0.070 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.526 6.486 -0.971 1.00 0.00 C ATOM 2137 C ALA B 91 -4.759 5.220 -0.619 1.00 0.00 C ATOM 2138 O ALA B 91 -5.304 4.119 -0.656 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.072 7.033 -2.317 1.00 0.00 C ATOM 0 H ALA B 91 -4.912 8.350 -0.246 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.586 6.242 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.214 6.273 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.659 7.916 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.017 7.302 -2.263 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.491 5.390 -0.261 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.643 4.267 0.120 1.00 0.00 C ATOM 2147 C VAL B 92 -3.129 3.659 1.431 1.00 0.00 C ATOM 2148 O VAL B 92 -3.157 2.444 1.592 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.168 4.703 0.282 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.309 3.562 0.805 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.613 5.217 -1.033 1.00 0.00 C ATOM 0 H VAL B 92 -3.027 6.298 -0.227 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.703 3.526 -0.677 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.141 5.511 1.013 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.722 3.900 0.908 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.684 3.240 1.777 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.349 2.727 0.106 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.426 5.518 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.666 4.428 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.199 6.074 -1.365 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.550 4.524 2.340 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.020 4.113 3.654 1.00 0.00 C ATOM 2163 C LYS B 93 -5.256 3.230 3.549 1.00 0.00 C ATOM 2164 O LYS B 93 -5.239 2.077 3.980 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.328 5.355 4.493 1.00 0.00 C ATOM 2166 CG LYS B 93 -4.672 5.060 5.940 1.00 0.00 C ATOM 2167 CD LYS B 93 -6.101 5.464 6.270 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.306 6.956 6.104 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.661 7.279 5.571 1.00 0.00 N ATOM 0 H LYS B 93 -3.576 5.532 2.188 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.236 3.529 4.136 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.466 6.021 4.465 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.160 5.891 4.036 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.540 3.996 6.136 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.982 5.593 6.594 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.792 4.926 5.621 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.335 5.175 7.295 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.168 7.450 7.066 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.547 7.353 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.753 8.309 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.791 6.815 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.385 6.938 6.235 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.307 3.777 2.953 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.581 3.080 2.790 1.00 0.00 C ATOM 2185 C ASP B 94 -7.454 1.817 1.954 1.00 0.00 C ATOM 2186 O ASP B 94 -8.087 0.796 2.241 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.618 4.010 2.166 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.426 4.753 3.210 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.841 5.565 3.963 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.651 4.500 3.300 1.00 0.00 O ATOM 0 H ASP B 94 -6.302 4.721 2.566 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.905 2.780 3.786 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.115 4.729 1.519 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.291 3.429 1.535 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.622 1.876 0.940 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.432 0.730 0.065 1.00 0.00 C ATOM 2197 C LEU B 95 -5.592 -0.318 0.768 1.00 0.00 C ATOM 2198 O LEU B 95 -5.727 -1.504 0.494 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.787 1.148 -1.258 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.917 0.134 -2.396 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.382 -0.147 -2.701 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.202 0.637 -3.639 1.00 0.00 C ATOM 0 H LEU B 95 -6.067 2.697 0.697 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.408 0.303 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.232 2.089 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.728 1.340 -1.083 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.449 -0.798 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.452 -0.871 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.868 -0.551 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.876 0.779 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.304 -0.096 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.643 1.583 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.146 0.786 -3.416 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.721 0.113 1.671 1.00 0.00 N ATOM 2215 CA LEU B 96 -3.922 -0.832 2.426 1.00 0.00 C ATOM 2216 C LEU B 96 -4.825 -1.585 3.379 1.00 0.00 C ATOM 2217 O LEU B 96 -4.838 -2.805 3.369 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.782 -0.158 3.163 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.485 -0.082 2.367 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.409 0.605 3.175 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.032 -1.472 1.953 1.00 0.00 C ATOM 0 H LEU B 96 -4.554 1.094 1.893 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.460 -1.532 1.730 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.087 0.852 3.437 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.595 -0.697 4.092 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.668 0.504 1.466 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.511 0.651 2.592 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.731 1.616 3.425 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.229 0.045 4.092 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.104 -1.398 1.385 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.866 -2.080 2.842 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.800 -1.936 1.334 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.587 -0.857 4.207 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.558 -1.501 5.096 1.00 0.00 C ATOM 2235 C GLN B 97 -7.481 -2.431 4.299 1.00 0.00 C ATOM 2236 O GLN B 97 -8.167 -3.278 4.862 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.365 -0.470 5.888 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.534 0.857 5.203 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.979 1.963 6.140 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.656 2.902 5.738 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.628 1.848 7.394 1.00 0.00 N ATOM 0 H GLN B 97 -5.550 0.160 4.278 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.005 -2.102 5.818 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.352 -0.884 6.097 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -6.877 -0.308 6.849 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.590 1.141 4.739 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.265 0.754 4.401 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.064 1.053 7.695 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.918 2.553 8.072 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.548 -2.193 2.997 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.290 -3.046 2.080 1.00 0.00 C ATOM 2252 C GLN B 98 -7.491 -4.262 1.604 1.00 0.00 C ATOM 2253 O GLN B 98 -7.889 -5.400 1.837 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.766 -2.244 0.874 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.148 -1.712 1.082 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.060 -2.825 1.534 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.893 -2.535 2.495 1.00 0.00 O flip ATOM 2258 NE2 GLN B 98 -10.970 -3.956 1.058 1.00 0.00 N flip ATOM 0 H GLN B 98 -7.089 -1.402 2.546 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.145 -3.424 2.641 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.080 -1.417 0.692 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.748 -2.875 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.133 -0.916 1.827 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.523 -1.275 0.156 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.305 -4.142 0.307 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.560 -4.708 1.415 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.377 -4.018 0.940 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.554 -5.088 0.387 1.00 0.00 C ATOM 2269 C LEU B 99 -4.836 -5.911 1.455 1.00 0.00 C ATOM 2270 O LEU B 99 -4.655 -7.113 1.283 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.541 -4.503 -0.592 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.149 -3.972 -1.890 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.196 -3.004 -2.571 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.497 -5.120 -2.823 1.00 0.00 C ATOM 0 H LEU B 99 -6.015 -3.080 0.767 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.228 -5.772 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.004 -3.693 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.806 -5.270 -0.837 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.066 -3.436 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.647 -2.637 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.994 -2.164 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.262 -3.516 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.929 -4.724 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.594 -5.683 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.218 -5.778 -2.338 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.444 -5.275 2.552 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.729 -5.967 3.624 1.00 0.00 C ATOM 2288 C LEU B 100 -4.482 -7.217 4.110 1.00 0.00 C ATOM 2289 O LEU B 100 -3.947 -8.317 4.017 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.409 -5.009 4.786 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.209 -4.092 4.523 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.027 -3.047 5.630 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -0.953 -4.926 4.360 1.00 0.00 C ATOM 0 H LEU B 100 -4.607 -4.283 2.725 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.783 -6.314 3.209 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.286 -4.394 4.989 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.216 -5.595 5.684 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.402 -3.544 3.600 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.165 -2.420 5.401 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.920 -2.426 5.694 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.866 -3.551 6.583 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.103 -4.270 4.173 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.776 -5.499 5.270 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.076 -5.609 3.519 1.00 0.00 H new