USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=29 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 14 LYS NZ :NH3+ -152:sc= 0.027! (180deg=-1.07!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.84 K(o=4.1,f=-16!) USER MOD Set 1.3: B 83 SER OG : rot -67:sc= 1 USER MOD Set 1.4: B 84 THR OG1 : rot 62:sc= 1.25 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.534 F(o=-5.1,f=-3.7) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -4.19! C(o=-5.1!,f=-3.7!) USER MOD Set 3.1: B 56 SER OG : rot 128:sc= 1.03 USER MOD Set 3.2: B 62 LYS NZ :NH3+ -165:sc= 0.687 (180deg=-0.484) USER MOD Set 3.3: B 64 GLN : amide:sc= -0.596! C(o=-1.1!,f=-7.8!) USER MOD Set 3.4: B 78 HIS :FLIP no HD1:sc= -2.18 F(o=-2.5!,f=-1.1) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 180:sc= 0.288 (180deg=-0.023) USER MOD Set 4.2: B 52 CYS SG : rot 180:sc= 0.286 USER MOD Set 4.3: B 54 LYS NZ :NH3+ 128:sc= 0.515 (180deg=-0.982) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -1.66! K(o=-0.8!,f=-2.2) USER MOD Set 5.2: B 75 THR OG1 : rot -136:sc= 0.858 USER MOD Set 6.1: A 414 LYS NZ :NH3+ 152:sc= 2.3 (180deg=-0.212) USER MOD Set 6.2: B 97 GLN : amide:sc= -6.69! C(o=-4.4!,f=-14!) USER MOD Single : B 13 LYS NZ :NH3+ -139:sc= 2.35 (180deg=1.74) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.233 F(o=-1.8!,f=-0.23) USER MOD Single : B 18 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0.984) USER MOD Single : B 19 LYS NZ :NH3+ -150:sc= -0.483 (180deg=-1.93!) USER MOD Single : B 20 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 158:sc= -0.595 (180deg=-1.47!) USER MOD Single : B 42 THR OG1 : rot -8:sc= -0.406 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -157:sc= -0.204 (180deg=-0.826) USER MOD Single : B 47 TYR OH : rot 151:sc= 0.868 USER MOD Single : B 53 GLN : amide:sc= -3.62! C(o=-3.6!,f=-8.6!) USER MOD Single : B 60 LYS NZ :NH3+ -164:sc= -0.904 (180deg=-1.22) USER MOD Single : B 70 HIS : no HD1:sc= 0.0434 K(o=0.043,f=-2.8!) USER MOD Single : B 74 THR OG1 : rot 38:sc= 0.0643 USER MOD Single : B 80 SER OG : rot 45:sc= 1.47 USER MOD Single : B 87 LYS NZ :NH3+ -175:sc= -0.834 (180deg=-0.939) USER MOD Single : B 93 LYS NZ :NH3+ -168:sc= 2.19 (180deg=1.75) USER MOD Single : B 98 GLN :FLIP amide:sc= -0.599 F(o=-1.3,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.119 9.017 11.891 1.00 0.00 N ATOM 230 CA ASP A 405 9.595 7.660 11.928 1.00 0.00 C ATOM 231 C ASP A 405 8.652 7.476 13.112 1.00 0.00 C ATOM 232 O ASP A 405 8.470 6.360 13.602 1.00 0.00 O ATOM 233 CB ASP A 405 10.742 6.640 12.025 1.00 0.00 C ATOM 234 CG ASP A 405 11.768 6.766 10.907 1.00 0.00 C ATOM 235 OD1 ASP A 405 12.968 6.933 11.215 1.00 0.00 O ATOM 236 OD2 ASP A 405 11.384 6.693 9.723 1.00 0.00 O ATOM 0 HA ASP A 405 9.042 7.491 11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.245 6.763 12.984 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.324 5.634 12.011 1.00 0.00 H new ATOM 241 N GLU A 406 8.026 8.560 13.557 1.00 0.00 N ATOM 242 CA GLU A 406 7.130 8.482 14.699 1.00 0.00 C ATOM 243 C GLU A 406 5.800 9.180 14.479 1.00 0.00 C ATOM 244 O GLU A 406 5.550 9.786 13.437 1.00 0.00 O ATOM 245 CB GLU A 406 7.788 9.069 15.948 1.00 0.00 C ATOM 246 CG GLU A 406 8.733 10.226 15.672 1.00 0.00 C ATOM 247 CD GLU A 406 8.026 11.553 15.489 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.647 12.492 14.960 1.00 0.00 O ATOM 249 OE2 GLU A 406 6.844 11.660 15.851 1.00 0.00 O ATOM 0 H GLU A 406 8.122 9.490 13.149 1.00 0.00 H new ATOM 0 HA GLU A 406 6.928 7.419 14.834 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.008 9.407 16.630 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.339 8.279 16.459 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.441 10.311 16.496 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.313 10.005 14.776 1.00 0.00 H new ATOM 256 N ASP A 407 4.961 9.047 15.505 1.00 0.00 N ATOM 257 CA ASP A 407 3.632 9.631 15.572 1.00 0.00 C ATOM 258 C ASP A 407 2.636 8.908 14.690 1.00 0.00 C ATOM 259 O ASP A 407 1.466 9.234 14.685 1.00 0.00 O ATOM 260 CB ASP A 407 3.637 11.119 15.254 1.00 0.00 C ATOM 261 CG ASP A 407 2.456 11.850 15.866 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.248 11.728 17.091 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.747 12.560 15.120 1.00 0.00 O ATOM 0 H ASP A 407 5.201 8.510 16.339 1.00 0.00 H new ATOM 0 HA ASP A 407 3.311 9.509 16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.563 11.562 15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 407 3.624 11.256 14.173 1.00 0.00 H new ATOM 268 N PHE A 408 3.067 7.842 14.048 1.00 0.00 N ATOM 269 CA PHE A 408 2.195 7.133 13.124 1.00 0.00 C ATOM 270 C PHE A 408 1.073 6.424 13.851 1.00 0.00 C ATOM 271 O PHE A 408 1.289 5.621 14.761 1.00 0.00 O ATOM 272 CB PHE A 408 2.982 6.126 12.277 1.00 0.00 C ATOM 273 CG PHE A 408 3.937 6.759 11.315 1.00 0.00 C ATOM 274 CD1 PHE A 408 5.095 7.360 11.762 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.669 6.763 9.960 1.00 0.00 C ATOM 276 CE1 PHE A 408 5.964 7.959 10.881 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.536 7.358 9.072 1.00 0.00 C ATOM 278 CZ PHE A 408 5.684 7.959 9.534 1.00 0.00 C ATOM 0 H PHE A 408 4.003 7.448 14.144 1.00 0.00 H new ATOM 0 HA PHE A 408 1.759 7.882 12.463 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.536 5.463 12.941 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.279 5.506 11.721 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.322 7.360 12.818 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.768 6.294 9.593 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.865 8.429 11.246 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.316 7.353 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.365 8.430 8.840 1.00 0.00 H new ATOM 288 N VAL A 409 -0.130 6.728 13.404 1.00 0.00 N ATOM 289 CA VAL A 409 -1.326 6.165 13.951 1.00 0.00 C ATOM 290 C VAL A 409 -1.603 4.870 13.255 1.00 0.00 C ATOM 291 O VAL A 409 -1.722 4.826 12.036 1.00 0.00 O ATOM 292 CB VAL A 409 -2.494 7.158 13.827 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.317 8.181 14.875 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.531 7.857 12.508 1.00 0.00 C ATOM 0 H VAL A 409 -0.295 7.383 12.640 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.202 5.966 15.015 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.423 6.597 13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.130 8.905 14.818 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.325 7.703 15.855 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.365 8.692 14.728 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.377 8.543 12.484 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.606 8.416 12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.636 7.122 11.710 1.00 0.00 H new ATOM 304 N GLU A 410 -1.652 3.811 14.031 1.00 0.00 N ATOM 305 CA GLU A 410 -1.848 2.499 13.478 1.00 0.00 C ATOM 306 C GLU A 410 -3.105 2.428 12.639 1.00 0.00 C ATOM 307 O GLU A 410 -4.210 2.711 13.101 1.00 0.00 O ATOM 308 CB GLU A 410 -1.877 1.429 14.563 1.00 0.00 C ATOM 309 CG GLU A 410 -2.048 0.029 14.000 1.00 0.00 C ATOM 310 CD GLU A 410 -1.873 -1.048 15.043 1.00 0.00 C ATOM 311 OE1 GLU A 410 -2.887 -1.601 15.508 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.711 -1.352 15.384 1.00 0.00 O ATOM 0 H GLU A 410 -1.558 3.837 15.046 1.00 0.00 H new ATOM 0 HA GLU A 410 -0.994 2.303 12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -0.952 1.475 15.138 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -2.693 1.640 15.255 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -3.039 -0.060 13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.325 -0.126 13.199 1.00 0.00 H new ATOM 319 N VAL A 411 -2.899 2.060 11.401 1.00 0.00 N ATOM 320 CA VAL A 411 -3.958 1.918 10.453 1.00 0.00 C ATOM 321 C VAL A 411 -4.403 0.464 10.406 1.00 0.00 C ATOM 322 O VAL A 411 -3.619 -0.433 10.059 1.00 0.00 O ATOM 323 CB VAL A 411 -3.536 2.378 9.053 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.765 2.599 8.209 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.719 3.626 9.128 1.00 0.00 C ATOM 0 H VAL A 411 -1.975 1.849 11.024 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.784 2.553 10.773 1.00 0.00 H new ATOM 0 HB VAL A 411 -2.919 1.604 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.468 2.926 7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.326 1.668 8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.391 3.363 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.431 3.933 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.305 4.417 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.823 3.440 9.721 1.00 0.00 H new ATOM 335 N PRO A 412 -5.650 0.219 10.805 1.00 0.00 N ATOM 336 CA PRO A 412 -6.246 -1.114 10.821 1.00 0.00 C ATOM 337 C PRO A 412 -6.819 -1.493 9.465 1.00 0.00 C ATOM 338 O PRO A 412 -6.843 -0.676 8.545 1.00 0.00 O ATOM 339 CB PRO A 412 -7.377 -0.941 11.828 1.00 0.00 C ATOM 340 CG PRO A 412 -7.841 0.452 11.576 1.00 0.00 C ATOM 341 CD PRO A 412 -6.595 1.242 11.295 1.00 0.00 C ATOM 0 HA PRO A 412 -5.529 -1.898 11.065 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.174 -1.667 11.668 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.028 -1.071 12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.529 0.490 10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.373 0.851 12.439 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.770 2.018 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.222 1.738 12.191 1.00 0.00 H new ATOM 349 N GLU A 413 -7.257 -2.731 9.343 1.00 0.00 N ATOM 350 CA GLU A 413 -7.865 -3.211 8.116 1.00 0.00 C ATOM 351 C GLU A 413 -9.352 -2.855 8.127 1.00 0.00 C ATOM 352 O GLU A 413 -9.928 -2.629 9.192 1.00 0.00 O ATOM 353 CB GLU A 413 -7.670 -4.722 7.972 1.00 0.00 C ATOM 354 CG GLU A 413 -6.310 -5.215 8.445 1.00 0.00 C ATOM 355 CD GLU A 413 -6.308 -5.587 9.915 1.00 0.00 C ATOM 356 OE1 GLU A 413 -6.093 -4.695 10.760 1.00 0.00 O ATOM 357 OE2 GLU A 413 -6.548 -6.771 10.226 1.00 0.00 O ATOM 0 H GLU A 413 -7.203 -3.428 10.085 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.385 -2.734 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.448 -5.235 8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.802 -4.998 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.015 -6.082 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.564 -4.440 8.268 1.00 0.00 H new ATOM 364 N LYS A 414 -9.967 -2.781 6.955 1.00 0.00 N ATOM 365 CA LYS A 414 -11.379 -2.423 6.871 1.00 0.00 C ATOM 366 C LYS A 414 -12.244 -3.553 6.344 1.00 0.00 C ATOM 367 O LYS A 414 -13.310 -3.818 6.898 1.00 0.00 O ATOM 368 CB LYS A 414 -11.558 -1.185 5.999 1.00 0.00 C ATOM 369 CG LYS A 414 -11.779 0.077 6.808 1.00 0.00 C ATOM 370 CD LYS A 414 -10.857 1.190 6.364 1.00 0.00 C ATOM 371 CE LYS A 414 -11.487 2.056 5.292 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.031 3.469 5.382 1.00 0.00 N ATOM 0 H LYS A 414 -9.518 -2.962 6.057 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.710 -2.213 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.676 -1.058 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.406 -1.336 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.815 0.399 6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.614 -0.134 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.596 1.809 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.929 0.762 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.238 1.656 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.572 2.018 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.068 3.907 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.651 3.993 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.054 3.497 5.738 1.00 0.00 H new ATOM 786 N VAL B 8 -0.688 -2.640 -10.980 1.00 0.00 N ATOM 787 CA VAL B 8 -0.598 -1.360 -10.299 1.00 0.00 C ATOM 788 C VAL B 8 -1.977 -0.727 -10.182 1.00 0.00 C ATOM 789 O VAL B 8 -2.608 -0.399 -11.185 1.00 0.00 O ATOM 790 CB VAL B 8 0.343 -0.385 -11.036 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.555 0.876 -10.214 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.674 -1.054 -11.347 1.00 0.00 C ATOM 0 HA VAL B 8 -0.189 -1.550 -9.307 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.125 -0.104 -11.979 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.221 1.552 -10.750 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.404 1.368 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.999 0.614 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.323 -0.349 -11.867 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.150 -1.368 -10.418 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.504 -1.925 -11.980 1.00 0.00 H new ATOM 802 N LEU B 9 -2.441 -0.571 -8.953 1.00 0.00 N ATOM 803 CA LEU B 9 -3.749 0.014 -8.698 1.00 0.00 C ATOM 804 C LEU B 9 -3.613 1.461 -8.240 1.00 0.00 C ATOM 805 O LEU B 9 -4.488 2.292 -8.488 1.00 0.00 O ATOM 806 CB LEU B 9 -4.494 -0.787 -7.625 1.00 0.00 C ATOM 807 CG LEU B 9 -4.247 -2.298 -7.634 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.755 -2.922 -6.345 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.913 -2.950 -8.835 1.00 0.00 C ATOM 0 H LEU B 9 -1.930 -0.842 -8.113 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.315 -0.014 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.213 -0.397 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.563 -0.611 -7.743 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.173 -2.468 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.573 -3.997 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.232 -2.481 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.825 -2.737 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.723 -4.023 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.988 -2.771 -8.797 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.507 -2.524 -9.752 1.00 0.00 H new ATOM 821 N LEU B 10 -2.506 1.765 -7.577 1.00 0.00 N ATOM 822 CA LEU B 10 -2.287 3.111 -7.067 1.00 0.00 C ATOM 823 C LEU B 10 -0.879 3.606 -7.370 1.00 0.00 C ATOM 824 O LEU B 10 0.089 2.855 -7.262 1.00 0.00 O ATOM 825 CB LEU B 10 -2.548 3.133 -5.566 1.00 0.00 C ATOM 826 CG LEU B 10 -2.954 4.491 -5.005 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.275 4.953 -5.604 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.056 4.422 -3.496 1.00 0.00 C ATOM 0 H LEU B 10 -1.753 1.106 -7.381 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.981 3.785 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.333 2.412 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.648 2.798 -5.050 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.187 5.217 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.543 5.924 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.174 5.037 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.055 4.229 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.347 5.397 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.805 3.681 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.090 4.137 -3.079 1.00 0.00 H new ATOM 840 N ILE B 11 -0.777 4.876 -7.749 1.00 0.00 N ATOM 841 CA ILE B 11 0.505 5.487 -8.074 1.00 0.00 C ATOM 842 C ILE B 11 0.689 6.801 -7.322 1.00 0.00 C ATOM 843 O ILE B 11 0.037 7.802 -7.628 1.00 0.00 O ATOM 844 CB ILE B 11 0.635 5.766 -9.589 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.468 4.474 -10.392 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.980 6.415 -9.898 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.462 4.687 -11.889 1.00 0.00 C ATOM 0 H ILE B 11 -1.575 5.506 -7.839 1.00 0.00 H new ATOM 0 HA ILE B 11 1.275 4.777 -7.773 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.158 6.455 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.276 3.789 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.464 3.992 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE B 11 2.055 6.605 -10.969 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.062 7.357 -9.356 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.785 5.748 -9.590 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.340 3.728 -12.392 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.363 5.346 -12.159 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.405 5.140 -12.196 1.00 0.00 H new ATOM 859 N VAL B 12 1.568 6.790 -6.340 1.00 0.00 N ATOM 860 CA VAL B 12 1.866 7.975 -5.550 1.00 0.00 C ATOM 861 C VAL B 12 3.184 8.570 -6.024 1.00 0.00 C ATOM 862 O VAL B 12 4.101 7.833 -6.373 1.00 0.00 O ATOM 863 CB VAL B 12 1.952 7.642 -4.050 1.00 0.00 C ATOM 864 CG1 VAL B 12 2.121 8.905 -3.227 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.718 6.877 -3.608 1.00 0.00 C ATOM 0 H VAL B 12 2.097 5.962 -6.065 1.00 0.00 H new ATOM 0 HA VAL B 12 1.059 8.695 -5.685 1.00 0.00 H new ATOM 0 HB VAL B 12 2.827 7.013 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.179 8.645 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL B 12 3.037 9.415 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.268 9.564 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.793 6.648 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.170 7.484 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.643 5.949 -4.174 1.00 0.00 H new ATOM 875 N LYS B 13 3.279 9.890 -6.036 1.00 0.00 N ATOM 876 CA LYS B 13 4.486 10.559 -6.514 1.00 0.00 C ATOM 877 C LYS B 13 5.191 11.319 -5.396 1.00 0.00 C ATOM 878 O LYS B 13 4.573 11.657 -4.386 1.00 0.00 O ATOM 879 CB LYS B 13 4.138 11.524 -7.655 1.00 0.00 C ATOM 880 CG LYS B 13 3.874 10.842 -8.994 1.00 0.00 C ATOM 881 CD LYS B 13 2.552 10.086 -9.004 1.00 0.00 C ATOM 882 CE LYS B 13 1.361 11.025 -8.875 1.00 0.00 C ATOM 883 NZ LYS B 13 0.331 10.494 -7.940 1.00 0.00 N ATOM 0 H LYS B 13 2.541 10.520 -5.723 1.00 0.00 H new ATOM 0 HA LYS B 13 5.166 9.789 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.256 12.099 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.956 12.234 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.868 11.591 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.688 10.151 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.467 9.516 -9.929 1.00 0.00 H new ATOM 0 HD3 LYS B 13 2.538 9.367 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.703 11.998 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS B 13 0.914 11.180 -9.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -0.616 10.669 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.470 9.471 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.419 10.971 -7.020 1.00 0.00 H new ATOM 897 N LYS B 14 6.483 11.585 -5.607 1.00 0.00 N ATOM 898 CA LYS B 14 7.322 12.316 -4.660 1.00 0.00 C ATOM 899 C LYS B 14 7.153 11.835 -3.220 1.00 0.00 C ATOM 900 O LYS B 14 6.674 12.565 -2.349 1.00 0.00 O ATOM 901 CB LYS B 14 7.033 13.805 -4.786 1.00 0.00 C ATOM 902 CG LYS B 14 7.925 14.504 -5.801 1.00 0.00 C ATOM 903 CD LYS B 14 7.213 15.662 -6.485 1.00 0.00 C ATOM 904 CE LYS B 14 7.245 16.930 -5.645 1.00 0.00 C ATOM 905 NZ LYS B 14 6.125 16.987 -4.672 1.00 0.00 N ATOM 0 H LYS B 14 6.979 11.295 -6.450 1.00 0.00 H new ATOM 0 HA LYS B 14 8.364 12.122 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.990 13.943 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.162 14.277 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.821 14.873 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS B 14 8.252 13.785 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.681 15.855 -7.450 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.178 15.385 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.193 16.985 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.199 17.799 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.888 17.980 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.294 16.506 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.407 16.515 -3.789 1.00 0.00 H new ATOM 919 N VAL B 15 7.559 10.602 -2.983 1.00 0.00 N ATOM 920 CA VAL B 15 7.489 9.986 -1.671 1.00 0.00 C ATOM 921 C VAL B 15 8.893 9.721 -1.152 1.00 0.00 C ATOM 922 O VAL B 15 9.649 8.955 -1.745 1.00 0.00 O ATOM 923 CB VAL B 15 6.700 8.660 -1.708 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.689 7.990 -0.342 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.286 8.904 -2.193 1.00 0.00 C ATOM 0 H VAL B 15 7.950 9.994 -3.702 1.00 0.00 H new ATOM 0 HA VAL B 15 6.968 10.675 -1.007 1.00 0.00 H new ATOM 0 HB VAL B 15 7.198 7.987 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL B 15 6.126 7.058 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.712 7.778 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.221 8.654 0.385 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.741 7.960 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.785 9.598 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.314 9.330 -3.196 1.00 0.00 H new ATOM 935 N ARG B 16 9.228 10.347 -0.041 1.00 0.00 N ATOM 936 CA ARG B 16 10.541 10.199 0.557 1.00 0.00 C ATOM 937 C ARG B 16 10.582 9.027 1.526 1.00 0.00 C ATOM 938 O ARG B 16 9.814 8.973 2.484 1.00 0.00 O ATOM 939 CB ARG B 16 10.919 11.470 1.326 1.00 0.00 C ATOM 940 CG ARG B 16 11.563 12.550 0.482 1.00 0.00 C ATOM 941 CD ARG B 16 11.337 13.934 1.085 1.00 0.00 C ATOM 942 NE ARG B 16 12.067 14.981 0.364 1.00 0.00 N ATOM 943 CZ ARG B 16 11.967 15.191 -0.949 1.00 0.00 C ATOM 944 NH1 ARG B 16 11.034 14.570 -1.657 1.00 0.00 N ATOM 945 NH2 ARG B 16 12.763 16.068 -1.544 1.00 0.00 N ATOM 0 H ARG B 16 8.602 10.969 0.470 1.00 0.00 H new ATOM 0 HA ARG B 16 11.247 10.019 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.022 11.878 1.791 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.602 11.202 2.132 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.633 12.358 0.397 1.00 0.00 H new ATOM 0 HG3 ARG B 16 11.152 12.519 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.271 14.163 1.073 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.651 13.929 2.129 1.00 0.00 H new ATOM 0 HE ARG B 16 12.690 15.586 0.900 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.388 13.928 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.962 14.734 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.453 16.583 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG B 16 12.685 16.228 -2.548 1.00 0.00 H new ATOM 959 N GLN B 17 11.465 8.088 1.265 1.00 0.00 N ATOM 960 CA GLN B 17 11.646 6.957 2.149 1.00 0.00 C ATOM 961 C GLN B 17 12.975 7.148 2.861 1.00 0.00 C ATOM 962 O GLN B 17 14.025 6.906 2.274 1.00 0.00 O ATOM 963 CB GLN B 17 11.630 5.645 1.354 1.00 0.00 C ATOM 964 CG GLN B 17 11.445 4.398 2.210 1.00 0.00 C ATOM 965 CD GLN B 17 12.756 3.775 2.653 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.781 3.877 1.819 1.00 0.00 O flip ATOM 967 NE2 GLN B 17 12.846 3.201 3.736 1.00 0.00 N flip ATOM 0 H GLN B 17 12.071 8.085 0.445 1.00 0.00 H new ATOM 0 HA GLN B 17 10.835 6.900 2.875 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.827 5.689 0.618 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.565 5.557 0.801 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.856 4.654 3.091 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.872 3.661 1.647 1.00 0.00 H new ATOM 0 HE21 GLN B 17 12.035 3.143 4.351 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.732 2.783 4.019 1.00 0.00 H new ATOM 976 N LYS B 18 12.907 7.586 4.119 1.00 0.00 N ATOM 977 CA LYS B 18 14.089 7.854 4.940 1.00 0.00 C ATOM 978 C LYS B 18 15.226 8.500 4.135 1.00 0.00 C ATOM 979 O LYS B 18 16.276 7.892 3.908 1.00 0.00 O ATOM 980 CB LYS B 18 14.540 6.584 5.648 1.00 0.00 C ATOM 981 CG LYS B 18 13.818 6.360 6.972 1.00 0.00 C ATOM 982 CD LYS B 18 14.734 5.769 8.034 1.00 0.00 C ATOM 983 CE LYS B 18 15.610 6.832 8.687 1.00 0.00 C ATOM 984 NZ LYS B 18 14.830 7.768 9.542 1.00 0.00 N ATOM 0 H LYS B 18 12.026 7.766 4.600 1.00 0.00 H new ATOM 0 HA LYS B 18 13.808 8.584 5.699 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.367 5.728 4.995 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.614 6.635 5.829 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.415 7.308 7.329 1.00 0.00 H new ATOM 0 HG3 LYS B 18 12.971 5.693 6.813 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.133 5.275 8.798 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.367 5.005 7.583 1.00 0.00 H new ATOM 0 HE2 LYS B 18 16.376 6.346 9.291 1.00 0.00 H new ATOM 0 HE3 LYS B 18 16.127 7.398 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 15.425 8.098 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.523 8.583 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.996 7.277 9.922 1.00 0.00 H new ATOM 998 N LYS B 19 14.968 9.729 3.682 1.00 0.00 N ATOM 999 CA LYS B 19 15.910 10.524 2.900 1.00 0.00 C ATOM 1000 C LYS B 19 16.161 9.990 1.495 1.00 0.00 C ATOM 1001 O LYS B 19 17.280 10.041 0.988 1.00 0.00 O ATOM 1002 CB LYS B 19 17.201 10.700 3.672 1.00 0.00 C ATOM 1003 CG LYS B 19 17.208 11.956 4.517 1.00 0.00 C ATOM 1004 CD LYS B 19 16.867 13.169 3.667 1.00 0.00 C ATOM 1005 CE LYS B 19 15.850 14.070 4.342 1.00 0.00 C ATOM 1006 NZ LYS B 19 14.735 13.301 4.960 1.00 0.00 N ATOM 0 H LYS B 19 14.082 10.205 3.853 1.00 0.00 H new ATOM 0 HA LYS B 19 15.445 11.498 2.746 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.357 9.833 4.315 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.037 10.732 2.973 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.488 11.859 5.329 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.188 12.089 4.974 1.00 0.00 H new ATOM 0 HD2 LYS B 19 17.775 13.736 3.464 1.00 0.00 H new ATOM 0 HD3 LYS B 19 16.476 12.839 2.705 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.347 14.664 5.109 1.00 0.00 H new ATOM 0 HE3 LYS B 19 15.445 14.769 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.868 13.876 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.577 12.425 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.980 13.064 5.942 1.00 0.00 H new ATOM 1020 N GLN B 20 15.105 9.515 0.862 1.00 0.00 N ATOM 1021 CA GLN B 20 15.181 9.019 -0.503 1.00 0.00 C ATOM 1022 C GLN B 20 13.898 9.389 -1.230 1.00 0.00 C ATOM 1023 O GLN B 20 12.825 8.942 -0.845 1.00 0.00 O ATOM 1024 CB GLN B 20 15.379 7.499 -0.521 1.00 0.00 C ATOM 1025 CG GLN B 20 16.786 7.056 -0.158 1.00 0.00 C ATOM 1026 CD GLN B 20 16.811 5.715 0.548 1.00 0.00 C ATOM 1027 OE1 GLN B 20 16.856 4.663 -0.089 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.778 5.742 1.871 1.00 0.00 N ATOM 0 H GLN B 20 14.174 9.461 1.275 1.00 0.00 H new ATOM 0 HA GLN B 20 16.036 9.473 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.674 7.043 0.174 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.135 7.123 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.389 6.997 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.246 7.808 0.483 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.741 6.635 2.362 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.790 4.870 2.399 1.00 0.00 H new ATOM 1037 N ASP B 21 13.999 10.210 -2.263 1.00 0.00 N ATOM 1038 CA ASP B 21 12.815 10.627 -3.013 1.00 0.00 C ATOM 1039 C ASP B 21 12.421 9.548 -4.005 1.00 0.00 C ATOM 1040 O ASP B 21 13.286 8.924 -4.621 1.00 0.00 O ATOM 1041 CB ASP B 21 13.064 11.947 -3.746 1.00 0.00 C ATOM 1042 CG ASP B 21 11.810 12.797 -3.842 1.00 0.00 C ATOM 1043 OD1 ASP B 21 11.930 14.011 -4.129 1.00 0.00 O ATOM 1044 OD2 ASP B 21 10.707 12.269 -3.586 1.00 0.00 O ATOM 0 H ASP B 21 14.878 10.600 -2.603 1.00 0.00 H new ATOM 0 HA ASP B 21 12.000 10.780 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.841 12.507 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP B 21 13.437 11.739 -4.749 1.00 0.00 H new ATOM 1049 N GLY B 22 11.126 9.326 -4.161 1.00 0.00 N ATOM 1050 CA GLY B 22 10.665 8.304 -5.072 1.00 0.00 C ATOM 1051 C GLY B 22 9.167 8.299 -5.263 1.00 0.00 C ATOM 1052 O GLY B 22 8.493 9.267 -4.957 1.00 0.00 O ATOM 0 H GLY B 22 10.388 9.835 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.146 8.447 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.979 7.329 -4.701 1.00 0.00 H new ATOM 1056 N ALA B 23 8.656 7.197 -5.771 1.00 0.00 N ATOM 1057 CA ALA B 23 7.236 7.040 -6.015 1.00 0.00 C ATOM 1058 C ALA B 23 6.743 5.733 -5.410 1.00 0.00 C ATOM 1059 O ALA B 23 7.455 4.726 -5.423 1.00 0.00 O ATOM 1060 CB ALA B 23 6.955 7.084 -7.510 1.00 0.00 C ATOM 0 H ALA B 23 9.214 6.383 -6.027 1.00 0.00 H new ATOM 0 HA ALA B 23 6.699 7.862 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.885 6.965 -7.683 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.284 8.042 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.494 6.277 -8.006 1.00 0.00 H new ATOM 1066 N LEU B 24 5.531 5.752 -4.880 1.00 0.00 N ATOM 1067 CA LEU B 24 4.949 4.572 -4.259 1.00 0.00 C ATOM 1068 C LEU B 24 3.866 3.982 -5.151 1.00 0.00 C ATOM 1069 O LEU B 24 2.934 4.674 -5.552 1.00 0.00 O ATOM 1070 CB LEU B 24 4.373 4.925 -2.889 1.00 0.00 C ATOM 1071 CG LEU B 24 4.018 3.721 -2.021 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.273 3.087 -1.448 1.00 0.00 C ATOM 1073 CD2 LEU B 24 3.065 4.127 -0.907 1.00 0.00 C ATOM 0 H LEU B 24 4.928 6.575 -4.867 1.00 0.00 H new ATOM 0 HA LEU B 24 5.733 3.827 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.095 5.542 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.478 5.531 -3.031 1.00 0.00 H new ATOM 0 HG LEU B 24 3.517 2.982 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.999 2.230 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.918 2.757 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.804 3.818 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.824 3.255 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.537 4.885 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.150 4.532 -1.340 1.00 0.00 H new ATOM 1085 N TYR B 25 3.993 2.704 -5.461 1.00 0.00 N ATOM 1086 CA TYR B 25 3.032 2.030 -6.319 1.00 0.00 C ATOM 1087 C TYR B 25 2.327 0.905 -5.572 1.00 0.00 C ATOM 1088 O TYR B 25 2.964 -0.058 -5.135 1.00 0.00 O ATOM 1089 CB TYR B 25 3.728 1.456 -7.560 1.00 0.00 C ATOM 1090 CG TYR B 25 4.152 2.491 -8.583 1.00 0.00 C ATOM 1091 CD1 TYR B 25 3.641 2.464 -9.873 1.00 0.00 C ATOM 1092 CD2 TYR B 25 5.068 3.487 -8.265 1.00 0.00 C ATOM 1093 CE1 TYR B 25 4.027 3.398 -10.816 1.00 0.00 C ATOM 1094 CE2 TYR B 25 5.457 4.425 -9.201 1.00 0.00 C ATOM 1095 CZ TYR B 25 4.935 4.375 -10.474 1.00 0.00 C ATOM 1096 OH TYR B 25 5.318 5.308 -11.408 1.00 0.00 O ATOM 0 H TYR B 25 4.754 2.110 -5.131 1.00 0.00 H new ATOM 0 HA TYR B 25 2.291 2.768 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.608 0.898 -7.241 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.056 0.744 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.929 1.699 -10.145 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.483 3.528 -7.269 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.619 3.362 -11.815 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.167 5.194 -8.936 1.00 0.00 H new ATOM 0 HH TYR B 25 5.963 5.927 -11.006 1.00 0.00 H new ATOM 1106 N LEU B 26 1.016 1.033 -5.412 1.00 0.00 N ATOM 1107 CA LEU B 26 0.235 0.005 -4.742 1.00 0.00 C ATOM 1108 C LEU B 26 -0.182 -1.034 -5.753 1.00 0.00 C ATOM 1109 O LEU B 26 -0.752 -0.702 -6.795 1.00 0.00 O ATOM 1110 CB LEU B 26 -1.011 0.575 -4.068 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.760 1.472 -2.861 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.937 1.408 -1.904 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.521 1.083 -2.152 1.00 0.00 C ATOM 0 H LEU B 26 0.475 1.835 -5.736 1.00 0.00 H new ATOM 0 HA LEU B 26 0.860 -0.436 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.574 1.143 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.644 -0.255 -3.755 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.651 2.497 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.744 2.053 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.840 1.743 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.073 0.382 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.676 1.739 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.449 0.050 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.361 1.180 -2.840 1.00 0.00 H new ATOM 1125 N MET B 27 0.097 -2.285 -5.458 1.00 0.00 N ATOM 1126 CA MET B 27 -0.242 -3.354 -6.365 1.00 0.00 C ATOM 1127 C MET B 27 -1.216 -4.321 -5.713 1.00 0.00 C ATOM 1128 O MET B 27 -1.337 -4.364 -4.488 1.00 0.00 O ATOM 1129 CB MET B 27 1.014 -4.087 -6.816 1.00 0.00 C ATOM 1130 CG MET B 27 2.258 -3.215 -6.855 1.00 0.00 C ATOM 1131 SD MET B 27 3.648 -4.022 -7.665 1.00 0.00 S ATOM 1132 CE MET B 27 3.837 -2.948 -9.080 1.00 0.00 C ATOM 0 H MET B 27 0.557 -2.584 -4.598 1.00 0.00 H new ATOM 0 HA MET B 27 -0.724 -2.921 -7.241 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.193 -4.927 -6.145 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.843 -4.503 -7.809 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.029 -2.286 -7.376 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.541 -2.948 -5.837 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.849 -3.040 -9.474 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.120 -3.232 -9.850 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.657 -1.916 -8.780 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.879 -5.104 -6.552 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.886 -6.070 -6.123 1.00 0.00 C ATOM 1144 C ALA B 28 -2.478 -6.907 -4.904 1.00 0.00 C ATOM 1145 O ALA B 28 -3.273 -7.074 -3.978 1.00 0.00 O ATOM 1146 CB ALA B 28 -3.245 -6.984 -7.283 1.00 0.00 C ATOM 0 H ALA B 28 -1.733 -5.088 -7.561 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.751 -5.487 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.997 -7.704 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.642 -6.389 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.354 -7.515 -7.617 1.00 0.00 H new ATOM 1152 N GLU B 29 -1.259 -7.440 -4.892 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.827 -8.276 -3.772 1.00 0.00 C ATOM 1154 C GLU B 29 0.390 -7.704 -3.042 1.00 0.00 C ATOM 1155 O GLU B 29 0.878 -8.311 -2.081 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.474 -9.688 -4.257 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.243 -10.164 -5.482 1.00 0.00 C ATOM 1158 CD GLU B 29 -2.739 -10.256 -5.274 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -3.177 -10.509 -4.137 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -3.484 -10.075 -6.260 1.00 0.00 O ATOM 0 H GLU B 29 -0.564 -7.313 -5.628 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.666 -8.305 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.592 -9.722 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.651 -10.390 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.043 -9.484 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.867 -11.144 -5.776 1.00 0.00 H new ATOM 1167 N ARG B 30 0.869 -6.532 -3.444 1.00 0.00 N ATOM 1168 CA ARG B 30 2.062 -5.984 -2.805 1.00 0.00 C ATOM 1169 C ARG B 30 2.175 -4.475 -2.963 1.00 0.00 C ATOM 1170 O ARG B 30 1.461 -3.865 -3.746 1.00 0.00 O ATOM 1171 CB ARG B 30 3.319 -6.650 -3.380 1.00 0.00 C ATOM 1172 CG ARG B 30 3.652 -6.224 -4.805 1.00 0.00 C ATOM 1173 CD ARG B 30 4.859 -6.974 -5.346 1.00 0.00 C ATOM 1174 NE ARG B 30 4.477 -8.192 -6.060 1.00 0.00 N ATOM 1175 CZ ARG B 30 5.298 -8.896 -6.835 1.00 0.00 C ATOM 1176 NH1 ARG B 30 6.574 -8.546 -6.951 1.00 0.00 N ATOM 1177 NH2 ARG B 30 4.836 -9.960 -7.482 1.00 0.00 N ATOM 0 H ARG B 30 0.466 -5.958 -4.185 1.00 0.00 H new ATOM 0 HA ARG B 30 1.973 -6.196 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.167 -6.419 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.187 -7.732 -3.357 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.792 -6.405 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.849 -5.152 -4.828 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.419 -6.322 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.524 -7.231 -4.522 1.00 0.00 H new ATOM 0 HE ARG B 30 3.518 -8.524 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.928 -7.734 -6.445 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.200 -9.089 -7.546 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.858 -10.232 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.459 -10.505 -8.078 1.00 0.00 H new ATOM 1191 N ILE B 31 3.088 -3.895 -2.203 1.00 0.00 N ATOM 1192 CA ILE B 31 3.351 -2.470 -2.245 1.00 0.00 C ATOM 1193 C ILE B 31 4.829 -2.258 -2.548 1.00 0.00 C ATOM 1194 O ILE B 31 5.692 -2.887 -1.933 1.00 0.00 O ATOM 1195 CB ILE B 31 2.967 -1.774 -0.913 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.510 -0.341 -0.869 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.473 -2.574 0.278 1.00 0.00 C ATOM 1198 CD1 ILE B 31 3.049 0.451 0.338 1.00 0.00 C ATOM 0 H ILE B 31 3.670 -4.403 -1.537 1.00 0.00 H new ATOM 0 HA ILE B 31 2.737 -2.022 -3.026 1.00 0.00 H new ATOM 0 HB ILE B 31 1.879 -1.728 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.599 -0.375 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.202 0.182 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.193 -2.068 1.202 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.031 -3.570 0.261 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.558 -2.658 0.225 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.474 1.454 0.299 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.961 0.518 0.336 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.380 -0.048 1.249 1.00 0.00 H new ATOM 1210 N ALA B 32 5.128 -1.403 -3.510 1.00 0.00 N ATOM 1211 CA ALA B 32 6.510 -1.161 -3.878 1.00 0.00 C ATOM 1212 C ALA B 32 6.814 0.324 -3.996 1.00 0.00 C ATOM 1213 O ALA B 32 5.934 1.134 -4.288 1.00 0.00 O ATOM 1214 CB ALA B 32 6.840 -1.882 -5.173 1.00 0.00 C ATOM 0 H ALA B 32 4.441 -0.871 -4.044 1.00 0.00 H new ATOM 0 HA ALA B 32 7.141 -1.556 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.880 -1.693 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.688 -2.953 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.190 -1.518 -5.968 1.00 0.00 H new ATOM 1220 N TRP B 33 8.070 0.663 -3.763 1.00 0.00 N ATOM 1221 CA TRP B 33 8.531 2.035 -3.835 1.00 0.00 C ATOM 1222 C TRP B 33 9.824 2.102 -4.641 1.00 0.00 C ATOM 1223 O TRP B 33 10.714 1.261 -4.476 1.00 0.00 O ATOM 1224 CB TRP B 33 8.750 2.592 -2.421 1.00 0.00 C ATOM 1225 CG TRP B 33 9.308 3.984 -2.391 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.602 5.152 -2.356 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.692 4.351 -2.389 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.466 6.220 -2.339 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.751 5.752 -2.359 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.889 3.626 -2.413 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.956 6.445 -2.351 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.084 4.316 -2.405 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.110 5.712 -2.375 1.00 0.00 C ATOM 0 H TRP B 33 8.799 -0.008 -3.518 1.00 0.00 H new ATOM 0 HA TRP B 33 7.775 2.642 -4.332 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.800 2.581 -1.887 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.427 1.929 -1.882 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.525 5.225 -2.344 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.193 7.203 -2.315 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.878 2.546 -2.437 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.980 7.524 -2.327 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.014 3.768 -2.422 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.061 6.223 -2.371 1.00 0.00 H new ATOM 1244 N ALA B 34 9.912 3.088 -5.516 1.00 0.00 N ATOM 1245 CA ALA B 34 11.089 3.284 -6.347 1.00 0.00 C ATOM 1246 C ALA B 34 11.451 4.754 -6.373 1.00 0.00 C ATOM 1247 O ALA B 34 10.565 5.590 -6.458 1.00 0.00 O ATOM 1248 CB ALA B 34 10.828 2.793 -7.761 1.00 0.00 C ATOM 0 H ALA B 34 9.173 3.774 -5.671 1.00 0.00 H new ATOM 0 HA ALA B 34 11.917 2.712 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.719 2.947 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.583 1.731 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.994 3.348 -8.191 1.00 0.00 H new ATOM 1254 N PRO B 35 12.745 5.095 -6.285 1.00 0.00 N ATOM 1255 CA PRO B 35 13.190 6.493 -6.315 1.00 0.00 C ATOM 1256 C PRO B 35 12.706 7.202 -7.580 1.00 0.00 C ATOM 1257 O PRO B 35 12.550 6.573 -8.630 1.00 0.00 O ATOM 1258 CB PRO B 35 14.718 6.388 -6.304 1.00 0.00 C ATOM 1259 CG PRO B 35 15.007 5.043 -5.729 1.00 0.00 C ATOM 1260 CD PRO B 35 13.871 4.157 -6.157 1.00 0.00 C ATOM 0 HA PRO B 35 12.796 7.074 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.128 6.484 -7.310 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.164 7.179 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.960 4.659 -6.094 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.077 5.090 -4.642 1.00 0.00 H new ATOM 0 HD2 PRO B 35 14.086 3.654 -7.100 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.666 3.380 -5.420 1.00 0.00 H new ATOM 1368 N THR B 42 13.090 -0.274 -5.411 1.00 0.00 N ATOM 1369 CA THR B 42 14.085 -0.712 -4.446 1.00 0.00 C ATOM 1370 C THR B 42 13.403 -1.305 -3.219 1.00 0.00 C ATOM 1371 O THR B 42 13.972 -2.132 -2.508 1.00 0.00 O ATOM 1372 CB THR B 42 14.988 0.457 -4.021 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.240 1.682 -4.054 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.195 0.571 -4.939 1.00 0.00 C ATOM 0 HA THR B 42 14.703 -1.475 -4.920 1.00 0.00 H new ATOM 0 HB THR B 42 15.341 0.269 -3.007 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.364 1.519 -4.462 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.819 1.405 -4.618 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.773 -0.352 -4.896 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.859 0.742 -5.962 1.00 0.00 H new ATOM 1382 N ILE B 43 12.174 -0.870 -2.981 1.00 0.00 N ATOM 1383 CA ILE B 43 11.392 -1.348 -1.854 1.00 0.00 C ATOM 1384 C ILE B 43 10.216 -2.170 -2.360 1.00 0.00 C ATOM 1385 O ILE B 43 9.381 -1.666 -3.107 1.00 0.00 O ATOM 1386 CB ILE B 43 10.851 -0.178 -1.002 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.999 0.673 -0.446 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.971 -0.691 0.132 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.871 -0.053 0.555 1.00 0.00 C ATOM 0 H ILE B 43 11.695 -0.181 -3.560 1.00 0.00 H new ATOM 0 HA ILE B 43 12.046 -1.958 -1.231 1.00 0.00 H new ATOM 0 HB ILE B 43 10.242 0.451 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.620 1.014 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.583 1.562 0.027 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.603 0.152 0.717 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.127 -1.241 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.554 -1.351 0.774 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.660 0.615 0.902 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.265 -0.370 1.403 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.318 -0.927 0.082 1.00 0.00 H new ATOM 1401 N SER B 44 10.166 -3.433 -1.979 1.00 0.00 N ATOM 1402 CA SER B 44 9.084 -4.301 -2.392 1.00 0.00 C ATOM 1403 C SER B 44 8.594 -5.113 -1.201 1.00 0.00 C ATOM 1404 O SER B 44 9.333 -5.929 -0.651 1.00 0.00 O ATOM 1405 CB SER B 44 9.556 -5.223 -3.517 1.00 0.00 C ATOM 1406 OG SER B 44 8.480 -5.592 -4.367 1.00 0.00 O ATOM 0 H SER B 44 10.864 -3.879 -1.384 1.00 0.00 H new ATOM 0 HA SER B 44 8.257 -3.697 -2.766 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.328 -4.722 -4.101 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.009 -6.118 -3.091 1.00 0.00 H new ATOM 0 HG SER B 44 8.811 -6.180 -5.078 1.00 0.00 H new ATOM 1412 N HIS B 45 7.362 -4.860 -0.788 1.00 0.00 N ATOM 1413 CA HIS B 45 6.775 -5.564 0.343 1.00 0.00 C ATOM 1414 C HIS B 45 5.440 -6.161 -0.030 1.00 0.00 C ATOM 1415 O HIS B 45 4.578 -5.481 -0.584 1.00 0.00 O ATOM 1416 CB HIS B 45 6.570 -4.623 1.532 1.00 0.00 C ATOM 1417 CG HIS B 45 7.818 -4.287 2.284 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.550 -5.200 3.008 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.448 -3.098 2.434 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.578 -4.550 3.568 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.563 -3.270 3.249 1.00 0.00 N ATOM 0 H HIS B 45 6.747 -4.170 -1.220 1.00 0.00 H new ATOM 0 HA HIS B 45 7.469 -6.357 0.622 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.118 -3.698 1.173 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.859 -5.079 2.221 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.346 -6.195 3.101 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.135 -2.164 1.991 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.322 -5.013 4.199 1.00 0.00 H new ATOM 1429 N MET B 46 5.271 -7.429 0.262 1.00 0.00 N ATOM 1430 CA MET B 46 4.018 -8.089 -0.002 1.00 0.00 C ATOM 1431 C MET B 46 3.150 -7.881 1.219 1.00 0.00 C ATOM 1432 O MET B 46 3.666 -7.793 2.332 1.00 0.00 O ATOM 1433 CB MET B 46 4.215 -9.590 -0.252 1.00 0.00 C ATOM 1434 CG MET B 46 5.375 -9.926 -1.179 1.00 0.00 C ATOM 1435 SD MET B 46 5.034 -9.527 -2.907 1.00 0.00 S ATOM 1436 CE MET B 46 3.675 -10.641 -3.261 1.00 0.00 C ATOM 0 H MET B 46 5.986 -8.023 0.682 1.00 0.00 H new ATOM 0 HA MET B 46 3.558 -7.674 -0.899 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.374 -10.087 0.705 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.297 -9.999 -0.675 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.262 -9.382 -0.854 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.604 -10.988 -1.095 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.621 -10.819 -4.335 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.836 -11.587 -2.744 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.741 -10.195 -2.920 1.00 0.00 H new ATOM 1446 N TYR B 47 1.847 -7.779 1.041 1.00 0.00 N ATOM 1447 CA TYR B 47 0.970 -7.596 2.196 1.00 0.00 C ATOM 1448 C TYR B 47 1.030 -8.839 3.079 1.00 0.00 C ATOM 1449 O TYR B 47 0.612 -8.823 4.233 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.470 -7.291 1.783 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.584 -6.165 0.774 1.00 0.00 C ATOM 1452 CD1 TYR B 47 0.078 -4.959 0.977 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.347 -6.304 -0.377 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.017 -3.929 0.064 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.447 -5.275 -1.295 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.780 -4.091 -1.069 1.00 0.00 C ATOM 1457 OH TYR B 47 -0.871 -3.069 -1.983 1.00 0.00 O ATOM 0 H TYR B 47 1.376 -7.817 0.137 1.00 0.00 H new ATOM 0 HA TYR B 47 1.323 -6.732 2.758 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -0.918 -8.192 1.363 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.047 -7.033 2.671 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.677 -4.826 1.866 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.871 -7.231 -0.558 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.505 -3.000 0.238 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.045 -5.399 -2.185 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.015 -3.442 -2.878 1.00 0.00 H new ATOM 1467 N ALA B 48 1.587 -9.908 2.519 1.00 0.00 N ATOM 1468 CA ALA B 48 1.750 -11.161 3.231 1.00 0.00 C ATOM 1469 C ALA B 48 2.878 -11.046 4.255 1.00 0.00 C ATOM 1470 O ALA B 48 3.012 -11.892 5.137 1.00 0.00 O ATOM 1471 CB ALA B 48 2.029 -12.294 2.256 1.00 0.00 C ATOM 0 H ALA B 48 1.936 -9.926 1.561 1.00 0.00 H new ATOM 0 HA ALA B 48 0.823 -11.383 3.760 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.149 -13.227 2.807 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.196 -12.388 1.560 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.943 -12.080 1.702 1.00 0.00 H new ATOM 1477 N ASP B 49 3.675 -9.988 4.139 1.00 0.00 N ATOM 1478 CA ASP B 49 4.785 -9.759 5.060 1.00 0.00 C ATOM 1479 C ASP B 49 4.436 -8.634 6.026 1.00 0.00 C ATOM 1480 O ASP B 49 5.154 -8.380 6.995 1.00 0.00 O ATOM 1481 CB ASP B 49 6.075 -9.377 4.313 1.00 0.00 C ATOM 1482 CG ASP B 49 6.183 -9.970 2.919 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.948 -11.185 2.760 1.00 0.00 O ATOM 1484 OD2 ASP B 49 6.506 -9.208 1.979 1.00 0.00 O ATOM 0 H ASP B 49 3.573 -9.275 3.416 1.00 0.00 H new ATOM 0 HA ASP B 49 4.954 -10.690 5.601 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.132 -8.291 4.240 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.933 -9.702 4.902 1.00 0.00 H new ATOM 1489 N ILE B 50 3.322 -7.965 5.761 1.00 0.00 N ATOM 1490 CA ILE B 50 2.889 -6.850 6.588 1.00 0.00 C ATOM 1491 C ILE B 50 1.911 -7.316 7.666 1.00 0.00 C ATOM 1492 O ILE B 50 1.031 -8.136 7.407 1.00 0.00 O ATOM 1493 CB ILE B 50 2.223 -5.748 5.736 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.147 -5.335 4.587 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.876 -4.542 6.600 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.491 -4.416 3.579 1.00 0.00 C ATOM 0 H ILE B 50 2.702 -8.176 4.979 1.00 0.00 H new ATOM 0 HA ILE B 50 3.778 -6.438 7.065 1.00 0.00 H new ATOM 0 HB ILE B 50 1.300 -6.146 5.314 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.026 -4.839 4.999 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.498 -6.231 4.074 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.407 -3.775 5.983 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.187 -4.845 7.388 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.785 -4.142 7.048 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.206 -4.166 2.795 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.629 -4.916 3.138 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.165 -3.503 4.077 1.00 0.00 H new ATOM 1508 N LYS B 51 2.077 -6.794 8.875 1.00 0.00 N ATOM 1509 CA LYS B 51 1.215 -7.150 9.995 1.00 0.00 C ATOM 1510 C LYS B 51 0.145 -6.079 10.212 1.00 0.00 C ATOM 1511 O LYS B 51 -1.011 -6.387 10.497 1.00 0.00 O ATOM 1512 CB LYS B 51 2.066 -7.329 11.256 1.00 0.00 C ATOM 1513 CG LYS B 51 1.280 -7.730 12.492 1.00 0.00 C ATOM 1514 CD LYS B 51 2.191 -8.289 13.578 1.00 0.00 C ATOM 1515 CE LYS B 51 3.340 -7.342 13.908 1.00 0.00 C ATOM 1516 NZ LYS B 51 2.861 -6.005 14.350 1.00 0.00 N ATOM 0 H LYS B 51 2.806 -6.118 9.106 1.00 0.00 H new ATOM 0 HA LYS B 51 0.708 -8.089 9.772 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.826 -8.086 11.062 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.591 -6.396 11.461 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.741 -6.865 12.878 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.533 -8.477 12.223 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.607 -8.477 14.479 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.594 -9.248 13.254 1.00 0.00 H new ATOM 0 HE2 LYS B 51 3.957 -7.782 14.692 1.00 0.00 H new ATOM 0 HE3 LYS B 51 3.976 -7.226 13.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 3.677 -5.397 14.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 2.294 -5.572 13.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 2.276 -6.110 15.203 1.00 0.00 H new ATOM 1530 N CYS B 52 0.552 -4.824 10.083 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.349 -3.687 10.239 1.00 0.00 C ATOM 1532 C CYS B 52 0.301 -2.457 9.635 1.00 0.00 C ATOM 1533 O CYS B 52 1.500 -2.470 9.352 1.00 0.00 O ATOM 1534 CB CYS B 52 -0.681 -3.433 11.714 1.00 0.00 C ATOM 1535 SG CYS B 52 0.676 -3.795 12.860 1.00 0.00 S ATOM 0 H CYS B 52 1.514 -4.564 9.868 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.284 -3.909 9.724 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -0.973 -2.390 11.834 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -1.544 -4.039 11.989 1.00 0.00 H new ATOM 0 HG CYS B 52 0.294 -3.546 14.077 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.452 -1.387 9.445 1.00 0.00 N ATOM 1542 CA GLN B 53 0.109 -0.201 8.871 1.00 0.00 C ATOM 1543 C GLN B 53 -0.118 0.931 9.853 1.00 0.00 C ATOM 1544 O GLN B 53 -0.827 0.746 10.830 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.551 0.046 7.510 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.053 -0.128 7.535 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.758 0.687 6.476 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.235 1.685 5.990 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -3.972 0.289 6.142 1.00 0.00 N ATOM 0 H GLN B 53 -1.442 -1.326 9.681 1.00 0.00 H new ATOM 0 HA GLN B 53 1.181 -0.289 8.694 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.314 1.057 7.177 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.125 -0.639 6.777 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.294 -1.182 7.395 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.430 0.158 8.517 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.370 -0.547 6.570 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.511 0.817 5.456 1.00 0.00 H new ATOM 1558 N LYS B 54 0.557 2.045 9.672 1.00 0.00 N ATOM 1559 CA LYS B 54 0.385 3.202 10.537 1.00 0.00 C ATOM 1560 C LYS B 54 0.557 4.438 9.686 1.00 0.00 C ATOM 1561 O LYS B 54 1.100 4.361 8.591 1.00 0.00 O ATOM 1562 CB LYS B 54 1.411 3.229 11.679 1.00 0.00 C ATOM 1563 CG LYS B 54 1.710 1.879 12.309 1.00 0.00 C ATOM 1564 CD LYS B 54 1.558 1.933 13.819 1.00 0.00 C ATOM 1565 CE LYS B 54 2.031 0.648 14.476 1.00 0.00 C ATOM 1566 NZ LYS B 54 1.289 -0.543 13.984 1.00 0.00 N ATOM 0 H LYS B 54 1.239 2.179 8.925 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.604 3.157 10.992 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.342 3.650 11.300 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.049 3.903 12.456 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.036 1.126 11.900 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.724 1.572 12.054 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.128 2.775 14.213 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.513 2.109 14.074 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.096 0.515 14.284 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.909 0.729 15.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 1.965 -1.269 13.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.699 -0.925 14.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.683 -0.269 13.185 1.00 0.00 H new ATOM 1580 N ILE B 55 0.079 5.562 10.160 1.00 0.00 N ATOM 1581 CA ILE B 55 0.202 6.799 9.388 1.00 0.00 C ATOM 1582 C ILE B 55 0.567 7.990 10.250 1.00 0.00 C ATOM 1583 O ILE B 55 -0.013 8.164 11.298 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.151 7.135 8.724 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.259 6.860 9.729 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.365 6.335 7.454 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.666 7.069 9.246 1.00 0.00 C ATOM 0 H ILE B 55 -0.393 5.659 11.059 1.00 0.00 H new ATOM 0 HA ILE B 55 0.991 6.625 8.657 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.158 8.186 8.437 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.164 5.829 10.068 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.098 7.498 10.598 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.327 6.599 7.016 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.569 6.560 6.744 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.353 5.271 7.688 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.365 6.841 10.051 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.794 8.106 8.937 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.861 6.411 8.399 1.00 0.00 H new ATOM 1599 N SER B 56 1.536 8.809 9.856 1.00 0.00 N ATOM 1600 CA SER B 56 1.784 9.996 10.645 1.00 0.00 C ATOM 1601 C SER B 56 0.551 10.836 10.399 1.00 0.00 C ATOM 1602 O SER B 56 0.278 11.217 9.237 1.00 0.00 O ATOM 1603 CB SER B 56 3.088 10.717 10.293 1.00 0.00 C ATOM 1604 OG SER B 56 3.177 10.998 8.921 1.00 0.00 O ATOM 0 H SER B 56 2.132 8.680 9.038 1.00 0.00 H new ATOM 0 HA SER B 56 1.936 9.765 11.699 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.153 11.646 10.859 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.936 10.101 10.593 1.00 0.00 H new ATOM 0 HG SER B 56 3.372 11.950 8.794 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.196 11.081 11.496 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.508 11.726 11.507 1.00 0.00 C ATOM 1612 C PRO B 57 -1.524 13.113 10.900 1.00 0.00 C ATOM 1613 O PRO B 57 -0.479 13.718 10.638 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.853 11.861 12.994 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.961 10.915 13.689 1.00 0.00 C ATOM 1616 CD PRO B 57 0.276 10.837 12.858 1.00 0.00 C ATOM 0 HA PRO B 57 -2.205 11.133 10.915 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -1.693 12.881 13.344 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.900 11.621 13.178 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -0.733 11.261 14.697 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -1.429 9.935 13.786 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.011 11.581 13.165 1.00 0.00 H new ATOM 0 HD3 PRO B 57 0.755 9.862 12.946 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.723 13.607 10.679 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.908 14.942 10.173 1.00 0.00 C ATOM 1626 C GLU B 58 -2.419 15.891 11.259 1.00 0.00 C ATOM 1627 O GLU B 58 -2.751 15.722 12.432 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.381 15.215 9.810 1.00 0.00 C ATOM 1629 CG GLU B 58 -5.359 14.102 10.197 1.00 0.00 C ATOM 1630 CD GLU B 58 -5.144 12.810 9.421 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -5.504 12.749 8.234 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.583 11.856 10.005 1.00 0.00 O ATOM 0 H GLU B 58 -3.590 13.095 10.845 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.345 15.083 9.250 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.694 16.139 10.296 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.450 15.381 8.735 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.261 13.897 11.263 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.378 14.451 10.032 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.639 16.876 10.876 1.00 0.00 N ATOM 1640 CA GLY B 59 -1.075 17.784 11.849 1.00 0.00 C ATOM 1641 C GLY B 59 0.434 17.653 11.889 1.00 0.00 C ATOM 1642 O GLY B 59 1.133 18.622 12.183 1.00 0.00 O ATOM 0 H GLY B 59 -1.382 17.068 9.908 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.350 18.809 11.600 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.490 17.573 12.835 1.00 0.00 H new ATOM 1646 N LYS B 60 0.944 16.445 11.608 1.00 0.00 N ATOM 1647 CA LYS B 60 2.387 16.247 11.534 1.00 0.00 C ATOM 1648 C LYS B 60 2.869 17.093 10.360 1.00 0.00 C ATOM 1649 O LYS B 60 2.129 17.267 9.390 1.00 0.00 O ATOM 1650 CB LYS B 60 2.767 14.764 11.300 1.00 0.00 C ATOM 1651 CG LYS B 60 2.905 13.905 12.565 1.00 0.00 C ATOM 1652 CD LYS B 60 4.187 14.204 13.348 1.00 0.00 C ATOM 1653 CE LYS B 60 5.162 13.018 13.398 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.554 13.470 13.611 1.00 0.00 N ATOM 0 H LYS B 60 0.386 15.609 11.432 1.00 0.00 H new ATOM 0 HA LYS B 60 2.851 16.537 12.477 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.012 14.312 10.656 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.711 14.731 10.756 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.043 14.075 13.210 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.892 12.851 12.286 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.689 15.059 12.895 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.924 14.491 14.366 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.871 12.340 14.201 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.100 12.455 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.210 12.699 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.749 14.291 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 6.683 13.739 14.607 1.00 0.00 H new ATOM 1668 N ALA B 61 4.084 17.615 10.426 1.00 0.00 N ATOM 1669 CA ALA B 61 4.605 18.454 9.342 1.00 0.00 C ATOM 1670 C ALA B 61 4.809 17.657 8.058 1.00 0.00 C ATOM 1671 O ALA B 61 5.239 18.197 7.039 1.00 0.00 O ATOM 1672 CB ALA B 61 5.902 19.124 9.769 1.00 0.00 C ATOM 0 H ALA B 61 4.726 17.479 11.206 1.00 0.00 H new ATOM 0 HA ALA B 61 3.862 19.224 9.133 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.277 19.743 8.954 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.719 19.747 10.644 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.641 18.362 10.015 1.00 0.00 H new ATOM 1678 N LYS B 62 4.501 16.373 8.120 1.00 0.00 N ATOM 1679 CA LYS B 62 4.633 15.494 6.979 1.00 0.00 C ATOM 1680 C LYS B 62 3.659 14.334 7.099 1.00 0.00 C ATOM 1681 O LYS B 62 3.753 13.516 8.018 1.00 0.00 O ATOM 1682 CB LYS B 62 6.063 14.971 6.857 1.00 0.00 C ATOM 1683 CG LYS B 62 6.866 15.077 8.141 1.00 0.00 C ATOM 1684 CD LYS B 62 8.072 15.984 7.965 1.00 0.00 C ATOM 1685 CE LYS B 62 9.076 15.387 6.995 1.00 0.00 C ATOM 1686 NZ LYS B 62 9.523 14.041 7.430 1.00 0.00 N ATOM 0 H LYS B 62 4.153 15.915 8.962 1.00 0.00 H new ATOM 0 HA LYS B 62 4.400 16.063 6.079 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.033 13.927 6.544 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.577 15.525 6.071 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.231 15.463 8.938 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.196 14.085 8.449 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.747 16.958 7.601 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.550 16.148 8.931 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.629 15.319 6.003 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.939 16.048 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.378 13.772 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.735 14.058 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.770 13.348 7.245 1.00 0.00 H new ATOM 1700 N ILE B 63 2.701 14.294 6.191 1.00 0.00 N ATOM 1701 CA ILE B 63 1.714 13.231 6.159 1.00 0.00 C ATOM 1702 C ILE B 63 2.386 11.983 5.609 1.00 0.00 C ATOM 1703 O ILE B 63 2.802 11.961 4.450 1.00 0.00 O ATOM 1704 CB ILE B 63 0.502 13.648 5.298 1.00 0.00 C ATOM 1705 CG1 ILE B 63 -0.075 14.969 5.812 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.567 12.574 5.308 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.003 16.099 4.810 1.00 0.00 C ATOM 0 H ILE B 63 2.586 14.994 5.458 1.00 0.00 H new ATOM 0 HA ILE B 63 1.337 13.028 7.161 1.00 0.00 H new ATOM 0 HB ILE B 63 0.842 13.780 4.271 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -1.117 14.815 6.092 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.459 15.260 6.717 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.409 12.893 4.694 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.156 11.648 4.907 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.906 12.408 6.330 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.425 17.002 5.246 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.045 16.281 4.548 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.555 15.829 3.913 1.00 0.00 H new ATOM 1719 N GLN B 64 2.520 10.941 6.432 1.00 0.00 N ATOM 1720 CA GLN B 64 3.247 9.750 5.983 1.00 0.00 C ATOM 1721 C GLN B 64 2.571 8.443 6.373 1.00 0.00 C ATOM 1722 O GLN B 64 1.619 8.424 7.149 1.00 0.00 O ATOM 1723 CB GLN B 64 4.668 9.767 6.568 1.00 0.00 C ATOM 1724 CG GLN B 64 5.435 11.058 6.311 1.00 0.00 C ATOM 1725 CD GLN B 64 6.471 11.363 7.381 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.558 11.866 7.086 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.134 11.090 8.631 1.00 0.00 N ATOM 0 H GLN B 64 2.149 10.894 7.381 1.00 0.00 H new ATOM 0 HA GLN B 64 3.265 9.790 4.894 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.608 9.602 7.644 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.231 8.933 6.148 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.931 10.992 5.343 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.729 11.886 6.251 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.225 10.674 8.835 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.783 11.296 9.391 1.00 0.00 H new ATOM 1736 N LEU B 65 3.074 7.353 5.797 1.00 0.00 N ATOM 1737 CA LEU B 65 2.586 6.012 6.082 1.00 0.00 C ATOM 1738 C LEU B 65 3.739 5.144 6.586 1.00 0.00 C ATOM 1739 O LEU B 65 4.885 5.323 6.172 1.00 0.00 O ATOM 1740 CB LEU B 65 1.993 5.364 4.832 1.00 0.00 C ATOM 1741 CG LEU B 65 1.273 4.033 5.084 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.200 4.249 5.357 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.458 3.081 3.926 1.00 0.00 C ATOM 0 H LEU B 65 3.834 7.379 5.117 1.00 0.00 H new ATOM 0 HA LEU B 65 1.808 6.090 6.841 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.291 6.061 4.375 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.793 5.199 4.110 1.00 0.00 H new ATOM 0 HG LEU B 65 1.723 3.585 5.970 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.683 3.287 5.532 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.318 4.880 6.238 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.662 4.736 4.498 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.936 2.147 4.136 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.052 3.528 3.019 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.520 2.879 3.787 1.00 0.00 H new ATOM 1755 N GLN B 66 3.433 4.226 7.485 1.00 0.00 N ATOM 1756 CA GLN B 66 4.417 3.319 8.046 1.00 0.00 C ATOM 1757 C GLN B 66 3.941 1.878 7.927 1.00 0.00 C ATOM 1758 O GLN B 66 2.862 1.535 8.405 1.00 0.00 O ATOM 1759 CB GLN B 66 4.635 3.656 9.515 1.00 0.00 C ATOM 1760 CG GLN B 66 5.686 2.798 10.200 1.00 0.00 C ATOM 1761 CD GLN B 66 5.999 3.277 11.602 1.00 0.00 C ATOM 1762 OE1 GLN B 66 7.018 4.112 11.725 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.332 2.897 12.565 1.00 0.00 N flip ATOM 0 H GLN B 66 2.490 4.088 7.848 1.00 0.00 H new ATOM 0 HA GLN B 66 5.351 3.430 7.495 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.927 4.703 9.597 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.689 3.546 10.046 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.338 1.766 10.241 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.599 2.803 9.605 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.554 2.252 12.424 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.557 3.227 13.503 1.00 0.00 H new ATOM 1772 N LEU B 67 4.733 1.044 7.284 1.00 0.00 N ATOM 1773 CA LEU B 67 4.386 -0.360 7.137 1.00 0.00 C ATOM 1774 C LEU B 67 5.051 -1.184 8.224 1.00 0.00 C ATOM 1775 O LEU B 67 6.266 -1.353 8.215 1.00 0.00 O ATOM 1776 CB LEU B 67 4.821 -0.890 5.774 1.00 0.00 C ATOM 1777 CG LEU B 67 3.988 -0.418 4.589 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.429 -1.142 3.330 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.506 -0.649 4.846 1.00 0.00 C ATOM 0 H LEU B 67 5.619 1.310 6.855 1.00 0.00 H new ATOM 0 HA LEU B 67 3.303 -0.445 7.222 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.858 -0.600 5.605 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.796 -1.979 5.802 1.00 0.00 H new ATOM 0 HG LEU B 67 4.144 0.653 4.455 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.830 -0.801 2.485 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.481 -0.930 3.138 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.293 -2.216 3.461 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.930 -0.305 3.987 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.325 -1.713 5.002 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.200 -0.095 5.734 1.00 0.00 H new ATOM 1791 N VAL B 68 4.263 -1.683 9.163 1.00 0.00 N ATOM 1792 CA VAL B 68 4.805 -2.504 10.231 1.00 0.00 C ATOM 1793 C VAL B 68 4.690 -3.966 9.845 1.00 0.00 C ATOM 1794 O VAL B 68 3.590 -4.516 9.740 1.00 0.00 O ATOM 1795 CB VAL B 68 4.109 -2.252 11.586 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.494 -3.318 12.602 1.00 0.00 C ATOM 1797 CG2 VAL B 68 4.482 -0.883 12.113 1.00 0.00 C ATOM 0 H VAL B 68 3.255 -1.535 9.207 1.00 0.00 H new ATOM 0 HA VAL B 68 5.852 -2.230 10.362 1.00 0.00 H new ATOM 0 HB VAL B 68 3.031 -2.298 11.429 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.991 -3.118 13.548 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.194 -4.298 12.232 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.573 -3.302 12.755 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.987 -0.714 13.069 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.562 -0.827 12.249 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.166 -0.121 11.401 1.00 0.00 H new ATOM 1807 N LEU B 69 5.832 -4.584 9.625 1.00 0.00 N ATOM 1808 CA LEU B 69 5.875 -5.971 9.220 1.00 0.00 C ATOM 1809 C LEU B 69 5.636 -6.899 10.413 1.00 0.00 C ATOM 1810 O LEU B 69 5.308 -6.443 11.513 1.00 0.00 O ATOM 1811 CB LEU B 69 7.194 -6.289 8.524 1.00 0.00 C ATOM 1812 CG LEU B 69 7.533 -5.422 7.303 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.361 -6.220 6.318 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.291 -4.867 6.625 1.00 0.00 C ATOM 0 H LEU B 69 6.747 -4.143 9.721 1.00 0.00 H new ATOM 0 HA LEU B 69 5.070 -6.142 8.505 1.00 0.00 H new ATOM 0 HB2 LEU B 69 8.000 -6.189 9.251 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.175 -7.333 8.210 1.00 0.00 H new ATOM 0 HG LEU B 69 8.110 -4.568 7.657 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.598 -5.599 5.454 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.285 -6.543 6.797 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.797 -7.094 5.992 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.584 -4.261 5.768 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.661 -5.691 6.289 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.735 -4.251 7.332 1.00 0.00 H new ATOM 1826 N HIS B 70 5.809 -8.193 10.198 1.00 0.00 N ATOM 1827 CA HIS B 70 5.561 -9.189 11.241 1.00 0.00 C ATOM 1828 C HIS B 70 6.605 -9.192 12.357 1.00 0.00 C ATOM 1829 O HIS B 70 6.258 -9.422 13.514 1.00 0.00 O ATOM 1830 CB HIS B 70 5.462 -10.586 10.628 1.00 0.00 C ATOM 1831 CG HIS B 70 4.293 -10.747 9.710 1.00 0.00 C ATOM 1832 ND1 HIS B 70 3.007 -10.369 10.029 1.00 0.00 N ATOM 1833 CD2 HIS B 70 4.236 -11.237 8.448 1.00 0.00 C ATOM 1834 CE1 HIS B 70 2.229 -10.630 8.973 1.00 0.00 C ATOM 1835 NE2 HIS B 70 2.927 -11.159 7.989 1.00 0.00 N ATOM 0 H HIS B 70 6.121 -8.584 9.309 1.00 0.00 H new ATOM 0 HA HIS B 70 4.614 -8.907 11.702 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.379 -10.800 10.079 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.391 -11.322 11.428 1.00 0.00 H new ATOM 0 HD2 HIS B 70 5.074 -11.626 7.889 1.00 0.00 H new ATOM 0 HE1 HIS B 70 1.168 -10.433 8.932 1.00 0.00 H new ATOM 0 HE2 HIS B 70 2.578 -11.452 7.076 1.00 0.00 H new ATOM 1843 N ALA B 71 7.862 -8.920 12.034 1.00 0.00 N ATOM 1844 CA ALA B 71 8.918 -8.944 13.045 1.00 0.00 C ATOM 1845 C ALA B 71 9.111 -7.582 13.701 1.00 0.00 C ATOM 1846 O ALA B 71 10.062 -7.373 14.453 1.00 0.00 O ATOM 1847 CB ALA B 71 10.224 -9.428 12.431 1.00 0.00 C ATOM 0 H ALA B 71 8.176 -8.683 11.093 1.00 0.00 H new ATOM 0 HA ALA B 71 8.610 -9.640 13.826 1.00 0.00 H new ATOM 0 HB1 ALA B 71 11.002 -9.441 13.194 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.088 -10.434 12.034 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.518 -8.756 11.625 1.00 0.00 H new ATOM 1853 N GLY B 72 8.194 -6.665 13.435 1.00 0.00 N ATOM 1854 CA GLY B 72 8.297 -5.335 14.001 1.00 0.00 C ATOM 1855 C GLY B 72 9.047 -4.410 13.074 1.00 0.00 C ATOM 1856 O GLY B 72 9.496 -3.335 13.471 1.00 0.00 O ATOM 0 H GLY B 72 7.381 -6.817 12.838 1.00 0.00 H new ATOM 0 HA2 GLY B 72 7.300 -4.937 14.189 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.807 -5.384 14.963 1.00 0.00 H new ATOM 1860 N ASP B 73 9.171 -4.847 11.832 1.00 0.00 N ATOM 1861 CA ASP B 73 9.859 -4.094 10.800 1.00 0.00 C ATOM 1862 C ASP B 73 8.988 -2.925 10.397 1.00 0.00 C ATOM 1863 O ASP B 73 7.767 -3.010 10.496 1.00 0.00 O ATOM 1864 CB ASP B 73 10.127 -4.979 9.578 1.00 0.00 C ATOM 1865 CG ASP B 73 10.398 -6.429 9.939 1.00 0.00 C ATOM 1866 OD1 ASP B 73 11.563 -6.861 9.835 1.00 0.00 O ATOM 1867 OD2 ASP B 73 9.434 -7.140 10.319 1.00 0.00 O ATOM 0 H ASP B 73 8.795 -5.739 11.511 1.00 0.00 H new ATOM 0 HA ASP B 73 10.815 -3.740 11.185 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.269 -4.932 8.908 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.981 -4.582 9.030 1.00 0.00 H new ATOM 1872 N THR B 74 9.585 -1.842 9.946 1.00 0.00 N ATOM 1873 CA THR B 74 8.794 -0.688 9.565 1.00 0.00 C ATOM 1874 C THR B 74 9.351 0.012 8.336 1.00 0.00 C ATOM 1875 O THR B 74 10.545 0.303 8.256 1.00 0.00 O ATOM 1876 CB THR B 74 8.718 0.341 10.714 1.00 0.00 C ATOM 1877 OG1 THR B 74 10.040 0.646 11.179 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.882 -0.171 11.876 1.00 0.00 C ATOM 0 H THR B 74 10.593 -1.735 9.835 1.00 0.00 H new ATOM 0 HA THR B 74 7.799 -1.070 9.336 1.00 0.00 H new ATOM 0 HB THR B 74 8.240 1.239 10.323 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.656 0.675 10.417 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.853 0.582 12.663 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.868 -0.375 11.532 1.00 0.00 H new ATOM 0 HG23 THR B 74 8.324 -1.087 12.267 1.00 0.00 H new ATOM 1886 N THR B 75 8.473 0.274 7.386 1.00 0.00 N ATOM 1887 CA THR B 75 8.841 0.972 6.172 1.00 0.00 C ATOM 1888 C THR B 75 8.092 2.301 6.109 1.00 0.00 C ATOM 1889 O THR B 75 6.872 2.327 5.934 1.00 0.00 O ATOM 1890 CB THR B 75 8.520 0.129 4.927 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.620 -1.267 5.244 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.474 0.467 3.793 1.00 0.00 C ATOM 0 H THR B 75 7.489 0.010 7.435 1.00 0.00 H new ATOM 0 HA THR B 75 9.916 1.152 6.186 1.00 0.00 H new ATOM 0 HB THR B 75 7.503 0.356 4.608 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.092 -1.733 4.523 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.231 -0.140 2.920 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.378 1.523 3.539 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.498 0.261 4.105 1.00 0.00 H new ATOM 1900 N ASN B 76 8.820 3.397 6.279 1.00 0.00 N ATOM 1901 CA ASN B 76 8.220 4.729 6.267 1.00 0.00 C ATOM 1902 C ASN B 76 8.176 5.337 4.879 1.00 0.00 C ATOM 1903 O ASN B 76 9.158 5.313 4.142 1.00 0.00 O ATOM 1904 CB ASN B 76 8.981 5.674 7.195 1.00 0.00 C ATOM 1905 CG ASN B 76 8.428 5.686 8.599 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.576 6.810 9.270 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.874 4.699 9.078 1.00 0.00 N flip ATOM 0 H ASN B 76 9.829 3.392 6.427 1.00 0.00 H new ATOM 0 HA ASN B 76 7.195 4.603 6.616 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.030 5.380 7.225 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.945 6.684 6.787 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.780 3.848 8.524 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.508 4.731 10.030 1.00 0.00 H new ATOM 1914 N PHE B 77 7.022 5.889 4.540 1.00 0.00 N ATOM 1915 CA PHE B 77 6.824 6.543 3.261 1.00 0.00 C ATOM 1916 C PHE B 77 6.297 7.955 3.481 1.00 0.00 C ATOM 1917 O PHE B 77 5.132 8.145 3.835 1.00 0.00 O ATOM 1918 CB PHE B 77 5.847 5.743 2.394 1.00 0.00 C ATOM 1919 CG PHE B 77 6.324 4.354 2.081 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.476 4.153 1.338 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.620 3.249 2.532 1.00 0.00 C ATOM 1922 CE1 PHE B 77 7.917 2.876 1.053 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.058 1.970 2.249 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.207 1.784 1.508 1.00 0.00 C ATOM 0 H PHE B 77 6.200 5.895 5.143 1.00 0.00 H new ATOM 0 HA PHE B 77 7.781 6.595 2.741 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.886 5.682 2.905 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.678 6.280 1.460 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.035 5.004 0.978 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.719 3.389 3.111 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.817 2.732 0.474 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.502 1.116 2.607 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.550 0.785 1.284 1.00 0.00 H new ATOM 1934 N HIS B 78 7.167 8.936 3.294 1.00 0.00 N ATOM 1935 CA HIS B 78 6.805 10.336 3.465 1.00 0.00 C ATOM 1936 C HIS B 78 6.235 10.882 2.167 1.00 0.00 C ATOM 1937 O HIS B 78 6.933 10.971 1.162 1.00 0.00 O ATOM 1938 CB HIS B 78 8.042 11.142 3.908 1.00 0.00 C ATOM 1939 CG HIS B 78 7.909 12.642 3.829 1.00 0.00 C ATOM 1940 ND1 HIS B 78 6.806 13.435 3.763 1.00 0.00 N flip ATOM 1941 CD2 HIS B 78 8.987 13.498 3.791 1.00 0.00 C flip ATOM 1942 CE1 HIS B 78 7.204 14.766 3.678 1.00 0.00 C flip ATOM 1943 NE2 HIS B 78 8.522 14.748 3.698 1.00 0.00 N flip ATOM 0 H HIS B 78 8.138 8.786 3.021 1.00 0.00 H new ATOM 0 HA HIS B 78 6.042 10.425 4.238 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.280 10.871 4.936 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.890 10.838 3.294 1.00 0.00 H new ATOM 0 HD2 HIS B 78 10.027 13.210 3.830 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.565 15.634 3.610 1.00 0.00 H new ATOM 0 HE2 HIS B 78 9.111 15.580 3.649 1.00 0.00 H new ATOM 1951 N PHE B 79 4.965 11.245 2.192 1.00 0.00 N ATOM 1952 CA PHE B 79 4.315 11.788 1.015 1.00 0.00 C ATOM 1953 C PHE B 79 4.715 13.247 0.832 1.00 0.00 C ATOM 1954 O PHE B 79 3.960 14.159 1.162 1.00 0.00 O ATOM 1955 CB PHE B 79 2.796 11.649 1.133 1.00 0.00 C ATOM 1956 CG PHE B 79 2.334 10.221 1.225 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.892 9.550 0.098 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.340 9.549 2.437 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.466 8.239 0.176 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.916 8.237 2.522 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.477 7.581 1.390 1.00 0.00 C ATOM 0 H PHE B 79 4.365 11.173 3.014 1.00 0.00 H new ATOM 0 HA PHE B 79 4.637 11.227 0.138 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.456 12.191 2.016 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.327 12.120 0.269 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.880 10.058 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.681 10.058 3.327 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.124 7.728 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.928 7.725 3.473 1.00 0.00 H new ATOM 0 HZ PHE B 79 1.143 6.556 1.453 1.00 0.00 H new ATOM 1971 N SER B 80 5.919 13.456 0.312 1.00 0.00 N ATOM 1972 CA SER B 80 6.452 14.792 0.084 1.00 0.00 C ATOM 1973 C SER B 80 5.873 15.420 -1.183 1.00 0.00 C ATOM 1974 O SER B 80 6.556 16.143 -1.912 1.00 0.00 O ATOM 1975 CB SER B 80 7.977 14.724 -0.004 1.00 0.00 C ATOM 1976 OG SER B 80 8.405 13.472 -0.517 1.00 0.00 O ATOM 0 H SER B 80 6.552 12.705 0.037 1.00 0.00 H new ATOM 0 HA SER B 80 6.162 15.425 0.923 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.343 15.527 -0.644 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.409 14.882 0.984 1.00 0.00 H new ATOM 0 HG SER B 80 7.854 13.230 -1.291 1.00 0.00 H new ATOM 1982 N ASN B 81 4.613 15.135 -1.447 1.00 0.00 N ATOM 1983 CA ASN B 81 3.941 15.678 -2.606 1.00 0.00 C ATOM 1984 C ASN B 81 2.963 16.749 -2.156 1.00 0.00 C ATOM 1985 O ASN B 81 1.817 16.460 -1.844 1.00 0.00 O ATOM 1986 CB ASN B 81 3.223 14.576 -3.387 1.00 0.00 C ATOM 1987 CG ASN B 81 3.094 14.912 -4.859 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.925 15.630 -5.417 1.00 0.00 O ATOM 1989 ND2 ASN B 81 2.071 14.382 -5.503 1.00 0.00 N ATOM 0 H ASN B 81 4.033 14.527 -0.869 1.00 0.00 H new ATOM 0 HA ASN B 81 4.679 16.122 -3.274 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.769 13.639 -3.276 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.231 14.419 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.947 14.562 -6.499 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.404 13.793 -5.004 1.00 0.00 H new ATOM 1996 N GLU B 82 3.441 17.985 -2.114 1.00 0.00 N ATOM 1997 CA GLU B 82 2.645 19.139 -1.684 1.00 0.00 C ATOM 1998 C GLU B 82 1.295 19.227 -2.401 1.00 0.00 C ATOM 1999 O GLU B 82 0.345 19.810 -1.880 1.00 0.00 O ATOM 2000 CB GLU B 82 3.440 20.437 -1.908 1.00 0.00 C ATOM 2001 CG GLU B 82 3.693 20.781 -3.377 1.00 0.00 C ATOM 2002 CD GLU B 82 4.425 19.685 -4.127 1.00 0.00 C ATOM 2003 OE1 GLU B 82 5.567 19.355 -3.743 1.00 0.00 O ATOM 2004 OE2 GLU B 82 3.847 19.117 -5.074 1.00 0.00 O ATOM 0 H GLU B 82 4.397 18.222 -2.378 1.00 0.00 H new ATOM 0 HA GLU B 82 2.437 19.005 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU B 82 2.902 21.263 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU B 82 4.399 20.353 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU B 82 2.739 20.975 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.273 21.702 -3.434 1.00 0.00 H new ATOM 2011 N SER B 83 1.217 18.638 -3.584 1.00 0.00 N ATOM 2012 CA SER B 83 0.004 18.660 -4.378 1.00 0.00 C ATOM 2013 C SER B 83 -1.095 17.760 -3.793 1.00 0.00 C ATOM 2014 O SER B 83 -2.199 18.227 -3.507 1.00 0.00 O ATOM 2015 CB SER B 83 0.343 18.236 -5.806 1.00 0.00 C ATOM 2016 OG SER B 83 1.653 17.687 -5.869 1.00 0.00 O ATOM 0 H SER B 83 1.991 18.134 -4.017 1.00 0.00 H new ATOM 0 HA SER B 83 -0.393 19.675 -4.371 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.382 17.500 -6.154 1.00 0.00 H new ATOM 0 HB3 SER B 83 0.271 19.095 -6.473 1.00 0.00 H new ATOM 0 HG SER B 83 2.311 18.389 -5.683 1.00 0.00 H new ATOM 2022 N THR B 84 -0.802 16.476 -3.608 1.00 0.00 N ATOM 2023 CA THR B 84 -1.804 15.545 -3.092 1.00 0.00 C ATOM 2024 C THR B 84 -1.281 14.665 -1.951 1.00 0.00 C ATOM 2025 O THR B 84 -1.697 13.518 -1.821 1.00 0.00 O ATOM 2026 CB THR B 84 -2.318 14.639 -4.228 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.285 14.448 -5.204 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.544 15.243 -4.895 1.00 0.00 C ATOM 0 H THR B 84 0.108 16.059 -3.804 1.00 0.00 H new ATOM 0 HA THR B 84 -2.611 16.157 -2.689 1.00 0.00 H new ATOM 0 HB THR B 84 -2.598 13.678 -3.797 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.519 14.001 -4.787 1.00 0.00 H new ATOM 0 HG21 THR B 84 -3.886 14.584 -5.693 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.338 15.362 -4.158 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.288 16.216 -5.313 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.418 15.219 -1.105 1.00 0.00 N ATOM 2037 CA ALA B 85 0.174 14.473 0.016 1.00 0.00 C ATOM 2038 C ALA B 85 -0.871 13.786 0.882 1.00 0.00 C ATOM 2039 O ALA B 85 -0.772 12.594 1.162 1.00 0.00 O ATOM 2040 CB ALA B 85 1.011 15.394 0.892 1.00 0.00 C ATOM 0 H ALA B 85 -0.107 16.188 -1.170 1.00 0.00 H new ATOM 0 HA ALA B 85 0.803 13.703 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.440 14.823 1.715 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.813 15.832 0.298 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.380 16.188 1.291 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.877 14.541 1.292 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.921 14.011 2.152 1.00 0.00 C ATOM 2048 C VAL B 86 -3.774 12.988 1.405 1.00 0.00 C ATOM 2049 O VAL B 86 -4.087 11.921 1.927 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.813 15.151 2.692 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -5.044 14.605 3.396 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -3.034 16.050 3.630 1.00 0.00 C ATOM 0 H VAL B 86 -1.992 15.523 1.043 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.441 13.513 2.994 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.142 15.740 1.836 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.650 15.433 3.764 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.630 14.010 2.695 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.736 13.980 4.234 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.684 16.844 3.996 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.666 15.465 4.473 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.191 16.489 3.097 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.102 13.305 0.162 1.00 0.00 N ATOM 2063 CA LYS B 87 -4.935 12.434 -0.659 1.00 0.00 C ATOM 2064 C LYS B 87 -4.238 11.120 -0.983 1.00 0.00 C ATOM 2065 O LYS B 87 -4.800 10.053 -0.768 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.329 13.142 -1.949 1.00 0.00 C ATOM 2067 CG LYS B 87 -6.279 14.307 -1.734 1.00 0.00 C ATOM 2068 CD LYS B 87 -6.625 14.981 -3.047 1.00 0.00 C ATOM 2069 CE LYS B 87 -7.930 14.451 -3.637 1.00 0.00 C ATOM 2070 NZ LYS B 87 -8.053 12.970 -3.520 1.00 0.00 N ATOM 0 H LYS B 87 -3.804 14.162 -0.304 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.830 12.203 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.429 13.504 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.796 12.422 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.191 13.952 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -5.823 15.032 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.708 16.057 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -5.815 14.824 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.772 14.923 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.991 14.735 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.914 12.653 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.223 12.517 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.108 12.704 -2.516 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.015 11.203 -1.493 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.258 10.013 -1.852 1.00 0.00 C ATOM 2086 C GLU B 88 -1.983 9.161 -0.619 1.00 0.00 C ATOM 2087 O GLU B 88 -1.979 7.932 -0.696 1.00 0.00 O ATOM 2088 CB GLU B 88 -0.958 10.404 -2.557 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.192 11.069 -3.907 1.00 0.00 C ATOM 2090 CD GLU B 88 0.077 11.594 -4.549 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.668 10.882 -5.394 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.473 12.734 -4.235 1.00 0.00 O ATOM 0 H GLU B 88 -2.528 12.082 -1.667 1.00 0.00 H new ATOM 0 HA GLU B 88 -2.851 9.415 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.393 11.082 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.345 9.514 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.661 10.351 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -1.894 11.893 -3.781 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.770 9.813 0.522 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.533 9.096 1.769 1.00 0.00 C ATOM 2101 C ARG B 89 -2.763 8.289 2.133 1.00 0.00 C ATOM 2102 O ARG B 89 -2.674 7.104 2.445 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.196 10.064 2.909 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.027 9.391 4.271 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.305 9.461 5.101 1.00 0.00 C ATOM 2106 NE ARG B 89 -2.047 9.882 6.480 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.924 10.552 7.239 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -4.117 10.892 6.765 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.600 10.897 8.477 1.00 0.00 N ATOM 0 H ARG B 89 -1.757 10.829 0.607 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.682 8.430 1.624 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.276 10.594 2.661 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -1.985 10.812 2.981 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.743 8.348 4.128 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.214 9.871 4.815 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.001 10.158 4.635 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.787 8.483 5.106 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.142 9.650 6.888 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.376 10.643 5.810 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.774 11.402 7.355 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.683 10.652 8.851 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.267 11.407 9.055 1.00 0.00 H new ATOM 2123 N ASP B 90 -3.909 8.945 2.083 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.172 8.307 2.414 1.00 0.00 C ATOM 2125 C ASP B 90 -5.545 7.267 1.379 1.00 0.00 C ATOM 2126 O ASP B 90 -6.108 6.232 1.721 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.280 9.342 2.570 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.377 9.827 3.999 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.462 9.700 4.599 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -5.350 10.282 4.542 1.00 0.00 O ATOM 0 H ASP B 90 -3.991 9.926 1.815 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.049 7.798 3.370 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.088 10.187 1.909 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.232 8.908 2.265 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.223 7.535 0.120 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.501 6.589 -0.944 1.00 0.00 C ATOM 2137 C ALA B 91 -4.770 5.286 -0.660 1.00 0.00 C ATOM 2138 O ALA B 91 -5.325 4.203 -0.812 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.089 7.162 -2.293 1.00 0.00 C ATOM 0 H ALA B 91 -4.771 8.397 -0.185 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.573 6.394 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.306 6.437 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.645 8.080 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.021 7.380 -2.285 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.521 5.408 -0.219 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.705 4.248 0.119 1.00 0.00 C ATOM 2147 C VAL B 92 -3.181 3.629 1.426 1.00 0.00 C ATOM 2148 O VAL B 92 -3.311 2.416 1.540 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.211 4.630 0.263 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.395 3.466 0.808 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.643 5.088 -1.067 1.00 0.00 C ATOM 0 H VAL B 92 -3.051 6.304 -0.087 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.809 3.530 -0.694 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.148 5.454 0.974 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.649 3.764 0.898 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.777 3.181 1.788 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.473 2.617 0.128 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.407 5.351 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.731 4.283 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.196 5.959 -1.418 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.473 4.486 2.391 1.00 0.00 N ATOM 2162 CA LYS B 93 -3.912 4.065 3.713 1.00 0.00 C ATOM 2163 C LYS B 93 -5.214 3.274 3.640 1.00 0.00 C ATOM 2164 O LYS B 93 -5.301 2.151 4.146 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.089 5.302 4.600 1.00 0.00 C ATOM 2166 CG LYS B 93 -4.502 4.995 6.026 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.923 5.455 6.311 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.036 6.967 6.262 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.386 7.411 5.818 1.00 0.00 N ATOM 0 H LYS B 93 -3.412 5.498 2.279 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.154 3.409 4.142 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.152 5.859 4.618 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.838 5.953 4.150 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.424 3.923 6.205 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.816 5.484 6.717 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.603 5.014 5.582 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.233 5.097 7.293 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.825 7.379 7.249 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.282 7.365 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.363 8.428 5.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.662 6.883 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.076 7.233 6.575 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.209 3.862 2.992 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.521 3.246 2.847 1.00 0.00 C ATOM 2185 C ASP B 94 -7.461 2.001 1.971 1.00 0.00 C ATOM 2186 O ASP B 94 -8.131 0.996 2.238 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.512 4.256 2.271 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.234 5.039 3.350 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.562 5.692 4.180 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.483 4.983 3.389 1.00 0.00 O ATOM 0 H ASP B 94 -6.130 4.779 2.552 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.859 2.936 3.836 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.982 4.948 1.617 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.243 3.732 1.655 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.636 2.052 0.944 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.495 0.918 0.043 1.00 0.00 C ATOM 2197 C LEU B 95 -5.725 -0.183 0.746 1.00 0.00 C ATOM 2198 O LEU B 95 -5.885 -1.354 0.433 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.798 1.317 -1.261 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.926 0.308 -2.406 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.388 0.094 -2.772 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.139 0.775 -3.620 1.00 0.00 C ATOM 0 H LEU B 95 -6.056 2.858 0.711 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.489 0.558 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.204 2.272 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.739 1.475 -1.054 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.512 -0.643 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.457 -0.626 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.928 -0.286 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.827 1.041 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.242 0.045 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.523 1.739 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.087 0.876 -3.355 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.883 0.196 1.699 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.146 -0.787 2.460 1.00 0.00 C ATOM 2216 C LEU B 96 -5.115 -1.549 3.340 1.00 0.00 C ATOM 2217 O LEU B 96 -5.144 -2.766 3.295 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.030 -0.160 3.274 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.691 -0.081 2.547 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.646 0.566 3.430 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.235 -1.465 2.114 1.00 0.00 C ATOM 0 H LEU B 96 -4.699 1.166 1.956 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.662 -1.477 1.769 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.331 0.846 3.567 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.899 -0.734 4.191 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.821 0.534 1.656 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.303 0.614 2.896 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.966 1.574 3.693 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.521 -0.024 4.338 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.278 -1.388 1.597 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.123 -2.102 2.991 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.976 -1.899 1.443 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.921 -0.844 4.147 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.937 -1.514 4.951 1.00 0.00 C ATOM 2235 C GLN B 97 -7.895 -2.319 4.056 1.00 0.00 C ATOM 2236 O GLN B 97 -8.695 -3.115 4.545 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.706 -0.499 5.792 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.789 0.873 5.166 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.891 1.989 6.182 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.398 3.069 5.892 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.448 1.728 7.386 1.00 0.00 N ATOM 0 H GLN B 97 -5.887 0.170 4.255 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.439 -2.211 5.625 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.716 -0.872 5.962 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.229 -0.414 6.768 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.908 1.035 4.545 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.655 0.912 4.506 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.033 0.819 7.591 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.518 2.433 8.119 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.847 -2.052 2.752 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.643 -2.785 1.769 1.00 0.00 C ATOM 2252 C GLN B 98 -7.901 -4.008 1.205 1.00 0.00 C ATOM 2253 O GLN B 98 -8.491 -5.072 1.032 1.00 0.00 O ATOM 2254 CB GLN B 98 -9.051 -1.860 0.625 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.384 -1.191 0.857 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.499 -2.201 0.982 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.781 -2.608 2.205 1.00 0.00 O flip ATOM 2258 NE2 GLN B 98 -12.094 -2.618 -0.005 1.00 0.00 N flip ATOM 0 H GLN B 98 -7.257 -1.324 2.348 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.530 -3.149 2.287 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.285 -1.096 0.492 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.094 -2.433 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.336 -0.587 1.763 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.599 -0.511 0.032 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.844 -2.277 -0.933 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.839 -3.306 0.102 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.616 -3.854 0.911 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.819 -4.945 0.348 1.00 0.00 C ATOM 2269 C LEU B 99 -5.191 -5.829 1.422 1.00 0.00 C ATOM 2270 O LEU B 99 -5.055 -7.038 1.231 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.732 -4.382 -0.563 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.205 -4.016 -1.967 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.148 -3.203 -2.694 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.547 -5.270 -2.754 1.00 0.00 C ATOM 0 H LEU B 99 -6.100 -2.985 1.052 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.499 -5.573 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.307 -3.494 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.929 -5.115 -0.644 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.104 -3.406 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.505 -2.952 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.949 -2.286 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.230 -3.786 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.883 -4.992 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.663 -5.903 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.341 -5.815 -2.243 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.810 -5.224 2.541 1.00 0.00 N ATOM 2287 CA LEU B 100 -4.188 -5.949 3.648 1.00 0.00 C ATOM 2288 C LEU B 100 -5.042 -7.141 4.118 1.00 0.00 C ATOM 2289 O LEU B 100 -4.496 -8.214 4.331 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.861 -4.998 4.818 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.564 -4.185 4.637 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.448 -3.052 5.661 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.356 -5.102 4.731 1.00 0.00 C ATOM 0 H LEU B 100 -4.921 -4.224 2.708 1.00 0.00 H new ATOM 0 HA LEU B 100 -3.251 -6.362 3.274 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.693 -4.306 4.951 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.783 -5.583 5.734 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.598 -3.729 3.648 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.519 -2.506 5.496 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.293 -2.373 5.549 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.449 -3.470 6.668 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.445 -4.518 4.602 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -1.342 -5.586 5.708 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.414 -5.861 3.951 1.00 0.00 H new