USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 LYS NZ :NH3+ -152:sc= 1.93 (180deg=-1.05!) USER MOD Set 1.2: B 81 ASN : amide:sc= 2.01 K(o=5,f=-9.1!) USER MOD Set 1.3: B 83 SER OG : rot 180:sc= 0.0458 USER MOD Set 1.4: B 84 THR OG1 : rot 88:sc= 0.977 USER MOD Set 2.1: B 66 GLN : amide:sc= 1.08 X(o=-4,f=-3.8) USER MOD Set 2.2: B 76 ASN : amide:sc= -5.06! C(o=-4!,f=-3.8!) USER MOD Set 3.1: B 56 SER OG : rot 127:sc= 0.106 USER MOD Set 3.2: B 64 GLN : amide:sc= -2.27! K(o=-5!,f=-5.9) USER MOD Set 3.3: B 78 HIS : no HD1:sc= -2.79 K(o=-5,f=-5.7!) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -1.89! C(o=-0.97!,f=-3.7!) USER MOD Set 4.2: B 75 THR OG1 : rot -136:sc= 0.913 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -149:sc= 1.21 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 180:sc= 1.06 USER MOD Set 6.1: A 414 LYS NZ :NH3+ 142:sc= 2.19 (180deg=-0.131) USER MOD Set 6.2: B 97 GLN : amide:sc= -6.65! C(o=-4.5!,f=-16!) USER MOD Single : B 17 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.36) USER MOD Single : B 18 LYS NZ :NH3+ 163:sc= 1.01 (180deg=0.349) USER MOD Single : B 19 LYS NZ :NH3+ -152:sc= -0.174 (180deg=-0.778) USER MOD Single : B 20 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : B 27 MET CE :methyl 177:sc=-0.00527 (180deg=-0.0134) USER MOD Single : B 42 THR OG1 : rot -12:sc= 0.54 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -139:sc= -0.423 (180deg=-1.52!) USER MOD Single : B 47 TYR OH : rot 94:sc= 0.037 USER MOD Single : B 51 LYS NZ :NH3+ -174:sc= 1.81 (180deg=1.64) USER MOD Single : B 52 CYS SG : rot 123:sc= 1.21 USER MOD Single : B 53 GLN : amide:sc= -3.27! C(o=-3.3!,f=-9.5!) USER MOD Single : B 54 LYS NZ :NH3+ 164:sc= 0.365 (180deg=-1.67!) USER MOD Single : B 60 LYS NZ :NH3+ -169:sc= 0.868 (180deg=0.498) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= 0.146 K(o=0.15,f=-3.1) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 42:sc= 1.21 USER MOD Single : B 87 LYS NZ :NH3+ 158:sc= 1.3 (180deg=1.14) USER MOD Single : B 93 LYS NZ :NH3+ 172:sc= 2.35 (180deg=2.08) USER MOD Single : B 98 GLN : amide:sc= -2.07! C(o=-2.1!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.984 9.055 11.946 1.00 0.00 N ATOM 230 CA ASP A 405 9.760 7.625 12.129 1.00 0.00 C ATOM 231 C ASP A 405 8.746 7.374 13.230 1.00 0.00 C ATOM 232 O ASP A 405 8.316 6.239 13.447 1.00 0.00 O ATOM 233 CB ASP A 405 11.070 6.896 12.459 1.00 0.00 C ATOM 234 CG ASP A 405 12.129 7.042 11.380 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.796 6.935 10.179 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.308 7.263 11.732 1.00 0.00 O ATOM 0 HA ASP A 405 9.370 7.233 11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.464 7.281 13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.860 5.837 12.611 1.00 0.00 H new ATOM 241 N GLU A 406 8.350 8.432 13.915 1.00 0.00 N ATOM 242 CA GLU A 406 7.390 8.314 14.992 1.00 0.00 C ATOM 243 C GLU A 406 6.120 9.071 14.674 1.00 0.00 C ATOM 244 O GLU A 406 5.999 9.669 13.612 1.00 0.00 O ATOM 245 CB GLU A 406 7.963 8.817 16.325 1.00 0.00 C ATOM 246 CG GLU A 406 8.909 10.014 16.221 1.00 0.00 C ATOM 247 CD GLU A 406 8.418 11.122 15.305 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.808 11.126 14.124 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.648 11.990 15.766 1.00 0.00 O ATOM 0 H GLU A 406 8.680 9.382 13.743 1.00 0.00 H new ATOM 0 HA GLU A 406 7.161 7.253 15.093 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.134 9.086 16.979 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.495 7.996 16.806 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.066 10.426 17.218 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.878 9.666 15.864 1.00 0.00 H new ATOM 256 N ASP A 407 5.182 9.022 15.611 1.00 0.00 N ATOM 257 CA ASP A 407 3.912 9.694 15.483 1.00 0.00 C ATOM 258 C ASP A 407 3.173 9.237 14.238 1.00 0.00 C ATOM 259 O ASP A 407 3.002 9.989 13.288 1.00 0.00 O ATOM 260 CB ASP A 407 4.066 11.210 15.528 1.00 0.00 C ATOM 261 CG ASP A 407 2.734 11.929 15.618 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.655 13.087 15.158 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.771 11.334 16.149 1.00 0.00 O ATOM 0 H ASP A 407 5.290 8.508 16.486 1.00 0.00 H new ATOM 0 HA ASP A 407 3.305 9.415 16.344 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.681 11.484 16.385 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.596 11.544 14.636 1.00 0.00 H new ATOM 268 N PHE A 408 2.834 7.950 14.220 1.00 0.00 N ATOM 269 CA PHE A 408 2.053 7.366 13.151 1.00 0.00 C ATOM 270 C PHE A 408 0.851 6.725 13.788 1.00 0.00 C ATOM 271 O PHE A 408 0.975 5.909 14.704 1.00 0.00 O ATOM 272 CB PHE A 408 2.831 6.310 12.348 1.00 0.00 C ATOM 273 CG PHE A 408 3.878 6.860 11.430 1.00 0.00 C ATOM 274 CD1 PHE A 408 5.028 7.436 11.930 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.708 6.799 10.060 1.00 0.00 C ATOM 276 CE1 PHE A 408 5.982 7.947 11.082 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.661 7.305 9.207 1.00 0.00 C ATOM 278 CZ PHE A 408 5.798 7.882 9.720 1.00 0.00 C ATOM 0 H PHE A 408 3.097 7.288 14.950 1.00 0.00 H new ATOM 0 HA PHE A 408 1.781 8.150 12.444 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.307 5.622 13.047 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.122 5.728 11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.180 7.486 12.998 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.815 6.348 9.654 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.876 8.400 11.485 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.516 7.249 8.138 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.547 8.284 9.054 1.00 0.00 H new ATOM 288 N VAL A 409 -0.302 7.096 13.305 1.00 0.00 N ATOM 289 CA VAL A 409 -1.529 6.586 13.818 1.00 0.00 C ATOM 290 C VAL A 409 -1.834 5.290 13.137 1.00 0.00 C ATOM 291 O VAL A 409 -1.933 5.225 11.917 1.00 0.00 O ATOM 292 CB VAL A 409 -2.619 7.646 13.661 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.312 8.694 14.657 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.624 8.284 12.310 1.00 0.00 C ATOM 0 H VAL A 409 -0.410 7.764 12.541 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.464 6.371 14.885 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.593 7.176 13.797 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.059 9.485 14.595 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.325 8.260 15.657 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.325 9.110 14.455 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.420 9.027 12.261 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.664 8.769 12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.792 7.522 11.549 1.00 0.00 H new ATOM 304 N GLU A 410 -1.932 4.253 13.938 1.00 0.00 N ATOM 305 CA GLU A 410 -2.144 2.930 13.417 1.00 0.00 C ATOM 306 C GLU A 410 -3.375 2.860 12.534 1.00 0.00 C ATOM 307 O GLU A 410 -4.477 3.243 12.928 1.00 0.00 O ATOM 308 CB GLU A 410 -2.244 1.899 14.532 1.00 0.00 C ATOM 309 CG GLU A 410 -1.979 0.486 14.041 1.00 0.00 C ATOM 310 CD GLU A 410 -0.714 -0.103 14.630 1.00 0.00 C ATOM 311 OE1 GLU A 410 0.042 -0.768 13.891 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.434 0.137 15.823 1.00 0.00 O ATOM 0 H GLU A 410 -1.868 4.305 14.955 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.273 2.695 12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.530 2.147 15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.238 1.945 14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.826 -0.150 14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.902 0.491 12.954 1.00 0.00 H new ATOM 319 N VAL A 411 -3.154 2.381 11.334 1.00 0.00 N ATOM 320 CA VAL A 411 -4.192 2.217 10.359 1.00 0.00 C ATOM 321 C VAL A 411 -4.649 0.761 10.370 1.00 0.00 C ATOM 322 O VAL A 411 -3.904 -0.147 9.976 1.00 0.00 O ATOM 323 CB VAL A 411 -3.720 2.618 8.950 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.910 2.822 8.044 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.899 3.862 9.010 1.00 0.00 C ATOM 0 H VAL A 411 -2.232 2.091 11.007 1.00 0.00 H new ATOM 0 HA VAL A 411 -5.022 2.874 10.618 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.103 1.815 8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.566 3.105 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.481 1.896 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.543 3.612 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.573 4.132 8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.496 4.672 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.027 3.692 9.641 1.00 0.00 H new ATOM 335 N PRO A 412 -5.868 0.529 10.869 1.00 0.00 N ATOM 336 CA PRO A 412 -6.463 -0.809 10.973 1.00 0.00 C ATOM 337 C PRO A 412 -6.867 -1.379 9.620 1.00 0.00 C ATOM 338 O PRO A 412 -6.790 -0.693 8.604 1.00 0.00 O ATOM 339 CB PRO A 412 -7.711 -0.561 11.821 1.00 0.00 C ATOM 340 CG PRO A 412 -8.078 0.848 11.515 1.00 0.00 C ATOM 341 CD PRO A 412 -6.774 1.573 11.380 1.00 0.00 C ATOM 0 HA PRO A 412 -5.763 -1.532 11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.515 -1.249 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.506 -0.699 12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.661 0.912 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.687 1.278 12.310 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.849 2.415 10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.433 1.972 12.335 1.00 0.00 H new ATOM 349 N GLU A 413 -7.287 -2.635 9.617 1.00 0.00 N ATOM 350 CA GLU A 413 -7.730 -3.291 8.399 1.00 0.00 C ATOM 351 C GLU A 413 -9.243 -3.148 8.280 1.00 0.00 C ATOM 352 O GLU A 413 -9.932 -2.994 9.288 1.00 0.00 O ATOM 353 CB GLU A 413 -7.336 -4.768 8.409 1.00 0.00 C ATOM 354 CG GLU A 413 -5.963 -5.026 9.008 1.00 0.00 C ATOM 355 CD GLU A 413 -5.271 -6.220 8.391 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.350 -6.016 7.575 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.641 -7.366 8.715 1.00 0.00 O ATOM 0 H GLU A 413 -7.330 -3.222 10.450 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.249 -2.820 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.081 -5.331 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.355 -5.148 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.341 -4.141 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.064 -5.185 10.082 1.00 0.00 H new ATOM 364 N LYS A 414 -9.760 -3.174 7.060 1.00 0.00 N ATOM 365 CA LYS A 414 -11.194 -3.037 6.856 1.00 0.00 C ATOM 366 C LYS A 414 -11.789 -4.251 6.156 1.00 0.00 C ATOM 367 O LYS A 414 -12.824 -4.760 6.583 1.00 0.00 O ATOM 368 CB LYS A 414 -11.501 -1.762 6.079 1.00 0.00 C ATOM 369 CG LYS A 414 -11.669 -0.554 6.982 1.00 0.00 C ATOM 370 CD LYS A 414 -10.879 0.636 6.476 1.00 0.00 C ATOM 371 CE LYS A 414 -11.627 1.392 5.397 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.172 2.805 5.287 1.00 0.00 N ATOM 0 H LYS A 414 -9.215 -3.287 6.205 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.660 -2.972 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.696 -1.571 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.412 -1.906 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.725 -0.290 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.343 -0.805 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.662 1.308 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.921 0.295 6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.486 0.891 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.695 1.371 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.157 3.088 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.825 3.422 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.216 2.894 5.686 1.00 0.00 H new ATOM 786 N VAL B 8 -0.392 -2.546 -11.051 1.00 0.00 N ATOM 787 CA VAL B 8 -0.348 -1.365 -10.208 1.00 0.00 C ATOM 788 C VAL B 8 -1.758 -0.830 -10.003 1.00 0.00 C ATOM 789 O VAL B 8 -2.321 -0.175 -10.879 1.00 0.00 O ATOM 790 CB VAL B 8 0.540 -0.257 -10.815 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.753 0.865 -9.814 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.875 -0.822 -11.276 1.00 0.00 C ATOM 0 HA VAL B 8 0.087 -1.656 -9.252 1.00 0.00 H new ATOM 0 HB VAL B 8 0.025 0.150 -11.686 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.381 1.636 -10.260 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.210 1.295 -9.539 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.241 0.470 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.482 -0.022 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.397 -1.262 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.704 -1.587 -12.033 1.00 0.00 H new ATOM 802 N LEU B 9 -2.324 -1.134 -8.848 1.00 0.00 N ATOM 803 CA LEU B 9 -3.673 -0.712 -8.514 1.00 0.00 C ATOM 804 C LEU B 9 -3.696 0.742 -8.058 1.00 0.00 C ATOM 805 O LEU B 9 -4.680 1.449 -8.264 1.00 0.00 O ATOM 806 CB LEU B 9 -4.248 -1.610 -7.416 1.00 0.00 C ATOM 807 CG LEU B 9 -4.174 -3.114 -7.695 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.705 -3.901 -6.507 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.948 -3.466 -8.957 1.00 0.00 C ATOM 0 H LEU B 9 -1.864 -1.678 -8.118 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.286 -0.800 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.718 -1.403 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.291 -1.338 -7.256 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.129 -3.383 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.645 -4.968 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.107 -3.674 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.743 -3.625 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.882 -4.539 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.993 -3.182 -8.834 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.524 -2.929 -9.806 1.00 0.00 H new ATOM 821 N LEU B 10 -2.614 1.189 -7.433 1.00 0.00 N ATOM 822 CA LEU B 10 -2.549 2.567 -6.952 1.00 0.00 C ATOM 823 C LEU B 10 -1.212 3.211 -7.283 1.00 0.00 C ATOM 824 O LEU B 10 -0.157 2.626 -7.049 1.00 0.00 O ATOM 825 CB LEU B 10 -2.787 2.609 -5.446 1.00 0.00 C ATOM 826 CG LEU B 10 -3.173 3.981 -4.887 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.607 4.339 -5.246 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.988 4.013 -3.383 1.00 0.00 C ATOM 0 H LEU B 10 -1.781 0.630 -7.248 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.330 3.133 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.576 1.898 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.882 2.270 -4.941 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.514 4.722 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.851 5.319 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.715 4.363 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.283 3.592 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.267 4.996 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.619 3.253 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.944 3.813 -3.140 1.00 0.00 H new ATOM 840 N ILE B 11 -1.262 4.420 -7.824 1.00 0.00 N ATOM 841 CA ILE B 11 -0.053 5.146 -8.183 1.00 0.00 C ATOM 842 C ILE B 11 0.069 6.428 -7.367 1.00 0.00 C ATOM 843 O ILE B 11 -0.771 7.321 -7.463 1.00 0.00 O ATOM 844 CB ILE B 11 -0.022 5.494 -9.689 1.00 0.00 C ATOM 845 CG1 ILE B 11 -0.051 4.212 -10.526 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.214 6.325 -10.022 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.021 4.449 -12.020 1.00 0.00 C ATOM 0 H ILE B 11 -2.129 4.919 -8.024 1.00 0.00 H new ATOM 0 HA ILE B 11 0.790 4.492 -7.961 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.905 6.087 -9.929 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.784 3.577 -10.229 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.965 3.663 -10.299 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.218 6.560 -11.086 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.196 7.250 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.111 5.759 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.005 3.492 -12.542 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.828 5.056 -12.333 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.948 4.969 -12.262 1.00 0.00 H new ATOM 859 N VAL B 12 1.110 6.488 -6.553 1.00 0.00 N ATOM 860 CA VAL B 12 1.389 7.643 -5.710 1.00 0.00 C ATOM 861 C VAL B 12 2.678 8.300 -6.188 1.00 0.00 C ATOM 862 O VAL B 12 3.637 7.604 -6.534 1.00 0.00 O ATOM 863 CB VAL B 12 1.537 7.222 -4.234 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.626 8.435 -3.326 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.384 6.324 -3.822 1.00 0.00 C ATOM 0 H VAL B 12 1.790 5.734 -6.457 1.00 0.00 H new ATOM 0 HA VAL B 12 0.559 8.345 -5.782 1.00 0.00 H new ATOM 0 HB VAL B 12 2.466 6.661 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.730 8.108 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.492 9.036 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.721 9.033 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.503 6.035 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.557 6.860 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.377 5.431 -4.447 1.00 0.00 H new ATOM 875 N LYS B 13 2.720 9.622 -6.204 1.00 0.00 N ATOM 876 CA LYS B 13 3.903 10.320 -6.684 1.00 0.00 C ATOM 877 C LYS B 13 4.574 11.148 -5.598 1.00 0.00 C ATOM 878 O LYS B 13 3.989 11.420 -4.552 1.00 0.00 O ATOM 879 CB LYS B 13 3.548 11.207 -7.878 1.00 0.00 C ATOM 880 CG LYS B 13 3.602 10.474 -9.210 1.00 0.00 C ATOM 881 CD LYS B 13 4.927 9.749 -9.377 1.00 0.00 C ATOM 882 CE LYS B 13 5.060 9.103 -10.745 1.00 0.00 C ATOM 883 NZ LYS B 13 6.374 8.422 -10.903 1.00 0.00 N ATOM 0 H LYS B 13 1.960 10.228 -5.895 1.00 0.00 H new ATOM 0 HA LYS B 13 4.618 9.558 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.547 11.613 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.234 12.054 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.782 9.759 -9.270 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.466 11.184 -10.026 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.746 10.453 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.021 8.985 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.256 8.381 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.947 9.862 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.666 8.458 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.086 8.902 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.289 7.430 -10.602 1.00 0.00 H new ATOM 897 N LYS B 14 5.817 11.546 -5.885 1.00 0.00 N ATOM 898 CA LYS B 14 6.636 12.345 -4.984 1.00 0.00 C ATOM 899 C LYS B 14 6.624 11.795 -3.558 1.00 0.00 C ATOM 900 O LYS B 14 6.184 12.457 -2.620 1.00 0.00 O ATOM 901 CB LYS B 14 6.158 13.793 -5.024 1.00 0.00 C ATOM 902 CG LYS B 14 6.857 14.635 -6.080 1.00 0.00 C ATOM 903 CD LYS B 14 6.005 15.819 -6.516 1.00 0.00 C ATOM 904 CE LYS B 14 6.000 16.930 -5.476 1.00 0.00 C ATOM 905 NZ LYS B 14 4.999 17.983 -5.797 1.00 0.00 N ATOM 0 H LYS B 14 6.284 11.317 -6.762 1.00 0.00 H new ATOM 0 HA LYS B 14 7.671 12.297 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.084 13.808 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.317 14.247 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS B 14 7.807 14.997 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.087 14.014 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.382 16.209 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.983 15.484 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.782 16.508 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.992 17.377 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.313 18.893 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.903 18.068 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.080 17.726 -5.384 1.00 0.00 H new ATOM 919 N VAL B 15 7.140 10.586 -3.407 1.00 0.00 N ATOM 920 CA VAL B 15 7.211 9.930 -2.111 1.00 0.00 C ATOM 921 C VAL B 15 8.669 9.706 -1.743 1.00 0.00 C ATOM 922 O VAL B 15 9.456 9.241 -2.563 1.00 0.00 O ATOM 923 CB VAL B 15 6.461 8.580 -2.118 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.593 7.872 -0.776 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.999 8.795 -2.462 1.00 0.00 C ATOM 0 H VAL B 15 7.520 10.033 -4.176 1.00 0.00 H new ATOM 0 HA VAL B 15 6.732 10.574 -1.373 1.00 0.00 H new ATOM 0 HB VAL B 15 6.913 7.944 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL B 15 6.055 6.925 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.646 7.684 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.172 8.500 0.010 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.481 7.836 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.544 9.452 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.921 9.252 -3.449 1.00 0.00 H new ATOM 935 N ARG B 16 9.031 10.042 -0.522 1.00 0.00 N ATOM 936 CA ARG B 16 10.405 9.889 -0.087 1.00 0.00 C ATOM 937 C ARG B 16 10.543 8.862 1.023 1.00 0.00 C ATOM 938 O ARG B 16 9.772 8.848 1.982 1.00 0.00 O ATOM 939 CB ARG B 16 10.972 11.231 0.374 1.00 0.00 C ATOM 940 CG ARG B 16 11.415 12.122 -0.773 1.00 0.00 C ATOM 941 CD ARG B 16 12.288 13.264 -0.284 1.00 0.00 C ATOM 942 NE ARG B 16 11.534 14.236 0.504 1.00 0.00 N ATOM 943 CZ ARG B 16 12.072 15.001 1.455 1.00 0.00 C ATOM 944 NH1 ARG B 16 13.355 14.871 1.770 1.00 0.00 N ATOM 945 NH2 ARG B 16 11.328 15.888 2.097 1.00 0.00 N ATOM 0 H ARG B 16 8.398 10.420 0.183 1.00 0.00 H new ATOM 0 HA ARG B 16 10.974 9.529 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.217 11.754 0.961 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.821 11.051 1.034 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.965 11.529 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.539 12.524 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG B 16 13.103 12.864 0.319 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.741 13.765 -1.140 1.00 0.00 H new ATOM 0 HE ARG B 16 10.536 14.336 0.316 1.00 0.00 H new ATOM 0 HH11 ARG B 16 13.932 14.185 1.284 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.763 15.458 2.498 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.340 15.988 1.865 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.743 16.471 2.824 1.00 0.00 H new ATOM 959 N GLN B 17 11.514 7.983 0.859 1.00 0.00 N ATOM 960 CA GLN B 17 11.813 6.973 1.852 1.00 0.00 C ATOM 961 C GLN B 17 13.163 7.319 2.459 1.00 0.00 C ATOM 962 O GLN B 17 14.196 7.084 1.840 1.00 0.00 O ATOM 963 CB GLN B 17 11.852 5.582 1.205 1.00 0.00 C ATOM 964 CG GLN B 17 11.481 4.440 2.143 1.00 0.00 C ATOM 965 CD GLN B 17 12.497 4.222 3.250 1.00 0.00 C ATOM 966 OE1 GLN B 17 12.363 4.754 4.349 1.00 0.00 O ATOM 967 NE2 GLN B 17 13.526 3.442 2.962 1.00 0.00 N ATOM 0 H GLN B 17 12.115 7.950 0.036 1.00 0.00 H new ATOM 0 HA GLN B 17 11.043 6.952 2.623 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.172 5.572 0.353 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.854 5.404 0.815 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.507 4.645 2.588 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.380 3.521 1.565 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.602 3.018 2.037 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.244 3.264 3.665 1.00 0.00 H new ATOM 976 N LYS B 18 13.139 7.879 3.662 1.00 0.00 N ATOM 977 CA LYS B 18 14.348 8.300 4.356 1.00 0.00 C ATOM 978 C LYS B 18 15.231 9.176 3.461 1.00 0.00 C ATOM 979 O LYS B 18 16.341 8.789 3.086 1.00 0.00 O ATOM 980 CB LYS B 18 15.108 7.082 4.861 1.00 0.00 C ATOM 981 CG LYS B 18 14.714 6.651 6.267 1.00 0.00 C ATOM 982 CD LYS B 18 14.543 7.844 7.196 1.00 0.00 C ATOM 983 CE LYS B 18 14.821 7.467 8.641 1.00 0.00 C ATOM 984 NZ LYS B 18 14.262 8.452 9.602 1.00 0.00 N ATOM 0 H LYS B 18 12.280 8.054 4.184 1.00 0.00 H new ATOM 0 HA LYS B 18 14.059 8.909 5.213 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.940 6.251 4.176 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.176 7.299 4.843 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.783 6.085 6.226 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.476 5.983 6.669 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.218 8.644 6.891 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.528 8.232 7.109 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.397 6.484 8.845 1.00 0.00 H new ATOM 0 HE3 LYS B 18 15.898 7.387 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.217 8.026 10.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.871 9.294 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.305 8.727 9.301 1.00 0.00 H new ATOM 998 N LYS B 19 14.693 10.346 3.110 1.00 0.00 N ATOM 999 CA LYS B 19 15.364 11.338 2.277 1.00 0.00 C ATOM 1000 C LYS B 19 15.674 10.849 0.860 1.00 0.00 C ATOM 1001 O LYS B 19 16.414 11.505 0.126 1.00 0.00 O ATOM 1002 CB LYS B 19 16.620 11.819 2.979 1.00 0.00 C ATOM 1003 CG LYS B 19 16.395 13.036 3.859 1.00 0.00 C ATOM 1004 CD LYS B 19 17.710 13.619 4.346 1.00 0.00 C ATOM 1005 CE LYS B 19 17.596 15.107 4.622 1.00 0.00 C ATOM 1006 NZ LYS B 19 17.250 15.876 3.396 1.00 0.00 N ATOM 0 H LYS B 19 13.760 10.633 3.404 1.00 0.00 H new ATOM 0 HA LYS B 19 14.670 12.168 2.146 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.019 11.008 3.589 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.376 12.057 2.231 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.844 13.793 3.301 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.779 12.759 4.715 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.023 13.103 5.254 1.00 0.00 H new ATOM 0 HD3 LYS B 19 18.484 13.446 3.598 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.835 15.277 5.384 1.00 0.00 H new ATOM 0 HE3 LYS B 19 18.539 15.474 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 17.628 16.842 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 17.664 15.408 2.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 16.216 15.916 3.292 1.00 0.00 H new ATOM 1020 N GLN B 20 15.098 9.725 0.467 1.00 0.00 N ATOM 1021 CA GLN B 20 15.310 9.191 -0.874 1.00 0.00 C ATOM 1022 C GLN B 20 14.090 9.468 -1.742 1.00 0.00 C ATOM 1023 O GLN B 20 12.966 9.155 -1.357 1.00 0.00 O ATOM 1024 CB GLN B 20 15.601 7.691 -0.820 1.00 0.00 C ATOM 1025 CG GLN B 20 17.015 7.367 -0.365 1.00 0.00 C ATOM 1026 CD GLN B 20 17.091 6.094 0.452 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.244 5.000 -0.090 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.987 6.227 1.764 1.00 0.00 N ATOM 0 H GLN B 20 14.481 9.164 1.054 1.00 0.00 H new ATOM 0 HA GLN B 20 16.175 9.687 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.891 7.215 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.437 7.261 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.660 7.272 -1.238 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.401 8.197 0.227 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.861 7.152 2.174 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.033 5.404 2.365 1.00 0.00 H new ATOM 1037 N ASP B 21 14.318 10.068 -2.903 1.00 0.00 N ATOM 1038 CA ASP B 21 13.239 10.409 -3.830 1.00 0.00 C ATOM 1039 C ASP B 21 12.639 9.159 -4.462 1.00 0.00 C ATOM 1040 O ASP B 21 13.349 8.185 -4.711 1.00 0.00 O ATOM 1041 CB ASP B 21 13.766 11.338 -4.934 1.00 0.00 C ATOM 1042 CG ASP B 21 14.460 10.583 -6.060 1.00 0.00 C ATOM 1043 OD1 ASP B 21 13.803 10.284 -7.076 1.00 0.00 O ATOM 1044 OD2 ASP B 21 15.666 10.281 -5.935 1.00 0.00 O ATOM 0 H ASP B 21 15.248 10.332 -3.230 1.00 0.00 H new ATOM 0 HA ASP B 21 12.460 10.918 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP B 21 12.936 11.913 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP B 21 14.464 12.053 -4.498 1.00 0.00 H new ATOM 1049 N GLY B 22 11.331 9.169 -4.694 1.00 0.00 N ATOM 1050 CA GLY B 22 10.694 8.033 -5.316 1.00 0.00 C ATOM 1051 C GLY B 22 9.196 8.185 -5.459 1.00 0.00 C ATOM 1052 O GLY B 22 8.641 9.267 -5.261 1.00 0.00 O ATOM 0 H GLY B 22 10.707 9.941 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.131 7.876 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.906 7.140 -4.728 1.00 0.00 H new ATOM 1056 N ALA B 23 8.555 7.091 -5.821 1.00 0.00 N ATOM 1057 CA ALA B 23 7.116 7.043 -5.990 1.00 0.00 C ATOM 1058 C ALA B 23 6.597 5.721 -5.452 1.00 0.00 C ATOM 1059 O ALA B 23 7.272 4.695 -5.553 1.00 0.00 O ATOM 1060 CB ALA B 23 6.746 7.217 -7.453 1.00 0.00 C ATOM 0 H ALA B 23 9.022 6.204 -6.008 1.00 0.00 H new ATOM 0 HA ALA B 23 6.656 7.860 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.662 7.178 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.112 8.180 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.198 6.418 -8.040 1.00 0.00 H new ATOM 1066 N LEU B 24 5.406 5.742 -4.884 1.00 0.00 N ATOM 1067 CA LEU B 24 4.826 4.543 -4.308 1.00 0.00 C ATOM 1068 C LEU B 24 3.774 3.959 -5.234 1.00 0.00 C ATOM 1069 O LEU B 24 2.894 4.664 -5.716 1.00 0.00 O ATOM 1070 CB LEU B 24 4.214 4.856 -2.944 1.00 0.00 C ATOM 1071 CG LEU B 24 3.846 3.630 -2.117 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.086 3.005 -1.502 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.838 3.997 -1.041 1.00 0.00 C ATOM 0 H LEU B 24 4.822 6.575 -4.809 1.00 0.00 H new ATOM 0 HA LEU B 24 5.618 3.805 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.918 5.464 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.319 5.460 -3.092 1.00 0.00 H new ATOM 0 HG LEU B 24 3.389 2.894 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.801 2.131 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.772 2.703 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.577 3.732 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.587 3.110 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.267 4.752 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.936 4.393 -1.507 1.00 0.00 H new ATOM 1085 N TYR B 25 3.880 2.672 -5.495 1.00 0.00 N ATOM 1086 CA TYR B 25 2.940 1.996 -6.368 1.00 0.00 C ATOM 1087 C TYR B 25 2.338 0.779 -5.677 1.00 0.00 C ATOM 1088 O TYR B 25 3.044 -0.184 -5.369 1.00 0.00 O ATOM 1089 CB TYR B 25 3.628 1.557 -7.667 1.00 0.00 C ATOM 1090 CG TYR B 25 4.360 2.667 -8.392 1.00 0.00 C ATOM 1091 CD1 TYR B 25 3.690 3.511 -9.269 1.00 0.00 C ATOM 1092 CD2 TYR B 25 5.723 2.863 -8.206 1.00 0.00 C ATOM 1093 CE1 TYR B 25 4.358 4.519 -9.940 1.00 0.00 C ATOM 1094 CE2 TYR B 25 6.396 3.869 -8.871 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.710 4.694 -9.736 1.00 0.00 C ATOM 1096 OH TYR B 25 6.381 5.698 -10.401 1.00 0.00 O ATOM 0 H TYR B 25 4.610 2.071 -5.114 1.00 0.00 H new ATOM 0 HA TYR B 25 2.142 2.700 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.336 0.760 -7.438 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.878 1.135 -8.336 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.630 3.378 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.265 2.218 -7.530 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.823 5.166 -10.620 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.455 4.009 -8.714 1.00 0.00 H new ATOM 0 HH TYR B 25 7.327 5.685 -10.144 1.00 0.00 H new ATOM 1106 N LEU B 26 1.040 0.833 -5.411 1.00 0.00 N ATOM 1107 CA LEU B 26 0.354 -0.289 -4.791 1.00 0.00 C ATOM 1108 C LEU B 26 0.080 -1.318 -5.866 1.00 0.00 C ATOM 1109 O LEU B 26 -0.504 -0.999 -6.897 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.958 0.134 -4.128 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.817 1.056 -2.918 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.020 0.917 -2.000 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.461 0.762 -2.158 1.00 0.00 C ATOM 0 H LEU B 26 0.445 1.637 -5.614 1.00 0.00 H new ATOM 0 HA LEU B 26 0.987 -0.700 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.577 0.634 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.494 -0.763 -3.819 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.770 2.083 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.903 1.581 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.926 1.184 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.096 -0.113 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.537 1.432 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.448 -0.271 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.318 0.913 -2.815 1.00 0.00 H new ATOM 1125 N MET B 27 0.501 -2.541 -5.637 1.00 0.00 N ATOM 1126 CA MET B 27 0.330 -3.587 -6.623 1.00 0.00 C ATOM 1127 C MET B 27 -0.710 -4.595 -6.153 1.00 0.00 C ATOM 1128 O MET B 27 -1.119 -4.564 -4.993 1.00 0.00 O ATOM 1129 CB MET B 27 1.656 -4.272 -6.879 1.00 0.00 C ATOM 1130 CG MET B 27 2.854 -3.365 -6.651 1.00 0.00 C ATOM 1131 SD MET B 27 4.327 -3.927 -7.507 1.00 0.00 S ATOM 1132 CE MET B 27 4.185 -2.955 -8.996 1.00 0.00 C ATOM 0 H MET B 27 0.964 -2.837 -4.778 1.00 0.00 H new ATOM 0 HA MET B 27 -0.022 -3.143 -7.554 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.739 -5.143 -6.229 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.676 -4.638 -7.906 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.609 -2.357 -6.984 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.061 -3.306 -5.582 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.052 -3.135 -9.632 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.278 -3.238 -9.530 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.139 -1.897 -8.737 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.065 -5.524 -7.040 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.097 -6.533 -6.777 1.00 0.00 C ATOM 1144 C ALA B 28 -2.003 -7.163 -5.386 1.00 0.00 C ATOM 1145 O ALA B 28 -2.976 -7.140 -4.637 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.030 -7.611 -7.847 1.00 0.00 C ATOM 0 H ALA B 28 -0.644 -5.600 -7.966 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.058 -6.019 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.796 -8.363 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.199 -7.163 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.047 -8.081 -7.828 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.846 -7.700 -5.023 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.695 -8.311 -3.707 1.00 0.00 C ATOM 1154 C GLU B 29 0.543 -7.784 -2.992 1.00 0.00 C ATOM 1155 O GLU B 29 1.047 -8.419 -2.064 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.598 -9.839 -3.809 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.473 -10.465 -4.884 1.00 0.00 C ATOM 1158 CD GLU B 29 -0.646 -11.084 -5.988 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -0.637 -10.533 -7.105 1.00 0.00 O ATOM 1160 OE2 GLU B 29 0.050 -12.086 -5.723 1.00 0.00 O ATOM 0 H GLU B 29 -0.011 -7.726 -5.608 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.583 -8.045 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.440 -10.111 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.867 -10.271 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -2.111 -11.227 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -2.132 -9.705 -5.305 1.00 0.00 H new ATOM 1167 N ARG B 30 1.024 -6.609 -3.386 1.00 0.00 N ATOM 1168 CA ARG B 30 2.223 -6.061 -2.755 1.00 0.00 C ATOM 1169 C ARG B 30 2.308 -4.556 -2.915 1.00 0.00 C ATOM 1170 O ARG B 30 1.667 -3.980 -3.779 1.00 0.00 O ATOM 1171 CB ARG B 30 3.496 -6.710 -3.327 1.00 0.00 C ATOM 1172 CG ARG B 30 3.870 -6.253 -4.736 1.00 0.00 C ATOM 1173 CD ARG B 30 3.229 -7.126 -5.800 1.00 0.00 C ATOM 1174 NE ARG B 30 3.193 -8.535 -5.415 1.00 0.00 N ATOM 1175 CZ ARG B 30 2.338 -9.419 -5.925 1.00 0.00 C ATOM 1176 NH1 ARG B 30 1.530 -9.071 -6.921 1.00 0.00 N ATOM 1177 NH2 ARG B 30 2.316 -10.660 -5.461 1.00 0.00 N ATOM 0 H ARG B 30 0.616 -6.030 -4.120 1.00 0.00 H new ATOM 0 HA ARG B 30 2.150 -6.290 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.329 -6.495 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.364 -7.792 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.557 -5.218 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.954 -6.277 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG B 30 2.214 -6.778 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG B 30 3.781 -7.021 -6.734 1.00 0.00 H new ATOM 0 HE ARG B 30 3.861 -8.860 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG B 30 1.563 -8.124 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG B 30 0.876 -9.751 -7.309 1.00 0.00 H new ATOM 0 HH21 ARG B 30 2.953 -10.937 -4.714 1.00 0.00 H new ATOM 0 HH22 ARG B 30 1.662 -11.339 -5.851 1.00 0.00 H new ATOM 1191 N ILE B 31 3.096 -3.935 -2.063 1.00 0.00 N ATOM 1192 CA ILE B 31 3.313 -2.505 -2.109 1.00 0.00 C ATOM 1193 C ILE B 31 4.784 -2.251 -2.393 1.00 0.00 C ATOM 1194 O ILE B 31 5.659 -2.755 -1.683 1.00 0.00 O ATOM 1195 CB ILE B 31 2.890 -1.807 -0.791 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.445 -0.379 -0.727 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.347 -2.612 0.418 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.947 0.417 0.461 1.00 0.00 C ATOM 0 H ILE B 31 3.605 -4.409 -1.317 1.00 0.00 H new ATOM 0 HA ILE B 31 2.693 -2.083 -2.900 1.00 0.00 H new ATOM 0 HB ILE B 31 1.802 -1.752 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.534 -0.423 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.176 0.147 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.039 -2.103 1.331 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.897 -3.604 0.386 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.433 -2.706 0.403 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.383 1.416 0.438 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.861 0.494 0.418 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.239 -0.085 1.383 1.00 0.00 H new ATOM 1210 N ALA B 32 5.065 -1.502 -3.440 1.00 0.00 N ATOM 1211 CA ALA B 32 6.436 -1.234 -3.807 1.00 0.00 C ATOM 1212 C ALA B 32 6.697 0.252 -3.993 1.00 0.00 C ATOM 1213 O ALA B 32 5.795 1.023 -4.322 1.00 0.00 O ATOM 1214 CB ALA B 32 6.791 -2.009 -5.062 1.00 0.00 C ATOM 0 H ALA B 32 4.366 -1.072 -4.046 1.00 0.00 H new ATOM 0 HA ALA B 32 7.076 -1.565 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.826 -1.804 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.669 -3.076 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.133 -1.704 -5.876 1.00 0.00 H new ATOM 1220 N TRP B 33 7.941 0.635 -3.777 1.00 0.00 N ATOM 1221 CA TRP B 33 8.365 2.016 -3.911 1.00 0.00 C ATOM 1222 C TRP B 33 9.614 2.070 -4.778 1.00 0.00 C ATOM 1223 O TRP B 33 10.589 1.351 -4.528 1.00 0.00 O ATOM 1224 CB TRP B 33 8.625 2.621 -2.524 1.00 0.00 C ATOM 1225 CG TRP B 33 9.179 4.017 -2.547 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.472 5.185 -2.606 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.561 4.389 -2.496 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.330 6.256 -2.603 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.615 5.793 -2.535 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.757 3.672 -2.424 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.817 6.490 -2.505 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.949 4.367 -2.394 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.971 5.764 -2.433 1.00 0.00 C ATOM 0 H TRP B 33 8.688 -0.004 -3.503 1.00 0.00 H new ATOM 0 HA TRP B 33 7.581 2.603 -4.389 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.691 2.624 -1.962 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.320 1.977 -1.985 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.395 5.255 -2.649 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.054 7.237 -2.645 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.749 2.592 -2.392 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.838 7.569 -2.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.880 3.822 -2.339 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.920 6.279 -2.406 1.00 0.00 H new ATOM 1244 N ALA B 34 9.570 2.899 -5.806 1.00 0.00 N ATOM 1245 CA ALA B 34 10.688 3.044 -6.721 1.00 0.00 C ATOM 1246 C ALA B 34 11.085 4.500 -6.844 1.00 0.00 C ATOM 1247 O ALA B 34 10.228 5.359 -7.034 1.00 0.00 O ATOM 1248 CB ALA B 34 10.328 2.492 -8.091 1.00 0.00 C ATOM 0 H ALA B 34 8.766 3.486 -6.029 1.00 0.00 H new ATOM 0 HA ALA B 34 11.531 2.480 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.177 2.608 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.077 1.435 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.472 3.036 -8.489 1.00 0.00 H new ATOM 1254 N PRO B 35 12.384 4.797 -6.708 1.00 0.00 N ATOM 1255 CA PRO B 35 12.895 6.161 -6.830 1.00 0.00 C ATOM 1256 C PRO B 35 12.481 6.797 -8.160 1.00 0.00 C ATOM 1257 O PRO B 35 12.516 6.145 -9.206 1.00 0.00 O ATOM 1258 CB PRO B 35 14.419 5.998 -6.732 1.00 0.00 C ATOM 1259 CG PRO B 35 14.684 4.536 -6.879 1.00 0.00 C ATOM 1260 CD PRO B 35 13.447 3.833 -6.408 1.00 0.00 C ATOM 0 HA PRO B 35 12.499 6.825 -6.062 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.924 6.567 -7.513 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.791 6.368 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.903 4.283 -7.916 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.550 4.237 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.295 2.889 -6.932 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.494 3.603 -5.344 1.00 0.00 H new ATOM 1368 N THR B 42 13.330 -0.238 -4.884 1.00 0.00 N ATOM 1369 CA THR B 42 14.175 -0.577 -3.753 1.00 0.00 C ATOM 1370 C THR B 42 13.350 -1.128 -2.594 1.00 0.00 C ATOM 1371 O THR B 42 13.881 -1.765 -1.684 1.00 0.00 O ATOM 1372 CB THR B 42 14.981 0.647 -3.291 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.241 1.842 -3.573 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.331 0.701 -3.987 1.00 0.00 C ATOM 0 HA THR B 42 14.868 -1.352 -4.079 1.00 0.00 H new ATOM 0 HB THR B 42 15.152 0.565 -2.218 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.489 1.629 -4.164 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.883 1.576 -3.643 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.897 -0.200 -3.753 1.00 0.00 H new ATOM 0 HG23 THR B 42 16.182 0.766 -5.065 1.00 0.00 H new ATOM 1382 N ILE B 43 12.048 -0.880 -2.635 1.00 0.00 N ATOM 1383 CA ILE B 43 11.146 -1.354 -1.595 1.00 0.00 C ATOM 1384 C ILE B 43 10.018 -2.176 -2.210 1.00 0.00 C ATOM 1385 O ILE B 43 9.327 -1.706 -3.109 1.00 0.00 O ATOM 1386 CB ILE B 43 10.534 -0.181 -0.794 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.632 0.671 -0.147 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.569 -0.701 0.265 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.433 -0.061 0.911 1.00 0.00 C ATOM 0 H ILE B 43 11.592 -0.352 -3.379 1.00 0.00 H new ATOM 0 HA ILE B 43 11.731 -1.973 -0.915 1.00 0.00 H new ATOM 0 HB ILE B 43 9.979 0.450 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.311 1.023 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.176 1.554 0.302 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.149 0.139 0.818 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.765 -1.257 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.102 -1.358 0.952 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.190 0.607 1.322 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.767 -0.389 1.709 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.919 -0.928 0.464 1.00 0.00 H new ATOM 1401 N SER B 44 9.851 -3.403 -1.735 1.00 0.00 N ATOM 1402 CA SER B 44 8.799 -4.282 -2.227 1.00 0.00 C ATOM 1403 C SER B 44 8.312 -5.188 -1.101 1.00 0.00 C ATOM 1404 O SER B 44 8.968 -6.169 -0.758 1.00 0.00 O ATOM 1405 CB SER B 44 9.313 -5.121 -3.406 1.00 0.00 C ATOM 1406 OG SER B 44 8.280 -5.924 -3.962 1.00 0.00 O ATOM 0 H SER B 44 10.434 -3.814 -1.006 1.00 0.00 H new ATOM 0 HA SER B 44 7.964 -3.674 -2.576 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.717 -4.462 -4.175 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.131 -5.759 -3.071 1.00 0.00 H new ATOM 0 HG SER B 44 8.638 -6.445 -4.711 1.00 0.00 H new ATOM 1412 N HIS B 45 7.168 -4.853 -0.525 1.00 0.00 N ATOM 1413 CA HIS B 45 6.598 -5.639 0.564 1.00 0.00 C ATOM 1414 C HIS B 45 5.272 -6.233 0.151 1.00 0.00 C ATOM 1415 O HIS B 45 4.449 -5.556 -0.460 1.00 0.00 O ATOM 1416 CB HIS B 45 6.381 -4.776 1.809 1.00 0.00 C ATOM 1417 CG HIS B 45 7.632 -4.423 2.548 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.332 -5.304 3.339 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.294 -3.244 2.624 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.372 -4.647 3.865 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.397 -3.391 3.460 1.00 0.00 N ATOM 0 H HIS B 45 6.613 -4.040 -0.793 1.00 0.00 H new ATOM 0 HA HIS B 45 7.305 -6.436 0.796 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.877 -3.856 1.514 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.710 -5.303 2.488 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.099 -6.285 3.497 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.011 -2.334 2.116 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.097 -5.087 4.534 1.00 0.00 H new ATOM 1429 N MET B 46 5.063 -7.494 0.467 1.00 0.00 N ATOM 1430 CA MET B 46 3.811 -8.136 0.146 1.00 0.00 C ATOM 1431 C MET B 46 2.823 -7.819 1.250 1.00 0.00 C ATOM 1432 O MET B 46 3.199 -7.727 2.417 1.00 0.00 O ATOM 1433 CB MET B 46 3.981 -9.652 0.007 1.00 0.00 C ATOM 1434 CG MET B 46 4.858 -10.072 -1.160 1.00 0.00 C ATOM 1435 SD MET B 46 3.928 -10.280 -2.691 1.00 0.00 S ATOM 1436 CE MET B 46 2.830 -11.621 -2.228 1.00 0.00 C ATOM 0 H MET B 46 5.741 -8.089 0.943 1.00 0.00 H new ATOM 0 HA MET B 46 3.448 -7.763 -0.811 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.409 -10.045 0.929 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.998 -10.108 -0.108 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.636 -9.324 -1.311 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.359 -11.008 -0.914 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.744 -12.324 -3.057 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.232 -12.136 -1.356 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.845 -11.219 -1.990 1.00 0.00 H new ATOM 1446 N TYR B 47 1.571 -7.626 0.887 1.00 0.00 N ATOM 1447 CA TYR B 47 0.540 -7.313 1.871 1.00 0.00 C ATOM 1448 C TYR B 47 0.412 -8.438 2.894 1.00 0.00 C ATOM 1449 O TYR B 47 0.015 -8.214 4.036 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.808 -7.072 1.189 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.808 -5.901 0.231 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.162 -4.714 0.546 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.458 -5.988 -0.990 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.165 -3.648 -0.332 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.465 -4.927 -1.871 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.818 -3.760 -1.538 1.00 0.00 C ATOM 1457 OH TYR B 47 -0.821 -2.704 -2.418 1.00 0.00 O ATOM 0 H TYR B 47 1.238 -7.679 -0.076 1.00 0.00 H new ATOM 0 HA TYR B 47 0.837 -6.400 2.388 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.096 -7.973 0.647 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.566 -6.904 1.954 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.351 -4.622 1.492 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.968 -6.902 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.343 -2.731 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.976 -5.012 -2.818 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.082 -2.805 -3.053 1.00 0.00 H new ATOM 1467 N ALA B 48 0.791 -9.639 2.478 1.00 0.00 N ATOM 1468 CA ALA B 48 0.717 -10.812 3.334 1.00 0.00 C ATOM 1469 C ALA B 48 1.794 -10.799 4.418 1.00 0.00 C ATOM 1470 O ALA B 48 1.683 -11.522 5.401 1.00 0.00 O ATOM 1471 CB ALA B 48 0.829 -12.077 2.497 1.00 0.00 C ATOM 0 H ALA B 48 1.156 -9.826 1.544 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.251 -10.793 3.835 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.772 -12.950 3.147 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.013 -12.109 1.775 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.782 -12.080 1.968 1.00 0.00 H new ATOM 1477 N ASP B 49 2.827 -9.977 4.242 1.00 0.00 N ATOM 1478 CA ASP B 49 3.910 -9.898 5.223 1.00 0.00 C ATOM 1479 C ASP B 49 3.659 -8.754 6.196 1.00 0.00 C ATOM 1480 O ASP B 49 4.324 -8.637 7.231 1.00 0.00 O ATOM 1481 CB ASP B 49 5.280 -9.657 4.560 1.00 0.00 C ATOM 1482 CG ASP B 49 5.418 -10.219 3.156 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.960 -9.494 2.287 1.00 0.00 O ATOM 1484 OD2 ASP B 49 4.997 -11.367 2.913 1.00 0.00 O ATOM 0 H ASP B 49 2.938 -9.361 3.437 1.00 0.00 H new ATOM 0 HA ASP B 49 3.928 -10.857 5.741 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.467 -8.584 4.526 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.054 -10.096 5.189 1.00 0.00 H new ATOM 1489 N ILE B 50 2.694 -7.909 5.865 1.00 0.00 N ATOM 1490 CA ILE B 50 2.388 -6.754 6.689 1.00 0.00 C ATOM 1491 C ILE B 50 1.327 -7.083 7.740 1.00 0.00 C ATOM 1492 O ILE B 50 0.257 -7.604 7.422 1.00 0.00 O ATOM 1493 CB ILE B 50 1.910 -5.571 5.825 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.905 -5.315 4.688 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.742 -4.326 6.683 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.400 -4.350 3.637 1.00 0.00 C ATOM 0 H ILE B 50 2.112 -8.003 5.033 1.00 0.00 H new ATOM 0 HA ILE B 50 3.308 -6.472 7.201 1.00 0.00 H new ATOM 0 HB ILE B 50 0.942 -5.819 5.389 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.831 -4.925 5.110 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.147 -6.264 4.210 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.404 -3.498 6.060 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.005 -4.518 7.463 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.697 -4.069 7.142 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.160 -4.221 2.867 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.490 -4.746 3.186 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.185 -3.387 4.100 1.00 0.00 H new ATOM 1508 N LYS B 51 1.634 -6.767 8.992 1.00 0.00 N ATOM 1509 CA LYS B 51 0.723 -7.016 10.103 1.00 0.00 C ATOM 1510 C LYS B 51 -0.361 -5.945 10.144 1.00 0.00 C ATOM 1511 O LYS B 51 -1.551 -6.246 10.137 1.00 0.00 O ATOM 1512 CB LYS B 51 1.502 -7.025 11.423 1.00 0.00 C ATOM 1513 CG LYS B 51 0.637 -7.255 12.652 1.00 0.00 C ATOM 1514 CD LYS B 51 1.346 -6.818 13.928 1.00 0.00 C ATOM 1515 CE LYS B 51 2.532 -7.713 14.254 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.834 -7.007 14.088 1.00 0.00 N ATOM 0 H LYS B 51 2.516 -6.333 9.265 1.00 0.00 H new ATOM 0 HA LYS B 51 0.250 -7.988 9.962 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.264 -7.803 11.377 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.023 -6.074 11.531 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.298 -6.704 12.548 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.378 -8.311 12.723 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.687 -5.789 13.819 1.00 0.00 H new ATOM 0 HD3 LYS B 51 0.640 -6.834 14.759 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.443 -8.071 15.280 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.511 -8.590 13.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.614 -7.682 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 3.889 -6.599 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 3.909 -6.247 14.794 1.00 0.00 H new ATOM 1530 N CYS B 52 0.073 -4.698 10.181 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.823 -3.554 10.214 1.00 0.00 C ATOM 1532 C CYS B 52 -0.088 -2.356 9.646 1.00 0.00 C ATOM 1533 O CYS B 52 1.090 -2.468 9.300 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.288 -3.272 11.644 1.00 0.00 C ATOM 1535 SG CYS B 52 0.008 -3.469 12.891 1.00 0.00 S ATOM 0 H CYS B 52 1.062 -4.448 10.189 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.710 -3.763 9.616 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.676 -2.255 11.695 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.115 -3.940 11.885 1.00 0.00 H new ATOM 0 HG CYS B 52 0.147 -2.358 13.552 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.743 -1.213 9.545 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.095 -0.058 9.001 1.00 0.00 C ATOM 1543 C GLN B 53 -0.365 1.109 9.927 1.00 0.00 C ATOM 1544 O GLN B 53 -1.158 0.979 10.841 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.644 0.177 7.591 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.150 0.029 7.521 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.784 0.848 6.425 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.220 1.832 5.954 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -3.989 0.469 6.039 1.00 0.00 N ATOM 0 H GLN B 53 -1.712 -1.071 9.832 1.00 0.00 H new ATOM 0 HA GLN B 53 0.985 -0.186 8.924 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.365 1.177 7.258 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.181 -0.529 6.902 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.397 -1.022 7.368 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.581 0.322 8.478 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.422 -0.355 6.456 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.486 1.000 5.324 1.00 0.00 H new ATOM 1558 N LYS B 54 0.351 2.196 9.756 1.00 0.00 N ATOM 1559 CA LYS B 54 0.147 3.399 10.550 1.00 0.00 C ATOM 1560 C LYS B 54 0.386 4.579 9.644 1.00 0.00 C ATOM 1561 O LYS B 54 0.926 4.422 8.554 1.00 0.00 O ATOM 1562 CB LYS B 54 1.104 3.499 11.744 1.00 0.00 C ATOM 1563 CG LYS B 54 1.191 2.259 12.602 1.00 0.00 C ATOM 1564 CD LYS B 54 1.113 2.629 14.068 1.00 0.00 C ATOM 1565 CE LYS B 54 2.248 2.028 14.858 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.077 0.568 15.067 1.00 0.00 N ATOM 0 H LYS B 54 1.094 2.277 9.062 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.865 3.375 10.954 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.101 3.735 11.372 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.792 4.334 12.371 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.381 1.575 12.349 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.125 1.734 12.401 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.133 3.714 14.171 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.163 2.287 14.479 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.188 2.211 14.337 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.318 2.526 15.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.982 0.152 15.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.361 0.404 15.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.768 0.124 14.179 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.025 5.743 10.071 1.00 0.00 N ATOM 1581 CA ILE B 55 0.165 6.939 9.261 1.00 0.00 C ATOM 1582 C ILE B 55 0.576 8.108 10.119 1.00 0.00 C ATOM 1583 O ILE B 55 -0.043 8.327 11.127 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.162 7.322 8.570 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.284 7.167 9.586 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.415 6.470 7.341 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.687 7.358 9.079 1.00 0.00 C ATOM 0 H ILE B 55 -0.490 5.899 10.965 1.00 0.00 H new ATOM 0 HA ILE B 55 0.941 6.720 8.528 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.111 8.355 8.225 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.213 6.171 10.022 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.114 7.881 10.392 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.357 6.767 6.880 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.602 6.609 6.628 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.468 5.420 7.630 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.392 7.221 9.899 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.793 8.364 8.673 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.894 6.627 8.297 1.00 0.00 H new ATOM 1599 N SER B 56 1.619 8.849 9.768 1.00 0.00 N ATOM 1600 CA SER B 56 1.945 10.003 10.577 1.00 0.00 C ATOM 1601 C SER B 56 0.806 10.972 10.360 1.00 0.00 C ATOM 1602 O SER B 56 0.642 11.502 9.238 1.00 0.00 O ATOM 1603 CB SER B 56 3.315 10.611 10.259 1.00 0.00 C ATOM 1604 OG SER B 56 3.492 10.834 8.885 1.00 0.00 O ATOM 0 H SER B 56 2.226 8.680 8.966 1.00 0.00 H new ATOM 0 HA SER B 56 2.043 9.726 11.627 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.425 11.554 10.795 1.00 0.00 H new ATOM 0 HB3 SER B 56 4.099 9.945 10.621 1.00 0.00 H new ATOM 0 HG SER B 56 3.763 11.764 8.737 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.007 11.135 11.436 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.242 11.922 11.463 1.00 0.00 C ATOM 1612 C PRO B 57 -1.069 13.373 11.046 1.00 0.00 C ATOM 1613 O PRO B 57 0.052 13.880 10.918 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.676 11.884 12.935 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.456 11.501 13.684 1.00 0.00 C ATOM 1616 CD PRO B 57 0.283 10.588 12.772 1.00 0.00 C ATOM 0 HA PRO B 57 -1.958 11.505 10.755 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.051 12.854 13.261 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.478 11.163 13.092 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.143 12.376 13.937 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.707 11.005 14.621 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.352 10.588 12.983 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.061 9.558 12.868 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.195 14.031 10.832 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.206 15.432 10.481 1.00 0.00 C ATOM 1626 C GLU B 58 -1.572 16.215 11.628 1.00 0.00 C ATOM 1627 O GLU B 58 -1.756 15.874 12.797 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.638 15.931 10.216 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.703 14.836 10.191 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.510 13.832 9.067 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.843 14.151 7.910 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.019 12.715 9.345 1.00 0.00 O ATOM 0 H GLU B 58 -3.121 13.608 10.897 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.639 15.581 9.562 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -3.902 16.658 10.984 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.654 16.456 9.261 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.694 14.309 11.145 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.686 15.297 10.091 1.00 0.00 H new ATOM 1639 N GLY B 59 -0.848 17.262 11.299 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.169 18.040 12.315 1.00 0.00 C ATOM 1641 C GLY B 59 1.330 17.924 12.159 1.00 0.00 C ATOM 1642 O GLY B 59 2.066 18.867 12.448 1.00 0.00 O ATOM 0 H GLY B 59 -0.714 17.594 10.344 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.468 19.086 12.241 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.465 17.693 13.305 1.00 0.00 H new ATOM 1646 N LYS B 60 1.787 16.761 11.700 1.00 0.00 N ATOM 1647 CA LYS B 60 3.202 16.566 11.433 1.00 0.00 C ATOM 1648 C LYS B 60 3.553 17.363 10.185 1.00 0.00 C ATOM 1649 O LYS B 60 2.687 17.607 9.342 1.00 0.00 O ATOM 1650 CB LYS B 60 3.553 15.085 11.208 1.00 0.00 C ATOM 1651 CG LYS B 60 3.966 14.309 12.457 1.00 0.00 C ATOM 1652 CD LYS B 60 4.772 13.074 12.069 1.00 0.00 C ATOM 1653 CE LYS B 60 5.598 12.512 13.214 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.523 13.502 13.818 1.00 0.00 N ATOM 0 H LYS B 60 1.201 15.949 11.508 1.00 0.00 H new ATOM 0 HA LYS B 60 3.772 16.903 12.299 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.691 14.589 10.762 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.364 15.028 10.482 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.559 14.948 13.111 1.00 0.00 H new ATOM 0 HG3 LYS B 60 3.080 14.012 13.019 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.091 12.303 11.708 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.435 13.326 11.241 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.926 12.136 13.986 1.00 0.00 H new ATOM 0 HE3 LYS B 60 6.175 11.661 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.182 13.015 14.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 7.060 13.979 13.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.976 14.206 14.354 1.00 0.00 H new ATOM 1668 N ALA B 61 4.807 17.761 10.051 1.00 0.00 N ATOM 1669 CA ALA B 61 5.230 18.532 8.888 1.00 0.00 C ATOM 1670 C ALA B 61 5.340 17.641 7.658 1.00 0.00 C ATOM 1671 O ALA B 61 5.678 18.103 6.569 1.00 0.00 O ATOM 1672 CB ALA B 61 6.555 19.227 9.166 1.00 0.00 C ATOM 0 H ALA B 61 5.547 17.566 10.726 1.00 0.00 H new ATOM 0 HA ALA B 61 4.475 19.292 8.688 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.857 19.798 8.288 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.442 19.900 10.016 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.317 18.481 9.393 1.00 0.00 H new ATOM 1678 N LYS B 62 5.052 16.360 7.843 1.00 0.00 N ATOM 1679 CA LYS B 62 5.117 15.397 6.762 1.00 0.00 C ATOM 1680 C LYS B 62 4.129 14.256 6.988 1.00 0.00 C ATOM 1681 O LYS B 62 4.301 13.433 7.889 1.00 0.00 O ATOM 1682 CB LYS B 62 6.544 14.850 6.618 1.00 0.00 C ATOM 1683 CG LYS B 62 7.427 15.094 7.835 1.00 0.00 C ATOM 1684 CD LYS B 62 8.869 15.376 7.440 1.00 0.00 C ATOM 1685 CE LYS B 62 9.562 14.128 6.924 1.00 0.00 C ATOM 1686 NZ LYS B 62 11.004 14.359 6.653 1.00 0.00 N ATOM 0 H LYS B 62 4.769 15.965 8.740 1.00 0.00 H new ATOM 0 HA LYS B 62 4.843 15.905 5.837 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.494 13.778 6.428 1.00 0.00 H new ATOM 0 HB3 LYS B 62 7.011 15.307 5.746 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.035 15.936 8.405 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.393 14.223 8.489 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.892 16.149 6.672 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.413 15.765 8.301 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.455 13.327 7.655 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.071 13.793 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.436 13.480 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.107 15.106 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.479 14.653 7.530 1.00 0.00 H new ATOM 1700 N ILE B 63 3.073 14.242 6.182 1.00 0.00 N ATOM 1701 CA ILE B 63 2.058 13.199 6.249 1.00 0.00 C ATOM 1702 C ILE B 63 2.651 11.934 5.648 1.00 0.00 C ATOM 1703 O ILE B 63 3.012 11.919 4.469 1.00 0.00 O ATOM 1704 CB ILE B 63 0.785 13.622 5.483 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.309 14.990 5.977 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.320 12.592 5.644 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.273 16.046 4.895 1.00 0.00 C ATOM 0 H ILE B 63 2.898 14.949 5.468 1.00 0.00 H new ATOM 0 HA ILE B 63 1.768 13.024 7.285 1.00 0.00 H new ATOM 0 HB ILE B 63 1.031 13.688 4.423 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.688 14.886 6.404 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.966 15.326 6.779 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.203 12.917 5.094 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.018 11.632 5.254 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.569 12.487 6.700 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.074 16.989 5.318 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.273 16.179 4.483 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.407 15.732 4.103 1.00 0.00 H new ATOM 1719 N GLN B 64 2.774 10.875 6.439 1.00 0.00 N ATOM 1720 CA GLN B 64 3.427 9.660 5.941 1.00 0.00 C ATOM 1721 C GLN B 64 2.704 8.382 6.335 1.00 0.00 C ATOM 1722 O GLN B 64 1.774 8.397 7.132 1.00 0.00 O ATOM 1723 CB GLN B 64 4.863 9.589 6.477 1.00 0.00 C ATOM 1724 CG GLN B 64 5.682 10.851 6.254 1.00 0.00 C ATOM 1725 CD GLN B 64 6.883 10.941 7.177 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.934 11.450 6.802 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.726 10.460 8.397 1.00 0.00 N ATOM 0 H GLN B 64 2.442 10.826 7.402 1.00 0.00 H new ATOM 0 HA GLN B 64 3.410 9.727 4.853 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.828 9.377 7.546 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.374 8.751 6.002 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.022 10.880 5.219 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.046 11.723 6.406 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.836 10.044 8.671 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.495 10.504 9.066 1.00 0.00 H new ATOM 1736 N LEU B 65 3.134 7.279 5.733 1.00 0.00 N ATOM 1737 CA LEU B 65 2.584 5.964 6.028 1.00 0.00 C ATOM 1738 C LEU B 65 3.682 5.068 6.601 1.00 0.00 C ATOM 1739 O LEU B 65 4.849 5.198 6.229 1.00 0.00 O ATOM 1740 CB LEU B 65 2.012 5.305 4.773 1.00 0.00 C ATOM 1741 CG LEU B 65 1.215 4.023 5.036 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.254 4.326 5.246 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.391 3.030 3.910 1.00 0.00 C ATOM 0 H LEU B 65 3.872 7.272 5.029 1.00 0.00 H new ATOM 0 HA LEU B 65 1.779 6.091 6.752 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.367 6.021 4.264 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.832 5.075 4.093 1.00 0.00 H new ATOM 0 HG LEU B 65 1.607 3.577 5.950 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.794 3.397 5.430 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.370 4.990 6.103 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.657 4.809 4.356 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.814 2.131 4.125 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.041 3.472 2.977 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.445 2.771 3.815 1.00 0.00 H new ATOM 1755 N GLN B 66 3.307 4.183 7.508 1.00 0.00 N ATOM 1756 CA GLN B 66 4.244 3.261 8.129 1.00 0.00 C ATOM 1757 C GLN B 66 3.719 1.836 8.041 1.00 0.00 C ATOM 1758 O GLN B 66 2.630 1.539 8.522 1.00 0.00 O ATOM 1759 CB GLN B 66 4.447 3.639 9.591 1.00 0.00 C ATOM 1760 CG GLN B 66 5.584 2.895 10.269 1.00 0.00 C ATOM 1761 CD GLN B 66 5.942 3.490 11.615 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.390 3.104 12.646 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.864 4.438 11.609 1.00 0.00 N ATOM 0 H GLN B 66 2.346 4.083 7.835 1.00 0.00 H new ATOM 0 HA GLN B 66 5.196 3.322 7.602 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.638 4.710 9.656 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.524 3.446 10.137 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.304 1.850 10.400 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.462 2.911 9.623 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.294 4.725 10.730 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.145 4.882 12.483 1.00 0.00 H new ATOM 1772 N LEU B 67 4.487 0.963 7.419 1.00 0.00 N ATOM 1773 CA LEU B 67 4.092 -0.430 7.285 1.00 0.00 C ATOM 1774 C LEU B 67 4.707 -1.274 8.384 1.00 0.00 C ATOM 1775 O LEU B 67 5.918 -1.464 8.409 1.00 0.00 O ATOM 1776 CB LEU B 67 4.533 -0.986 5.935 1.00 0.00 C ATOM 1777 CG LEU B 67 3.742 -0.495 4.731 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.229 -1.194 3.477 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.254 -0.736 4.935 1.00 0.00 C ATOM 0 H LEU B 67 5.388 1.191 6.998 1.00 0.00 H new ATOM 0 HA LEU B 67 3.005 -0.471 7.362 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.583 -0.735 5.784 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.467 -2.073 5.971 1.00 0.00 H new ATOM 0 HG LEU B 67 3.898 0.578 4.619 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.660 -0.839 2.618 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.286 -0.976 3.326 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.092 -2.270 3.584 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.705 -0.379 4.064 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.073 -1.803 5.066 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.917 -0.200 5.822 1.00 0.00 H new ATOM 1791 N VAL B 68 3.885 -1.773 9.292 1.00 0.00 N ATOM 1792 CA VAL B 68 4.384 -2.615 10.363 1.00 0.00 C ATOM 1793 C VAL B 68 4.232 -4.070 9.969 1.00 0.00 C ATOM 1794 O VAL B 68 3.124 -4.608 9.927 1.00 0.00 O ATOM 1795 CB VAL B 68 3.669 -2.363 11.706 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.188 -3.312 12.775 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.869 -0.928 12.143 1.00 0.00 C ATOM 0 H VAL B 68 2.878 -1.611 9.309 1.00 0.00 H new ATOM 0 HA VAL B 68 5.434 -2.364 10.510 1.00 0.00 H new ATOM 0 HB VAL B 68 2.603 -2.546 11.569 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.671 -3.119 13.715 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.007 -4.342 12.467 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.258 -3.157 12.911 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.360 -0.762 13.092 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.934 -0.729 12.263 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.458 -0.257 11.389 1.00 0.00 H new ATOM 1807 N LEU B 69 5.351 -4.702 9.675 1.00 0.00 N ATOM 1808 CA LEU B 69 5.350 -6.087 9.256 1.00 0.00 C ATOM 1809 C LEU B 69 5.026 -7.015 10.430 1.00 0.00 C ATOM 1810 O LEU B 69 4.826 -6.562 11.564 1.00 0.00 O ATOM 1811 CB LEU B 69 6.679 -6.459 8.606 1.00 0.00 C ATOM 1812 CG LEU B 69 7.088 -5.619 7.389 1.00 0.00 C ATOM 1813 CD1 LEU B 69 7.914 -6.460 6.440 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.892 -5.021 6.668 1.00 0.00 C ATOM 0 H LEU B 69 6.276 -4.275 9.719 1.00 0.00 H new ATOM 0 HA LEU B 69 4.567 -6.214 8.509 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.464 -6.380 9.358 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.633 -7.505 8.302 1.00 0.00 H new ATOM 0 HG LEU B 69 7.686 -4.783 7.752 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.202 -5.859 5.578 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.810 -6.813 6.952 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.326 -7.315 6.106 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.236 -4.436 5.815 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.240 -5.822 6.319 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.341 -4.375 7.352 1.00 0.00 H new ATOM 1826 N HIS B 70 4.974 -8.310 10.159 1.00 0.00 N ATOM 1827 CA HIS B 70 4.627 -9.301 11.176 1.00 0.00 C ATOM 1828 C HIS B 70 5.622 -9.374 12.334 1.00 0.00 C ATOM 1829 O HIS B 70 5.211 -9.355 13.495 1.00 0.00 O ATOM 1830 CB HIS B 70 4.462 -10.679 10.539 1.00 0.00 C ATOM 1831 CG HIS B 70 3.215 -10.798 9.722 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.045 -10.128 10.007 1.00 0.00 N ATOM 1833 CD2 HIS B 70 2.969 -11.515 8.601 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.149 -10.450 9.068 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.658 -11.289 8.196 1.00 0.00 N ATOM 0 H HIS B 70 5.168 -8.705 9.239 1.00 0.00 H new ATOM 0 HA HIS B 70 3.681 -8.971 11.606 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.325 -10.887 9.907 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.450 -11.437 11.323 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.677 -12.159 8.101 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.139 -10.070 9.032 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.188 -11.693 7.386 1.00 0.00 H new ATOM 1843 N ALA B 71 6.913 -9.426 12.036 1.00 0.00 N ATOM 1844 CA ALA B 71 7.931 -9.534 13.083 1.00 0.00 C ATOM 1845 C ALA B 71 8.051 -8.248 13.898 1.00 0.00 C ATOM 1846 O ALA B 71 8.488 -8.267 15.047 1.00 0.00 O ATOM 1847 CB ALA B 71 9.275 -9.903 12.473 1.00 0.00 C ATOM 0 H ALA B 71 7.283 -9.396 11.086 1.00 0.00 H new ATOM 0 HA ALA B 71 7.618 -10.324 13.766 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.024 -9.980 13.262 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.190 -10.860 11.958 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.575 -9.134 11.762 1.00 0.00 H new ATOM 1853 N GLY B 72 7.628 -7.145 13.309 1.00 0.00 N ATOM 1854 CA GLY B 72 7.713 -5.859 13.976 1.00 0.00 C ATOM 1855 C GLY B 72 8.586 -4.922 13.182 1.00 0.00 C ATOM 1856 O GLY B 72 9.221 -4.016 13.718 1.00 0.00 O ATOM 0 H GLY B 72 7.223 -7.113 12.373 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.716 -5.432 14.089 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.121 -5.987 14.979 1.00 0.00 H new ATOM 1860 N ASP B 73 8.580 -5.158 11.887 1.00 0.00 N ATOM 1861 CA ASP B 73 9.358 -4.401 10.931 1.00 0.00 C ATOM 1862 C ASP B 73 8.553 -3.191 10.520 1.00 0.00 C ATOM 1863 O ASP B 73 7.331 -3.201 10.648 1.00 0.00 O ATOM 1864 CB ASP B 73 9.655 -5.276 9.708 1.00 0.00 C ATOM 1865 CG ASP B 73 9.838 -6.744 10.060 1.00 0.00 C ATOM 1866 OD1 ASP B 73 10.979 -7.238 9.976 1.00 0.00 O ATOM 1867 OD2 ASP B 73 8.828 -7.406 10.420 1.00 0.00 O ATOM 0 H ASP B 73 8.022 -5.898 11.461 1.00 0.00 H new ATOM 0 HA ASP B 73 10.303 -4.085 11.372 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.840 -5.179 8.991 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.557 -4.910 9.217 1.00 0.00 H new ATOM 1872 N THR B 74 9.202 -2.151 10.033 1.00 0.00 N ATOM 1873 CA THR B 74 8.472 -0.962 9.637 1.00 0.00 C ATOM 1874 C THR B 74 9.099 -0.270 8.433 1.00 0.00 C ATOM 1875 O THR B 74 10.319 -0.138 8.335 1.00 0.00 O ATOM 1876 CB THR B 74 8.380 0.043 10.802 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.604 0.034 11.549 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.223 -0.283 11.729 1.00 0.00 C ATOM 0 H THR B 74 10.213 -2.104 9.904 1.00 0.00 H new ATOM 0 HA THR B 74 7.473 -1.297 9.358 1.00 0.00 H new ATOM 0 HB THR B 74 8.209 1.032 10.376 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.541 0.675 12.287 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.189 0.446 12.539 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.288 -0.249 11.170 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.360 -1.281 12.145 1.00 0.00 H new ATOM 1886 N THR B 75 8.245 0.148 7.513 1.00 0.00 N ATOM 1887 CA THR B 75 8.672 0.858 6.322 1.00 0.00 C ATOM 1888 C THR B 75 7.957 2.205 6.251 1.00 0.00 C ATOM 1889 O THR B 75 6.725 2.256 6.226 1.00 0.00 O ATOM 1890 CB THR B 75 8.363 0.042 5.054 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.428 -1.362 5.347 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.345 0.382 3.943 1.00 0.00 C ATOM 0 H THR B 75 7.237 0.004 7.572 1.00 0.00 H new ATOM 0 HA THR B 75 9.750 1.011 6.377 1.00 0.00 H new ATOM 0 HB THR B 75 7.357 0.295 4.718 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.911 -1.824 4.630 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.109 -0.206 3.056 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.272 1.443 3.705 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.359 0.153 4.271 1.00 0.00 H new ATOM 1900 N ASN B 76 8.724 3.288 6.240 1.00 0.00 N ATOM 1901 CA ASN B 76 8.148 4.631 6.193 1.00 0.00 C ATOM 1902 C ASN B 76 8.059 5.164 4.773 1.00 0.00 C ATOM 1903 O ASN B 76 8.980 5.001 3.975 1.00 0.00 O ATOM 1904 CB ASN B 76 8.965 5.608 7.041 1.00 0.00 C ATOM 1905 CG ASN B 76 8.482 5.692 8.474 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.426 5.167 8.821 1.00 0.00 O ATOM 1907 ND2 ASN B 76 9.246 6.364 9.315 1.00 0.00 N ATOM 0 H ASN B 76 9.744 3.266 6.263 1.00 0.00 H new ATOM 0 HA ASN B 76 7.139 4.549 6.597 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.011 5.301 7.033 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.920 6.599 6.589 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.967 6.462 10.291 1.00 0.00 H new ATOM 0 HD22 ASN B 76 10.116 6.785 8.989 1.00 0.00 H new ATOM 1914 N PHE B 77 6.936 5.796 4.468 1.00 0.00 N ATOM 1915 CA PHE B 77 6.709 6.389 3.160 1.00 0.00 C ATOM 1916 C PHE B 77 6.215 7.820 3.322 1.00 0.00 C ATOM 1917 O PHE B 77 5.064 8.052 3.696 1.00 0.00 O ATOM 1918 CB PHE B 77 5.701 5.561 2.358 1.00 0.00 C ATOM 1919 CG PHE B 77 6.210 4.195 2.008 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.562 3.061 2.467 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.346 4.047 1.231 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.037 1.803 2.153 1.00 0.00 C ATOM 1923 CE2 PHE B 77 7.826 2.791 0.913 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.169 1.667 1.375 1.00 0.00 C ATOM 0 H PHE B 77 6.159 5.912 5.118 1.00 0.00 H new ATOM 0 HA PHE B 77 7.650 6.399 2.611 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.780 5.463 2.933 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.449 6.094 1.441 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.676 3.161 3.077 1.00 0.00 H new ATOM 0 HD2 PHE B 77 7.863 4.923 0.869 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.523 0.925 2.516 1.00 0.00 H new ATOM 0 HE2 PHE B 77 8.713 2.688 0.305 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.540 0.683 1.128 1.00 0.00 H new ATOM 1934 N HIS B 78 7.096 8.769 3.048 1.00 0.00 N ATOM 1935 CA HIS B 78 6.782 10.185 3.175 1.00 0.00 C ATOM 1936 C HIS B 78 6.149 10.720 1.898 1.00 0.00 C ATOM 1937 O HIS B 78 6.770 10.720 0.837 1.00 0.00 O ATOM 1938 CB HIS B 78 8.072 10.957 3.506 1.00 0.00 C ATOM 1939 CG HIS B 78 7.962 12.460 3.505 1.00 0.00 C ATOM 1940 ND1 HIS B 78 9.054 13.297 3.577 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.878 13.275 3.422 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.613 14.559 3.533 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.299 14.601 3.438 1.00 0.00 N ATOM 0 H HIS B 78 8.047 8.581 2.732 1.00 0.00 H new ATOM 0 HA HIS B 78 6.060 10.320 3.980 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.420 10.639 4.489 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.839 10.668 2.787 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.852 12.946 3.354 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.250 15.430 3.570 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.712 15.434 3.387 1.00 0.00 H new ATOM 1951 N PHE B 79 4.911 11.176 2.011 1.00 0.00 N ATOM 1952 CA PHE B 79 4.203 11.744 0.878 1.00 0.00 C ATOM 1953 C PHE B 79 4.648 13.190 0.694 1.00 0.00 C ATOM 1954 O PHE B 79 3.961 14.123 1.103 1.00 0.00 O ATOM 1955 CB PHE B 79 2.689 11.676 1.096 1.00 0.00 C ATOM 1956 CG PHE B 79 2.155 10.278 1.228 1.00 0.00 C ATOM 1957 CD1 PHE B 79 2.077 9.664 2.468 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.727 9.581 0.113 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.582 8.379 2.591 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.233 8.296 0.229 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.160 7.694 1.469 1.00 0.00 C ATOM 0 H PHE B 79 4.376 11.163 2.879 1.00 0.00 H new ATOM 0 HA PHE B 79 4.437 11.170 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.436 12.238 1.995 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.189 12.168 0.262 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.407 10.196 3.348 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.780 10.047 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.526 7.912 3.563 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.904 7.763 -0.650 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.774 6.690 1.561 1.00 0.00 H new ATOM 1971 N SER B 80 5.815 13.360 0.087 1.00 0.00 N ATOM 1972 CA SER B 80 6.393 14.679 -0.143 1.00 0.00 C ATOM 1973 C SER B 80 5.725 15.417 -1.304 1.00 0.00 C ATOM 1974 O SER B 80 6.330 16.288 -1.929 1.00 0.00 O ATOM 1975 CB SER B 80 7.893 14.536 -0.399 1.00 0.00 C ATOM 1976 OG SER B 80 8.190 13.289 -1.005 1.00 0.00 O ATOM 0 H SER B 80 6.387 12.590 -0.259 1.00 0.00 H new ATOM 0 HA SER B 80 6.221 15.278 0.751 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.234 15.347 -1.042 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.436 14.625 0.542 1.00 0.00 H new ATOM 0 HG SER B 80 7.524 13.095 -1.697 1.00 0.00 H new ATOM 1982 N ASN B 81 4.481 15.074 -1.587 1.00 0.00 N ATOM 1983 CA ASN B 81 3.744 15.719 -2.656 1.00 0.00 C ATOM 1984 C ASN B 81 2.709 16.659 -2.062 1.00 0.00 C ATOM 1985 O ASN B 81 1.589 16.258 -1.789 1.00 0.00 O ATOM 1986 CB ASN B 81 3.065 14.679 -3.551 1.00 0.00 C ATOM 1987 CG ASN B 81 2.442 15.296 -4.787 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.889 16.336 -5.273 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.412 14.659 -5.309 1.00 0.00 N ATOM 0 H ASN B 81 3.960 14.351 -1.090 1.00 0.00 H new ATOM 0 HA ASN B 81 4.440 16.290 -3.270 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.797 13.930 -3.852 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.295 14.160 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.956 15.025 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.071 13.800 -4.877 1.00 0.00 H new ATOM 1996 N GLU B 82 3.105 17.910 -1.864 1.00 0.00 N ATOM 1997 CA GLU B 82 2.233 18.942 -1.288 1.00 0.00 C ATOM 1998 C GLU B 82 0.845 18.935 -1.925 1.00 0.00 C ATOM 1999 O GLU B 82 -0.172 19.057 -1.235 1.00 0.00 O ATOM 2000 CB GLU B 82 2.856 20.336 -1.467 1.00 0.00 C ATOM 2001 CG GLU B 82 4.257 20.340 -2.074 1.00 0.00 C ATOM 2002 CD GLU B 82 4.280 19.994 -3.556 1.00 0.00 C ATOM 2003 OE1 GLU B 82 3.208 19.725 -4.138 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.381 19.950 -4.138 1.00 0.00 O ATOM 0 H GLU B 82 4.040 18.244 -2.097 1.00 0.00 H new ATOM 0 HA GLU B 82 2.130 18.713 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU B 82 2.200 20.933 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.895 20.828 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.702 21.325 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.880 19.628 -1.533 1.00 0.00 H new ATOM 2011 N SER B 83 0.823 18.780 -3.240 1.00 0.00 N ATOM 2012 CA SER B 83 -0.407 18.765 -4.015 1.00 0.00 C ATOM 2013 C SER B 83 -1.451 17.791 -3.448 1.00 0.00 C ATOM 2014 O SER B 83 -2.576 18.192 -3.122 1.00 0.00 O ATOM 2015 CB SER B 83 -0.089 18.404 -5.467 1.00 0.00 C ATOM 2016 OG SER B 83 1.083 19.071 -5.918 1.00 0.00 O ATOM 0 H SER B 83 1.665 18.660 -3.803 1.00 0.00 H new ATOM 0 HA SER B 83 -0.842 19.763 -3.960 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.046 17.326 -5.555 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.932 18.673 -6.104 1.00 0.00 H new ATOM 0 HG SER B 83 1.264 18.821 -6.848 1.00 0.00 H new ATOM 2022 N THR B 84 -1.091 16.520 -3.312 1.00 0.00 N ATOM 2023 CA THR B 84 -2.036 15.528 -2.819 1.00 0.00 C ATOM 2024 C THR B 84 -1.460 14.636 -1.716 1.00 0.00 C ATOM 2025 O THR B 84 -1.838 13.481 -1.611 1.00 0.00 O ATOM 2026 CB THR B 84 -2.527 14.643 -3.982 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.506 14.543 -4.978 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.791 15.214 -4.606 1.00 0.00 C ATOM 0 H THR B 84 -0.164 16.156 -3.533 1.00 0.00 H new ATOM 0 HA THR B 84 -2.865 16.085 -2.382 1.00 0.00 H new ATOM 0 HB THR B 84 -2.754 13.653 -3.585 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.908 13.797 -4.760 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.116 14.571 -5.424 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.577 15.268 -3.852 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.588 16.214 -4.990 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.602 15.189 -0.867 1.00 0.00 N ATOM 2037 CA ALA B 85 0.026 14.423 0.220 1.00 0.00 C ATOM 2038 C ALA B 85 -1.008 13.702 1.074 1.00 0.00 C ATOM 2039 O ALA B 85 -1.027 12.475 1.144 1.00 0.00 O ATOM 2040 CB ALA B 85 0.872 15.337 1.095 1.00 0.00 C ATOM 0 H ALA B 85 -0.320 16.168 -0.905 1.00 0.00 H new ATOM 0 HA ALA B 85 0.665 13.670 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.329 14.754 1.894 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.652 15.799 0.491 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.241 16.113 1.528 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.862 14.478 1.723 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.912 13.932 2.574 1.00 0.00 C ATOM 2048 C VAL B 86 -3.845 13.026 1.767 1.00 0.00 C ATOM 2049 O VAL B 86 -4.261 11.966 2.227 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.733 15.074 3.214 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.902 14.532 4.016 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.859 15.944 4.094 1.00 0.00 C ATOM 0 H VAL B 86 -1.849 15.497 1.677 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.438 13.344 3.360 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.128 15.684 2.402 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.459 15.361 4.453 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.558 13.959 3.361 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.529 13.886 4.811 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.461 16.740 4.532 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.425 15.338 4.889 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.060 16.381 3.495 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.119 13.440 0.536 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.017 12.703 -0.352 1.00 0.00 C ATOM 2064 C LYS B 87 -4.451 11.329 -0.710 1.00 0.00 C ATOM 2065 O LYS B 87 -5.117 10.309 -0.528 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.283 13.510 -1.628 1.00 0.00 C ATOM 2067 CG LYS B 87 -6.020 14.825 -1.393 1.00 0.00 C ATOM 2068 CD LYS B 87 -5.058 15.998 -1.261 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.741 17.324 -1.572 1.00 0.00 C ATOM 2070 NZ LYS B 87 -4.779 18.463 -1.587 1.00 0.00 N ATOM 0 H LYS B 87 -3.730 14.289 0.125 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.956 12.551 0.180 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.331 13.722 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.865 12.898 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.706 15.009 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -6.624 14.747 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.654 16.025 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -4.215 15.855 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.237 17.257 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.516 17.515 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.176 19.245 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.607 18.785 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -3.882 18.154 -2.013 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.222 11.306 -1.216 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.568 10.060 -1.595 1.00 0.00 C ATOM 2086 C GLU B 88 -2.339 9.197 -0.360 1.00 0.00 C ATOM 2087 O GLU B 88 -2.351 7.968 -0.436 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.248 10.347 -2.320 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.441 11.048 -3.660 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.150 11.582 -4.251 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.526 10.844 -4.998 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.177 12.760 -3.987 1.00 0.00 O ATOM 0 H GLU B 88 -2.657 12.141 -1.373 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.214 9.513 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.617 10.965 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.717 9.409 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.894 10.351 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.142 11.873 -3.533 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.147 9.855 0.781 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.950 9.163 2.049 1.00 0.00 C ATOM 2101 C ARG B 89 -3.150 8.277 2.338 1.00 0.00 C ATOM 2102 O ARG B 89 -3.010 7.081 2.584 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.762 10.179 3.184 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.422 9.568 4.540 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.663 9.221 5.361 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.679 10.277 5.342 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.875 11.158 6.326 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.098 11.163 7.400 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.866 12.029 6.232 1.00 0.00 N ATOM 0 H ARG B 89 -2.124 10.872 0.851 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.054 8.545 1.982 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.969 10.872 2.904 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.676 10.764 3.284 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.828 8.666 4.389 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.803 10.266 5.103 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.099 8.299 4.977 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.367 9.029 6.392 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.278 10.344 4.519 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.338 10.488 7.483 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.260 11.842 8.144 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.473 12.024 5.412 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.023 12.706 6.979 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.329 8.882 2.291 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.579 8.176 2.552 1.00 0.00 C ATOM 2125 C ASP B 90 -5.847 7.120 1.488 1.00 0.00 C ATOM 2126 O ASP B 90 -6.405 6.069 1.788 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.743 9.164 2.622 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.827 9.843 3.972 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.530 9.317 4.858 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.169 10.884 4.157 1.00 0.00 O ATOM 0 H ASP B 90 -4.447 9.871 2.072 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.485 7.671 3.513 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.627 9.918 1.843 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.677 8.639 2.421 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.435 7.391 0.252 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.632 6.446 -0.838 1.00 0.00 C ATOM 2137 C ALA B 91 -4.876 5.151 -0.566 1.00 0.00 C ATOM 2138 O ALA B 91 -5.417 4.060 -0.734 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.187 7.056 -2.160 1.00 0.00 C ATOM 0 H ALA B 91 -4.964 8.255 -0.017 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.695 6.216 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.341 6.336 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.771 7.954 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.130 7.315 -2.103 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.628 5.278 -0.130 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.805 4.114 0.179 1.00 0.00 C ATOM 2147 C VAL B 92 -3.293 3.478 1.467 1.00 0.00 C ATOM 2148 O VAL B 92 -3.348 2.261 1.600 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.318 4.495 0.353 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.466 3.261 0.606 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.810 5.251 -0.860 1.00 0.00 C ATOM 0 H VAL B 92 -3.164 6.174 0.018 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.890 3.418 -0.655 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.239 5.147 1.223 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.576 3.557 0.725 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.808 2.763 1.513 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.555 2.578 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.239 5.509 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.911 4.626 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.393 6.163 -0.991 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.683 4.337 2.386 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.157 3.939 3.694 1.00 0.00 C ATOM 2163 C LYS B 93 -5.417 3.089 3.596 1.00 0.00 C ATOM 2164 O LYS B 93 -5.455 1.966 4.104 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.398 5.213 4.506 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.495 5.121 5.544 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.722 6.472 6.191 1.00 0.00 C ATOM 2168 CE LYS B 93 -7.100 6.568 6.808 1.00 0.00 C ATOM 2169 NZ LYS B 93 -8.127 7.011 5.826 1.00 0.00 N ATOM 0 H LYS B 93 -3.679 5.347 2.242 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.412 3.316 4.190 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.469 5.486 5.006 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.639 6.023 3.817 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.417 4.774 5.078 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.226 4.387 6.304 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.966 6.640 6.958 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.600 7.258 5.446 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.383 5.597 7.214 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.074 7.267 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.072 6.933 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.948 8.000 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.079 6.410 4.979 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.431 3.619 2.923 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.703 2.926 2.759 1.00 0.00 C ATOM 2185 C ASP B 94 -7.559 1.675 1.907 1.00 0.00 C ATOM 2186 O ASP B 94 -8.176 0.645 2.184 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.748 3.863 2.155 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.546 4.596 3.217 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.781 4.402 3.275 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.941 5.336 4.022 1.00 0.00 O ATOM 0 H ASP B 94 -6.396 4.536 2.478 1.00 0.00 H new ATOM 0 HA ASP B 94 -8.036 2.614 3.749 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.253 4.589 1.510 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.427 3.289 1.525 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.722 1.752 0.893 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.510 0.613 0.013 1.00 0.00 C ATOM 2197 C LEU B 95 -5.714 -0.455 0.742 1.00 0.00 C ATOM 2198 O LEU B 95 -5.823 -1.641 0.437 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.803 1.034 -1.277 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.015 0.093 -2.467 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.498 -0.079 -2.755 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.294 0.620 -3.697 1.00 0.00 C ATOM 0 H LEU B 95 -6.180 2.583 0.656 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.481 0.203 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.148 2.030 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.734 1.111 -1.079 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.598 -0.881 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.628 -0.751 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.992 -0.500 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.938 0.890 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.455 -0.061 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.682 1.606 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.226 0.693 -3.489 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.913 -0.038 1.713 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.147 -0.984 2.494 1.00 0.00 C ATOM 2216 C LEU B 96 -5.085 -1.746 3.409 1.00 0.00 C ATOM 2217 O LEU B 96 -5.100 -2.966 3.373 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.040 -0.304 3.278 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.710 -0.206 2.537 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.689 0.526 3.380 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.196 -1.587 2.167 1.00 0.00 C ATOM 0 H LEU B 96 -4.781 0.940 1.973 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.658 -1.684 1.817 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.367 0.700 3.547 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.884 -0.849 4.209 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.873 0.357 1.618 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.254 0.587 2.837 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.049 1.532 3.596 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.535 -0.013 4.315 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.247 -1.493 1.640 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.051 -2.176 3.073 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.921 -2.085 1.523 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.878 -1.040 4.234 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.868 -1.713 5.077 1.00 0.00 C ATOM 2235 C GLN B 97 -7.784 -2.591 4.223 1.00 0.00 C ATOM 2236 O GLN B 97 -8.486 -3.461 4.731 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.697 -0.695 5.863 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.851 0.638 5.177 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.989 1.792 6.146 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.551 2.834 5.823 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.509 1.606 7.350 1.00 0.00 N ATOM 0 H GLN B 97 -5.851 -0.025 4.331 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.336 -2.344 5.788 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.687 -1.113 6.046 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.232 -0.538 6.836 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.987 0.812 4.535 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.728 0.608 4.530 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.047 0.727 7.585 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.597 2.340 8.053 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.787 -2.326 2.926 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.571 -3.097 1.981 1.00 0.00 C ATOM 2252 C GLN B 98 -7.853 -4.378 1.553 1.00 0.00 C ATOM 2253 O GLN B 98 -8.388 -5.472 1.702 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.872 -2.237 0.752 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.155 -1.446 0.876 1.00 0.00 C ATOM 2256 CD GLN B 98 -10.903 -1.771 2.147 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -10.767 -1.086 3.159 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.681 -2.836 2.109 1.00 0.00 N ATOM 0 H GLN B 98 -7.247 -1.572 2.502 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.499 -3.389 2.473 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.043 -1.549 0.587 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.933 -2.879 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.927 -0.380 0.853 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.793 -1.654 0.017 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.765 -3.376 1.248 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.199 -3.119 2.941 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.636 -4.231 1.048 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.862 -5.366 0.544 1.00 0.00 C ATOM 2269 C LEU B 99 -5.104 -6.134 1.630 1.00 0.00 C ATOM 2270 O LEU B 99 -5.011 -7.360 1.567 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.877 -4.871 -0.510 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.527 -4.243 -1.737 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.570 -3.283 -2.423 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.982 -5.320 -2.704 1.00 0.00 C ATOM 0 H LEU B 99 -6.158 -3.333 0.975 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.580 -6.068 0.119 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.212 -4.139 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.257 -5.708 -0.831 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.400 -3.678 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.056 -2.847 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.291 -2.490 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.676 -3.822 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.444 -4.855 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.123 -5.911 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.707 -5.969 -2.212 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.576 -5.416 2.616 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.788 -6.019 3.699 1.00 0.00 C ATOM 2288 C LEU B 100 -4.446 -7.260 4.327 1.00 0.00 C ATOM 2289 O LEU B 100 -3.816 -8.315 4.387 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.460 -4.980 4.783 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.269 -4.077 4.458 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.064 -2.999 5.528 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.017 -4.917 4.299 1.00 0.00 C ATOM 0 H LEU B 100 -4.678 -4.404 2.692 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.864 -6.364 3.236 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.338 -4.356 4.948 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.259 -5.501 5.719 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.480 -3.563 3.520 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.209 -2.379 5.260 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.957 -2.377 5.594 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.880 -3.473 6.492 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.171 -4.269 4.068 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.819 -5.455 5.226 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.159 -5.632 3.489 1.00 0.00 H new