USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 CYS SG : rot -27:sc= -1.34 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -4.97! K(o=-6.3!,f=-2.7) USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 89 SER OG : rot 170:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 22 MET CE :methyl -162:sc= 0 (180deg=-0.219) USER MOD Single : A 23 THR OG1 : rot 40:sc= 0.273 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 132:sc= 0.509 (180deg=-0.648!) USER MOD Single : A 35 THR OG1 : rot 64:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 53 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0.036) USER MOD Single : A 54 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.2) USER MOD Single : A 55 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.41) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 1.49 (180deg=1.31) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -154:sc= -1.34 USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00602 (180deg=-0.172) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -39:sc= 0.913 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 120:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -2.01! K(o=-2!,f=-0.087) USER MOD Single : B 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 143:sc= 1.16 (180deg=0.479) USER MOD Single : B 35 THR OG1 : rot 69:sc= 1.23 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= 0.357 K(o=0.36,f=-2.8!) USER MOD Single : B 54 ASN : amide:sc= -0.0542 K(o=-0.054,f=-2.7!) USER MOD Single : B 55 GLN : amide:sc= 0.409 K(o=0.41,f=-0.87) USER MOD Single : B 56 CYS SG : rot 180:sc= -0.0866 USER MOD Single : B 57 LYS NZ :NH3+ -150:sc= 2.15 (180deg=0.987) USER MOD Single : B 59 CYS SG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= -1.65! K(o=-1.7!,f=0) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc=-0.000216 X(o=-0.00022,f=-0.00022) USER MOD Single : B 78 CYS SG : rot -73:sc= -0.422 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 SER OG : rot -40:sc= 0.467 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 7.276 -6.496 12.878 1.00 0.00 N ATOM 240 CA LEU A 17 6.660 -7.511 13.722 1.00 0.00 C ATOM 241 C LEU A 17 5.195 -7.169 13.964 1.00 0.00 C ATOM 242 O LEU A 17 4.656 -7.385 15.057 1.00 0.00 O ATOM 243 CB LEU A 17 7.415 -7.625 15.049 1.00 0.00 C ATOM 244 CG LEU A 17 7.082 -8.864 15.887 1.00 0.00 C ATOM 245 CD1 LEU A 17 7.532 -10.131 15.175 1.00 0.00 C ATOM 246 CD2 LEU A 17 7.720 -8.766 17.263 1.00 0.00 C ATOM 0 HA LEU A 17 6.712 -8.474 13.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.485 -7.624 14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.206 -6.737 15.645 1.00 0.00 H new ATOM 0 HG LEU A 17 6.000 -8.911 16.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.286 -10.999 15.787 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.023 -10.209 14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.609 -10.094 15.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.472 -9.655 17.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.802 -8.692 17.158 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.344 -7.881 17.776 1.00 0.00 H new ATOM 258 N TYR A 18 4.556 -6.655 12.916 1.00 0.00 N ATOM 259 CA TYR A 18 3.173 -6.218 12.968 1.00 0.00 C ATOM 260 C TYR A 18 3.015 -5.091 14.001 1.00 0.00 C ATOM 261 O TYR A 18 4.002 -4.526 14.472 1.00 0.00 O ATOM 262 CB TYR A 18 2.278 -7.423 13.273 1.00 0.00 C ATOM 263 CG TYR A 18 0.807 -7.225 12.968 1.00 0.00 C ATOM 264 CD1 TYR A 18 0.367 -7.070 11.659 1.00 0.00 C ATOM 265 CD2 TYR A 18 -0.142 -7.194 13.984 1.00 0.00 C ATOM 266 CE1 TYR A 18 -0.973 -6.899 11.370 1.00 0.00 C ATOM 267 CE2 TYR A 18 -1.485 -7.022 13.702 1.00 0.00 C ATOM 268 CZ TYR A 18 -1.893 -6.868 12.394 1.00 0.00 C ATOM 269 OH TYR A 18 -3.226 -6.692 12.112 1.00 0.00 O ATOM 0 H TYR A 18 4.991 -6.531 12.002 1.00 0.00 H new ATOM 0 HA TYR A 18 2.867 -5.809 12.005 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.640 -8.278 12.702 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.383 -7.676 14.328 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.086 -7.083 10.853 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.175 -7.306 15.010 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.297 -6.790 10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.210 -7.008 14.502 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.740 -6.695 12.946 1.00 0.00 H new ATOM 279 N PHE A 19 1.781 -4.759 14.347 1.00 0.00 N ATOM 280 CA PHE A 19 1.509 -3.628 15.226 1.00 0.00 C ATOM 281 C PHE A 19 1.761 -3.971 16.692 1.00 0.00 C ATOM 282 O PHE A 19 1.576 -3.130 17.572 1.00 0.00 O ATOM 283 CB PHE A 19 0.072 -3.144 15.033 1.00 0.00 C ATOM 284 CG PHE A 19 -0.195 -2.657 13.640 1.00 0.00 C ATOM 285 CD1 PHE A 19 0.043 -1.339 13.299 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.669 -3.523 12.670 1.00 0.00 C ATOM 287 CE1 PHE A 19 -0.189 -0.890 12.015 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.901 -3.083 11.385 1.00 0.00 C ATOM 289 CZ PHE A 19 -0.660 -1.766 11.056 1.00 0.00 C ATOM 0 H PHE A 19 0.948 -5.257 14.032 1.00 0.00 H new ATOM 0 HA PHE A 19 2.198 -2.828 14.955 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.615 -3.957 15.267 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.134 -2.340 15.740 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.415 -0.653 14.046 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.859 -4.556 12.923 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.003 0.143 11.760 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.271 -3.769 10.637 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.839 -1.419 10.049 1.00 0.00 H new ATOM 299 N GLN A 20 2.186 -5.201 16.952 1.00 0.00 N ATOM 300 CA GLN A 20 2.530 -5.609 18.305 1.00 0.00 C ATOM 301 C GLN A 20 3.910 -5.079 18.666 1.00 0.00 C ATOM 302 O GLN A 20 4.097 -4.464 19.714 1.00 0.00 O ATOM 303 CB GLN A 20 2.506 -7.133 18.436 1.00 0.00 C ATOM 304 CG GLN A 20 2.695 -7.622 19.865 1.00 0.00 C ATOM 305 CD GLN A 20 2.773 -9.133 19.964 1.00 0.00 C ATOM 306 OE1 GLN A 20 2.201 -9.855 19.150 1.00 0.00 O ATOM 307 NE2 GLN A 20 3.486 -9.622 20.967 1.00 0.00 N ATOM 0 H GLN A 20 2.300 -5.929 16.247 1.00 0.00 H new ATOM 0 HA GLN A 20 1.791 -5.194 18.991 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.556 -7.508 18.055 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.291 -7.556 17.809 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.607 -7.188 20.275 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.868 -7.265 20.479 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.946 -8.989 21.622 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.575 -10.631 21.085 1.00 0.00 H new ATOM 316 N GLY A 21 4.868 -5.291 17.776 1.00 0.00 N ATOM 317 CA GLY A 21 6.220 -4.846 18.028 1.00 0.00 C ATOM 318 C GLY A 21 6.829 -4.174 16.820 1.00 0.00 C ATOM 319 O GLY A 21 7.740 -4.714 16.197 1.00 0.00 O ATOM 0 H GLY A 21 4.731 -5.764 16.883 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.223 -4.152 18.869 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.834 -5.699 18.317 1.00 0.00 H new ATOM 323 N MET A 22 6.314 -3.001 16.475 1.00 0.00 N ATOM 324 CA MET A 22 6.841 -2.250 15.343 1.00 0.00 C ATOM 325 C MET A 22 8.276 -1.814 15.602 1.00 0.00 C ATOM 326 O MET A 22 8.613 -1.347 16.692 1.00 0.00 O ATOM 327 CB MET A 22 5.964 -1.035 15.032 1.00 0.00 C ATOM 328 CG MET A 22 4.757 -1.367 14.171 1.00 0.00 C ATOM 329 SD MET A 22 5.227 -1.981 12.541 1.00 0.00 S ATOM 330 CE MET A 22 3.626 -2.212 11.770 1.00 0.00 C ATOM 0 H MET A 22 5.537 -2.551 16.959 1.00 0.00 H new ATOM 0 HA MET A 22 6.832 -2.909 14.475 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.623 -0.593 15.968 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.567 -0.281 14.525 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.147 -2.116 14.677 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.139 -0.477 14.057 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.729 -2.871 10.908 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.938 -2.659 12.488 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.236 -1.247 11.445 1.00 0.00 H new ATOM 340 N THR A 23 9.117 -1.972 14.593 1.00 0.00 N ATOM 341 CA THR A 23 10.528 -1.666 14.720 1.00 0.00 C ATOM 342 C THR A 23 10.906 -0.492 13.810 1.00 0.00 C ATOM 343 O THR A 23 10.033 0.155 13.225 1.00 0.00 O ATOM 344 CB THR A 23 11.389 -2.912 14.390 1.00 0.00 C ATOM 345 OG1 THR A 23 12.773 -2.657 14.665 1.00 0.00 O ATOM 346 CG2 THR A 23 11.224 -3.321 12.935 1.00 0.00 C ATOM 0 H THR A 23 8.842 -2.313 13.672 1.00 0.00 H new ATOM 0 HA THR A 23 10.726 -1.378 15.753 1.00 0.00 H new ATOM 0 HB THR A 23 11.044 -3.729 15.023 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.852 -2.140 15.494 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.839 -4.197 12.731 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.178 -3.559 12.740 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.536 -2.501 12.289 1.00 0.00 H new ATOM 354 N ASP A 24 12.201 -0.229 13.699 1.00 0.00 N ATOM 355 CA ASP A 24 12.717 0.895 12.919 1.00 0.00 C ATOM 356 C ASP A 24 12.424 0.744 11.430 1.00 0.00 C ATOM 357 O ASP A 24 11.848 1.636 10.805 1.00 0.00 O ATOM 358 CB ASP A 24 14.228 1.019 13.131 1.00 0.00 C ATOM 359 CG ASP A 24 14.908 1.819 12.035 1.00 0.00 C ATOM 360 OD1 ASP A 24 14.843 3.064 12.069 1.00 0.00 O ATOM 361 OD2 ASP A 24 15.502 1.201 11.126 1.00 0.00 O ATOM 0 H ASP A 24 12.927 -0.788 14.147 1.00 0.00 H new ATOM 0 HA ASP A 24 12.211 1.795 13.267 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.418 1.494 14.094 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.668 0.023 13.175 1.00 0.00 H new ATOM 366 N THR A 25 12.801 -0.396 10.873 1.00 0.00 N ATOM 367 CA THR A 25 12.758 -0.592 9.432 1.00 0.00 C ATOM 368 C THR A 25 11.344 -0.904 8.936 1.00 0.00 C ATOM 369 O THR A 25 11.144 -1.247 7.774 1.00 0.00 O ATOM 370 CB THR A 25 13.725 -1.711 9.023 1.00 0.00 C ATOM 371 OG1 THR A 25 14.880 -1.672 9.877 1.00 0.00 O ATOM 372 CG2 THR A 25 14.169 -1.552 7.575 1.00 0.00 C ATOM 0 H THR A 25 13.141 -1.202 11.398 1.00 0.00 H new ATOM 0 HA THR A 25 13.067 0.343 8.964 1.00 0.00 H new ATOM 0 HB THR A 25 13.209 -2.666 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.500 -2.386 9.621 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.853 -2.359 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.298 -1.589 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.674 -0.594 7.452 1.00 0.00 H new ATOM 380 N ALA A 26 10.359 -0.742 9.816 1.00 0.00 N ATOM 381 CA ALA A 26 8.960 -0.891 9.432 1.00 0.00 C ATOM 382 C ALA A 26 8.545 0.272 8.536 1.00 0.00 C ATOM 383 O ALA A 26 7.476 0.278 7.940 1.00 0.00 O ATOM 384 CB ALA A 26 8.070 -0.957 10.663 1.00 0.00 C ATOM 0 H ALA A 26 10.505 -0.508 10.798 1.00 0.00 H new ATOM 0 HA ALA A 26 8.844 -1.824 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.030 -1.068 10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.360 -1.810 11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.181 -0.040 11.242 1.00 0.00 H new ATOM 390 N ALA A 27 9.404 1.276 8.480 1.00 0.00 N ATOM 391 CA ALA A 27 9.214 2.402 7.585 1.00 0.00 C ATOM 392 C ALA A 27 9.555 2.009 6.150 1.00 0.00 C ATOM 393 O ALA A 27 9.045 2.589 5.197 1.00 0.00 O ATOM 394 CB ALA A 27 10.068 3.579 8.037 1.00 0.00 C ATOM 0 H ALA A 27 10.248 1.333 9.051 1.00 0.00 H new ATOM 0 HA ALA A 27 8.166 2.700 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.918 4.419 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.779 3.872 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.119 3.290 8.030 1.00 0.00 H new ATOM 400 N GLU A 28 10.423 1.027 6.001 1.00 0.00 N ATOM 401 CA GLU A 28 10.938 0.664 4.690 1.00 0.00 C ATOM 402 C GLU A 28 9.903 -0.151 3.913 1.00 0.00 C ATOM 403 O GLU A 28 9.588 0.167 2.767 1.00 0.00 O ATOM 404 CB GLU A 28 12.255 -0.108 4.863 1.00 0.00 C ATOM 405 CG GLU A 28 13.146 -0.154 3.626 1.00 0.00 C ATOM 406 CD GLU A 28 12.713 -1.187 2.604 1.00 0.00 C ATOM 407 OE1 GLU A 28 12.425 -2.335 2.994 1.00 0.00 O ATOM 408 OE2 GLU A 28 12.682 -0.863 1.399 1.00 0.00 O ATOM 0 H GLU A 28 10.788 0.465 6.770 1.00 0.00 H new ATOM 0 HA GLU A 28 11.137 1.565 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.818 0.343 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.022 -1.130 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.152 0.829 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.170 -0.366 3.934 1.00 0.00 H new ATOM 415 N ASP A 29 9.337 -1.162 4.555 1.00 0.00 N ATOM 416 CA ASP A 29 8.422 -2.082 3.888 1.00 0.00 C ATOM 417 C ASP A 29 7.007 -1.513 3.798 1.00 0.00 C ATOM 418 O ASP A 29 6.387 -1.553 2.732 1.00 0.00 O ATOM 419 CB ASP A 29 8.419 -3.459 4.580 1.00 0.00 C ATOM 420 CG ASP A 29 8.185 -3.406 6.085 1.00 0.00 C ATOM 421 OD1 ASP A 29 8.173 -2.297 6.657 1.00 0.00 O ATOM 422 OD2 ASP A 29 8.031 -4.485 6.698 1.00 0.00 O ATOM 0 H ASP A 29 9.495 -1.368 5.541 1.00 0.00 H new ATOM 0 HA ASP A 29 8.784 -2.214 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.646 -4.079 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.373 -3.950 4.390 1.00 0.00 H new ATOM 427 N VAL A 30 6.506 -0.968 4.901 1.00 0.00 N ATOM 428 CA VAL A 30 5.144 -0.434 4.947 1.00 0.00 C ATOM 429 C VAL A 30 4.951 0.752 3.988 1.00 0.00 C ATOM 430 O VAL A 30 3.890 0.905 3.384 1.00 0.00 O ATOM 431 CB VAL A 30 4.753 -0.016 6.384 1.00 0.00 C ATOM 432 CG1 VAL A 30 3.359 0.595 6.421 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.827 -1.211 7.318 1.00 0.00 C ATOM 0 H VAL A 30 7.021 -0.883 5.777 1.00 0.00 H new ATOM 0 HA VAL A 30 4.486 -1.240 4.621 1.00 0.00 H new ATOM 0 HB VAL A 30 5.462 0.741 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.113 0.879 7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.332 1.478 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.633 -0.134 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.549 -0.903 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.141 -1.985 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.844 -1.604 7.326 1.00 0.00 H new ATOM 443 N ARG A 31 5.970 1.585 3.832 1.00 0.00 N ATOM 444 CA ARG A 31 5.858 2.749 2.952 1.00 0.00 C ATOM 445 C ARG A 31 5.894 2.339 1.479 1.00 0.00 C ATOM 446 O ARG A 31 5.303 3.009 0.629 1.00 0.00 O ATOM 447 CB ARG A 31 6.938 3.784 3.271 1.00 0.00 C ATOM 448 CG ARG A 31 6.728 4.451 4.625 1.00 0.00 C ATOM 449 CD ARG A 31 7.903 5.330 5.027 1.00 0.00 C ATOM 450 NE ARG A 31 7.989 6.562 4.245 1.00 0.00 N ATOM 451 CZ ARG A 31 8.885 7.523 4.478 1.00 0.00 C ATOM 452 NH1 ARG A 31 9.837 7.342 5.389 1.00 0.00 N ATOM 453 NH2 ARG A 31 8.846 8.654 3.783 1.00 0.00 N ATOM 0 H ARG A 31 6.874 1.483 4.294 1.00 0.00 H new ATOM 0 HA ARG A 31 4.889 3.214 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.915 3.301 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.947 4.546 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.821 5.054 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.575 3.685 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.816 5.582 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.828 4.766 4.909 1.00 0.00 H new ATOM 0 HE ARG A 31 7.328 6.694 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.883 6.467 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.521 8.078 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.130 8.790 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.532 9.387 3.963 1.00 0.00 H new ATOM 467 N LYS A 32 6.575 1.234 1.180 1.00 0.00 N ATOM 468 CA LYS A 32 6.687 0.754 -0.199 1.00 0.00 C ATOM 469 C LYS A 32 5.338 0.325 -0.770 1.00 0.00 C ATOM 470 O LYS A 32 5.048 0.599 -1.934 1.00 0.00 O ATOM 471 CB LYS A 32 7.687 -0.399 -0.307 1.00 0.00 C ATOM 472 CG LYS A 32 9.135 0.056 -0.306 1.00 0.00 C ATOM 473 CD LYS A 32 10.094 -1.107 -0.507 1.00 0.00 C ATOM 474 CE LYS A 32 9.930 -2.160 0.576 1.00 0.00 C ATOM 475 NZ LYS A 32 11.133 -3.019 0.703 1.00 0.00 N ATOM 0 H LYS A 32 7.056 0.656 1.869 1.00 0.00 H new ATOM 0 HA LYS A 32 7.052 1.594 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.529 -1.086 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.490 -0.956 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.285 0.791 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.359 0.553 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.920 -1.558 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.120 -0.738 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.731 -1.671 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.063 -2.781 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.401 -3.095 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.925 -3.966 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.918 -2.598 0.166 1.00 0.00 H new ATOM 489 N ILE A 33 4.509 -0.334 0.040 1.00 0.00 N ATOM 490 CA ILE A 33 3.210 -0.810 -0.442 1.00 0.00 C ATOM 491 C ILE A 33 2.312 0.364 -0.830 1.00 0.00 C ATOM 492 O ILE A 33 1.532 0.279 -1.778 1.00 0.00 O ATOM 493 CB ILE A 33 2.479 -1.700 0.594 1.00 0.00 C ATOM 494 CG1 ILE A 33 2.116 -0.911 1.855 1.00 0.00 C ATOM 495 CG2 ILE A 33 3.334 -2.910 0.947 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.333 -1.716 2.873 1.00 0.00 C ATOM 0 H ILE A 33 4.708 -0.548 1.017 1.00 0.00 H new ATOM 0 HA ILE A 33 3.414 -1.422 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 33 1.549 -2.045 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.031 -0.545 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.532 -0.036 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.808 -3.527 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.526 -3.495 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.281 -2.575 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.112 -1.092 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.400 -2.059 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.923 -2.577 3.188 1.00 0.00 H new ATOM 508 N ALA A 34 2.448 1.464 -0.101 1.00 0.00 N ATOM 509 CA ALA A 34 1.699 2.681 -0.389 1.00 0.00 C ATOM 510 C ALA A 34 2.271 3.393 -1.613 1.00 0.00 C ATOM 511 O ALA A 34 1.547 4.030 -2.375 1.00 0.00 O ATOM 512 CB ALA A 34 1.713 3.605 0.821 1.00 0.00 C ATOM 0 H ALA A 34 3.075 1.539 0.700 1.00 0.00 H new ATOM 0 HA ALA A 34 0.667 2.407 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.150 4.511 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.257 3.098 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.742 3.869 1.065 1.00 0.00 H new ATOM 518 N THR A 35 3.579 3.278 -1.794 1.00 0.00 N ATOM 519 CA THR A 35 4.255 3.897 -2.926 1.00 0.00 C ATOM 520 C THR A 35 3.930 3.157 -4.226 1.00 0.00 C ATOM 521 O THR A 35 3.894 3.755 -5.305 1.00 0.00 O ATOM 522 CB THR A 35 5.786 3.936 -2.705 1.00 0.00 C ATOM 523 OG1 THR A 35 6.082 4.609 -1.469 1.00 0.00 O ATOM 524 CG2 THR A 35 6.494 4.653 -3.850 1.00 0.00 C ATOM 0 H THR A 35 4.196 2.759 -1.169 1.00 0.00 H new ATOM 0 HA THR A 35 3.892 4.921 -3.008 1.00 0.00 H new ATOM 0 HB THR A 35 6.146 2.908 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.706 4.099 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.568 4.663 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.293 4.132 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.128 5.677 -3.919 1.00 0.00 H new ATOM 532 N ALA A 36 3.681 1.853 -4.110 1.00 0.00 N ATOM 533 CA ALA A 36 3.325 1.022 -5.258 1.00 0.00 C ATOM 534 C ALA A 36 2.109 1.578 -5.991 1.00 0.00 C ATOM 535 O ALA A 36 1.950 1.374 -7.199 1.00 0.00 O ATOM 536 CB ALA A 36 3.064 -0.409 -4.808 1.00 0.00 C ATOM 0 H ALA A 36 3.720 1.347 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 36 4.165 1.030 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.800 -1.019 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.962 -0.813 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.244 -0.421 -4.090 1.00 0.00 H new ATOM 542 N LEU A 37 1.260 2.292 -5.256 1.00 0.00 N ATOM 543 CA LEU A 37 0.080 2.917 -5.830 1.00 0.00 C ATOM 544 C LEU A 37 0.474 3.916 -6.909 1.00 0.00 C ATOM 545 O LEU A 37 -0.126 3.961 -7.983 1.00 0.00 O ATOM 546 CB LEU A 37 -0.733 3.620 -4.740 1.00 0.00 C ATOM 547 CG LEU A 37 -1.120 2.755 -3.538 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.909 3.576 -2.527 1.00 0.00 C ATOM 549 CD2 LEU A 37 -1.919 1.539 -3.986 1.00 0.00 C ATOM 0 H LEU A 37 1.372 2.451 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.533 2.138 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.160 4.475 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.645 4.014 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.207 2.402 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.177 2.947 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.300 4.411 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.816 3.958 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.184 0.937 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.828 1.867 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.318 0.941 -4.671 1.00 0.00 H new ATOM 561 N LEU A 38 1.507 4.698 -6.626 1.00 0.00 N ATOM 562 CA LEU A 38 1.975 5.711 -7.559 1.00 0.00 C ATOM 563 C LEU A 38 2.779 5.065 -8.674 1.00 0.00 C ATOM 564 O LEU A 38 2.834 5.574 -9.793 1.00 0.00 O ATOM 565 CB LEU A 38 2.858 6.750 -6.854 1.00 0.00 C ATOM 566 CG LEU A 38 2.186 7.583 -5.754 1.00 0.00 C ATOM 567 CD1 LEU A 38 2.024 6.774 -4.472 1.00 0.00 C ATOM 568 CD2 LEU A 38 2.987 8.850 -5.488 1.00 0.00 C ATOM 0 H LEU A 38 2.037 4.649 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 38 1.097 6.210 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.712 6.232 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.251 7.433 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 38 1.191 7.863 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.545 7.390 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.407 5.898 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.004 6.455 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.499 9.431 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.994 8.583 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.042 9.444 -6.400 1.00 0.00 H new ATOM 580 N LYS A 39 3.401 3.939 -8.353 1.00 0.00 N ATOM 581 CA LYS A 39 4.303 3.274 -9.277 1.00 0.00 C ATOM 582 C LYS A 39 3.556 2.722 -10.484 1.00 0.00 C ATOM 583 O LYS A 39 3.925 3.000 -11.625 1.00 0.00 O ATOM 584 CB LYS A 39 5.066 2.152 -8.569 1.00 0.00 C ATOM 585 CG LYS A 39 6.202 1.582 -9.402 1.00 0.00 C ATOM 586 CD LYS A 39 6.941 0.482 -8.661 1.00 0.00 C ATOM 587 CE LYS A 39 8.139 -0.010 -9.454 1.00 0.00 C ATOM 588 NZ LYS A 39 8.811 -1.153 -8.786 1.00 0.00 N ATOM 0 H LYS A 39 3.295 3.467 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 39 5.017 4.017 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.468 2.531 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.371 1.351 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.806 1.188 -10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.899 2.379 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.272 0.853 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.263 -0.349 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.816 -0.310 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.850 0.806 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.624 -1.460 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.141 -0.860 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.139 -1.941 -8.687 1.00 0.00 H new ATOM 602 N THR A 40 2.508 1.941 -10.246 1.00 0.00 N ATOM 603 CA THR A 40 1.798 1.314 -11.356 1.00 0.00 C ATOM 604 C THR A 40 0.399 0.825 -10.968 1.00 0.00 C ATOM 605 O THR A 40 -0.282 0.169 -11.760 1.00 0.00 O ATOM 606 CB THR A 40 2.631 0.142 -11.919 1.00 0.00 C ATOM 607 OG1 THR A 40 2.115 -0.297 -13.183 1.00 0.00 O ATOM 608 CG2 THR A 40 2.668 -1.030 -10.951 1.00 0.00 C ATOM 0 H THR A 40 2.138 1.730 -9.319 1.00 0.00 H new ATOM 0 HA THR A 40 1.665 2.078 -12.121 1.00 0.00 H new ATOM 0 HB THR A 40 3.647 0.511 -12.058 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.660 -1.039 -13.519 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.263 -1.837 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.115 -0.710 -10.010 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.653 -1.384 -10.769 1.00 0.00 H new ATOM 616 N ALA A 41 -0.047 1.161 -9.767 1.00 0.00 N ATOM 617 CA ALA A 41 -1.354 0.702 -9.300 1.00 0.00 C ATOM 618 C ALA A 41 -2.487 1.446 -10.001 1.00 0.00 C ATOM 619 O ALA A 41 -3.610 0.955 -10.068 1.00 0.00 O ATOM 620 CB ALA A 41 -1.476 0.848 -7.795 1.00 0.00 C ATOM 0 H ALA A 41 0.466 1.742 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.438 -0.355 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.458 0.499 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.703 0.254 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.355 1.896 -7.520 1.00 0.00 H new ATOM 626 N ILE A 42 -2.190 2.631 -10.520 1.00 0.00 N ATOM 627 CA ILE A 42 -3.172 3.387 -11.285 1.00 0.00 C ATOM 628 C ILE A 42 -3.271 2.794 -12.691 1.00 0.00 C ATOM 629 O ILE A 42 -2.272 2.322 -13.240 1.00 0.00 O ATOM 630 CB ILE A 42 -2.810 4.884 -11.365 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.339 5.392 -10.000 1.00 0.00 C ATOM 632 CG2 ILE A 42 -4.018 5.686 -11.826 1.00 0.00 C ATOM 633 CD1 ILE A 42 -1.894 6.840 -10.009 1.00 0.00 C ATOM 0 H ILE A 42 -1.282 3.087 -10.426 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.134 3.314 -10.777 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.001 5.009 -12.084 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.148 5.274 -9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.513 4.770 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.754 6.742 -11.880 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.331 5.339 -12.811 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.836 5.552 -11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.574 7.129 -9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.063 6.961 -10.704 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.724 7.474 -10.322 1.00 0.00 H new ATOM 645 N GLU A 43 -4.463 2.808 -13.272 1.00 0.00 N ATOM 646 CA GLU A 43 -4.707 2.057 -14.497 1.00 0.00 C ATOM 647 C GLU A 43 -4.797 2.959 -15.720 1.00 0.00 C ATOM 648 O GLU A 43 -5.081 4.150 -15.613 1.00 0.00 O ATOM 649 CB GLU A 43 -5.994 1.246 -14.371 1.00 0.00 C ATOM 650 CG GLU A 43 -5.933 -0.068 -15.117 1.00 0.00 C ATOM 651 CD GLU A 43 -4.791 -0.926 -14.626 1.00 0.00 C ATOM 652 OE1 GLU A 43 -4.923 -1.517 -13.537 1.00 0.00 O ATOM 653 OE2 GLU A 43 -3.746 -0.977 -15.307 1.00 0.00 O ATOM 0 H GLU A 43 -5.269 3.325 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.856 1.390 -14.636 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.194 1.052 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.829 1.836 -14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.874 -0.604 -14.991 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.815 0.122 -16.184 1.00 0.00 H new ATOM 660 N ILE A 44 -4.560 2.362 -16.877 1.00 0.00 N ATOM 661 CA ILE A 44 -4.693 3.050 -18.147 1.00 0.00 C ATOM 662 C ILE A 44 -5.779 2.394 -18.988 1.00 0.00 C ATOM 663 O ILE A 44 -5.666 1.231 -19.374 1.00 0.00 O ATOM 664 CB ILE A 44 -3.364 3.063 -18.940 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.349 3.996 -18.274 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.599 3.480 -20.387 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.770 5.450 -18.291 1.00 0.00 C ATOM 0 H ILE A 44 -4.270 1.388 -16.960 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.966 4.083 -17.929 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.959 2.051 -18.938 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.199 3.681 -17.241 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.389 3.897 -18.780 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.650 3.482 -20.924 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.283 2.777 -20.862 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.032 4.480 -20.412 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.006 6.056 -17.803 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.892 5.781 -19.322 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.715 5.561 -17.760 1.00 0.00 H new ATOM 679 N VAL A 45 -6.841 3.135 -19.230 1.00 0.00 N ATOM 680 CA VAL A 45 -7.884 2.700 -20.137 1.00 0.00 C ATOM 681 C VAL A 45 -7.972 3.676 -21.300 1.00 0.00 C ATOM 682 O VAL A 45 -8.249 4.853 -21.111 1.00 0.00 O ATOM 683 CB VAL A 45 -9.256 2.576 -19.429 1.00 0.00 C ATOM 684 CG1 VAL A 45 -9.293 1.333 -18.555 1.00 0.00 C ATOM 685 CG2 VAL A 45 -9.556 3.811 -18.591 1.00 0.00 C ATOM 0 H VAL A 45 -7.005 4.049 -18.807 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.626 1.707 -20.504 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.022 2.491 -20.200 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.264 1.261 -18.065 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.132 0.449 -19.172 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.509 1.396 -17.800 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.525 3.695 -18.106 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.783 3.932 -17.832 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.575 4.691 -19.234 1.00 0.00 H new ATOM 772 N HIS A 53 -6.447 6.935 -20.850 1.00 0.00 N ATOM 773 CA HIS A 53 -6.980 7.596 -19.667 1.00 0.00 C ATOM 774 C HIS A 53 -6.309 7.043 -18.427 1.00 0.00 C ATOM 775 O HIS A 53 -6.290 5.830 -18.220 1.00 0.00 O ATOM 776 CB HIS A 53 -8.494 7.395 -19.528 1.00 0.00 C ATOM 777 CG HIS A 53 -9.294 7.960 -20.650 1.00 0.00 C ATOM 778 ND1 HIS A 53 -9.676 9.278 -20.713 1.00 0.00 N ATOM 779 CD2 HIS A 53 -9.797 7.371 -21.755 1.00 0.00 C ATOM 780 CE1 HIS A 53 -10.376 9.474 -21.807 1.00 0.00 C ATOM 781 NE2 HIS A 53 -10.469 8.331 -22.460 1.00 0.00 N ATOM 0 HA HIS A 53 -6.780 8.662 -19.776 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.701 6.328 -19.451 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.825 7.852 -18.595 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.689 6.333 -22.032 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.804 10.415 -22.120 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.960 8.188 -23.343 1.00 0.00 H new ATOM 790 N ASN A 54 -5.753 7.920 -17.616 1.00 0.00 N ATOM 791 CA ASN A 54 -5.217 7.524 -16.328 1.00 0.00 C ATOM 792 C ASN A 54 -6.376 7.460 -15.341 1.00 0.00 C ATOM 793 O ASN A 54 -6.906 8.490 -14.925 1.00 0.00 O ATOM 794 CB ASN A 54 -4.162 8.530 -15.858 1.00 0.00 C ATOM 795 CG ASN A 54 -3.398 8.047 -14.646 1.00 0.00 C ATOM 796 OD1 ASN A 54 -3.167 6.853 -14.482 1.00 0.00 O ATOM 797 ND2 ASN A 54 -2.999 8.972 -13.787 1.00 0.00 N ATOM 0 H ASN A 54 -5.660 8.914 -17.826 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.733 6.550 -16.401 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.462 8.723 -16.671 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.648 9.477 -15.623 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.479 8.702 -12.952 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.211 9.954 -13.960 1.00 0.00 H new ATOM 804 N GLN A 55 -6.788 6.252 -14.999 1.00 0.00 N ATOM 805 CA GLN A 55 -8.033 6.054 -14.271 1.00 0.00 C ATOM 806 C GLN A 55 -7.763 5.677 -12.822 1.00 0.00 C ATOM 807 O GLN A 55 -7.177 4.628 -12.534 1.00 0.00 O ATOM 808 CB GLN A 55 -8.867 4.971 -14.969 1.00 0.00 C ATOM 809 CG GLN A 55 -10.376 5.146 -14.830 1.00 0.00 C ATOM 810 CD GLN A 55 -10.913 4.749 -13.469 1.00 0.00 C ATOM 811 OE1 GLN A 55 -10.986 5.565 -12.551 1.00 0.00 O ATOM 812 NE2 GLN A 55 -11.314 3.495 -13.335 1.00 0.00 N ATOM 0 H GLN A 55 -6.281 5.393 -15.212 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.593 6.989 -14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.611 4.960 -16.029 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.588 3.998 -14.564 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.631 6.188 -15.021 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.874 4.550 -15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.237 2.848 -14.120 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.700 3.175 -12.447 1.00 0.00 H new ATOM 821 N CYS A 56 -8.189 6.539 -11.913 1.00 0.00 N ATOM 822 CA CYS A 56 -8.058 6.280 -10.492 1.00 0.00 C ATOM 823 C CYS A 56 -9.282 5.522 -9.988 1.00 0.00 C ATOM 824 O CYS A 56 -10.281 6.124 -9.576 1.00 0.00 O ATOM 825 CB CYS A 56 -7.887 7.590 -9.723 1.00 0.00 C ATOM 826 SG CYS A 56 -6.436 8.549 -10.214 1.00 0.00 S ATOM 0 H CYS A 56 -8.631 7.430 -12.138 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.171 5.668 -10.326 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.778 8.201 -9.865 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.819 7.368 -8.658 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.378 9.640 -9.510 1.00 0.00 H new ATOM 832 N LYS A 57 -9.201 4.198 -10.028 1.00 0.00 N ATOM 833 CA LYS A 57 -10.331 3.339 -9.675 1.00 0.00 C ATOM 834 C LYS A 57 -10.585 3.300 -8.165 1.00 0.00 C ATOM 835 O LYS A 57 -11.390 2.506 -7.683 1.00 0.00 O ATOM 836 CB LYS A 57 -10.141 1.915 -10.229 1.00 0.00 C ATOM 837 CG LYS A 57 -8.759 1.305 -10.010 1.00 0.00 C ATOM 838 CD LYS A 57 -7.774 1.727 -11.092 1.00 0.00 C ATOM 839 CE LYS A 57 -6.427 1.033 -10.942 1.00 0.00 C ATOM 840 NZ LYS A 57 -6.475 -0.405 -11.330 1.00 0.00 N ATOM 0 H LYS A 57 -8.360 3.690 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.214 3.778 -10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.884 1.263 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.347 1.929 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.379 1.608 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.840 0.218 -9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.192 1.498 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.632 2.807 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.688 1.547 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.094 1.115 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.551 -0.845 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.208 -0.890 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.700 -0.484 -12.342 1.00 0.00 H new ATOM 854 N LEU A 58 -9.905 4.169 -7.430 1.00 0.00 N ATOM 855 CA LEU A 58 -10.138 4.317 -5.997 1.00 0.00 C ATOM 856 C LEU A 58 -10.886 5.619 -5.709 1.00 0.00 C ATOM 857 O LEU A 58 -10.934 6.085 -4.568 1.00 0.00 O ATOM 858 CB LEU A 58 -8.820 4.291 -5.214 1.00 0.00 C ATOM 859 CG LEU A 58 -8.158 2.915 -5.072 1.00 0.00 C ATOM 860 CD1 LEU A 58 -7.429 2.516 -6.347 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.207 2.902 -3.887 1.00 0.00 C ATOM 0 H LEU A 58 -9.184 4.786 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.747 3.474 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.115 4.964 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.003 4.690 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.945 2.182 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.971 1.536 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.138 2.475 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.655 3.251 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.746 1.918 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.432 3.654 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.760 3.125 -2.974 1.00 0.00 H new ATOM 873 N CYS A 59 -11.455 6.205 -6.754 1.00 0.00 N ATOM 874 CA CYS A 59 -12.225 7.442 -6.619 1.00 0.00 C ATOM 875 C CYS A 59 -13.237 7.598 -7.755 1.00 0.00 C ATOM 876 O CYS A 59 -14.267 8.259 -7.592 1.00 0.00 O ATOM 877 CB CYS A 59 -11.293 8.657 -6.590 1.00 0.00 C ATOM 878 SG CYS A 59 -12.112 10.212 -6.145 1.00 0.00 S ATOM 0 H CYS A 59 -11.400 5.846 -7.707 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.771 7.384 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.489 8.467 -5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.832 8.770 -7.571 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.368 10.151 -6.476 1.00 0.00 H new ATOM 884 N GLY A 60 -12.941 7.008 -8.909 1.00 0.00 N ATOM 885 CA GLY A 60 -13.851 7.088 -10.033 1.00 0.00 C ATOM 886 C GLY A 60 -13.613 8.335 -10.851 1.00 0.00 C ATOM 887 O GLY A 60 -14.519 9.144 -11.048 1.00 0.00 O ATOM 0 H GLY A 60 -12.088 6.477 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.728 6.208 -10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.879 7.080 -9.671 1.00 0.00 H new ATOM 891 N ALA A 61 -12.383 8.496 -11.312 1.00 0.00 N ATOM 892 CA ALA A 61 -11.997 9.667 -12.080 1.00 0.00 C ATOM 893 C ALA A 61 -10.845 9.333 -13.015 1.00 0.00 C ATOM 894 O ALA A 61 -9.875 8.688 -12.611 1.00 0.00 O ATOM 895 CB ALA A 61 -11.611 10.809 -11.151 1.00 0.00 C ATOM 0 H ALA A 61 -11.630 7.824 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.850 9.982 -12.680 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.325 11.678 -11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.460 11.065 -10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.772 10.502 -10.527 1.00 0.00 H new ATOM 901 N SER A 62 -10.961 9.763 -14.260 1.00 0.00 N ATOM 902 CA SER A 62 -9.929 9.520 -15.249 1.00 0.00 C ATOM 903 C SER A 62 -9.387 10.837 -15.796 1.00 0.00 C ATOM 904 O SER A 62 -10.081 11.858 -15.797 1.00 0.00 O ATOM 905 CB SER A 62 -10.484 8.660 -16.384 1.00 0.00 C ATOM 906 OG SER A 62 -11.616 9.271 -16.976 1.00 0.00 O ATOM 0 H SER A 62 -11.765 10.285 -14.609 1.00 0.00 H new ATOM 0 HA SER A 62 -9.108 8.986 -14.771 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.713 8.506 -17.139 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.756 7.677 -16.001 1.00 0.00 H new ATOM 0 HG SER A 62 -11.953 8.703 -17.701 1.00 0.00 H new ATOM 912 N VAL A 63 -8.141 10.814 -16.235 1.00 0.00 N ATOM 913 CA VAL A 63 -7.503 11.987 -16.809 1.00 0.00 C ATOM 914 C VAL A 63 -6.624 11.569 -17.990 1.00 0.00 C ATOM 915 O VAL A 63 -5.970 10.530 -17.932 1.00 0.00 O ATOM 916 CB VAL A 63 -6.663 12.734 -15.738 1.00 0.00 C ATOM 917 CG1 VAL A 63 -5.626 11.811 -15.121 1.00 0.00 C ATOM 918 CG2 VAL A 63 -5.999 13.975 -16.315 1.00 0.00 C ATOM 0 H VAL A 63 -7.545 9.987 -16.204 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.274 12.670 -17.166 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.347 13.057 -14.953 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.051 12.358 -14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.127 10.967 -14.647 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.956 11.445 -15.899 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.420 14.473 -15.537 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.338 13.687 -17.132 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.763 14.656 -16.690 1.00 0.00 H new ATOM 928 N PRO A 64 -6.647 12.332 -19.098 1.00 0.00 N ATOM 929 CA PRO A 64 -5.810 12.055 -20.272 1.00 0.00 C ATOM 930 C PRO A 64 -4.353 11.764 -19.908 1.00 0.00 C ATOM 931 O PRO A 64 -3.785 12.384 -19.005 1.00 0.00 O ATOM 932 CB PRO A 64 -5.915 13.343 -21.084 1.00 0.00 C ATOM 933 CG PRO A 64 -7.260 13.882 -20.747 1.00 0.00 C ATOM 934 CD PRO A 64 -7.504 13.517 -19.306 1.00 0.00 C ATOM 0 HA PRO A 64 -6.141 11.165 -20.806 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.126 14.047 -20.817 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.821 13.148 -22.152 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.294 14.962 -20.887 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.026 13.453 -21.393 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.232 14.331 -18.635 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.554 13.290 -19.122 1.00 0.00 H new ATOM 942 N TRP A 65 -3.758 10.808 -20.610 1.00 0.00 N ATOM 943 CA TRP A 65 -2.384 10.407 -20.348 1.00 0.00 C ATOM 944 C TRP A 65 -1.421 11.525 -20.754 1.00 0.00 C ATOM 945 O TRP A 65 -1.798 12.420 -21.511 1.00 0.00 O ATOM 946 CB TRP A 65 -2.077 9.105 -21.098 1.00 0.00 C ATOM 947 CG TRP A 65 -0.860 8.376 -20.606 1.00 0.00 C ATOM 948 CD1 TRP A 65 0.081 7.753 -21.375 1.00 0.00 C ATOM 949 CD2 TRP A 65 -0.454 8.184 -19.242 1.00 0.00 C ATOM 950 NE1 TRP A 65 1.042 7.184 -20.577 1.00 0.00 N ATOM 951 CE2 TRP A 65 0.739 7.436 -19.266 1.00 0.00 C ATOM 952 CE3 TRP A 65 -0.976 8.572 -18.002 1.00 0.00 C ATOM 953 CZ2 TRP A 65 1.411 7.066 -18.106 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -0.306 8.203 -16.850 1.00 0.00 C ATOM 955 CH2 TRP A 65 0.877 7.458 -16.910 1.00 0.00 C ATOM 0 H TRP A 65 -4.209 10.295 -21.368 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.253 10.228 -19.281 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -2.939 8.443 -21.018 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -1.946 9.332 -22.156 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.071 7.714 -22.454 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.851 6.658 -20.907 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.887 9.150 -17.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 2.323 6.489 -18.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.702 8.494 -15.888 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.379 7.187 -15.993 1.00 0.00 H new ATOM 966 N LEU A 66 -0.195 11.476 -20.222 1.00 0.00 N ATOM 967 CA LEU A 66 0.822 12.519 -20.435 1.00 0.00 C ATOM 968 C LEU A 66 0.506 13.781 -19.632 1.00 0.00 C ATOM 969 O LEU A 66 1.380 14.617 -19.407 1.00 0.00 O ATOM 970 CB LEU A 66 1.000 12.877 -21.923 1.00 0.00 C ATOM 971 CG LEU A 66 1.821 11.890 -22.764 1.00 0.00 C ATOM 972 CD1 LEU A 66 3.133 11.553 -22.072 1.00 0.00 C ATOM 973 CD2 LEU A 66 1.029 10.628 -23.065 1.00 0.00 C ATOM 0 H LEU A 66 0.124 10.710 -19.629 1.00 0.00 H new ATOM 0 HA LEU A 66 1.763 12.099 -20.079 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.012 12.971 -22.373 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.474 13.857 -21.985 1.00 0.00 H new ATOM 0 HG LEU A 66 2.049 12.373 -23.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.699 10.852 -22.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.715 12.464 -21.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.927 11.101 -21.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.638 9.950 -23.662 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.753 10.140 -22.130 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.127 10.888 -23.619 1.00 0.00 H new ATOM 985 N GLN A 67 -0.738 13.909 -19.191 1.00 0.00 N ATOM 986 CA GLN A 67 -1.161 15.049 -18.384 1.00 0.00 C ATOM 987 C GLN A 67 -0.786 14.828 -16.913 1.00 0.00 C ATOM 988 O GLN A 67 -1.099 15.647 -16.044 1.00 0.00 O ATOM 989 CB GLN A 67 -2.672 15.257 -18.543 1.00 0.00 C ATOM 990 CG GLN A 67 -3.193 16.557 -17.951 1.00 0.00 C ATOM 991 CD GLN A 67 -4.666 16.775 -18.237 1.00 0.00 C ATOM 992 OE1 GLN A 67 -5.185 16.340 -19.264 1.00 0.00 O ATOM 993 NE2 GLN A 67 -5.344 17.459 -17.335 1.00 0.00 N ATOM 0 H GLN A 67 -1.478 13.233 -19.380 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.648 15.947 -18.728 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.920 15.230 -19.604 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.193 14.423 -18.072 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.032 16.552 -16.873 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.620 17.392 -18.355 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.875 17.802 -16.497 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.337 17.645 -17.476 1.00 0.00 H new ATOM 1002 N THR A 68 -0.115 13.704 -16.651 1.00 0.00 N ATOM 1003 CA THR A 68 0.388 13.361 -15.319 1.00 0.00 C ATOM 1004 C THR A 68 -0.739 12.930 -14.372 1.00 0.00 C ATOM 1005 O THR A 68 -0.685 11.851 -13.780 1.00 0.00 O ATOM 1006 CB THR A 68 1.182 14.533 -14.695 1.00 0.00 C ATOM 1007 OG1 THR A 68 2.266 14.901 -15.563 1.00 0.00 O ATOM 1008 CG2 THR A 68 1.731 14.163 -13.322 1.00 0.00 C ATOM 0 H THR A 68 0.096 13.003 -17.361 1.00 0.00 H new ATOM 0 HA THR A 68 1.061 12.514 -15.452 1.00 0.00 H new ATOM 0 HB THR A 68 0.501 15.375 -14.574 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.765 15.645 -15.165 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.284 15.008 -12.911 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.906 13.911 -12.656 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.397 13.305 -13.416 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.759 13.765 -14.247 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.853 13.473 -13.348 1.00 0.00 C ATOM 1018 C GLY A 69 -3.719 14.689 -13.109 1.00 0.00 C ATOM 1019 O GLY A 69 -4.899 14.560 -12.776 1.00 0.00 O ATOM 0 H GLY A 69 -1.848 14.645 -14.756 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.461 12.669 -13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.458 13.115 -12.397 1.00 0.00 H new ATOM 1091 N HIS A 74 -10.694 14.673 -5.569 1.00 0.00 N ATOM 1092 CA HIS A 74 -10.693 13.310 -5.077 1.00 0.00 C ATOM 1093 C HIS A 74 -11.403 13.226 -3.731 1.00 0.00 C ATOM 1094 O HIS A 74 -11.368 14.176 -2.951 1.00 0.00 O ATOM 1095 CB HIS A 74 -9.222 12.865 -4.962 1.00 0.00 C ATOM 1096 CG HIS A 74 -8.973 11.628 -4.156 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -8.283 11.640 -2.964 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -9.281 10.335 -4.396 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -8.175 10.408 -2.509 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -8.776 9.591 -3.359 1.00 0.00 N ATOM 0 HA HIS A 74 -11.231 12.652 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.832 12.705 -5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.649 13.682 -4.524 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.913 12.473 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -9.825 9.956 -5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.679 10.114 -1.596 1.00 0.00 H new ATOM 1109 N ALA A 75 -12.077 12.104 -3.483 1.00 0.00 N ATOM 1110 CA ALA A 75 -12.588 11.803 -2.150 1.00 0.00 C ATOM 1111 C ALA A 75 -11.399 11.622 -1.218 1.00 0.00 C ATOM 1112 O ALA A 75 -10.771 10.566 -1.196 1.00 0.00 O ATOM 1113 CB ALA A 75 -13.464 10.559 -2.177 1.00 0.00 C ATOM 0 H ALA A 75 -12.280 11.393 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.212 12.622 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.834 10.353 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.307 10.722 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.879 9.710 -2.529 1.00 0.00 H new ATOM 1119 N ASP A 76 -11.088 12.667 -0.474 1.00 0.00 N ATOM 1120 CA ASP A 76 -9.769 12.813 0.136 1.00 0.00 C ATOM 1121 C ASP A 76 -9.553 11.889 1.333 1.00 0.00 C ATOM 1122 O ASP A 76 -8.422 11.698 1.769 1.00 0.00 O ATOM 1123 CB ASP A 76 -9.544 14.268 0.536 1.00 0.00 C ATOM 1124 CG ASP A 76 -8.076 14.641 0.536 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -7.406 14.441 -0.504 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -7.580 15.149 1.561 1.00 0.00 O ATOM 0 H ASP A 76 -11.731 13.433 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.036 12.516 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.083 14.920 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.960 14.439 1.529 1.00 0.00 H new ATOM 1131 N ASP A 77 -10.614 11.296 1.858 1.00 0.00 N ATOM 1132 CA ASP A 77 -10.463 10.399 2.999 1.00 0.00 C ATOM 1133 C ASP A 77 -10.218 8.963 2.540 1.00 0.00 C ATOM 1134 O ASP A 77 -10.004 8.068 3.357 1.00 0.00 O ATOM 1135 CB ASP A 77 -11.679 10.455 3.929 1.00 0.00 C ATOM 1136 CG ASP A 77 -12.893 9.757 3.365 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -13.643 10.392 2.598 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -13.107 8.568 3.694 1.00 0.00 O ATOM 0 H ASP A 77 -11.570 11.414 1.523 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.593 10.740 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.418 10.001 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.928 11.497 4.129 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.245 8.745 1.229 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.918 7.435 0.664 1.00 0.00 C ATOM 1145 C CYS A 78 -8.507 6.999 1.076 1.00 0.00 C ATOM 1146 O CYS A 78 -7.640 7.841 1.332 1.00 0.00 O ATOM 1147 CB CYS A 78 -10.025 7.457 -0.862 1.00 0.00 C ATOM 1148 SG CYS A 78 -11.711 7.623 -1.485 1.00 0.00 S ATOM 0 H CYS A 78 -10.489 9.454 0.538 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.638 6.717 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -9.426 8.283 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.592 6.538 -1.258 1.00 0.00 H new ATOM 0 HG CYS A 78 -11.787 7.105 -2.675 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.254 5.673 1.118 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.981 5.101 1.591 1.00 0.00 C ATOM 1156 C PRO A 79 -5.749 5.656 0.870 1.00 0.00 C ATOM 1157 O PRO A 79 -4.635 5.557 1.373 1.00 0.00 O ATOM 1158 CB PRO A 79 -7.126 3.598 1.315 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.290 3.472 0.389 1.00 0.00 C ATOM 1160 CD PRO A 79 -9.198 4.617 0.715 1.00 0.00 C ATOM 0 HA PRO A 79 -6.815 5.348 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.220 3.193 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.297 3.044 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.968 3.513 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.799 2.518 0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.797 4.916 -0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.893 4.367 1.517 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.956 6.246 -0.300 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.860 6.817 -1.072 1.00 0.00 C ATOM 1170 C VAL A 80 -4.140 7.912 -0.280 1.00 0.00 C ATOM 1171 O VAL A 80 -2.914 7.929 -0.201 1.00 0.00 O ATOM 1172 CB VAL A 80 -5.361 7.414 -2.405 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.198 7.920 -3.248 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.177 6.389 -3.174 1.00 0.00 C ATOM 0 H VAL A 80 -6.873 6.342 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.165 6.004 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.004 8.264 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.579 8.335 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.660 8.693 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.521 7.094 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.522 6.827 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.558 5.517 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.037 6.086 -2.577 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.913 8.812 0.317 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.348 9.960 1.022 1.00 0.00 C ATOM 1186 C VAL A 81 -3.734 9.556 2.363 1.00 0.00 C ATOM 1187 O VAL A 81 -2.670 10.052 2.736 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.401 11.067 1.232 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -4.837 12.225 2.040 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -5.900 11.562 -0.113 1.00 0.00 C ATOM 0 H VAL A 81 -5.932 8.770 0.328 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.553 10.356 0.390 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.232 10.643 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.606 12.987 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.516 11.864 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.985 12.655 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.644 12.344 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.064 11.963 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.351 10.735 -0.661 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.384 8.647 3.080 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.855 8.193 4.361 1.00 0.00 C ATOM 1202 C ILE A 82 -2.545 7.436 4.144 1.00 0.00 C ATOM 1203 O ILE A 82 -1.613 7.539 4.939 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.874 7.313 5.133 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -4.413 7.079 6.572 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -5.103 5.980 4.444 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -4.338 8.345 7.396 1.00 0.00 C ATOM 0 H ILE A 82 -5.265 8.215 2.802 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.665 9.074 4.974 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.819 7.856 5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.097 6.381 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.431 6.606 6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.822 5.394 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.491 6.151 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.160 5.436 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.004 8.103 8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.632 9.037 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.323 8.809 7.441 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.478 6.698 3.044 1.00 0.00 N ATOM 1220 CA ALA A 83 -1.247 6.030 2.640 1.00 0.00 C ATOM 1221 C ALA A 83 -0.181 7.059 2.285 1.00 0.00 C ATOM 1222 O ALA A 83 0.994 6.892 2.616 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.502 5.103 1.462 1.00 0.00 C ATOM 0 H ALA A 83 -3.265 6.546 2.413 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.889 5.430 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.571 4.614 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.236 4.349 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.882 5.681 0.620 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.606 8.129 1.614 1.00 0.00 N ATOM 1230 CA LYS A 84 0.284 9.231 1.264 1.00 0.00 C ATOM 1231 C LYS A 84 0.928 9.817 2.512 1.00 0.00 C ATOM 1232 O LYS A 84 2.116 10.121 2.517 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.482 10.329 0.518 1.00 0.00 C ATOM 1234 CG LYS A 84 -0.066 10.503 -0.935 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.437 9.293 -1.778 1.00 0.00 C ATOM 1236 CE LYS A 84 -0.001 9.464 -3.225 1.00 0.00 C ATOM 1237 NZ LYS A 84 -0.670 10.618 -3.885 1.00 0.00 N ATOM 0 H LYS A 84 -1.569 8.254 1.301 1.00 0.00 H new ATOM 0 HA LYS A 84 1.064 8.837 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.547 10.102 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.340 11.275 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.544 11.392 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.010 10.666 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.029 8.401 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.515 9.138 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.079 9.604 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.224 8.552 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.489 10.585 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.695 10.570 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.294 11.506 -3.495 1.00 0.00 H new ATOM 1251 N GLN A 85 0.136 9.970 3.566 1.00 0.00 N ATOM 1252 CA GLN A 85 0.627 10.501 4.830 1.00 0.00 C ATOM 1253 C GLN A 85 1.685 9.575 5.427 1.00 0.00 C ATOM 1254 O GLN A 85 2.727 10.031 5.897 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.536 10.690 5.808 1.00 0.00 C ATOM 1256 CG GLN A 85 -0.133 11.332 7.123 1.00 0.00 C ATOM 1257 CD GLN A 85 -1.320 11.561 8.040 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -1.672 10.699 8.842 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -1.946 12.722 7.927 1.00 0.00 N ATOM 0 H GLN A 85 -0.856 9.732 3.569 1.00 0.00 H new ATOM 0 HA GLN A 85 1.089 11.471 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.301 11.305 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.988 9.719 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.595 10.696 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.359 12.284 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.623 13.412 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.752 12.927 8.518 1.00 0.00 H new ATOM 1268 N ILE A 86 1.421 8.274 5.377 1.00 0.00 N ATOM 1269 CA ILE A 86 2.352 7.280 5.902 1.00 0.00 C ATOM 1270 C ILE A 86 3.681 7.320 5.147 1.00 0.00 C ATOM 1271 O ILE A 86 4.755 7.282 5.752 1.00 0.00 O ATOM 1272 CB ILE A 86 1.753 5.858 5.822 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.453 5.788 6.627 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.750 4.818 6.322 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.242 4.445 6.546 1.00 0.00 C ATOM 0 H ILE A 86 0.568 7.882 4.978 1.00 0.00 H new ATOM 0 HA ILE A 86 2.533 7.526 6.948 1.00 0.00 H new ATOM 0 HB ILE A 86 1.531 5.636 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.670 6.012 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.227 6.561 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.304 3.825 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.651 4.853 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.008 5.031 7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.155 4.471 7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.492 4.227 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.420 3.669 6.931 1.00 0.00 H new ATOM 1287 N LEU A 87 3.608 7.416 3.822 1.00 0.00 N ATOM 1288 CA LEU A 87 4.811 7.435 2.998 1.00 0.00 C ATOM 1289 C LEU A 87 5.443 8.825 2.985 1.00 0.00 C ATOM 1290 O LEU A 87 6.537 9.016 2.452 1.00 0.00 O ATOM 1291 CB LEU A 87 4.504 6.945 1.570 1.00 0.00 C ATOM 1292 CG LEU A 87 3.491 7.765 0.757 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.143 8.988 0.127 1.00 0.00 C ATOM 1294 CD2 LEU A 87 2.851 6.897 -0.314 1.00 0.00 C ATOM 0 H LEU A 87 2.734 7.481 3.300 1.00 0.00 H new ATOM 0 HA LEU A 87 5.535 6.748 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.441 6.914 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.138 5.920 1.634 1.00 0.00 H new ATOM 0 HG LEU A 87 2.718 8.115 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.398 9.545 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.554 9.625 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.944 8.670 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.135 7.490 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.623 6.518 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.336 6.059 0.156 1.00 0.00 H new ATOM 1306 N SER A 88 4.762 9.786 3.593 1.00 0.00 N ATOM 1307 CA SER A 88 5.254 11.154 3.653 1.00 0.00 C ATOM 1308 C SER A 88 6.034 11.395 4.944 1.00 0.00 C ATOM 1309 O SER A 88 6.308 12.543 5.300 1.00 0.00 O ATOM 1310 CB SER A 88 4.091 12.149 3.541 1.00 0.00 C ATOM 1311 OG SER A 88 4.560 13.488 3.508 1.00 0.00 O ATOM 0 H SER A 88 3.863 9.642 4.053 1.00 0.00 H new ATOM 0 HA SER A 88 5.928 11.308 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.516 11.940 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.415 12.019 4.386 1.00 0.00 H new ATOM 0 HG SER A 88 5.307 13.589 4.134 1.00 0.00 H new ATOM 1317 N SER A 89 6.394 10.313 5.635 1.00 0.00 N ATOM 1318 CA SER A 89 7.214 10.416 6.836 1.00 0.00 C ATOM 1319 C SER A 89 8.476 11.219 6.525 1.00 0.00 C ATOM 1320 O SER A 89 9.117 11.012 5.483 1.00 0.00 O ATOM 1321 CB SER A 89 7.566 9.023 7.375 1.00 0.00 C ATOM 1322 OG SER A 89 8.166 9.103 8.660 1.00 0.00 O ATOM 0 H SER A 89 6.131 9.360 5.383 1.00 0.00 H new ATOM 0 HA SER A 89 6.649 10.935 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.664 8.413 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.246 8.525 6.684 1.00 0.00 H new ATOM 0 HG SER A 89 8.378 8.201 8.979 1.00 0.00 H new ATOM 1328 N ARG A 90 8.814 12.124 7.435 1.00 0.00 N ATOM 1329 CA ARG A 90 9.819 13.155 7.196 1.00 0.00 C ATOM 1330 C ARG A 90 9.386 14.059 6.044 1.00 0.00 C ATOM 1331 O ARG A 90 9.848 13.918 4.907 1.00 0.00 O ATOM 1332 CB ARG A 90 11.208 12.565 6.924 1.00 0.00 C ATOM 1333 CG ARG A 90 11.904 12.016 8.158 1.00 0.00 C ATOM 1334 CD ARG A 90 13.342 11.640 7.849 1.00 0.00 C ATOM 1335 NE ARG A 90 14.067 11.188 9.037 1.00 0.00 N ATOM 1336 CZ ARG A 90 15.391 11.044 9.087 1.00 0.00 C ATOM 1337 NH1 ARG A 90 16.132 11.376 8.036 1.00 0.00 N ATOM 1338 NH2 ARG A 90 15.974 10.580 10.188 1.00 0.00 N ATOM 0 H ARG A 90 8.397 12.164 8.365 1.00 0.00 H new ATOM 0 HA ARG A 90 9.898 13.747 8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.113 11.766 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.837 13.336 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.882 12.760 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.366 11.142 8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.355 10.851 7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.855 12.500 7.418 1.00 0.00 H new ATOM 0 HE ARG A 90 13.528 10.971 9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.688 11.740 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.146 11.267 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.408 10.332 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.988 10.472 10.221 1.00 0.00 H new ATOM 1710 N TYR B 18 6.029 8.017 15.261 1.00 0.00 N ATOM 1711 CA TYR B 18 5.659 7.262 14.078 1.00 0.00 C ATOM 1712 C TYR B 18 6.751 6.266 13.734 1.00 0.00 C ATOM 1713 O TYR B 18 7.913 6.638 13.551 1.00 0.00 O ATOM 1714 CB TYR B 18 5.405 8.205 12.907 1.00 0.00 C ATOM 1715 CG TYR B 18 4.139 7.905 12.132 1.00 0.00 C ATOM 1716 CD1 TYR B 18 2.892 8.097 12.713 1.00 0.00 C ATOM 1717 CD2 TYR B 18 4.186 7.446 10.821 1.00 0.00 C ATOM 1718 CE1 TYR B 18 1.729 7.845 12.011 1.00 0.00 C ATOM 1719 CE2 TYR B 18 3.026 7.190 10.112 1.00 0.00 C ATOM 1720 CZ TYR B 18 1.800 7.388 10.713 1.00 0.00 C ATOM 1721 OH TYR B 18 0.641 7.140 10.008 1.00 0.00 O ATOM 0 HA TYR B 18 4.740 6.713 14.282 1.00 0.00 H new ATOM 0 HB2 TYR B 18 5.354 9.227 13.282 1.00 0.00 H new ATOM 0 HB3 TYR B 18 6.255 8.157 12.226 1.00 0.00 H new ATOM 0 HD1 TYR B 18 2.830 8.450 13.732 1.00 0.00 H new ATOM 0 HD2 TYR B 18 5.144 7.287 10.348 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.768 8.006 12.478 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.080 6.837 9.093 1.00 0.00 H new ATOM 0 HH TYR B 18 0.616 7.708 9.209 1.00 0.00 H new ATOM 1731 N PHE B 19 6.351 5.005 13.655 1.00 0.00 N ATOM 1732 CA PHE B 19 7.262 3.879 13.438 1.00 0.00 C ATOM 1733 C PHE B 19 8.115 3.628 14.682 1.00 0.00 C ATOM 1734 O PHE B 19 8.208 4.484 15.562 1.00 0.00 O ATOM 1735 CB PHE B 19 8.131 4.079 12.188 1.00 0.00 C ATOM 1736 CG PHE B 19 7.330 4.118 10.918 1.00 0.00 C ATOM 1737 CD1 PHE B 19 6.556 3.031 10.540 1.00 0.00 C ATOM 1738 CD2 PHE B 19 7.342 5.242 10.107 1.00 0.00 C ATOM 1739 CE1 PHE B 19 5.808 3.064 9.377 1.00 0.00 C ATOM 1740 CE2 PHE B 19 6.599 5.282 8.942 1.00 0.00 C ATOM 1741 CZ PHE B 19 5.830 4.191 8.577 1.00 0.00 C ATOM 0 H PHE B 19 5.373 4.727 13.740 1.00 0.00 H new ATOM 0 HA PHE B 19 6.656 2.991 13.260 1.00 0.00 H new ATOM 0 HB2 PHE B 19 8.691 5.009 12.287 1.00 0.00 H new ATOM 0 HB3 PHE B 19 8.861 3.272 12.126 1.00 0.00 H new ATOM 0 HD1 PHE B 19 6.537 2.148 11.161 1.00 0.00 H new ATOM 0 HD2 PHE B 19 7.939 6.097 10.389 1.00 0.00 H new ATOM 0 HE1 PHE B 19 5.208 2.211 9.095 1.00 0.00 H new ATOM 0 HE2 PHE B 19 6.619 6.163 8.318 1.00 0.00 H new ATOM 0 HZ PHE B 19 5.248 4.220 7.668 1.00 0.00 H new ATOM 1751 N GLN B 20 8.727 2.440 14.754 1.00 0.00 N ATOM 1752 CA GLN B 20 9.331 1.941 15.984 1.00 0.00 C ATOM 1753 C GLN B 20 8.263 1.779 17.065 1.00 0.00 C ATOM 1754 O GLN B 20 8.563 1.651 18.254 1.00 0.00 O ATOM 1755 CB GLN B 20 10.452 2.850 16.475 1.00 0.00 C ATOM 1756 CG GLN B 20 11.648 2.922 15.543 1.00 0.00 C ATOM 1757 CD GLN B 20 12.860 3.553 16.203 1.00 0.00 C ATOM 1758 OE1 GLN B 20 13.688 4.177 15.543 1.00 0.00 O ATOM 1759 NE2 GLN B 20 12.974 3.387 17.512 1.00 0.00 N ATOM 0 H GLN B 20 8.815 1.804 13.962 1.00 0.00 H new ATOM 0 HA GLN B 20 9.772 0.968 15.767 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.054 3.855 16.616 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.787 2.500 17.451 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.903 1.917 15.206 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.380 3.497 14.657 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.264 2.862 18.023 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.771 3.784 18.009 1.00 0.00 H new ATOM 1768 N GLY B 21 7.018 1.766 16.617 1.00 0.00 N ATOM 1769 CA GLY B 21 5.883 1.633 17.497 1.00 0.00 C ATOM 1770 C GLY B 21 4.613 2.021 16.777 1.00 0.00 C ATOM 1771 O GLY B 21 4.649 2.846 15.863 1.00 0.00 O ATOM 0 H GLY B 21 6.772 1.848 15.630 1.00 0.00 H new ATOM 0 HA2 GLY B 21 5.808 0.605 17.852 1.00 0.00 H new ATOM 0 HA3 GLY B 21 6.019 2.265 18.375 1.00 0.00 H new ATOM 1775 N MET B 22 3.503 1.412 17.152 1.00 0.00 N ATOM 1776 CA MET B 22 2.219 1.709 16.530 1.00 0.00 C ATOM 1777 C MET B 22 1.089 1.496 17.514 1.00 0.00 C ATOM 1778 O MET B 22 1.241 0.766 18.495 1.00 0.00 O ATOM 1779 CB MET B 22 1.991 0.849 15.287 1.00 0.00 C ATOM 1780 CG MET B 22 2.495 1.487 14.003 1.00 0.00 C ATOM 1781 SD MET B 22 1.648 3.036 13.629 1.00 0.00 S ATOM 1782 CE MET B 22 2.386 3.465 12.055 1.00 0.00 C ATOM 0 H MET B 22 3.462 0.706 17.887 1.00 0.00 H new ATOM 0 HA MET B 22 2.236 2.756 16.226 1.00 0.00 H new ATOM 0 HB2 MET B 22 2.487 -0.112 15.424 1.00 0.00 H new ATOM 0 HB3 MET B 22 0.925 0.645 15.187 1.00 0.00 H new ATOM 0 HG2 MET B 22 3.566 1.672 14.088 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.357 0.791 13.176 1.00 0.00 H new ATOM 0 HE1 MET B 22 1.960 4.402 11.697 1.00 0.00 H new ATOM 0 HE2 MET B 22 3.463 3.579 12.177 1.00 0.00 H new ATOM 0 HE3 MET B 22 2.184 2.675 11.331 1.00 0.00 H new ATOM 1792 N THR B 23 -0.033 2.141 17.253 1.00 0.00 N ATOM 1793 CA THR B 23 -1.193 2.041 18.115 1.00 0.00 C ATOM 1794 C THR B 23 -2.217 1.043 17.569 1.00 0.00 C ATOM 1795 O THR B 23 -2.094 0.557 16.442 1.00 0.00 O ATOM 1796 CB THR B 23 -1.844 3.423 18.310 1.00 0.00 C ATOM 1797 OG1 THR B 23 -1.788 4.168 17.084 1.00 0.00 O ATOM 1798 CG2 THR B 23 -1.142 4.201 19.413 1.00 0.00 C ATOM 0 H THR B 23 -0.164 2.745 16.442 1.00 0.00 H new ATOM 0 HA THR B 23 -0.852 1.672 19.082 1.00 0.00 H new ATOM 0 HB THR B 23 -2.885 3.273 18.598 1.00 0.00 H new ATOM 0 HG1 THR B 23 -2.205 5.045 17.215 1.00 0.00 H new ATOM 0 HG21 THR B 23 -1.619 5.174 19.533 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.209 3.646 20.349 1.00 0.00 H new ATOM 0 HG23 THR B 23 -0.094 4.341 19.149 1.00 0.00 H new ATOM 1806 N ASP B 24 -3.223 0.748 18.381 1.00 0.00 N ATOM 1807 CA ASP B 24 -4.247 -0.237 18.044 1.00 0.00 C ATOM 1808 C ASP B 24 -5.054 0.175 16.812 1.00 0.00 C ATOM 1809 O ASP B 24 -5.354 -0.652 15.948 1.00 0.00 O ATOM 1810 CB ASP B 24 -5.175 -0.425 19.244 1.00 0.00 C ATOM 1811 CG ASP B 24 -6.339 -1.351 18.960 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -6.145 -2.582 18.986 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -7.463 -0.851 18.744 1.00 0.00 O ATOM 0 H ASP B 24 -3.354 1.184 19.294 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.751 -1.177 17.803 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.600 -0.821 20.081 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.560 0.547 19.553 1.00 0.00 H new ATOM 1818 N THR B 25 -5.387 1.454 16.726 1.00 0.00 N ATOM 1819 CA THR B 25 -6.207 1.965 15.633 1.00 0.00 C ATOM 1820 C THR B 25 -5.455 1.928 14.298 1.00 0.00 C ATOM 1821 O THR B 25 -6.063 1.781 13.237 1.00 0.00 O ATOM 1822 CB THR B 25 -6.655 3.409 15.932 1.00 0.00 C ATOM 1823 OG1 THR B 25 -7.159 3.486 17.274 1.00 0.00 O ATOM 1824 CG2 THR B 25 -7.734 3.868 14.959 1.00 0.00 C ATOM 0 H THR B 25 -5.101 2.162 17.403 1.00 0.00 H new ATOM 0 HA THR B 25 -7.081 1.320 15.550 1.00 0.00 H new ATOM 0 HB THR B 25 -5.791 4.063 15.817 1.00 0.00 H new ATOM 0 HG1 THR B 25 -7.442 4.405 17.465 1.00 0.00 H new ATOM 0 HG21 THR B 25 -8.028 4.890 15.197 1.00 0.00 H new ATOM 0 HG22 THR B 25 -7.346 3.830 13.941 1.00 0.00 H new ATOM 0 HG23 THR B 25 -8.601 3.213 15.042 1.00 0.00 H new ATOM 1832 N ALA B 26 -4.128 2.017 14.368 1.00 0.00 N ATOM 1833 CA ALA B 26 -3.284 2.075 13.175 1.00 0.00 C ATOM 1834 C ALA B 26 -3.422 0.814 12.329 1.00 0.00 C ATOM 1835 O ALA B 26 -3.196 0.840 11.118 1.00 0.00 O ATOM 1836 CB ALA B 26 -1.830 2.284 13.570 1.00 0.00 C ATOM 0 H ALA B 26 -3.610 2.051 15.246 1.00 0.00 H new ATOM 0 HA ALA B 26 -3.618 2.920 12.572 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.212 2.325 12.673 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.733 3.220 14.121 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.501 1.457 14.199 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.802 -0.284 12.971 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.964 -1.554 12.283 1.00 0.00 C ATOM 1844 C ALA B 27 -5.040 -1.463 11.207 1.00 0.00 C ATOM 1845 O ALA B 27 -4.903 -2.043 10.130 1.00 0.00 O ATOM 1846 CB ALA B 27 -4.302 -2.653 13.274 1.00 0.00 C ATOM 0 H ALA B 27 -4.004 -0.318 13.970 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.019 -1.796 11.797 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -4.420 -3.598 12.743 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -3.498 -2.745 14.004 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -5.231 -2.407 13.788 1.00 0.00 H new ATOM 1852 N GLU B 28 -6.095 -0.710 11.499 1.00 0.00 N ATOM 1853 CA GLU B 28 -7.233 -0.593 10.599 1.00 0.00 C ATOM 1854 C GLU B 28 -6.847 0.161 9.328 1.00 0.00 C ATOM 1855 O GLU B 28 -7.182 -0.259 8.218 1.00 0.00 O ATOM 1856 CB GLU B 28 -8.385 0.124 11.308 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.689 0.126 10.526 1.00 0.00 C ATOM 1858 CD GLU B 28 -10.290 -1.256 10.382 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -11.087 -1.656 11.254 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -9.989 -1.944 9.386 1.00 0.00 O ATOM 0 H GLU B 28 -6.184 -0.169 12.359 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.554 -1.595 10.316 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.554 -0.350 12.275 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.091 1.155 11.506 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.405 0.778 11.025 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.512 0.545 9.535 1.00 0.00 H new ATOM 1867 N ASP B 29 -6.123 1.259 9.494 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.738 2.102 8.366 1.00 0.00 C ATOM 1869 C ASP B 29 -4.764 1.374 7.442 1.00 0.00 C ATOM 1870 O ASP B 29 -4.890 1.441 6.217 1.00 0.00 O ATOM 1871 CB ASP B 29 -5.107 3.414 8.856 1.00 0.00 C ATOM 1872 CG ASP B 29 -6.048 4.242 9.714 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -6.847 5.032 9.161 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -5.981 4.123 10.955 1.00 0.00 O ATOM 0 H ASP B 29 -5.789 1.589 10.400 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.643 2.333 7.805 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.208 3.186 9.429 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.795 4.005 7.995 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.805 0.662 8.024 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.783 -0.015 7.233 1.00 0.00 C ATOM 1881 C VAL B 30 -3.346 -1.237 6.499 1.00 0.00 C ATOM 1882 O VAL B 30 -2.988 -1.492 5.350 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.564 -0.419 8.094 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.537 -1.191 7.273 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.927 0.816 8.709 1.00 0.00 C ATOM 0 H VAL B 30 -3.714 0.539 9.032 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.446 0.702 6.485 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.915 -1.074 8.891 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.308 -1.460 7.907 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -0.995 -2.096 6.875 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.188 -0.569 6.449 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.069 0.520 9.313 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.598 1.489 7.917 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.656 1.326 9.339 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.240 -1.987 7.141 1.00 0.00 N ATOM 1896 CA ARG B 31 -4.871 -3.122 6.467 1.00 0.00 C ATOM 1897 C ARG B 31 -5.760 -2.619 5.328 1.00 0.00 C ATOM 1898 O ARG B 31 -5.939 -3.300 4.321 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.661 -4.016 7.453 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.850 -3.349 8.134 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.089 -3.329 7.249 1.00 0.00 C ATOM 1902 NE ARG B 31 -9.016 -4.417 7.548 1.00 0.00 N ATOM 1903 CZ ARG B 31 -9.677 -5.111 6.623 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -9.430 -4.912 5.331 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -10.585 -6.008 6.993 1.00 0.00 N ATOM 0 H ARG B 31 -4.539 -1.836 8.104 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.085 -3.749 6.046 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -6.018 -4.894 6.914 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -4.976 -4.372 8.223 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.077 -3.876 9.061 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -6.584 -2.327 8.405 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -8.603 -2.376 7.373 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -7.785 -3.394 6.204 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.167 -4.661 8.527 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -8.732 -4.226 5.045 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -9.939 -5.446 4.626 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -10.774 -6.164 7.983 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -11.093 -6.541 6.287 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.305 -1.412 5.496 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.164 -0.803 4.484 1.00 0.00 C ATOM 1921 C LYS B 32 -6.381 -0.522 3.207 1.00 0.00 C ATOM 1922 O LYS B 32 -6.803 -0.908 2.117 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.787 0.496 5.013 1.00 0.00 C ATOM 1924 CG LYS B 32 -9.303 0.447 5.172 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.734 -0.640 6.141 1.00 0.00 C ATOM 1926 CE LYS B 32 -11.221 -0.568 6.443 1.00 0.00 C ATOM 1927 NZ LYS B 32 -11.654 -1.665 7.349 1.00 0.00 N ATOM 0 H LYS B 32 -6.165 -0.837 6.327 1.00 0.00 H new ATOM 0 HA LYS B 32 -7.963 -1.508 4.255 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -7.340 0.732 5.979 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -7.531 1.310 4.335 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.663 1.413 5.526 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.765 0.272 4.200 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.495 -1.617 5.721 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.170 -0.545 7.069 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.453 0.394 6.900 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.784 -0.622 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -12.378 -1.308 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.051 -2.444 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.836 -2.011 7.891 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.232 0.137 3.344 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.408 0.474 2.186 1.00 0.00 C ATOM 1943 C ILE B 33 -3.827 -0.782 1.545 1.00 0.00 C ATOM 1944 O ILE B 33 -3.654 -0.845 0.329 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.266 1.452 2.546 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.294 0.830 3.556 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.845 2.750 3.095 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -1.096 1.701 3.872 1.00 0.00 C ATOM 0 H ILE B 33 -4.853 0.446 4.239 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.064 0.972 1.471 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.705 1.667 1.637 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.832 0.620 4.481 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -1.943 -0.126 3.167 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -3.033 3.433 3.346 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.486 3.209 2.343 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.430 2.538 3.990 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.456 1.192 4.593 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.533 1.891 2.958 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.435 2.648 4.292 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.545 -1.785 2.370 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.056 -3.067 1.877 1.00 0.00 C ATOM 1962 C ALA B 34 -4.114 -3.758 1.020 1.00 0.00 C ATOM 1963 O ALA B 34 -3.794 -4.458 0.061 1.00 0.00 O ATOM 1964 CB ALA B 34 -2.638 -3.962 3.040 1.00 0.00 C ATOM 0 H ALA B 34 -3.647 -1.734 3.384 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.182 -2.882 1.253 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.276 -4.915 2.654 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -1.845 -3.475 3.607 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.495 -4.137 3.691 1.00 0.00 H new ATOM 1970 N THR B 35 -5.376 -3.542 1.364 1.00 0.00 N ATOM 1971 CA THR B 35 -6.480 -4.137 0.628 1.00 0.00 C ATOM 1972 C THR B 35 -6.614 -3.498 -0.755 1.00 0.00 C ATOM 1973 O THR B 35 -7.007 -4.157 -1.716 1.00 0.00 O ATOM 1974 CB THR B 35 -7.810 -3.989 1.405 1.00 0.00 C ATOM 1975 OG1 THR B 35 -7.658 -4.504 2.736 1.00 0.00 O ATOM 1976 CG2 THR B 35 -8.939 -4.732 0.705 1.00 0.00 C ATOM 0 H THR B 35 -5.660 -2.958 2.150 1.00 0.00 H new ATOM 0 HA THR B 35 -6.264 -5.199 0.508 1.00 0.00 H new ATOM 0 HB THR B 35 -8.061 -2.929 1.444 1.00 0.00 H new ATOM 0 HG1 THR B 35 -7.065 -3.916 3.249 1.00 0.00 H new ATOM 0 HG21 THR B 35 -9.861 -4.611 1.273 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.074 -4.327 -0.298 1.00 0.00 H new ATOM 0 HG23 THR B 35 -8.691 -5.791 0.638 1.00 0.00 H new ATOM 1984 N ALA B 36 -6.243 -2.222 -0.850 1.00 0.00 N ATOM 1985 CA ALA B 36 -6.408 -1.444 -2.077 1.00 0.00 C ATOM 1986 C ALA B 36 -5.747 -2.109 -3.281 1.00 0.00 C ATOM 1987 O ALA B 36 -6.371 -2.253 -4.338 1.00 0.00 O ATOM 1988 CB ALA B 36 -5.857 -0.038 -1.891 1.00 0.00 C ATOM 0 H ALA B 36 -5.821 -1.700 -0.082 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.478 -1.392 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -5.987 0.529 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -6.392 0.458 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -4.796 -0.092 -1.645 1.00 0.00 H new ATOM 1994 N LEU B 37 -4.497 -2.533 -3.123 1.00 0.00 N ATOM 1995 CA LEU B 37 -3.754 -3.109 -4.234 1.00 0.00 C ATOM 1996 C LEU B 37 -4.294 -4.485 -4.620 1.00 0.00 C ATOM 1997 O LEU B 37 -4.218 -4.880 -5.781 1.00 0.00 O ATOM 1998 CB LEU B 37 -2.251 -3.179 -3.930 1.00 0.00 C ATOM 1999 CG LEU B 37 -1.855 -3.782 -2.580 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -0.595 -4.620 -2.728 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.619 -2.681 -1.557 1.00 0.00 C ATOM 0 H LEU B 37 -3.982 -2.489 -2.243 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.893 -2.446 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.770 -3.760 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.844 -2.169 -3.985 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.670 -4.419 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.324 -5.043 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.776 -5.426 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.219 -3.992 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.338 -3.126 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.817 -2.028 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.532 -2.099 -1.432 1.00 0.00 H new ATOM 2013 N LEU B 38 -4.849 -5.204 -3.657 1.00 0.00 N ATOM 2014 CA LEU B 38 -5.454 -6.506 -3.935 1.00 0.00 C ATOM 2015 C LEU B 38 -6.855 -6.359 -4.521 1.00 0.00 C ATOM 2016 O LEU B 38 -7.330 -7.233 -5.244 1.00 0.00 O ATOM 2017 CB LEU B 38 -5.528 -7.363 -2.667 1.00 0.00 C ATOM 2018 CG LEU B 38 -4.248 -8.119 -2.294 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -3.155 -7.172 -1.825 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -4.549 -9.156 -1.224 1.00 0.00 C ATOM 0 H LEU B 38 -4.895 -4.914 -2.680 1.00 0.00 H new ATOM 0 HA LEU B 38 -4.815 -7.000 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -5.803 -6.719 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.333 -8.088 -2.788 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.883 -8.624 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -2.263 -7.744 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -2.918 -6.467 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -3.499 -6.625 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.634 -9.688 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -4.943 -8.660 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -5.286 -9.865 -1.601 1.00 0.00 H new ATOM 2032 N LYS B 39 -7.510 -5.256 -4.198 1.00 0.00 N ATOM 2033 CA LYS B 39 -8.915 -5.081 -4.530 1.00 0.00 C ATOM 2034 C LYS B 39 -9.122 -4.564 -5.948 1.00 0.00 C ATOM 2035 O LYS B 39 -9.787 -5.206 -6.758 1.00 0.00 O ATOM 2036 CB LYS B 39 -9.574 -4.116 -3.543 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.062 -3.926 -3.783 1.00 0.00 C ATOM 2038 CD LYS B 39 -11.825 -5.217 -3.544 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.301 -5.064 -3.864 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.075 -6.267 -3.464 1.00 0.00 N ATOM 0 H LYS B 39 -7.091 -4.467 -3.706 1.00 0.00 H new ATOM 0 HA LYS B 39 -9.378 -6.066 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.422 -4.486 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -9.077 -3.148 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.443 -3.147 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -11.228 -3.586 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.400 -6.010 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -11.708 -5.522 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -13.697 -4.188 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -13.426 -4.889 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.079 -6.127 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -13.713 -7.098 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -13.976 -6.419 -2.440 1.00 0.00 H new ATOM 2054 N THR B 40 -8.550 -3.411 -6.253 1.00 0.00 N ATOM 2055 CA THR B 40 -8.891 -2.731 -7.495 1.00 0.00 C ATOM 2056 C THR B 40 -7.661 -2.188 -8.222 1.00 0.00 C ATOM 2057 O THR B 40 -7.777 -1.630 -9.313 1.00 0.00 O ATOM 2058 CB THR B 40 -9.901 -1.593 -7.219 1.00 0.00 C ATOM 2059 OG1 THR B 40 -10.340 -0.983 -8.439 1.00 0.00 O ATOM 2060 CG2 THR B 40 -9.299 -0.537 -6.306 1.00 0.00 C ATOM 0 H THR B 40 -7.861 -2.933 -5.672 1.00 0.00 H new ATOM 0 HA THR B 40 -9.348 -3.470 -8.153 1.00 0.00 H new ATOM 0 HB THR B 40 -10.762 -2.039 -6.721 1.00 0.00 H new ATOM 0 HG1 THR B 40 -10.979 -0.268 -8.236 1.00 0.00 H new ATOM 0 HG21 THR B 40 -10.031 0.251 -6.129 1.00 0.00 H new ATOM 0 HG22 THR B 40 -9.020 -0.993 -5.356 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.414 -0.110 -6.777 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.484 -2.368 -7.634 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.250 -1.927 -8.284 1.00 0.00 C ATOM 2070 C ALA B 41 -5.041 -2.679 -9.592 1.00 0.00 C ATOM 2071 O ALA B 41 -4.482 -2.140 -10.545 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.052 -2.115 -7.370 1.00 0.00 C ATOM 0 H ALA B 41 -6.355 -2.809 -6.723 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.346 -0.863 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.149 -1.779 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.194 -1.532 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.952 -3.170 -7.113 1.00 0.00 H new ATOM 2078 N ILE B 42 -5.512 -3.918 -9.629 1.00 0.00 N ATOM 2079 CA ILE B 42 -5.458 -4.727 -10.835 1.00 0.00 C ATOM 2080 C ILE B 42 -6.760 -4.586 -11.625 1.00 0.00 C ATOM 2081 O ILE B 42 -7.834 -4.959 -11.141 1.00 0.00 O ATOM 2082 CB ILE B 42 -5.219 -6.214 -10.498 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -3.910 -6.379 -9.717 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -5.197 -7.056 -11.769 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -3.661 -7.794 -9.242 1.00 0.00 C ATOM 0 H ILE B 42 -5.939 -4.386 -8.830 1.00 0.00 H new ATOM 0 HA ILE B 42 -4.624 -4.369 -11.439 1.00 0.00 H new ATOM 0 HB ILE B 42 -6.041 -6.564 -9.873 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.078 -6.065 -10.348 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.925 -5.713 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -5.027 -8.101 -11.510 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -6.152 -6.961 -12.285 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -4.396 -6.709 -12.421 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.718 -7.834 -8.698 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.473 -8.105 -8.585 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.613 -8.463 -10.101 1.00 0.00 H new ATOM 2097 N GLU B 43 -6.664 -4.032 -12.823 1.00 0.00 N ATOM 2098 CA GLU B 43 -7.820 -3.875 -13.688 1.00 0.00 C ATOM 2099 C GLU B 43 -7.586 -4.652 -14.980 1.00 0.00 C ATOM 2100 O GLU B 43 -6.440 -4.911 -15.355 1.00 0.00 O ATOM 2101 CB GLU B 43 -8.060 -2.392 -13.989 1.00 0.00 C ATOM 2102 CG GLU B 43 -9.399 -2.094 -14.643 1.00 0.00 C ATOM 2103 CD GLU B 43 -10.556 -2.163 -13.667 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -10.831 -3.259 -13.139 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -11.204 -1.122 -13.428 1.00 0.00 O ATOM 0 H GLU B 43 -5.792 -3.682 -13.219 1.00 0.00 H new ATOM 0 HA GLU B 43 -8.706 -4.267 -13.188 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.990 -1.829 -13.058 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -7.263 -2.032 -14.640 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -9.366 -1.101 -15.092 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -9.569 -2.804 -15.452 1.00 0.00 H new ATOM 2112 N ILE B 44 -8.659 -5.032 -15.652 1.00 0.00 N ATOM 2113 CA ILE B 44 -8.540 -5.818 -16.865 1.00 0.00 C ATOM 2114 C ILE B 44 -8.774 -4.954 -18.103 1.00 0.00 C ATOM 2115 O ILE B 44 -9.754 -4.215 -18.188 1.00 0.00 O ATOM 2116 CB ILE B 44 -9.507 -7.026 -16.851 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -9.321 -7.876 -18.106 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -10.956 -6.576 -16.722 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -10.050 -9.198 -18.046 1.00 0.00 C ATOM 0 H ILE B 44 -9.617 -4.810 -15.379 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.522 -6.205 -16.907 1.00 0.00 H new ATOM 0 HB ILE B 44 -9.267 -7.634 -15.978 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -9.672 -7.315 -18.972 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -8.258 -8.062 -18.256 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -11.609 -7.449 -16.715 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -11.083 -6.021 -15.793 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -11.215 -5.936 -17.566 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -9.876 -9.752 -18.969 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -9.682 -9.778 -17.200 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -11.119 -9.019 -17.927 1.00 0.00 H new ATOM 2131 N VAL B 45 -7.852 -5.030 -19.051 1.00 0.00 N ATOM 2132 CA VAL B 45 -7.977 -4.292 -20.296 1.00 0.00 C ATOM 2133 C VAL B 45 -8.428 -5.224 -21.411 1.00 0.00 C ATOM 2134 O VAL B 45 -7.843 -6.284 -21.626 1.00 0.00 O ATOM 2135 CB VAL B 45 -6.655 -3.589 -20.691 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -6.344 -2.451 -19.728 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -5.496 -4.577 -20.731 1.00 0.00 C ATOM 0 H VAL B 45 -7.007 -5.597 -18.980 1.00 0.00 H new ATOM 0 HA VAL B 45 -8.727 -3.515 -20.144 1.00 0.00 H new ATOM 0 HB VAL B 45 -6.784 -3.176 -21.692 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -5.411 -1.970 -20.023 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -7.153 -1.721 -19.754 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -6.245 -2.847 -18.717 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -4.582 -4.054 -21.011 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -5.369 -5.029 -19.747 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -5.707 -5.356 -21.463 1.00 0.00 H new ATOM 2147 N SER B 46 -9.479 -4.840 -22.104 1.00 0.00 N ATOM 2148 CA SER B 46 -10.067 -5.692 -23.122 1.00 0.00 C ATOM 2149 C SER B 46 -9.436 -5.453 -24.489 1.00 0.00 C ATOM 2150 O SER B 46 -8.784 -4.432 -24.720 1.00 0.00 O ATOM 2151 CB SER B 46 -11.573 -5.449 -23.195 1.00 0.00 C ATOM 2152 OG SER B 46 -12.178 -5.662 -21.931 1.00 0.00 O ATOM 0 H SER B 46 -9.946 -3.942 -21.982 1.00 0.00 H new ATOM 0 HA SER B 46 -9.875 -6.728 -22.843 1.00 0.00 H new ATOM 0 HB2 SER B 46 -11.766 -4.429 -23.529 1.00 0.00 H new ATOM 0 HB3 SER B 46 -12.018 -6.116 -23.934 1.00 0.00 H new ATOM 0 HG SER B 46 -13.142 -5.500 -21.998 1.00 0.00 H new ATOM 2158 N GLU B 47 -9.618 -6.421 -25.377 1.00 0.00 N ATOM 2159 CA GLU B 47 -9.230 -6.273 -26.769 1.00 0.00 C ATOM 2160 C GLU B 47 -10.412 -5.713 -27.555 1.00 0.00 C ATOM 2161 O GLU B 47 -11.301 -5.091 -26.977 1.00 0.00 O ATOM 2162 CB GLU B 47 -8.781 -7.619 -27.348 1.00 0.00 C ATOM 2163 CG GLU B 47 -7.490 -8.146 -26.739 1.00 0.00 C ATOM 2164 CD GLU B 47 -7.063 -9.477 -27.326 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -6.636 -9.510 -28.499 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -7.135 -10.498 -26.616 1.00 0.00 O ATOM 0 H GLU B 47 -10.036 -7.324 -25.153 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.389 -5.584 -26.842 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.572 -8.353 -27.193 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -8.649 -7.515 -28.425 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -6.696 -7.415 -26.893 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -7.619 -8.254 -25.662 1.00 0.00 H new ATOM 2173 N GLU B 48 -10.427 -5.926 -28.861 1.00 0.00 N ATOM 2174 CA GLU B 48 -11.509 -5.424 -29.688 1.00 0.00 C ATOM 2175 C GLU B 48 -12.776 -6.246 -29.481 1.00 0.00 C ATOM 2176 O GLU B 48 -13.852 -5.703 -29.231 1.00 0.00 O ATOM 2177 CB GLU B 48 -11.099 -5.437 -31.159 1.00 0.00 C ATOM 2178 CG GLU B 48 -12.144 -4.852 -32.090 1.00 0.00 C ATOM 2179 CD GLU B 48 -11.634 -4.706 -33.501 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -10.864 -3.756 -33.758 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -11.989 -5.536 -34.362 1.00 0.00 O ATOM 0 H GLU B 48 -9.706 -6.440 -29.368 1.00 0.00 H new ATOM 0 HA GLU B 48 -11.719 -4.396 -29.392 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -10.170 -4.878 -31.273 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -10.892 -6.464 -31.460 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -13.027 -5.491 -32.089 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -12.456 -3.877 -31.716 1.00 0.00 H new ATOM 2188 N ASP B 49 -12.638 -7.557 -29.574 1.00 0.00 N ATOM 2189 CA ASP B 49 -13.789 -8.450 -29.451 1.00 0.00 C ATOM 2190 C ASP B 49 -13.386 -9.848 -28.977 1.00 0.00 C ATOM 2191 O ASP B 49 -14.190 -10.554 -28.363 1.00 0.00 O ATOM 2192 CB ASP B 49 -14.519 -8.549 -30.795 1.00 0.00 C ATOM 2193 CG ASP B 49 -15.774 -9.395 -30.713 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -16.741 -8.964 -30.052 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -15.797 -10.491 -31.307 1.00 0.00 O ATOM 0 H ASP B 49 -11.748 -8.030 -29.733 1.00 0.00 H new ATOM 0 HA ASP B 49 -14.453 -8.025 -28.698 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -14.781 -7.548 -31.137 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -13.846 -8.974 -31.540 1.00 0.00 H new ATOM 2200 N GLY B 50 -12.146 -10.240 -29.257 1.00 0.00 N ATOM 2201 CA GLY B 50 -11.687 -11.582 -28.945 1.00 0.00 C ATOM 2202 C GLY B 50 -11.695 -11.910 -27.464 1.00 0.00 C ATOM 2203 O GLY B 50 -11.955 -13.053 -27.085 1.00 0.00 O ATOM 0 H GLY B 50 -11.445 -9.645 -29.699 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -12.317 -12.301 -29.469 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -10.674 -11.707 -29.328 1.00 0.00 H new ATOM 2207 N GLY B 51 -11.393 -10.924 -26.629 1.00 0.00 N ATOM 2208 CA GLY B 51 -11.387 -11.140 -25.200 1.00 0.00 C ATOM 2209 C GLY B 51 -10.782 -9.972 -24.456 1.00 0.00 C ATOM 2210 O GLY B 51 -10.866 -8.829 -24.907 1.00 0.00 O ATOM 0 H GLY B 51 -11.152 -9.977 -26.920 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -12.408 -11.302 -24.853 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -10.825 -12.046 -24.972 1.00 0.00 H new ATOM 2214 N ALA B 52 -10.165 -10.258 -23.323 1.00 0.00 N ATOM 2215 CA ALA B 52 -9.546 -9.229 -22.503 1.00 0.00 C ATOM 2216 C ALA B 52 -8.282 -9.762 -21.843 1.00 0.00 C ATOM 2217 O ALA B 52 -8.021 -10.961 -21.868 1.00 0.00 O ATOM 2218 CB ALA B 52 -10.532 -8.734 -21.459 1.00 0.00 C ATOM 0 H ALA B 52 -10.079 -11.202 -22.947 1.00 0.00 H new ATOM 0 HA ALA B 52 -9.266 -8.391 -23.141 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.060 -7.964 -20.849 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -11.409 -8.318 -21.955 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.836 -9.565 -20.822 1.00 0.00 H new ATOM 2224 N HIS B 53 -7.493 -8.871 -21.264 1.00 0.00 N ATOM 2225 CA HIS B 53 -6.254 -9.255 -20.606 1.00 0.00 C ATOM 2226 C HIS B 53 -6.184 -8.648 -19.214 1.00 0.00 C ATOM 2227 O HIS B 53 -6.123 -7.429 -19.058 1.00 0.00 O ATOM 2228 CB HIS B 53 -5.041 -8.822 -21.429 1.00 0.00 C ATOM 2229 CG HIS B 53 -4.934 -9.554 -22.727 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -4.170 -10.686 -22.891 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -5.545 -9.339 -23.912 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -4.324 -11.138 -24.119 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -5.153 -10.339 -24.761 1.00 0.00 N ATOM 0 H HIS B 53 -7.690 -7.871 -21.236 1.00 0.00 H new ATOM 0 HA HIS B 53 -6.240 -10.341 -20.520 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -5.103 -7.751 -21.624 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -4.134 -8.988 -20.847 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -6.218 -8.528 -24.147 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -3.850 -12.017 -24.531 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -5.453 -10.448 -25.730 1.00 0.00 H new ATOM 2242 N ASN B 54 -6.216 -9.504 -18.210 1.00 0.00 N ATOM 2243 CA ASN B 54 -6.120 -9.064 -16.825 1.00 0.00 C ATOM 2244 C ASN B 54 -4.654 -8.931 -16.439 1.00 0.00 C ATOM 2245 O ASN B 54 -3.914 -9.917 -16.439 1.00 0.00 O ATOM 2246 CB ASN B 54 -6.832 -10.058 -15.905 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.884 -9.595 -14.462 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -6.892 -8.400 -14.180 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -6.935 -10.543 -13.538 1.00 0.00 N ATOM 0 H ASN B 54 -6.308 -10.513 -18.326 1.00 0.00 H new ATOM 0 HA ASN B 54 -6.605 -8.094 -16.717 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.848 -10.217 -16.267 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -6.322 -11.020 -15.954 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -6.983 -10.291 -12.551 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -6.926 -11.525 -13.814 1.00 0.00 H new ATOM 2256 N GLN B 55 -4.233 -7.721 -16.119 1.00 0.00 N ATOM 2257 CA GLN B 55 -2.819 -7.452 -15.912 1.00 0.00 C ATOM 2258 C GLN B 55 -2.506 -7.146 -14.453 1.00 0.00 C ATOM 2259 O GLN B 55 -2.968 -6.151 -13.894 1.00 0.00 O ATOM 2260 CB GLN B 55 -2.357 -6.309 -16.823 1.00 0.00 C ATOM 2261 CG GLN B 55 -3.250 -5.075 -16.786 1.00 0.00 C ATOM 2262 CD GLN B 55 -2.826 -4.019 -17.790 1.00 0.00 C ATOM 2263 OE1 GLN B 55 -2.267 -4.335 -18.842 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -3.087 -2.759 -17.478 1.00 0.00 N ATOM 0 H GLN B 55 -4.844 -6.913 -15.997 1.00 0.00 H new ATOM 0 HA GLN B 55 -2.267 -8.355 -16.174 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.346 -6.019 -16.538 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -2.306 -6.675 -17.848 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -4.280 -5.370 -16.987 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -3.231 -4.647 -15.784 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -3.551 -2.537 -16.597 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -2.824 -2.010 -18.118 1.00 0.00 H new ATOM 2273 N CYS B 56 -1.712 -8.013 -13.838 1.00 0.00 N ATOM 2274 CA CYS B 56 -1.276 -7.810 -12.469 1.00 0.00 C ATOM 2275 C CYS B 56 -0.105 -6.834 -12.448 1.00 0.00 C ATOM 2276 O CYS B 56 1.055 -7.227 -12.576 1.00 0.00 O ATOM 2277 CB CYS B 56 -0.891 -9.143 -11.824 1.00 0.00 C ATOM 2278 SG CYS B 56 -2.237 -10.347 -11.789 1.00 0.00 S ATOM 0 H CYS B 56 -1.357 -8.866 -14.271 1.00 0.00 H new ATOM 0 HA CYS B 56 -2.096 -7.387 -11.889 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.048 -9.569 -12.367 1.00 0.00 H new ATOM 0 HB3 CYS B 56 -0.553 -8.959 -10.804 1.00 0.00 H new ATOM 0 HG CYS B 56 -1.823 -11.445 -11.229 1.00 0.00 H new ATOM 2284 N LYS B 57 -0.443 -5.560 -12.307 1.00 0.00 N ATOM 2285 CA LYS B 57 0.505 -4.457 -12.447 1.00 0.00 C ATOM 2286 C LYS B 57 1.719 -4.601 -11.533 1.00 0.00 C ATOM 2287 O LYS B 57 2.855 -4.437 -11.971 1.00 0.00 O ATOM 2288 CB LYS B 57 -0.207 -3.137 -12.149 1.00 0.00 C ATOM 2289 CG LYS B 57 -1.488 -2.948 -12.944 1.00 0.00 C ATOM 2290 CD LYS B 57 -1.210 -2.823 -14.433 1.00 0.00 C ATOM 2291 CE LYS B 57 -0.539 -1.502 -14.768 1.00 0.00 C ATOM 2292 NZ LYS B 57 -1.363 -0.345 -14.335 1.00 0.00 N ATOM 0 H LYS B 57 -1.392 -5.257 -12.090 1.00 0.00 H new ATOM 0 HA LYS B 57 0.873 -4.473 -13.473 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -0.439 -3.090 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS B 57 0.471 -2.311 -12.364 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -2.154 -3.792 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -2.006 -2.055 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -0.573 -3.647 -14.755 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -2.145 -2.907 -14.987 1.00 0.00 H new ATOM 0 HE2 LYS B 57 0.437 -1.456 -14.284 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -0.365 -1.444 -15.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -1.190 0.461 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -2.370 -0.603 -14.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -1.107 -0.081 -13.362 1.00 0.00 H new ATOM 2306 N LEU B 58 1.477 -4.928 -10.272 1.00 0.00 N ATOM 2307 CA LEU B 58 2.539 -4.952 -9.271 1.00 0.00 C ATOM 2308 C LEU B 58 3.413 -6.200 -9.384 1.00 0.00 C ATOM 2309 O LEU B 58 4.491 -6.262 -8.793 1.00 0.00 O ATOM 2310 CB LEU B 58 1.952 -4.848 -7.858 1.00 0.00 C ATOM 2311 CG LEU B 58 1.680 -3.425 -7.352 1.00 0.00 C ATOM 2312 CD1 LEU B 58 0.626 -2.722 -8.194 1.00 0.00 C ATOM 2313 CD2 LEU B 58 1.252 -3.458 -5.892 1.00 0.00 C ATOM 0 H LEU B 58 0.555 -5.181 -9.915 1.00 0.00 H new ATOM 0 HA LEU B 58 3.174 -4.087 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.017 -5.408 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.636 -5.336 -7.164 1.00 0.00 H new ATOM 0 HG LEU B 58 2.607 -2.859 -7.441 1.00 0.00 H new ATOM 0 HD11 LEU B 58 0.460 -1.717 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU B 58 0.968 -2.660 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.307 -3.285 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU B 58 1.062 -2.442 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU B 58 0.343 -4.051 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU B 58 2.044 -3.904 -5.291 1.00 0.00 H new ATOM 2325 N CYS B 59 2.955 -7.192 -10.132 1.00 0.00 N ATOM 2326 CA CYS B 59 3.727 -8.416 -10.309 1.00 0.00 C ATOM 2327 C CYS B 59 4.409 -8.425 -11.674 1.00 0.00 C ATOM 2328 O CYS B 59 5.463 -9.038 -11.848 1.00 0.00 O ATOM 2329 CB CYS B 59 2.825 -9.642 -10.161 1.00 0.00 C ATOM 2330 SG CYS B 59 1.781 -9.611 -8.682 1.00 0.00 S ATOM 0 H CYS B 59 2.061 -7.176 -10.623 1.00 0.00 H new ATOM 0 HA CYS B 59 4.495 -8.453 -9.536 1.00 0.00 H new ATOM 0 HB2 CYS B 59 2.188 -9.720 -11.042 1.00 0.00 H new ATOM 0 HB3 CYS B 59 3.446 -10.537 -10.136 1.00 0.00 H new ATOM 0 HG CYS B 59 1.052 -10.687 -8.643 1.00 0.00 H new ATOM 2336 N GLY B 60 3.806 -7.730 -12.633 1.00 0.00 N ATOM 2337 CA GLY B 60 4.356 -7.681 -13.974 1.00 0.00 C ATOM 2338 C GLY B 60 3.972 -8.898 -14.791 1.00 0.00 C ATOM 2339 O GLY B 60 4.753 -9.379 -15.615 1.00 0.00 O ATOM 0 H GLY B 60 2.945 -7.199 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.004 -6.781 -14.477 1.00 0.00 H new ATOM 0 HA3 GLY B 60 5.442 -7.610 -13.918 1.00 0.00 H new ATOM 2343 N ALA B 61 2.768 -9.400 -14.561 1.00 0.00 N ATOM 2344 CA ALA B 61 2.289 -10.578 -15.264 1.00 0.00 C ATOM 2345 C ALA B 61 0.846 -10.386 -15.709 1.00 0.00 C ATOM 2346 O ALA B 61 0.012 -9.896 -14.947 1.00 0.00 O ATOM 2347 CB ALA B 61 2.424 -11.811 -14.385 1.00 0.00 C ATOM 0 H ALA B 61 2.105 -9.009 -13.892 1.00 0.00 H new ATOM 0 HA ALA B 61 2.901 -10.723 -16.154 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.061 -12.685 -14.926 1.00 0.00 H new ATOM 0 HB2 ALA B 61 3.471 -11.957 -14.121 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.836 -11.677 -13.477 1.00 0.00 H new ATOM 2353 N SER B 62 0.556 -10.769 -16.942 1.00 0.00 N ATOM 2354 CA SER B 62 -0.782 -10.622 -17.492 1.00 0.00 C ATOM 2355 C SER B 62 -1.377 -11.986 -17.828 1.00 0.00 C ATOM 2356 O SER B 62 -0.660 -12.913 -18.219 1.00 0.00 O ATOM 2357 CB SER B 62 -0.745 -9.740 -18.743 1.00 0.00 C ATOM 2358 OG SER B 62 -0.212 -8.456 -18.451 1.00 0.00 O ATOM 0 H SER B 62 1.232 -11.185 -17.583 1.00 0.00 H new ATOM 0 HA SER B 62 -1.413 -10.145 -16.742 1.00 0.00 H new ATOM 0 HB2 SER B 62 -0.141 -10.221 -19.512 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.752 -9.635 -19.147 1.00 0.00 H new ATOM 0 HG SER B 62 -0.198 -7.914 -19.267 1.00 0.00 H new ATOM 2364 N VAL B 63 -2.682 -12.110 -17.656 1.00 0.00 N ATOM 2365 CA VAL B 63 -3.393 -13.336 -17.984 1.00 0.00 C ATOM 2366 C VAL B 63 -4.679 -12.996 -18.732 1.00 0.00 C ATOM 2367 O VAL B 63 -5.354 -12.026 -18.389 1.00 0.00 O ATOM 2368 CB VAL B 63 -3.707 -14.165 -16.707 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -4.623 -13.412 -15.754 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -4.306 -15.516 -17.065 1.00 0.00 C ATOM 0 H VAL B 63 -3.277 -11.368 -17.287 1.00 0.00 H new ATOM 0 HA VAL B 63 -2.755 -13.947 -18.623 1.00 0.00 H new ATOM 0 HB VAL B 63 -2.760 -14.332 -16.194 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.818 -14.026 -14.875 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -4.144 -12.482 -15.448 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -5.564 -13.188 -16.255 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -4.516 -16.074 -16.153 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -5.232 -15.368 -17.621 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -3.600 -16.076 -17.679 1.00 0.00 H new ATOM 2380 N PRO B 64 -5.007 -13.743 -19.801 1.00 0.00 N ATOM 2381 CA PRO B 64 -6.253 -13.552 -20.552 1.00 0.00 C ATOM 2382 C PRO B 64 -7.488 -13.529 -19.648 1.00 0.00 C ATOM 2383 O PRO B 64 -7.456 -14.043 -18.526 1.00 0.00 O ATOM 2384 CB PRO B 64 -6.306 -14.755 -21.506 1.00 0.00 C ATOM 2385 CG PRO B 64 -5.200 -15.665 -21.083 1.00 0.00 C ATOM 2386 CD PRO B 64 -4.185 -14.806 -20.386 1.00 0.00 C ATOM 0 HA PRO B 64 -6.261 -12.591 -21.067 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -7.271 -15.259 -21.445 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -6.176 -14.438 -22.541 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -5.572 -16.444 -20.417 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -4.758 -16.166 -21.945 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -3.640 -15.362 -19.623 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -3.445 -14.409 -21.081 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.558 -12.923 -20.162 1.00 0.00 N ATOM 2395 CA TRP B 65 -9.810 -12.717 -19.432 1.00 0.00 C ATOM 2396 C TRP B 65 -10.197 -13.943 -18.609 1.00 0.00 C ATOM 2397 O TRP B 65 -10.226 -13.889 -17.377 1.00 0.00 O ATOM 2398 CB TRP B 65 -10.925 -12.365 -20.429 1.00 0.00 C ATOM 2399 CG TRP B 65 -12.166 -11.802 -19.800 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -12.398 -11.608 -18.472 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -13.347 -11.357 -20.481 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -13.649 -11.076 -18.281 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -14.250 -10.910 -19.500 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -13.725 -11.289 -21.825 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -15.511 -10.411 -19.818 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -14.976 -10.792 -22.141 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -15.854 -10.355 -21.141 1.00 0.00 C ATOM 0 H TRP B 65 -8.580 -12.555 -21.113 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.667 -11.894 -18.732 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -10.538 -11.643 -21.148 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -11.191 -13.262 -20.989 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -11.698 -11.839 -17.683 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -14.063 -10.843 -17.379 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -13.052 -11.619 -22.603 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -16.193 -10.080 -19.048 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -15.281 -10.740 -23.176 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -16.822 -9.966 -21.420 1.00 0.00 H new ATOM 2418 N LEU B 66 -10.480 -15.043 -19.285 1.00 0.00 N ATOM 2419 CA LEU B 66 -10.809 -16.282 -18.595 1.00 0.00 C ATOM 2420 C LEU B 66 -9.882 -17.412 -19.016 1.00 0.00 C ATOM 2421 O LEU B 66 -10.120 -18.099 -20.008 1.00 0.00 O ATOM 2422 CB LEU B 66 -12.270 -16.686 -18.811 1.00 0.00 C ATOM 2423 CG LEU B 66 -13.300 -15.813 -18.092 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -13.951 -14.838 -19.057 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -14.347 -16.680 -17.412 1.00 0.00 C ATOM 0 H LEU B 66 -10.489 -15.106 -20.303 1.00 0.00 H new ATOM 0 HA LEU B 66 -10.667 -16.096 -17.530 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -12.482 -16.665 -19.880 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -12.398 -17.717 -18.481 1.00 0.00 H new ATOM 0 HG LEU B 66 -12.784 -15.233 -17.327 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -14.679 -14.228 -18.522 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -13.188 -14.193 -19.493 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -14.454 -15.392 -19.850 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -15.073 -16.044 -16.905 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -14.857 -17.288 -18.159 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -13.863 -17.331 -16.684 1.00 0.00 H new ATOM 2437 N GLN B 67 -8.807 -17.568 -18.265 1.00 0.00 N ATOM 2438 CA GLN B 67 -7.907 -18.698 -18.421 1.00 0.00 C ATOM 2439 C GLN B 67 -7.727 -19.369 -17.073 1.00 0.00 C ATOM 2440 O GLN B 67 -7.968 -20.566 -16.917 1.00 0.00 O ATOM 2441 CB GLN B 67 -6.546 -18.237 -18.953 1.00 0.00 C ATOM 2442 CG GLN B 67 -5.533 -19.366 -19.084 1.00 0.00 C ATOM 2443 CD GLN B 67 -4.131 -18.864 -19.372 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -3.744 -18.696 -20.525 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -3.356 -18.632 -18.323 1.00 0.00 N ATOM 0 H GLN B 67 -8.533 -16.916 -17.530 1.00 0.00 H new ATOM 0 HA GLN B 67 -8.335 -19.400 -19.137 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -6.685 -17.769 -19.927 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -6.144 -17.474 -18.287 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.524 -19.949 -18.163 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.845 -20.038 -19.883 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.715 -18.784 -17.380 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -2.401 -18.302 -18.458 1.00 0.00 H new ATOM 2454 N THR B 68 -7.324 -18.560 -16.104 1.00 0.00 N ATOM 2455 CA THR B 68 -7.070 -19.007 -14.749 1.00 0.00 C ATOM 2456 C THR B 68 -6.485 -17.847 -13.948 1.00 0.00 C ATOM 2457 O THR B 68 -5.866 -16.945 -14.517 1.00 0.00 O ATOM 2458 CB THR B 68 -6.096 -20.213 -14.714 1.00 0.00 C ATOM 2459 OG1 THR B 68 -5.995 -20.731 -13.382 1.00 0.00 O ATOM 2460 CG2 THR B 68 -4.709 -19.825 -15.213 1.00 0.00 C ATOM 0 H THR B 68 -7.163 -17.562 -16.242 1.00 0.00 H new ATOM 0 HA THR B 68 -8.013 -19.335 -14.312 1.00 0.00 H new ATOM 0 HB THR B 68 -6.499 -20.979 -15.376 1.00 0.00 H new ATOM 0 HG1 THR B 68 -5.379 -21.493 -13.373 1.00 0.00 H new ATOM 0 HG21 THR B 68 -4.052 -20.694 -15.175 1.00 0.00 H new ATOM 0 HG22 THR B 68 -4.779 -19.468 -16.240 1.00 0.00 H new ATOM 0 HG23 THR B 68 -4.303 -19.035 -14.581 1.00 0.00 H new ATOM 2468 N GLY B 69 -6.698 -17.853 -12.643 1.00 0.00 N ATOM 2469 CA GLY B 69 -6.116 -16.829 -11.802 1.00 0.00 C ATOM 2470 C GLY B 69 -4.796 -17.277 -11.214 1.00 0.00 C ATOM 2471 O GLY B 69 -4.283 -16.677 -10.268 1.00 0.00 O ATOM 0 H GLY B 69 -7.262 -18.546 -12.151 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -5.966 -15.920 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -6.808 -16.581 -10.997 1.00 0.00 H new ATOM 2543 N HIS B 74 4.387 -14.533 -9.230 1.00 0.00 N ATOM 2544 CA HIS B 74 4.486 -13.452 -8.271 1.00 0.00 C ATOM 2545 C HIS B 74 5.945 -13.113 -7.998 1.00 0.00 C ATOM 2546 O HIS B 74 6.791 -13.999 -7.881 1.00 0.00 O ATOM 2547 CB HIS B 74 3.766 -13.814 -6.957 1.00 0.00 C ATOM 2548 CG HIS B 74 4.447 -14.878 -6.137 1.00 0.00 C ATOM 2549 ND1 HIS B 74 4.282 -16.228 -6.359 1.00 0.00 N ATOM 2550 CD2 HIS B 74 5.300 -14.776 -5.089 1.00 0.00 C ATOM 2551 CE1 HIS B 74 5.001 -16.908 -5.485 1.00 0.00 C ATOM 2552 NE2 HIS B 74 5.626 -16.049 -4.705 1.00 0.00 N ATOM 0 HA HIS B 74 3.998 -12.576 -8.698 1.00 0.00 H new ATOM 0 HB2 HIS B 74 3.671 -12.913 -6.351 1.00 0.00 H new ATOM 0 HB3 HIS B 74 2.755 -14.148 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS B 74 5.656 -13.861 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS B 74 5.066 -17.984 -5.420 1.00 0.00 H new ATOM 0 HE2 HIS B 74 6.252 -16.293 -3.938 1.00 0.00 H new ATOM 2561 N ALA B 75 6.230 -11.829 -7.919 1.00 0.00 N ATOM 2562 CA ALA B 75 7.552 -11.366 -7.556 1.00 0.00 C ATOM 2563 C ALA B 75 7.726 -11.473 -6.047 1.00 0.00 C ATOM 2564 O ALA B 75 6.836 -11.095 -5.291 1.00 0.00 O ATOM 2565 CB ALA B 75 7.743 -9.937 -8.035 1.00 0.00 C ATOM 0 H ALA B 75 5.558 -11.084 -8.103 1.00 0.00 H new ATOM 0 HA ALA B 75 8.310 -11.986 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.739 -9.591 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.632 -9.899 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.995 -9.294 -7.570 1.00 0.00 H new ATOM 2571 N ASP B 76 8.855 -11.995 -5.611 1.00 0.00 N ATOM 2572 CA ASP B 76 9.086 -12.230 -4.186 1.00 0.00 C ATOM 2573 C ASP B 76 9.370 -10.919 -3.462 1.00 0.00 C ATOM 2574 O ASP B 76 9.159 -10.800 -2.253 1.00 0.00 O ATOM 2575 CB ASP B 76 10.252 -13.202 -3.989 1.00 0.00 C ATOM 2576 CG ASP B 76 10.394 -13.664 -2.548 1.00 0.00 C ATOM 2577 OD1 ASP B 76 9.626 -14.560 -2.129 1.00 0.00 O ATOM 2578 OD2 ASP B 76 11.275 -13.142 -1.827 1.00 0.00 O ATOM 0 H ASP B 76 9.630 -12.267 -6.216 1.00 0.00 H new ATOM 0 HA ASP B 76 8.183 -12.671 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP B 76 10.108 -14.070 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP B 76 11.178 -12.721 -4.305 1.00 0.00 H new ATOM 2583 N ASP B 77 9.829 -9.931 -4.221 1.00 0.00 N ATOM 2584 CA ASP B 77 10.224 -8.641 -3.661 1.00 0.00 C ATOM 2585 C ASP B 77 9.119 -7.594 -3.825 1.00 0.00 C ATOM 2586 O ASP B 77 9.263 -6.449 -3.390 1.00 0.00 O ATOM 2587 CB ASP B 77 11.510 -8.169 -4.342 1.00 0.00 C ATOM 2588 CG ASP B 77 12.108 -6.930 -3.705 1.00 0.00 C ATOM 2589 OD1 ASP B 77 12.487 -6.989 -2.514 1.00 0.00 O ATOM 2590 OD2 ASP B 77 12.210 -5.894 -4.394 1.00 0.00 O ATOM 0 H ASP B 77 9.938 -9.998 -5.233 1.00 0.00 H new ATOM 0 HA ASP B 77 10.397 -8.766 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP B 77 12.244 -8.974 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.302 -7.965 -5.392 1.00 0.00 H new ATOM 2595 N CYS B 78 8.009 -7.989 -4.438 1.00 0.00 N ATOM 2596 CA CYS B 78 6.903 -7.061 -4.679 1.00 0.00 C ATOM 2597 C CYS B 78 6.130 -6.783 -3.388 1.00 0.00 C ATOM 2598 O CYS B 78 6.129 -7.601 -2.462 1.00 0.00 O ATOM 2599 CB CYS B 78 5.948 -7.604 -5.751 1.00 0.00 C ATOM 2600 SG CYS B 78 4.933 -9.006 -5.224 1.00 0.00 S ATOM 0 H CYS B 78 7.848 -8.938 -4.776 1.00 0.00 H new ATOM 0 HA CYS B 78 7.334 -6.127 -5.038 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.289 -6.797 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS B 78 6.533 -7.904 -6.620 1.00 0.00 H new ATOM 0 HG CYS B 78 5.675 -10.070 -5.136 1.00 0.00 H new ATOM 2606 N PRO B 79 5.463 -5.616 -3.306 1.00 0.00 N ATOM 2607 CA PRO B 79 4.686 -5.221 -2.126 1.00 0.00 C ATOM 2608 C PRO B 79 3.412 -6.050 -1.941 1.00 0.00 C ATOM 2609 O PRO B 79 2.768 -5.979 -0.898 1.00 0.00 O ATOM 2610 CB PRO B 79 4.323 -3.754 -2.398 1.00 0.00 C ATOM 2611 CG PRO B 79 5.182 -3.332 -3.544 1.00 0.00 C ATOM 2612 CD PRO B 79 5.435 -4.573 -4.340 1.00 0.00 C ATOM 0 HA PRO B 79 5.259 -5.375 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO B 79 3.266 -3.651 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO B 79 4.509 -3.135 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO B 79 4.684 -2.574 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO B 79 6.117 -2.895 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO B 79 4.649 -4.751 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO B 79 6.376 -4.519 -4.887 1.00 0.00 H new ATOM 2620 N VAL B 80 3.059 -6.836 -2.949 1.00 0.00 N ATOM 2621 CA VAL B 80 1.835 -7.634 -2.907 1.00 0.00 C ATOM 2622 C VAL B 80 1.912 -8.709 -1.824 1.00 0.00 C ATOM 2623 O VAL B 80 0.973 -8.882 -1.045 1.00 0.00 O ATOM 2624 CB VAL B 80 1.553 -8.310 -4.265 1.00 0.00 C ATOM 2625 CG1 VAL B 80 0.260 -9.115 -4.215 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.508 -7.274 -5.378 1.00 0.00 C ATOM 0 H VAL B 80 3.601 -6.940 -3.807 1.00 0.00 H new ATOM 0 HA VAL B 80 1.021 -6.946 -2.676 1.00 0.00 H new ATOM 0 HB VAL B 80 2.368 -9.002 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL B 80 0.084 -9.581 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL B 80 0.342 -9.887 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.572 -8.453 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.308 -7.769 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.718 -6.552 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.466 -6.757 -5.433 1.00 0.00 H new ATOM 2636 N VAL B 81 3.046 -9.405 -1.769 1.00 0.00 N ATOM 2637 CA VAL B 81 3.233 -10.524 -0.840 1.00 0.00 C ATOM 2638 C VAL B 81 3.053 -10.081 0.612 1.00 0.00 C ATOM 2639 O VAL B 81 2.300 -10.694 1.371 1.00 0.00 O ATOM 2640 CB VAL B 81 4.629 -11.168 -1.009 1.00 0.00 C ATOM 2641 CG1 VAL B 81 4.790 -12.371 -0.088 1.00 0.00 C ATOM 2642 CG2 VAL B 81 4.856 -11.576 -2.460 1.00 0.00 C ATOM 0 H VAL B 81 3.855 -9.214 -2.360 1.00 0.00 H new ATOM 0 HA VAL B 81 2.469 -11.264 -1.081 1.00 0.00 H new ATOM 0 HB VAL B 81 5.379 -10.426 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.780 -12.805 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL B 81 4.675 -12.054 0.948 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.031 -13.116 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.843 -12.027 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL B 81 4.095 -12.297 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL B 81 4.792 -10.696 -3.100 1.00 0.00 H new ATOM 2652 N ILE B 82 3.730 -9.006 0.983 1.00 0.00 N ATOM 2653 CA ILE B 82 3.685 -8.513 2.350 1.00 0.00 C ATOM 2654 C ILE B 82 2.297 -7.972 2.692 1.00 0.00 C ATOM 2655 O ILE B 82 1.740 -8.289 3.742 1.00 0.00 O ATOM 2656 CB ILE B 82 4.765 -7.427 2.580 1.00 0.00 C ATOM 2657 CG1 ILE B 82 4.744 -6.926 4.020 1.00 0.00 C ATOM 2658 CG2 ILE B 82 4.617 -6.259 1.616 1.00 0.00 C ATOM 2659 CD1 ILE B 82 5.209 -7.952 5.034 1.00 0.00 C ATOM 0 H ILE B 82 4.318 -8.458 0.355 1.00 0.00 H new ATOM 0 HA ILE B 82 3.895 -9.351 3.015 1.00 0.00 H new ATOM 0 HB ILE B 82 5.729 -7.898 2.386 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.377 -6.042 4.096 1.00 0.00 H new ATOM 0 HG13 ILE B 82 3.730 -6.615 4.271 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.396 -5.522 1.815 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.711 -6.619 0.591 1.00 0.00 H new ATOM 0 HG23 ILE B 82 3.639 -5.798 1.751 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.165 -7.521 6.034 1.00 0.00 H new ATOM 0 HD12 ILE B 82 4.562 -8.828 4.988 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.234 -8.246 4.810 1.00 0.00 H new ATOM 2671 N ALA B 83 1.735 -7.193 1.781 1.00 0.00 N ATOM 2672 CA ALA B 83 0.440 -6.564 2.000 1.00 0.00 C ATOM 2673 C ALA B 83 -0.670 -7.595 2.175 1.00 0.00 C ATOM 2674 O ALA B 83 -1.492 -7.484 3.088 1.00 0.00 O ATOM 2675 CB ALA B 83 0.108 -5.626 0.850 1.00 0.00 C ATOM 0 H ALA B 83 2.158 -6.980 0.878 1.00 0.00 H new ATOM 0 HA ALA B 83 0.506 -5.991 2.925 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.863 -5.163 1.027 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.872 -4.852 0.780 1.00 0.00 H new ATOM 0 HB3 ALA B 83 0.076 -6.190 -0.082 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.684 -8.609 1.310 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.731 -9.627 1.345 1.00 0.00 C ATOM 2683 C LYS B 84 -1.669 -10.430 2.642 1.00 0.00 C ATOM 2684 O LYS B 84 -2.677 -10.964 3.106 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.634 -10.560 0.129 1.00 0.00 C ATOM 2686 CG LYS B 84 -0.562 -11.637 0.238 1.00 0.00 C ATOM 2687 CD LYS B 84 -0.360 -12.374 -1.078 1.00 0.00 C ATOM 2688 CE LYS B 84 -1.665 -12.933 -1.639 1.00 0.00 C ATOM 2689 NZ LYS B 84 -2.282 -13.964 -0.758 1.00 0.00 N ATOM 0 H LYS B 84 0.015 -8.746 0.580 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.693 -9.115 1.305 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -2.600 -11.042 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -1.437 -9.959 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS B 84 0.379 -11.182 0.547 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -0.842 -12.350 1.014 1.00 0.00 H new ATOM 0 HD2 LYS B 84 0.084 -11.696 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS B 84 0.347 -13.190 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -2.372 -12.116 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -1.476 -13.368 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -3.164 -14.307 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -1.622 -14.759 -0.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -2.491 -13.547 0.171 1.00 0.00 H new ATOM 2703 N GLN B 85 -0.477 -10.521 3.213 1.00 0.00 N ATOM 2704 CA GLN B 85 -0.276 -11.238 4.462 1.00 0.00 C ATOM 2705 C GLN B 85 -0.785 -10.411 5.641 1.00 0.00 C ATOM 2706 O GLN B 85 -1.430 -10.941 6.544 1.00 0.00 O ATOM 2707 CB GLN B 85 1.207 -11.570 4.645 1.00 0.00 C ATOM 2708 CG GLN B 85 1.496 -12.484 5.827 1.00 0.00 C ATOM 2709 CD GLN B 85 2.966 -12.842 5.933 1.00 0.00 C ATOM 2710 OE1 GLN B 85 3.740 -12.164 6.608 1.00 0.00 O ATOM 2711 NE2 GLN B 85 3.359 -13.913 5.263 1.00 0.00 N ATOM 0 H GLN B 85 0.370 -10.104 2.828 1.00 0.00 H new ATOM 0 HA GLN B 85 -0.842 -12.169 4.425 1.00 0.00 H new ATOM 0 HB2 GLN B 85 1.578 -12.042 3.735 1.00 0.00 H new ATOM 0 HB3 GLN B 85 1.764 -10.641 4.772 1.00 0.00 H new ATOM 0 HG2 GLN B 85 1.176 -11.996 6.748 1.00 0.00 H new ATOM 0 HG3 GLN B 85 0.908 -13.397 5.730 1.00 0.00 H new ATOM 0 HE21 GLN B 85 2.685 -14.448 4.715 1.00 0.00 H new ATOM 0 HE22 GLN B 85 4.336 -14.204 5.294 1.00 0.00 H new ATOM 2720 N ILE B 86 -0.515 -9.111 5.612 1.00 0.00 N ATOM 2721 CA ILE B 86 -0.912 -8.215 6.698 1.00 0.00 C ATOM 2722 C ILE B 86 -2.434 -8.169 6.861 1.00 0.00 C ATOM 2723 O ILE B 86 -2.953 -8.260 7.974 1.00 0.00 O ATOM 2724 CB ILE B 86 -0.378 -6.782 6.464 1.00 0.00 C ATOM 2725 CG1 ILE B 86 1.153 -6.780 6.419 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -0.881 -5.825 7.542 1.00 0.00 C ATOM 2727 CD1 ILE B 86 1.753 -5.426 6.102 1.00 0.00 C ATOM 0 H ILE B 86 -0.022 -8.651 4.847 1.00 0.00 H new ATOM 0 HA ILE B 86 -0.474 -8.614 7.613 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.756 -6.436 5.502 1.00 0.00 H new ATOM 0 HG12 ILE B 86 1.536 -7.121 7.381 1.00 0.00 H new ATOM 0 HG13 ILE B 86 1.486 -7.499 5.671 1.00 0.00 H new ATOM 0 HG21 ILE B 86 -0.490 -4.825 7.352 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -1.971 -5.798 7.525 1.00 0.00 H new ATOM 0 HG23 ILE B 86 -0.542 -6.168 8.520 1.00 0.00 H new ATOM 0 HD11 ILE B 86 2.840 -5.504 6.088 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.400 -5.091 5.126 1.00 0.00 H new ATOM 0 HD13 ILE B 86 1.451 -4.707 6.863 1.00 0.00 H new ATOM 2739 N LEU B 87 -3.148 -8.054 5.747 1.00 0.00 N ATOM 2740 CA LEU B 87 -4.603 -7.960 5.786 1.00 0.00 C ATOM 2741 C LEU B 87 -5.234 -9.325 6.075 1.00 0.00 C ATOM 2742 O LEU B 87 -6.443 -9.440 6.272 1.00 0.00 O ATOM 2743 CB LEU B 87 -5.132 -7.369 4.470 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.751 -8.121 3.187 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.678 -9.303 2.948 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.774 -7.177 1.996 1.00 0.00 C ATOM 0 H LEU B 87 -2.746 -8.024 4.810 1.00 0.00 H new ATOM 0 HA LEU B 87 -4.885 -7.291 6.599 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -6.219 -7.321 4.529 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.772 -6.344 4.386 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.739 -8.508 3.309 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.384 -9.817 2.033 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.611 -9.993 3.789 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.704 -8.947 2.851 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.502 -7.724 1.093 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.775 -6.761 1.881 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -4.062 -6.368 2.159 1.00 0.00 H new ATOM 2758 N SER B 88 -4.399 -10.354 6.119 1.00 0.00 N ATOM 2759 CA SER B 88 -4.866 -11.710 6.370 1.00 0.00 C ATOM 2760 C SER B 88 -4.811 -12.023 7.865 1.00 0.00 C ATOM 2761 O SER B 88 -4.946 -13.173 8.277 1.00 0.00 O ATOM 2762 CB SER B 88 -4.013 -12.712 5.579 1.00 0.00 C ATOM 2763 OG SER B 88 -4.551 -14.025 5.633 1.00 0.00 O ATOM 0 H SER B 88 -3.391 -10.275 5.984 1.00 0.00 H new ATOM 0 HA SER B 88 -5.902 -11.794 6.040 1.00 0.00 H new ATOM 0 HB2 SER B 88 -3.945 -12.390 4.540 1.00 0.00 H new ATOM 0 HB3 SER B 88 -2.998 -12.719 5.977 1.00 0.00 H new ATOM 0 HG SER B 88 -4.889 -14.203 6.535 1.00 0.00 H new ATOM 2769 N SER B 89 -4.631 -10.988 8.673 1.00 0.00 N ATOM 2770 CA SER B 89 -4.521 -11.149 10.115 1.00 0.00 C ATOM 2771 C SER B 89 -5.904 -11.254 10.774 1.00 0.00 C ATOM 2772 O SER B 89 -6.330 -10.354 11.499 1.00 0.00 O ATOM 2773 CB SER B 89 -3.721 -9.985 10.715 1.00 0.00 C ATOM 2774 OG SER B 89 -3.536 -10.143 12.112 1.00 0.00 O ATOM 0 H SER B 89 -4.558 -10.023 8.352 1.00 0.00 H new ATOM 0 HA SER B 89 -3.992 -12.081 10.314 1.00 0.00 H new ATOM 0 HB2 SER B 89 -2.750 -9.919 10.224 1.00 0.00 H new ATOM 0 HB3 SER B 89 -4.241 -9.047 10.520 1.00 0.00 H new ATOM 0 HG SER B 89 -2.893 -9.478 12.434 1.00 0.00 H new