USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 120 SER OG : rot 180:sc= -0.126 USER MOD Set 1.2: A 124 GLN : amide:sc= 0 K(o=-0.13,f=-0.89) USER MOD Set 2.1: A 36 HIS : no HD1:sc= -1.38 K(o=-2,f=-1.1) USER MOD Set 2.2: A 55 GLN : amide:sc= -0.64 K(o=-2,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.2!) USER MOD Single : A 20 LYS NZ :NH3+ -133:sc= 0.0845 (180deg=-1.18) USER MOD Single : A 23 TYR OH : rot 165:sc= -1.33 USER MOD Single : A 24 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 28 ASN : amide:sc= -6.74! C(o=-6.7!,f=-13!) USER MOD Single : A 29 HIS : no HE2:sc= -2.47! C(o=-2.5!,f=-2.9!) USER MOD Single : A 30 TYR OH : rot 38:sc= 0.709 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -43:sc= 0.0548 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0383 (180deg=-0.286) USER MOD Single : A 44 GLN : amide:sc= -3.75! C(o=-3.8!,f=-2.3!) USER MOD Single : A 45 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.13) USER MOD Single : A 48 THR OG1 : rot 179:sc= -0.473 USER MOD Single : A 58 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.25) USER MOD Single : A 62 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.16) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.7 K(o=-1.7,f=-10!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.341 USER MOD Single : A 77 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.3) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.779 K(o=-0.78,f=-7.1!) USER MOD Single : A 85 CYS SG : rot 68:sc= 0.269 USER MOD Single : A 87 ASN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.145) USER MOD Single : A 100 SER OG : rot 18:sc= 0.27 USER MOD Single : A 106 ASN : amide:sc= 0.00642 X(o=0.0064,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.058) USER MOD Single : A 110 LYS NZ :NH3+ 128:sc= -2.55! (180deg=-3.24!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 1.851 16.896 -5.814 1.00 0.00 N ATOM 202 CA GLY A 15 1.228 17.252 -4.552 1.00 0.00 C ATOM 203 C GLY A 15 0.692 16.045 -3.809 1.00 0.00 C ATOM 204 O GLY A 15 0.489 14.983 -4.400 1.00 0.00 O ATOM 0 HA2 GLY A 15 1.955 17.768 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.413 17.952 -4.737 1.00 0.00 H new ATOM 208 N LEU A 16 0.462 16.205 -2.511 1.00 0.00 N ATOM 209 CA LEU A 16 -0.053 15.119 -1.685 1.00 0.00 C ATOM 210 C LEU A 16 -1.037 14.258 -2.470 1.00 0.00 C ATOM 211 O LEU A 16 -0.853 13.047 -2.597 1.00 0.00 O ATOM 212 CB LEU A 16 -0.733 15.680 -0.435 1.00 0.00 C ATOM 213 CG LEU A 16 0.199 16.211 0.655 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.581 17.029 1.672 1.00 0.00 C ATOM 215 CD2 LEU A 16 0.930 15.065 1.337 1.00 0.00 C ATOM 0 H LEU A 16 0.624 17.077 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 16 0.788 14.495 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.400 16.487 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.356 14.897 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 16 0.940 16.860 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.099 17.399 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.057 17.873 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.344 16.403 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.589 15.462 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.205 14.389 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.521 14.521 0.600 1.00 0.00 H new ATOM 227 N GLU A 17 -2.081 14.891 -2.996 1.00 0.00 N ATOM 228 CA GLU A 17 -3.093 14.182 -3.770 1.00 0.00 C ATOM 229 C GLU A 17 -2.456 13.418 -4.928 1.00 0.00 C ATOM 230 O GLU A 17 -2.783 12.257 -5.173 1.00 0.00 O ATOM 231 CB GLU A 17 -4.138 15.163 -4.305 1.00 0.00 C ATOM 232 CG GLU A 17 -3.537 16.359 -5.026 1.00 0.00 C ATOM 233 CD GLU A 17 -4.567 17.424 -5.347 1.00 0.00 C ATOM 234 OE1 GLU A 17 -5.541 17.559 -4.577 1.00 0.00 O ATOM 235 OE2 GLU A 17 -4.400 18.123 -6.368 1.00 0.00 O ATOM 0 H GLU A 17 -2.248 15.893 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.582 13.466 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.804 14.635 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.749 15.519 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.751 16.793 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.067 16.023 -5.950 1.00 0.00 H new ATOM 242 N ASP A 18 -1.547 14.079 -5.635 1.00 0.00 N ATOM 243 CA ASP A 18 -0.863 13.463 -6.767 1.00 0.00 C ATOM 244 C ASP A 18 -0.128 12.199 -6.335 1.00 0.00 C ATOM 245 O ASP A 18 -0.073 11.218 -7.076 1.00 0.00 O ATOM 246 CB ASP A 18 0.120 14.451 -7.395 1.00 0.00 C ATOM 247 CG ASP A 18 -0.521 15.300 -8.476 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.681 14.797 -9.607 1.00 0.00 O ATOM 249 OD2 ASP A 18 -0.862 16.467 -8.190 1.00 0.00 O ATOM 0 H ASP A 18 -1.266 15.041 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.614 13.189 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.523 15.101 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.961 13.902 -7.819 1.00 0.00 H new ATOM 254 N GLN A 19 0.437 12.230 -5.132 1.00 0.00 N ATOM 255 CA GLN A 19 1.171 11.087 -4.603 1.00 0.00 C ATOM 256 C GLN A 19 0.271 9.860 -4.505 1.00 0.00 C ATOM 257 O GLN A 19 0.656 8.761 -4.904 1.00 0.00 O ATOM 258 CB GLN A 19 1.752 11.419 -3.228 1.00 0.00 C ATOM 259 CG GLN A 19 2.538 12.720 -3.197 1.00 0.00 C ATOM 260 CD GLN A 19 3.191 12.976 -1.853 1.00 0.00 C ATOM 261 OE1 GLN A 19 2.528 12.966 -0.816 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.499 13.207 -1.864 1.00 0.00 N ATOM 0 H GLN A 19 0.400 13.034 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 19 1.987 10.862 -5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.939 11.478 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.402 10.604 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.306 12.695 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.871 13.548 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.010 13.206 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.993 13.385 -0.989 1.00 0.00 H new ATOM 271 N LYS A 20 -0.930 10.055 -3.972 1.00 0.00 N ATOM 272 CA LYS A 20 -1.887 8.965 -3.822 1.00 0.00 C ATOM 273 C LYS A 20 -1.911 8.086 -5.068 1.00 0.00 C ATOM 274 O LYS A 20 -1.897 6.859 -4.974 1.00 0.00 O ATOM 275 CB LYS A 20 -3.287 9.522 -3.550 1.00 0.00 C ATOM 276 CG LYS A 20 -4.382 8.471 -3.611 1.00 0.00 C ATOM 277 CD LYS A 20 -5.724 9.084 -3.973 1.00 0.00 C ATOM 278 CE LYS A 20 -6.855 8.079 -3.820 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.123 8.574 -4.425 1.00 0.00 N ATOM 0 H LYS A 20 -1.264 10.958 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.574 8.354 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.298 9.989 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.505 10.305 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.118 7.711 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.459 7.968 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.915 9.948 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.694 9.446 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.571 7.138 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.015 7.870 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.907 8.424 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.035 9.589 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.313 8.055 -5.306 1.00 0.00 H new ATOM 293 N ARG A 21 -1.945 8.722 -6.235 1.00 0.00 N ATOM 294 CA ARG A 21 -1.970 7.998 -7.499 1.00 0.00 C ATOM 295 C ARG A 21 -0.663 7.242 -7.719 1.00 0.00 C ATOM 296 O ARG A 21 -0.665 6.033 -7.949 1.00 0.00 O ATOM 297 CB ARG A 21 -2.215 8.964 -8.660 1.00 0.00 C ATOM 298 CG ARG A 21 -2.731 8.285 -9.919 1.00 0.00 C ATOM 299 CD ARG A 21 -3.449 9.270 -10.828 1.00 0.00 C ATOM 300 NE ARG A 21 -2.515 10.115 -11.566 1.00 0.00 N ATOM 301 CZ ARG A 21 -2.886 10.967 -12.516 1.00 0.00 C ATOM 302 NH1 ARG A 21 -4.166 11.086 -12.840 1.00 0.00 N ATOM 303 NH2 ARG A 21 -1.976 11.702 -13.143 1.00 0.00 N ATOM 0 H ARG A 21 -1.956 9.737 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.785 7.275 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.933 9.722 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.285 9.483 -8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.898 7.832 -10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.411 7.478 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.076 8.723 -11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.111 9.897 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.523 10.048 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.868 10.523 -12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.449 11.741 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.990 11.613 -12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.262 12.355 -13.872 1.00 0.00 H new ATOM 317 N ILE A 22 0.450 7.964 -7.648 1.00 0.00 N ATOM 318 CA ILE A 22 1.764 7.362 -7.839 1.00 0.00 C ATOM 319 C ILE A 22 1.836 5.984 -7.190 1.00 0.00 C ATOM 320 O ILE A 22 2.204 5.001 -7.834 1.00 0.00 O ATOM 321 CB ILE A 22 2.880 8.250 -7.258 1.00 0.00 C ATOM 322 CG1 ILE A 22 2.922 9.595 -7.986 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.224 7.544 -7.359 1.00 0.00 C ATOM 324 CD1 ILE A 22 3.796 10.624 -7.303 1.00 0.00 C ATOM 0 H ILE A 22 0.468 8.966 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 22 1.913 7.263 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 22 2.667 8.435 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.285 9.438 -9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.908 9.987 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.003 8.184 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.187 6.609 -6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.446 7.333 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.779 11.552 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.421 10.810 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.819 10.252 -7.246 1.00 0.00 H new ATOM 336 N TYR A 23 1.482 5.919 -5.911 1.00 0.00 N ATOM 337 CA TYR A 23 1.507 4.661 -5.174 1.00 0.00 C ATOM 338 C TYR A 23 0.505 3.668 -5.757 1.00 0.00 C ATOM 339 O TYR A 23 0.840 2.513 -6.021 1.00 0.00 O ATOM 340 CB TYR A 23 1.198 4.906 -3.696 1.00 0.00 C ATOM 341 CG TYR A 23 2.252 5.725 -2.986 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.585 5.333 -2.989 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.914 6.892 -2.310 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.550 6.078 -2.340 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.873 7.644 -1.661 1.00 0.00 C ATOM 346 CZ TYR A 23 4.190 7.233 -1.678 1.00 0.00 C ATOM 347 OH TYR A 23 5.148 7.979 -1.031 1.00 0.00 O ATOM 0 H TYR A 23 1.174 6.723 -5.363 1.00 0.00 H new ATOM 0 HA TYR A 23 2.507 4.236 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.238 5.415 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.094 3.946 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.871 4.430 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.884 7.216 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.581 5.758 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.594 8.549 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 23 4.787 8.866 -0.824 1.00 0.00 H new ATOM 357 N THR A 24 -0.726 4.127 -5.955 1.00 0.00 N ATOM 358 CA THR A 24 -1.778 3.281 -6.505 1.00 0.00 C ATOM 359 C THR A 24 -1.260 2.450 -7.673 1.00 0.00 C ATOM 360 O THR A 24 -1.275 1.220 -7.627 1.00 0.00 O ATOM 361 CB THR A 24 -2.982 4.118 -6.979 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.544 4.836 -5.875 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.044 3.230 -7.608 1.00 0.00 C ATOM 0 H THR A 24 -1.020 5.080 -5.743 1.00 0.00 H new ATOM 0 HA THR A 24 -2.100 2.616 -5.704 1.00 0.00 H new ATOM 0 HB THR A 24 -2.632 4.825 -7.731 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.937 5.560 -5.613 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.884 3.843 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.620 2.708 -8.466 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.390 2.502 -6.875 1.00 0.00 H new ATOM 371 N ASP A 25 -0.802 3.129 -8.719 1.00 0.00 N ATOM 372 CA ASP A 25 -0.278 2.453 -9.900 1.00 0.00 C ATOM 373 C ASP A 25 0.800 1.444 -9.514 1.00 0.00 C ATOM 374 O ASP A 25 0.800 0.309 -9.991 1.00 0.00 O ATOM 375 CB ASP A 25 0.291 3.472 -10.888 1.00 0.00 C ATOM 376 CG ASP A 25 0.875 2.817 -12.124 1.00 0.00 C ATOM 377 OD1 ASP A 25 1.474 1.729 -11.992 1.00 0.00 O ATOM 378 OD2 ASP A 25 0.732 3.392 -13.223 1.00 0.00 O ATOM 0 H ASP A 25 -0.783 4.147 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.099 1.917 -10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.497 4.164 -11.185 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.063 4.061 -10.393 1.00 0.00 H new ATOM 383 N TRP A 26 1.715 1.865 -8.649 1.00 0.00 N ATOM 384 CA TRP A 26 2.799 0.999 -8.201 1.00 0.00 C ATOM 385 C TRP A 26 2.254 -0.319 -7.662 1.00 0.00 C ATOM 386 O TRP A 26 2.694 -1.395 -8.067 1.00 0.00 O ATOM 387 CB TRP A 26 3.628 1.701 -7.124 1.00 0.00 C ATOM 388 CG TRP A 26 4.684 0.824 -6.522 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.869 0.458 -7.093 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.648 0.201 -5.233 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.573 -0.354 -6.236 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.846 -0.527 -5.089 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.722 0.188 -4.187 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.138 -1.258 -3.940 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.014 -0.539 -3.048 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.213 -1.253 -2.932 1.00 0.00 C ATOM 0 H TRP A 26 1.728 2.801 -8.244 1.00 0.00 H new ATOM 0 HA TRP A 26 3.437 0.784 -9.058 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.101 2.582 -7.557 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.963 2.051 -6.334 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.204 0.762 -8.074 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.489 -0.762 -6.424 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.795 0.736 -4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.062 -1.809 -3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.305 -0.557 -2.233 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.411 -1.811 -2.029 1.00 0.00 H new ATOM 407 N ALA A 27 1.295 -0.228 -6.747 1.00 0.00 N ATOM 408 CA ALA A 27 0.689 -1.415 -6.154 1.00 0.00 C ATOM 409 C ALA A 27 -0.053 -2.234 -7.204 1.00 0.00 C ATOM 410 O ALA A 27 0.074 -3.457 -7.255 1.00 0.00 O ATOM 411 CB ALA A 27 -0.254 -1.019 -5.027 1.00 0.00 C ATOM 0 H ALA A 27 0.921 0.655 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 27 1.487 -2.035 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.699 -1.915 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.302 -0.482 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.042 -0.376 -5.420 1.00 0.00 H new ATOM 417 N ASN A 28 -0.829 -1.553 -8.041 1.00 0.00 N ATOM 418 CA ASN A 28 -1.593 -2.219 -9.090 1.00 0.00 C ATOM 419 C ASN A 28 -0.751 -3.286 -9.781 1.00 0.00 C ATOM 420 O ASN A 28 -1.151 -4.448 -9.868 1.00 0.00 O ATOM 421 CB ASN A 28 -2.087 -1.198 -10.117 1.00 0.00 C ATOM 422 CG ASN A 28 -3.432 -0.606 -9.743 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.406 -0.732 -10.486 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.491 0.044 -8.587 1.00 0.00 N ATOM 0 H ASN A 28 -0.945 -0.540 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.453 -2.703 -8.627 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.354 -0.397 -10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.163 -1.676 -11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.369 0.464 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.658 0.123 -8.003 1.00 0.00 H new ATOM 431 N HIS A 29 0.417 -2.885 -10.272 1.00 0.00 N ATOM 432 CA HIS A 29 1.317 -3.807 -10.956 1.00 0.00 C ATOM 433 C HIS A 29 1.373 -5.149 -10.231 1.00 0.00 C ATOM 434 O HIS A 29 1.181 -6.202 -10.838 1.00 0.00 O ATOM 435 CB HIS A 29 2.720 -3.207 -11.052 1.00 0.00 C ATOM 436 CG HIS A 29 3.808 -4.235 -11.107 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.698 -5.410 -11.818 1.00 0.00 N ATOM 438 CD2 HIS A 29 5.035 -4.257 -10.534 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.809 -6.112 -11.680 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.637 -5.434 -10.905 1.00 0.00 N ATOM 0 H HIS A 29 0.763 -1.927 -10.209 1.00 0.00 H new ATOM 0 HA HIS A 29 0.932 -3.973 -11.962 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.778 -2.580 -11.942 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.888 -2.557 -10.193 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.886 -5.694 -12.366 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.461 -3.491 -9.903 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.007 -7.076 -12.125 1.00 0.00 H new ATOM 449 N TYR A 30 1.638 -5.102 -8.930 1.00 0.00 N ATOM 450 CA TYR A 30 1.723 -6.314 -8.123 1.00 0.00 C ATOM 451 C TYR A 30 0.424 -7.110 -8.199 1.00 0.00 C ATOM 452 O TYR A 30 0.432 -8.340 -8.135 1.00 0.00 O ATOM 453 CB TYR A 30 2.035 -5.961 -6.668 1.00 0.00 C ATOM 454 CG TYR A 30 3.377 -5.292 -6.481 1.00 0.00 C ATOM 455 CD1 TYR A 30 3.502 -3.910 -6.551 1.00 0.00 C ATOM 456 CD2 TYR A 30 4.521 -6.041 -6.232 1.00 0.00 C ATOM 457 CE1 TYR A 30 4.727 -3.294 -6.382 1.00 0.00 C ATOM 458 CE2 TYR A 30 5.749 -5.434 -6.060 1.00 0.00 C ATOM 459 CZ TYR A 30 5.848 -4.060 -6.136 1.00 0.00 C ATOM 460 OH TYR A 30 7.069 -3.450 -5.965 1.00 0.00 O ATOM 0 H TYR A 30 1.798 -4.238 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 30 2.529 -6.931 -8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.254 -5.302 -6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.005 -6.871 -6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.626 -3.307 -6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.448 -7.117 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.807 -2.219 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.628 -6.032 -5.867 1.00 0.00 H new ATOM 0 HH TYR A 30 6.951 -2.616 -5.464 1.00 0.00 H new ATOM 470 N LEU A 31 -0.690 -6.400 -8.335 1.00 0.00 N ATOM 471 CA LEU A 31 -1.999 -7.039 -8.421 1.00 0.00 C ATOM 472 C LEU A 31 -2.213 -7.661 -9.797 1.00 0.00 C ATOM 473 O LEU A 31 -2.520 -8.847 -9.913 1.00 0.00 O ATOM 474 CB LEU A 31 -3.105 -6.023 -8.130 1.00 0.00 C ATOM 475 CG LEU A 31 -3.356 -5.709 -6.655 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.551 -4.780 -6.504 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.573 -6.991 -5.865 1.00 0.00 C ATOM 0 H LEU A 31 -0.714 -5.382 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.038 -7.832 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.860 -5.093 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.034 -6.392 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.476 -5.205 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.715 -4.567 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.357 -3.849 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.438 -5.258 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.750 -6.747 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.436 -7.523 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.688 -7.622 -5.946 1.00 0.00 H new ATOM 489 N ALA A 32 -2.046 -6.852 -10.838 1.00 0.00 N ATOM 490 CA ALA A 32 -2.216 -7.323 -12.207 1.00 0.00 C ATOM 491 C ALA A 32 -1.256 -8.467 -12.517 1.00 0.00 C ATOM 492 O ALA A 32 -1.609 -9.414 -13.221 1.00 0.00 O ATOM 493 CB ALA A 32 -2.011 -6.179 -13.189 1.00 0.00 C ATOM 0 H ALA A 32 -1.793 -5.867 -10.759 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.234 -7.699 -12.312 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.141 -6.546 -14.207 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.740 -5.394 -12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.004 -5.777 -13.074 1.00 0.00 H new ATOM 499 N LYS A 33 -0.041 -8.373 -11.989 1.00 0.00 N ATOM 500 CA LYS A 33 0.971 -9.400 -12.208 1.00 0.00 C ATOM 501 C LYS A 33 0.623 -10.677 -11.451 1.00 0.00 C ATOM 502 O LYS A 33 0.949 -11.780 -11.892 1.00 0.00 O ATOM 503 CB LYS A 33 2.346 -8.892 -11.768 1.00 0.00 C ATOM 504 CG LYS A 33 2.672 -9.201 -10.317 1.00 0.00 C ATOM 505 CD LYS A 33 4.102 -8.817 -9.973 1.00 0.00 C ATOM 506 CE LYS A 33 4.551 -9.455 -8.667 1.00 0.00 C ATOM 507 NZ LYS A 33 6.030 -9.397 -8.502 1.00 0.00 N ATOM 0 H LYS A 33 0.268 -7.595 -11.406 1.00 0.00 H new ATOM 0 HA LYS A 33 0.998 -9.627 -13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.110 -9.337 -12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.392 -7.814 -11.920 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.983 -8.663 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.524 -10.264 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.767 -9.128 -10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.180 -7.733 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.072 -8.946 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.223 -10.494 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.296 -9.842 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.487 -9.904 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.341 -8.405 -8.504 1.00 0.00 H new ATOM 521 N SER A 34 -0.042 -10.522 -10.311 1.00 0.00 N ATOM 522 CA SER A 34 -0.433 -11.663 -9.492 1.00 0.00 C ATOM 523 C SER A 34 -1.766 -12.238 -9.961 1.00 0.00 C ATOM 524 O SER A 34 -2.250 -13.232 -9.423 1.00 0.00 O ATOM 525 CB SER A 34 -0.531 -11.253 -8.021 1.00 0.00 C ATOM 526 OG SER A 34 -0.443 -12.382 -7.170 1.00 0.00 O ATOM 0 H SER A 34 -0.321 -9.617 -9.933 1.00 0.00 H new ATOM 0 HA SER A 34 0.332 -12.432 -9.597 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.267 -10.551 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.474 -10.735 -7.847 1.00 0.00 H new ATOM 0 HG SER A 34 -0.983 -13.112 -7.538 1.00 0.00 H new ATOM 532 N GLY A 35 -2.354 -11.603 -10.971 1.00 0.00 N ATOM 533 CA GLY A 35 -3.626 -12.064 -11.497 1.00 0.00 C ATOM 534 C GLY A 35 -4.806 -11.543 -10.701 1.00 0.00 C ATOM 535 O GLY A 35 -5.485 -12.305 -10.012 1.00 0.00 O ATOM 0 H GLY A 35 -1.972 -10.778 -11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.723 -11.746 -12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.643 -13.154 -11.495 1.00 0.00 H new ATOM 539 N HIS A 36 -5.050 -10.240 -10.793 1.00 0.00 N ATOM 540 CA HIS A 36 -6.156 -9.617 -10.074 1.00 0.00 C ATOM 541 C HIS A 36 -7.022 -8.791 -11.021 1.00 0.00 C ATOM 542 O HIS A 36 -6.511 -8.078 -11.884 1.00 0.00 O ATOM 543 CB HIS A 36 -5.625 -8.731 -8.947 1.00 0.00 C ATOM 544 CG HIS A 36 -5.493 -9.444 -7.636 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.392 -9.291 -6.602 1.00 0.00 N ATOM 546 CD2 HIS A 36 -4.561 -10.320 -7.195 1.00 0.00 C ATOM 547 CE1 HIS A 36 -6.018 -10.040 -5.581 1.00 0.00 C ATOM 548 NE2 HIS A 36 -4.909 -10.676 -5.915 1.00 0.00 N ATOM 0 H HIS A 36 -4.497 -9.595 -11.358 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.770 -10.409 -9.645 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.651 -8.335 -9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.292 -7.878 -8.822 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.703 -10.674 -7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.531 -10.119 -4.634 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.395 -11.325 -5.319 1.00 0.00 H new ATOM 557 N LYS A 37 -8.337 -8.893 -10.853 1.00 0.00 N ATOM 558 CA LYS A 37 -9.275 -8.156 -11.691 1.00 0.00 C ATOM 559 C LYS A 37 -9.668 -6.835 -11.036 1.00 0.00 C ATOM 560 O LYS A 37 -10.022 -5.875 -11.719 1.00 0.00 O ATOM 561 CB LYS A 37 -10.525 -8.998 -11.955 1.00 0.00 C ATOM 562 CG LYS A 37 -10.343 -10.029 -13.056 1.00 0.00 C ATOM 563 CD LYS A 37 -11.618 -10.819 -13.297 1.00 0.00 C ATOM 564 CE LYS A 37 -12.679 -9.968 -13.979 1.00 0.00 C ATOM 565 NZ LYS A 37 -12.284 -9.593 -15.364 1.00 0.00 N ATOM 0 H LYS A 37 -8.777 -9.479 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.783 -7.939 -12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.810 -9.508 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.349 -8.336 -12.221 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.044 -9.529 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.537 -10.711 -12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.397 -11.690 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.003 -11.190 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.621 -10.515 -14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.852 -9.065 -13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.122 -9.273 -15.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.583 -8.826 -15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.870 -10.418 -15.843 1.00 0.00 H new ATOM 579 N ARG A 38 -9.601 -6.795 -9.709 1.00 0.00 N ATOM 580 CA ARG A 38 -9.950 -5.592 -8.963 1.00 0.00 C ATOM 581 C ARG A 38 -8.708 -4.753 -8.674 1.00 0.00 C ATOM 582 O ARG A 38 -7.795 -5.196 -7.976 1.00 0.00 O ATOM 583 CB ARG A 38 -10.645 -5.963 -7.652 1.00 0.00 C ATOM 584 CG ARG A 38 -10.910 -4.772 -6.745 1.00 0.00 C ATOM 585 CD ARG A 38 -10.893 -5.174 -5.279 1.00 0.00 C ATOM 586 NE ARG A 38 -12.174 -5.726 -4.847 1.00 0.00 N ATOM 587 CZ ARG A 38 -12.333 -6.429 -3.732 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.296 -6.665 -2.939 1.00 0.00 N ATOM 589 NH2 ARG A 38 -13.531 -6.898 -3.406 1.00 0.00 N ATOM 0 H ARG A 38 -9.308 -7.581 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.633 -5.001 -9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.591 -6.454 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.030 -6.687 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.157 -4.004 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.877 -4.333 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.107 -5.911 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.648 -4.305 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.992 -5.562 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.374 -6.306 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.421 -7.205 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.331 -6.719 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.651 -7.438 -2.549 1.00 0.00 H new ATOM 603 N LEU A 39 -8.682 -3.540 -9.214 1.00 0.00 N ATOM 604 CA LEU A 39 -7.552 -2.638 -9.015 1.00 0.00 C ATOM 605 C LEU A 39 -7.797 -1.713 -7.827 1.00 0.00 C ATOM 606 O LEU A 39 -8.867 -1.740 -7.217 1.00 0.00 O ATOM 607 CB LEU A 39 -7.306 -1.810 -10.277 1.00 0.00 C ATOM 608 CG LEU A 39 -6.680 -2.556 -11.457 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.561 -1.640 -12.665 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.317 -3.113 -11.072 1.00 0.00 C ATOM 0 H LEU A 39 -9.430 -3.158 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.669 -3.242 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.257 -1.389 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.659 -0.972 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.330 -3.390 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.114 -2.188 -13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.551 -1.289 -12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.932 -0.786 -12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.886 -3.641 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.658 -2.295 -10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.429 -3.803 -10.236 1.00 0.00 H new ATOM 622 N ILE A 40 -6.801 -0.894 -7.506 1.00 0.00 N ATOM 623 CA ILE A 40 -6.910 0.041 -6.393 1.00 0.00 C ATOM 624 C ILE A 40 -7.414 1.401 -6.865 1.00 0.00 C ATOM 625 O ILE A 40 -6.635 2.239 -7.318 1.00 0.00 O ATOM 626 CB ILE A 40 -5.558 0.226 -5.679 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.115 -1.087 -5.031 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.657 1.331 -4.637 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.657 -1.099 -4.627 1.00 0.00 C ATOM 0 H ILE A 40 -5.910 -0.859 -8.001 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.627 -0.386 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.810 0.515 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.729 -1.274 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.298 -1.906 -5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.694 1.450 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.933 2.266 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.415 1.069 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.413 -2.060 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.034 -0.944 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.472 -0.302 -3.907 1.00 0.00 H new ATOM 641 N ARG A 41 -8.721 1.612 -6.755 1.00 0.00 N ATOM 642 CA ARG A 41 -9.329 2.871 -7.170 1.00 0.00 C ATOM 643 C ARG A 41 -8.920 4.006 -6.236 1.00 0.00 C ATOM 644 O ARG A 41 -8.285 4.972 -6.659 1.00 0.00 O ATOM 645 CB ARG A 41 -10.853 2.741 -7.196 1.00 0.00 C ATOM 646 CG ARG A 41 -11.360 1.700 -8.180 1.00 0.00 C ATOM 647 CD ARG A 41 -12.860 1.491 -8.048 1.00 0.00 C ATOM 648 NE ARG A 41 -13.207 0.769 -6.827 1.00 0.00 N ATOM 649 CZ ARG A 41 -14.401 0.232 -6.604 1.00 0.00 C ATOM 650 NH1 ARG A 41 -15.358 0.335 -7.516 1.00 0.00 N ATOM 651 NH2 ARG A 41 -14.640 -0.409 -5.468 1.00 0.00 N ATOM 0 H ARG A 41 -9.379 0.928 -6.382 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.974 3.104 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.204 2.485 -6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.287 3.708 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.124 2.014 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.844 0.755 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.362 2.458 -8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.226 0.938 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.493 0.672 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.178 0.827 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.274 -0.078 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.906 -0.490 -4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.558 -0.821 -5.298 1.00 0.00 H new ATOM 665 N ASP A 42 -9.289 3.882 -4.966 1.00 0.00 N ATOM 666 CA ASP A 42 -8.960 4.898 -3.972 1.00 0.00 C ATOM 667 C ASP A 42 -8.011 4.338 -2.917 1.00 0.00 C ATOM 668 O ASP A 42 -8.435 3.648 -1.989 1.00 0.00 O ATOM 669 CB ASP A 42 -10.233 5.420 -3.305 1.00 0.00 C ATOM 670 CG ASP A 42 -10.827 6.606 -4.040 1.00 0.00 C ATOM 671 OD1 ASP A 42 -11.139 6.464 -5.241 1.00 0.00 O ATOM 672 OD2 ASP A 42 -10.981 7.675 -3.414 1.00 0.00 O ATOM 0 H ASP A 42 -9.816 3.089 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.462 5.723 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.970 4.619 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.010 5.708 -2.278 1.00 0.00 H new ATOM 677 N LEU A 43 -6.725 4.638 -3.066 1.00 0.00 N ATOM 678 CA LEU A 43 -5.715 4.164 -2.127 1.00 0.00 C ATOM 679 C LEU A 43 -6.280 4.087 -0.712 1.00 0.00 C ATOM 680 O LEU A 43 -6.303 3.019 -0.101 1.00 0.00 O ATOM 681 CB LEU A 43 -4.495 5.087 -2.151 1.00 0.00 C ATOM 682 CG LEU A 43 -3.221 4.531 -1.514 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.628 3.430 -2.380 1.00 0.00 C ATOM 684 CD2 LEU A 43 -2.206 5.643 -1.294 1.00 0.00 C ATOM 0 H LEU A 43 -6.358 5.207 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.412 3.163 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.277 5.342 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.756 6.015 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.479 4.104 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.722 3.046 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.351 2.622 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.385 3.832 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.306 5.229 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.953 6.099 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.631 6.398 -0.633 1.00 0.00 H new ATOM 696 N GLN A 44 -6.737 5.225 -0.200 1.00 0.00 N ATOM 697 CA GLN A 44 -7.304 5.285 1.142 1.00 0.00 C ATOM 698 C GLN A 44 -8.318 4.167 1.355 1.00 0.00 C ATOM 699 O GLN A 44 -8.321 3.509 2.395 1.00 0.00 O ATOM 700 CB GLN A 44 -7.967 6.643 1.378 1.00 0.00 C ATOM 701 CG GLN A 44 -6.995 7.811 1.330 1.00 0.00 C ATOM 702 CD GLN A 44 -7.677 9.124 0.998 1.00 0.00 C ATOM 703 OE1 GLN A 44 -8.610 9.167 0.196 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.213 10.205 1.616 1.00 0.00 N ATOM 0 H GLN A 44 -6.726 6.117 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.492 5.156 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.742 6.795 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.462 6.633 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.492 7.900 2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.225 7.608 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.437 10.123 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.632 11.117 1.433 1.00 0.00 H new ATOM 713 N GLN A 45 -9.178 3.958 0.363 1.00 0.00 N ATOM 714 CA GLN A 45 -10.198 2.919 0.443 1.00 0.00 C ATOM 715 C GLN A 45 -9.596 1.543 0.180 1.00 0.00 C ATOM 716 O GLN A 45 -10.171 0.521 0.555 1.00 0.00 O ATOM 717 CB GLN A 45 -11.320 3.198 -0.559 1.00 0.00 C ATOM 718 CG GLN A 45 -12.370 4.168 -0.042 1.00 0.00 C ATOM 719 CD GLN A 45 -13.275 3.546 1.004 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.140 3.817 2.198 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.203 2.708 0.560 1.00 0.00 N ATOM 0 H GLN A 45 -9.189 4.494 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.611 2.928 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.886 3.599 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.804 2.257 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.875 5.040 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.975 4.521 -0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.278 2.513 -0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.841 2.259 1.217 1.00 0.00 H new ATOM 730 N ASP A 46 -8.436 1.524 -0.467 1.00 0.00 N ATOM 731 CA ASP A 46 -7.755 0.273 -0.781 1.00 0.00 C ATOM 732 C ASP A 46 -6.967 -0.233 0.424 1.00 0.00 C ATOM 733 O ASP A 46 -6.412 -1.331 0.399 1.00 0.00 O ATOM 734 CB ASP A 46 -6.819 0.463 -1.975 1.00 0.00 C ATOM 735 CG ASP A 46 -5.615 -0.457 -1.919 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.810 -1.691 -1.914 1.00 0.00 O ATOM 737 OD2 ASP A 46 -4.478 0.057 -1.880 1.00 0.00 O ATOM 0 H ASP A 46 -7.947 2.361 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.511 -0.470 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.370 0.280 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.480 1.499 -2.006 1.00 0.00 H new ATOM 742 N VAL A 47 -6.921 0.577 1.477 1.00 0.00 N ATOM 743 CA VAL A 47 -6.201 0.211 2.691 1.00 0.00 C ATOM 744 C VAL A 47 -7.114 0.271 3.911 1.00 0.00 C ATOM 745 O VAL A 47 -6.850 -0.367 4.930 1.00 0.00 O ATOM 746 CB VAL A 47 -4.990 1.134 2.925 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.041 1.081 1.737 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.451 2.560 3.187 1.00 0.00 C ATOM 0 H VAL A 47 -7.374 1.490 1.514 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.849 -0.811 2.554 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.451 0.783 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.192 1.739 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.686 0.060 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.565 1.406 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.583 3.199 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.013 2.924 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.088 2.580 4.072 1.00 0.00 H new ATOM 758 N THR A 48 -8.192 1.041 3.799 1.00 0.00 N ATOM 759 CA THR A 48 -9.145 1.185 4.893 1.00 0.00 C ATOM 760 C THR A 48 -9.537 -0.173 5.463 1.00 0.00 C ATOM 761 O THR A 48 -9.584 -0.356 6.679 1.00 0.00 O ATOM 762 CB THR A 48 -10.417 1.924 4.435 1.00 0.00 C ATOM 763 OG1 THR A 48 -10.873 1.388 3.188 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.153 3.414 4.286 1.00 0.00 C ATOM 0 H THR A 48 -8.427 1.574 2.962 1.00 0.00 H new ATOM 0 HA THR A 48 -8.651 1.772 5.668 1.00 0.00 H new ATOM 0 HB THR A 48 -11.186 1.782 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.692 1.851 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.065 3.915 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.835 3.825 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.369 3.572 3.545 1.00 0.00 H new ATOM 772 N ASP A 49 -9.816 -1.123 4.577 1.00 0.00 N ATOM 773 CA ASP A 49 -10.202 -2.466 4.993 1.00 0.00 C ATOM 774 C ASP A 49 -8.974 -3.302 5.341 1.00 0.00 C ATOM 775 O ASP A 49 -9.037 -4.195 6.184 1.00 0.00 O ATOM 776 CB ASP A 49 -11.006 -3.154 3.888 1.00 0.00 C ATOM 777 CG ASP A 49 -10.326 -3.063 2.535 1.00 0.00 C ATOM 778 OD1 ASP A 49 -9.369 -3.830 2.300 1.00 0.00 O ATOM 779 OD2 ASP A 49 -10.751 -2.224 1.713 1.00 0.00 O ATOM 0 H ASP A 49 -9.782 -0.988 3.567 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.824 -2.379 5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.152 -4.202 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.995 -2.700 3.826 1.00 0.00 H new ATOM 784 N GLY A 50 -7.857 -3.005 4.683 1.00 0.00 N ATOM 785 CA GLY A 50 -6.631 -3.738 4.936 1.00 0.00 C ATOM 786 C GLY A 50 -6.515 -4.986 4.083 1.00 0.00 C ATOM 787 O GLY A 50 -5.411 -5.435 3.774 1.00 0.00 O ATOM 0 H GLY A 50 -7.780 -2.270 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.777 -3.089 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.588 -4.016 5.989 1.00 0.00 H new ATOM 791 N VAL A 51 -7.657 -5.549 3.702 1.00 0.00 N ATOM 792 CA VAL A 51 -7.679 -6.753 2.879 1.00 0.00 C ATOM 793 C VAL A 51 -6.907 -6.546 1.581 1.00 0.00 C ATOM 794 O VAL A 51 -5.875 -7.177 1.353 1.00 0.00 O ATOM 795 CB VAL A 51 -9.122 -7.177 2.544 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.124 -8.436 1.691 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.925 -7.385 3.819 1.00 0.00 C ATOM 0 H VAL A 51 -8.579 -5.191 3.950 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.202 -7.542 3.460 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.594 -6.379 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.152 -8.720 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.587 -8.247 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.635 -9.245 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.942 -7.684 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.457 -8.165 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.952 -6.455 4.388 1.00 0.00 H new ATOM 807 N LEU A 52 -7.414 -5.657 0.733 1.00 0.00 N ATOM 808 CA LEU A 52 -6.771 -5.366 -0.544 1.00 0.00 C ATOM 809 C LEU A 52 -5.336 -4.894 -0.336 1.00 0.00 C ATOM 810 O LEU A 52 -4.447 -5.205 -1.131 1.00 0.00 O ATOM 811 CB LEU A 52 -7.564 -4.302 -1.305 1.00 0.00 C ATOM 812 CG LEU A 52 -7.505 -4.385 -2.831 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.346 -3.283 -3.458 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.065 -4.300 -3.314 1.00 0.00 C ATOM 0 H LEU A 52 -8.267 -5.126 0.906 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.750 -6.285 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.608 -4.366 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.202 -3.320 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.914 -5.347 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.292 -3.358 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.382 -3.390 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.967 -2.311 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.042 -4.361 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.629 -3.354 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.491 -5.125 -2.892 1.00 0.00 H new ATOM 826 N LEU A 53 -5.114 -4.145 0.738 1.00 0.00 N ATOM 827 CA LEU A 53 -3.785 -3.632 1.053 1.00 0.00 C ATOM 828 C LEU A 53 -2.776 -4.770 1.171 1.00 0.00 C ATOM 829 O LEU A 53 -1.737 -4.761 0.512 1.00 0.00 O ATOM 830 CB LEU A 53 -3.822 -2.830 2.355 1.00 0.00 C ATOM 831 CG LEU A 53 -2.529 -2.818 3.172 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.351 -2.410 2.301 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.661 -1.883 4.366 1.00 0.00 C ATOM 0 H LEU A 53 -5.837 -3.879 1.406 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.473 -2.977 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.087 -1.800 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.620 -3.228 2.981 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.347 -3.826 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.440 -2.407 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.243 -3.118 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.524 -1.412 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.732 -1.887 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.867 -0.872 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.479 -2.220 5.003 1.00 0.00 H new ATOM 845 N ALA A 54 -3.092 -5.748 2.013 1.00 0.00 N ATOM 846 CA ALA A 54 -2.215 -6.895 2.213 1.00 0.00 C ATOM 847 C ALA A 54 -1.976 -7.639 0.904 1.00 0.00 C ATOM 848 O ALA A 54 -0.851 -8.038 0.603 1.00 0.00 O ATOM 849 CB ALA A 54 -2.804 -7.834 3.256 1.00 0.00 C ATOM 0 H ALA A 54 -3.948 -5.769 2.567 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.254 -6.527 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.139 -8.686 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.917 -7.303 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.779 -8.186 2.919 1.00 0.00 H new ATOM 855 N GLN A 55 -3.041 -7.824 0.130 1.00 0.00 N ATOM 856 CA GLN A 55 -2.946 -8.522 -1.146 1.00 0.00 C ATOM 857 C GLN A 55 -1.673 -8.128 -1.888 1.00 0.00 C ATOM 858 O GLN A 55 -1.043 -8.959 -2.544 1.00 0.00 O ATOM 859 CB GLN A 55 -4.170 -8.216 -2.011 1.00 0.00 C ATOM 860 CG GLN A 55 -5.476 -8.713 -1.415 1.00 0.00 C ATOM 861 CD GLN A 55 -6.557 -8.912 -2.459 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.234 -9.940 -2.481 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.725 -7.925 -3.332 1.00 0.00 N ATOM 0 H GLN A 55 -3.979 -7.500 0.365 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.911 -9.593 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.237 -7.139 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.033 -8.669 -2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.299 -9.656 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.825 -8.000 -0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.141 -7.090 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.438 -8.002 -4.058 1.00 0.00 H new ATOM 872 N ILE A 56 -1.300 -6.857 -1.781 1.00 0.00 N ATOM 873 CA ILE A 56 -0.102 -6.355 -2.441 1.00 0.00 C ATOM 874 C ILE A 56 1.152 -6.706 -1.648 1.00 0.00 C ATOM 875 O ILE A 56 2.096 -7.287 -2.184 1.00 0.00 O ATOM 876 CB ILE A 56 -0.163 -4.828 -2.633 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.154 -4.470 -3.742 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.219 -4.278 -2.952 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.566 -4.251 -3.244 1.00 0.00 C ATOM 0 H ILE A 56 -1.811 -6.156 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.057 -6.835 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.507 -4.374 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.811 -3.567 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.159 -5.268 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.159 -3.198 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.899 -4.505 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.590 -4.736 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.214 -4.001 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.928 -5.161 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.575 -3.433 -2.523 1.00 0.00 H new ATOM 891 N ILE A 57 1.153 -6.353 -0.367 1.00 0.00 N ATOM 892 CA ILE A 57 2.289 -6.634 0.502 1.00 0.00 C ATOM 893 C ILE A 57 2.750 -8.080 0.353 1.00 0.00 C ATOM 894 O ILE A 57 3.938 -8.347 0.178 1.00 0.00 O ATOM 895 CB ILE A 57 1.949 -6.364 1.979 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.460 -4.925 2.158 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.161 -6.630 2.859 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.089 -4.586 3.585 1.00 0.00 C ATOM 0 H ILE A 57 0.380 -5.872 0.092 1.00 0.00 H new ATOM 0 HA ILE A 57 3.094 -5.965 0.196 1.00 0.00 H new ATOM 0 HB ILE A 57 1.149 -7.040 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.239 -4.241 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.593 -4.762 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.905 -6.435 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.469 -7.670 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.980 -5.976 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.751 -3.551 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.289 -5.246 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.959 -4.717 4.228 1.00 0.00 H new ATOM 910 N GLN A 58 1.801 -9.007 0.423 1.00 0.00 N ATOM 911 CA GLN A 58 2.110 -10.427 0.295 1.00 0.00 C ATOM 912 C GLN A 58 2.828 -10.711 -1.019 1.00 0.00 C ATOM 913 O GLN A 58 3.740 -11.537 -1.075 1.00 0.00 O ATOM 914 CB GLN A 58 0.829 -11.259 0.381 1.00 0.00 C ATOM 915 CG GLN A 58 0.167 -11.218 1.749 1.00 0.00 C ATOM 916 CD GLN A 58 -1.166 -11.939 1.774 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.117 -11.488 2.413 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.242 -13.067 1.077 1.00 0.00 N ATOM 0 H GLN A 58 0.812 -8.801 0.567 1.00 0.00 H new ATOM 0 HA GLN A 58 2.771 -10.705 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.122 -10.900 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.060 -12.294 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.833 -11.669 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.020 -10.180 2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.429 -13.404 0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.114 -13.596 1.057 1.00 0.00 H new ATOM 927 N VAL A 59 2.411 -10.023 -2.077 1.00 0.00 N ATOM 928 CA VAL A 59 3.015 -10.201 -3.392 1.00 0.00 C ATOM 929 C VAL A 59 4.400 -9.566 -3.451 1.00 0.00 C ATOM 930 O VAL A 59 5.409 -10.262 -3.567 1.00 0.00 O ATOM 931 CB VAL A 59 2.136 -9.592 -4.501 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.775 -9.802 -5.865 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.738 -10.189 -4.460 1.00 0.00 C ATOM 0 H VAL A 59 1.657 -9.337 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 59 3.103 -11.275 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 59 2.053 -8.519 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.140 -9.365 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.753 -9.322 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.891 -10.870 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.131 -9.748 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.798 -11.267 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.282 -9.981 -3.492 1.00 0.00 H new ATOM 943 N VAL A 60 4.442 -8.240 -3.369 1.00 0.00 N ATOM 944 CA VAL A 60 5.704 -7.511 -3.412 1.00 0.00 C ATOM 945 C VAL A 60 6.692 -8.063 -2.390 1.00 0.00 C ATOM 946 O VAL A 60 7.904 -8.018 -2.597 1.00 0.00 O ATOM 947 CB VAL A 60 5.493 -6.009 -3.147 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.949 -5.785 -1.744 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.792 -5.244 -3.352 1.00 0.00 C ATOM 0 H VAL A 60 3.617 -7.649 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 60 6.112 -7.642 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 60 4.759 -5.632 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.806 -4.718 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.994 -6.300 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.656 -6.177 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.624 -4.184 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.549 -5.622 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.135 -5.377 -4.378 1.00 0.00 H new ATOM 959 N ALA A 61 6.165 -8.583 -1.287 1.00 0.00 N ATOM 960 CA ALA A 61 7.000 -9.146 -0.233 1.00 0.00 C ATOM 961 C ALA A 61 7.191 -10.646 -0.427 1.00 0.00 C ATOM 962 O ALA A 61 8.089 -11.248 0.161 1.00 0.00 O ATOM 963 CB ALA A 61 6.391 -8.861 1.132 1.00 0.00 C ATOM 0 H ALA A 61 5.163 -8.626 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 61 7.980 -8.672 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.025 -9.287 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.313 -7.784 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.398 -9.308 1.188 1.00 0.00 H new ATOM 969 N ASN A 62 6.341 -11.245 -1.254 1.00 0.00 N ATOM 970 CA ASN A 62 6.416 -12.676 -1.524 1.00 0.00 C ATOM 971 C ASN A 62 6.203 -13.482 -0.247 1.00 0.00 C ATOM 972 O ASN A 62 6.865 -14.495 -0.023 1.00 0.00 O ATOM 973 CB ASN A 62 7.769 -13.029 -2.144 1.00 0.00 C ATOM 974 CG ASN A 62 8.064 -12.217 -3.390 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.155 -11.849 -4.135 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.341 -11.933 -3.623 1.00 0.00 N ATOM 0 H ASN A 62 5.592 -10.761 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 62 5.624 -12.930 -2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.557 -12.861 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.786 -14.090 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.601 -11.390 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.062 -12.258 -2.979 1.00 0.00 H new ATOM 983 N GLU A 63 5.274 -13.025 0.587 1.00 0.00 N ATOM 984 CA GLU A 63 4.974 -13.704 1.842 1.00 0.00 C ATOM 985 C GLU A 63 3.477 -13.673 2.134 1.00 0.00 C ATOM 986 O GLU A 63 2.731 -12.901 1.531 1.00 0.00 O ATOM 987 CB GLU A 63 5.743 -13.055 2.995 1.00 0.00 C ATOM 988 CG GLU A 63 6.098 -14.023 4.111 1.00 0.00 C ATOM 989 CD GLU A 63 4.996 -14.151 5.145 1.00 0.00 C ATOM 990 OE1 GLU A 63 4.723 -13.157 5.849 1.00 0.00 O ATOM 991 OE2 GLU A 63 4.407 -15.248 5.250 1.00 0.00 O ATOM 0 H GLU A 63 4.717 -12.188 0.416 1.00 0.00 H new ATOM 0 HA GLU A 63 5.286 -14.744 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.659 -12.611 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.145 -12.242 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.306 -15.004 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.013 -13.688 4.600 1.00 0.00 H new ATOM 998 N LYS A 64 3.043 -14.520 3.062 1.00 0.00 N ATOM 999 CA LYS A 64 1.635 -14.591 3.435 1.00 0.00 C ATOM 1000 C LYS A 64 1.427 -14.107 4.866 1.00 0.00 C ATOM 1001 O LYS A 64 2.208 -14.432 5.761 1.00 0.00 O ATOM 1002 CB LYS A 64 1.120 -16.025 3.290 1.00 0.00 C ATOM 1003 CG LYS A 64 1.310 -16.868 4.539 1.00 0.00 C ATOM 1004 CD LYS A 64 1.496 -18.337 4.196 1.00 0.00 C ATOM 1005 CE LYS A 64 0.162 -19.060 4.097 1.00 0.00 C ATOM 1006 NZ LYS A 64 0.338 -20.523 3.884 1.00 0.00 N ATOM 0 H LYS A 64 3.647 -15.167 3.570 1.00 0.00 H new ATOM 0 HA LYS A 64 1.073 -13.940 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.060 -15.998 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.634 -16.504 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.178 -16.510 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.445 -16.752 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.030 -18.426 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.114 -18.814 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.410 -18.892 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.418 -18.641 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.594 -20.979 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.862 -20.685 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.869 -20.928 4.681 1.00 0.00 H new ATOM 1020 N ILE A 65 0.369 -13.330 5.075 1.00 0.00 N ATOM 1021 CA ILE A 65 0.058 -12.804 6.398 1.00 0.00 C ATOM 1022 C ILE A 65 -1.156 -13.507 6.998 1.00 0.00 C ATOM 1023 O ILE A 65 -2.284 -13.306 6.551 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.212 -11.288 6.353 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.837 -10.588 5.487 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.218 -10.709 7.759 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.449 -9.182 5.086 1.00 0.00 C ATOM 0 H ILE A 65 -0.287 -13.051 4.345 1.00 0.00 H new ATOM 0 HA ILE A 65 0.930 -12.991 7.024 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.193 -11.121 5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.781 -10.555 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.007 -11.180 4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.410 -9.637 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.998 -11.191 8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.750 -10.883 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.239 -8.747 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.479 -9.210 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.307 -8.575 5.980 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.914 -14.331 8.013 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.988 -15.062 8.674 1.00 0.00 C ATOM 1041 C GLU A 66 -2.809 -14.135 9.565 1.00 0.00 C ATOM 1042 O GLU A 66 -3.923 -14.471 9.970 1.00 0.00 O ATOM 1043 CB GLU A 66 -1.415 -16.212 9.506 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.556 -17.175 8.703 1.00 0.00 C ATOM 1045 CD GLU A 66 -0.352 -18.501 9.409 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -1.348 -19.072 9.900 1.00 0.00 O ATOM 1047 OE2 GLU A 66 0.805 -18.969 9.469 1.00 0.00 O ATOM 0 H GLU A 66 0.015 -14.509 8.395 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.642 -15.471 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.819 -15.799 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.237 -16.765 9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.023 -17.351 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.414 -16.717 8.511 1.00 0.00 H new ATOM 1054 N ASP A 67 -2.252 -12.968 9.868 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.932 -11.992 10.711 1.00 0.00 C ATOM 1056 C ASP A 67 -3.838 -11.091 9.877 1.00 0.00 C ATOM 1057 O ASP A 67 -3.993 -9.906 10.172 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.911 -11.144 11.472 1.00 0.00 C ATOM 1059 CG ASP A 67 -1.493 -11.781 12.783 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -2.358 -12.383 13.453 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -0.300 -11.677 13.138 1.00 0.00 O ATOM 0 H ASP A 67 -1.331 -12.675 9.542 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.549 -12.535 11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.030 -10.993 10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.335 -10.159 11.669 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.433 -11.662 8.835 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.323 -10.910 7.959 1.00 0.00 C ATOM 1068 C ILE A 68 -6.747 -11.452 8.027 1.00 0.00 C ATOM 1069 O ILE A 68 -6.958 -12.651 8.202 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.840 -10.951 6.497 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.431 -10.365 6.386 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.806 -10.193 5.599 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.372 -8.877 6.652 1.00 0.00 C ATOM 0 H ILE A 68 -4.315 -12.642 8.577 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.312 -9.878 8.308 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.808 -11.990 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.777 -10.878 7.091 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.042 -10.563 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.451 -10.231 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.794 -10.650 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.866 -9.154 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.343 -8.531 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.000 -8.353 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.731 -8.673 7.661 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.721 -10.559 7.885 1.00 0.00 N ATOM 1086 CA ASN A 69 -9.126 -10.947 7.929 1.00 0.00 C ATOM 1087 C ASN A 69 -9.751 -10.889 6.538 1.00 0.00 C ATOM 1088 O ASN A 69 -9.999 -9.809 6.003 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.899 -10.037 8.886 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.111 -10.723 9.485 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.010 -11.822 10.030 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -12.267 -10.076 9.385 1.00 0.00 N ATOM 0 H ASN A 69 -7.563 -9.562 7.739 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.182 -11.974 8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.236 -9.711 9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.218 -9.142 8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.117 -10.489 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.304 -9.167 8.925 1.00 0.00 H new ATOM 1099 N GLY A 70 -10.003 -12.059 5.959 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.597 -12.119 4.636 1.00 0.00 C ATOM 1101 C GLY A 70 -11.580 -10.991 4.390 1.00 0.00 C ATOM 1102 O GLY A 70 -11.416 -10.209 3.453 1.00 0.00 O ATOM 0 H GLY A 70 -9.807 -12.966 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.808 -12.080 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.107 -13.074 4.513 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.604 -10.908 5.231 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.620 -9.870 5.099 1.00 0.00 C ATOM 1108 C CYS A 71 -14.023 -9.327 6.466 1.00 0.00 C ATOM 1109 O CYS A 71 -14.536 -10.049 7.321 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.848 -10.418 4.372 1.00 0.00 C ATOM 1111 SG CYS A 71 -16.122 -9.179 4.036 1.00 0.00 S ATOM 0 H CYS A 71 -12.753 -11.547 6.012 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.196 -9.054 4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.530 -10.862 3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.284 -11.218 4.970 1.00 0.00 H new ATOM 0 HG CYS A 71 -17.119 -9.738 3.417 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.785 -8.024 6.679 1.00 0.00 N ATOM 1118 CA PRO A 72 -14.115 -7.355 7.942 1.00 0.00 C ATOM 1119 C PRO A 72 -15.619 -7.215 8.147 1.00 0.00 C ATOM 1120 O PRO A 72 -16.330 -6.705 7.281 1.00 0.00 O ATOM 1121 CB PRO A 72 -13.464 -5.978 7.794 1.00 0.00 C ATOM 1122 CG PRO A 72 -13.390 -5.750 6.324 1.00 0.00 C ATOM 1123 CD PRO A 72 -13.176 -7.103 5.705 1.00 0.00 C ATOM 0 HA PRO A 72 -13.762 -7.917 8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.056 -5.206 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.473 -5.958 8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.307 -5.292 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.573 -5.073 6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.654 -7.178 4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.117 -7.315 5.559 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.099 -7.669 9.300 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.519 -7.593 9.621 1.00 0.00 C ATOM 1133 C LYS A 73 -17.793 -6.465 10.610 1.00 0.00 C ATOM 1134 O LYS A 73 -18.831 -5.806 10.543 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.004 -8.923 10.202 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.422 -9.932 9.146 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.452 -10.910 9.685 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.760 -12.007 8.678 1.00 0.00 C ATOM 1139 NZ LYS A 73 -21.085 -12.638 8.932 1.00 0.00 N ATOM 0 H LYS A 73 -15.525 -8.094 10.028 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.063 -7.386 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.210 -9.355 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.848 -8.734 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.833 -9.408 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.546 -10.480 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.083 -11.356 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.369 -10.375 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.743 -11.590 7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.981 -12.768 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.257 -13.380 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.093 -13.058 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.831 -11.917 8.866 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.856 -6.246 11.526 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.997 -5.196 12.529 1.00 0.00 C ATOM 1155 C ASN A 74 -16.155 -3.978 12.162 1.00 0.00 C ATOM 1156 O ASN A 74 -15.171 -4.088 11.430 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.585 -5.719 13.906 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.268 -4.973 15.036 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -17.309 -3.742 15.047 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.810 -5.717 15.994 1.00 0.00 N ATOM 0 H ASN A 74 -15.991 -6.781 11.595 1.00 0.00 H new ATOM 0 HA ASN A 74 -18.044 -4.896 12.561 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.827 -6.780 13.976 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.504 -5.630 14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.284 -5.271 16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.752 -6.734 15.944 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.549 -2.817 12.676 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.832 -1.578 12.402 1.00 0.00 C ATOM 1169 C ARG A 75 -14.379 -1.678 12.859 1.00 0.00 C ATOM 1170 O ARG A 75 -13.497 -1.022 12.306 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.517 -0.402 13.100 1.00 0.00 C ATOM 1172 CG ARG A 75 -16.636 -0.572 14.606 1.00 0.00 C ATOM 1173 CD ARG A 75 -15.411 -0.030 15.326 1.00 0.00 C ATOM 1174 NE ARG A 75 -15.352 1.429 15.283 1.00 0.00 N ATOM 1175 CZ ARG A 75 -16.215 2.218 15.913 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -17.198 1.692 16.631 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -16.096 3.537 15.825 1.00 0.00 N ATOM 0 H ARG A 75 -17.361 -2.709 13.284 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.846 -1.411 11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.959 0.510 12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.513 -0.270 12.678 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.527 -0.055 14.962 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.763 -1.628 14.845 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.424 -0.362 16.364 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.511 -0.443 14.871 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.607 1.866 14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.293 0.679 16.701 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.859 2.301 17.114 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.341 3.945 15.273 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.759 4.142 16.309 1.00 0.00 H new ATOM 1191 N SER A 76 -14.139 -2.503 13.874 1.00 0.00 N ATOM 1192 CA SER A 76 -12.795 -2.685 14.409 1.00 0.00 C ATOM 1193 C SER A 76 -12.062 -3.800 13.667 1.00 0.00 C ATOM 1194 O SER A 76 -10.874 -3.683 13.368 1.00 0.00 O ATOM 1195 CB SER A 76 -12.857 -3.007 15.903 1.00 0.00 C ATOM 1196 OG SER A 76 -13.787 -2.168 16.567 1.00 0.00 O ATOM 0 H SER A 76 -14.858 -3.055 14.342 1.00 0.00 H new ATOM 0 HA SER A 76 -12.245 -1.755 14.268 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.140 -4.050 16.042 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.869 -2.883 16.346 1.00 0.00 H new ATOM 0 HG SER A 76 -13.810 -2.395 17.520 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.781 -4.879 13.375 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.199 -6.015 12.670 1.00 0.00 C ATOM 1204 C GLN A 77 -11.218 -5.547 11.600 1.00 0.00 C ATOM 1205 O GLN A 77 -10.276 -6.260 11.254 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.300 -6.865 12.033 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.826 -7.962 12.944 1.00 0.00 C ATOM 1208 CD GLN A 77 -12.820 -9.075 13.158 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.679 -8.993 12.701 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.237 -10.125 13.856 1.00 0.00 N ATOM 0 H GLN A 77 -13.766 -4.990 13.615 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.656 -6.621 13.395 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.127 -6.216 11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.915 -7.317 11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.095 -7.530 13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.738 -8.379 12.516 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.191 -10.152 14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.603 -10.905 14.032 1.00 0.00 H new ATOM 1219 N MET A 78 -11.445 -4.345 11.081 1.00 0.00 N ATOM 1220 CA MET A 78 -10.580 -3.783 10.050 1.00 0.00 C ATOM 1221 C MET A 78 -9.214 -3.421 10.625 1.00 0.00 C ATOM 1222 O MET A 78 -8.180 -3.743 10.041 1.00 0.00 O ATOM 1223 CB MET A 78 -11.229 -2.544 9.430 1.00 0.00 C ATOM 1224 CG MET A 78 -12.278 -2.870 8.379 1.00 0.00 C ATOM 1225 SD MET A 78 -13.377 -1.481 8.041 1.00 0.00 S ATOM 1226 CE MET A 78 -14.977 -2.249 8.285 1.00 0.00 C ATOM 0 H MET A 78 -12.220 -3.742 11.357 1.00 0.00 H new ATOM 0 HA MET A 78 -10.441 -4.538 9.276 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.690 -1.951 10.220 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.454 -1.925 8.978 1.00 0.00 H new ATOM 0 HG2 MET A 78 -11.781 -3.168 7.456 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.869 -3.723 8.713 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.763 -1.514 8.112 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.093 -3.077 7.586 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.049 -2.623 9.306 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.219 -2.751 11.773 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.980 -2.347 12.426 1.00 0.00 C ATOM 1238 C ILE A 79 -6.936 -3.455 12.357 1.00 0.00 C ATOM 1239 O ILE A 79 -5.814 -3.237 11.901 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.218 -1.971 13.901 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.168 -0.776 13.998 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.896 -1.662 14.588 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.550 0.526 13.537 1.00 0.00 C ATOM 0 H ILE A 79 -10.067 -2.477 12.270 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.612 -1.471 11.891 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.679 -2.819 14.408 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.056 -0.979 13.400 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.497 -0.667 15.031 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.080 -1.398 15.629 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.250 -2.539 14.545 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.410 -0.828 14.083 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.280 1.330 13.633 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.678 0.752 14.151 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.246 0.435 12.494 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.314 -4.646 12.812 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.409 -5.790 12.801 1.00 0.00 C ATOM 1257 C GLU A 80 -5.759 -5.956 11.430 1.00 0.00 C ATOM 1258 O GLU A 80 -4.552 -6.170 11.326 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.161 -7.067 13.179 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.398 -7.214 14.673 1.00 0.00 C ATOM 1261 CD GLU A 80 -8.454 -8.253 14.997 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -9.571 -8.154 14.448 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -8.163 -9.165 15.798 1.00 0.00 O ATOM 0 H GLU A 80 -8.240 -4.844 13.192 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.625 -5.608 13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.122 -7.079 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.598 -7.929 12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.462 -7.488 15.160 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.702 -6.252 15.085 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.570 -5.857 10.382 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.075 -5.997 9.017 1.00 0.00 C ATOM 1272 C ASN A 81 -4.858 -5.107 8.785 1.00 0.00 C ATOM 1273 O ASN A 81 -3.750 -5.597 8.566 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.177 -5.647 8.014 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.419 -6.496 8.199 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.669 -7.022 9.284 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.204 -6.635 7.137 1.00 0.00 N ATOM 0 H ASN A 81 -7.572 -5.680 10.451 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.776 -7.035 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.441 -4.595 8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.798 -5.779 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.054 -7.196 7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.957 -6.181 6.258 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.073 -3.797 8.836 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.994 -2.838 8.633 1.00 0.00 C ATOM 1286 C ILE A 82 -2.865 -3.062 9.633 1.00 0.00 C ATOM 1287 O ILE A 82 -1.688 -3.036 9.272 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.497 -1.388 8.760 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.539 -1.090 7.680 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.333 -0.413 8.664 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.513 0.002 8.064 1.00 0.00 C ATOM 0 H ILE A 82 -5.984 -3.375 9.016 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.618 -2.996 7.622 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.968 -1.267 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.027 -0.802 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.095 -2.002 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.705 0.608 8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.623 -0.614 9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.836 -0.533 7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.222 0.159 7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.052 -0.292 8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.967 0.926 8.253 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.231 -3.283 10.891 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.249 -3.514 11.944 1.00 0.00 C ATOM 1305 C ASP A 83 -1.268 -4.611 11.541 1.00 0.00 C ATOM 1306 O ASP A 83 -0.056 -4.402 11.538 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.950 -3.894 13.249 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.166 -3.464 14.473 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.529 -2.391 14.422 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.190 -4.199 15.482 1.00 0.00 O ATOM 0 H ASP A 83 -4.201 -3.307 11.206 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.691 -2.590 12.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.938 -3.435 13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.099 -4.973 13.277 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.802 -5.780 11.202 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.974 -6.909 10.796 1.00 0.00 C ATOM 1317 C ALA A 84 0.049 -6.490 9.746 1.00 0.00 C ATOM 1318 O ALA A 84 1.222 -6.857 9.827 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.845 -8.038 10.266 1.00 0.00 C ATOM 0 H ALA A 84 -2.804 -5.970 11.201 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.432 -7.264 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.214 -8.875 9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.533 -8.364 11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.413 -7.686 9.405 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.402 -5.720 8.762 1.00 0.00 N ATOM 1326 CA CYS A 85 0.475 -5.252 7.694 1.00 0.00 C ATOM 1327 C CYS A 85 1.605 -4.395 8.255 1.00 0.00 C ATOM 1328 O CYS A 85 2.775 -4.601 7.931 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.324 -4.454 6.663 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.728 -5.351 5.961 1.00 0.00 S ATOM 0 H CYS A 85 -1.369 -5.407 8.681 1.00 0.00 H new ATOM 0 HA CYS A 85 0.912 -6.124 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.688 -3.539 7.131 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.343 -4.155 5.855 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.630 -5.534 6.880 1.00 0.00 H new ATOM 1336 N LEU A 86 1.247 -3.430 9.095 1.00 0.00 N ATOM 1337 CA LEU A 86 2.231 -2.539 9.701 1.00 0.00 C ATOM 1338 C LEU A 86 3.298 -3.333 10.447 1.00 0.00 C ATOM 1339 O LEU A 86 4.494 -3.112 10.259 1.00 0.00 O ATOM 1340 CB LEU A 86 1.543 -1.563 10.657 1.00 0.00 C ATOM 1341 CG LEU A 86 0.435 -0.700 10.053 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.357 -0.004 11.149 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.020 0.319 9.086 1.00 0.00 C ATOM 0 H LEU A 86 0.283 -3.244 9.372 1.00 0.00 H new ATOM 0 HA LEU A 86 2.715 -1.976 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.121 -2.133 11.485 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.301 -0.903 11.078 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.243 -1.349 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.141 0.606 10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.808 -0.751 11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.309 0.633 11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.217 0.924 8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.721 0.964 9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.542 -0.200 8.282 1.00 0.00 H new ATOM 1355 N ASN A 87 2.857 -4.258 11.293 1.00 0.00 N ATOM 1356 CA ASN A 87 3.775 -5.087 12.066 1.00 0.00 C ATOM 1357 C ASN A 87 4.555 -6.030 11.156 1.00 0.00 C ATOM 1358 O ASN A 87 5.733 -6.304 11.390 1.00 0.00 O ATOM 1359 CB ASN A 87 3.007 -5.892 13.116 1.00 0.00 C ATOM 1360 CG ASN A 87 2.386 -5.009 14.181 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.074 -4.525 15.080 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.079 -4.796 14.085 1.00 0.00 N ATOM 0 H ASN A 87 1.870 -4.453 11.461 1.00 0.00 H new ATOM 0 HA ASN A 87 4.483 -4.429 12.569 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.224 -6.470 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.682 -6.606 13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.606 -4.211 14.773 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.548 -5.218 13.323 1.00 0.00 H new ATOM 1369 N PHE A 88 3.891 -6.525 10.116 1.00 0.00 N ATOM 1370 CA PHE A 88 4.521 -7.438 9.170 1.00 0.00 C ATOM 1371 C PHE A 88 5.663 -6.750 8.428 1.00 0.00 C ATOM 1372 O PHE A 88 6.708 -7.352 8.178 1.00 0.00 O ATOM 1373 CB PHE A 88 3.489 -7.961 8.169 1.00 0.00 C ATOM 1374 CG PHE A 88 4.083 -8.355 6.847 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.436 -7.391 5.917 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.286 -9.689 6.534 1.00 0.00 C ATOM 1377 CE1 PHE A 88 4.983 -7.749 4.699 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.833 -10.054 5.318 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.181 -9.083 4.399 1.00 0.00 C ATOM 0 H PHE A 88 2.916 -6.309 9.907 1.00 0.00 H new ATOM 0 HA PHE A 88 4.930 -8.278 9.732 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.980 -8.823 8.601 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.733 -7.193 8.004 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.282 -6.347 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.014 -10.452 7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.255 -6.987 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.988 -11.097 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.607 -9.366 3.448 1.00 0.00 H new ATOM 1389 N LEU A 89 5.456 -5.485 8.078 1.00 0.00 N ATOM 1390 CA LEU A 89 6.467 -4.714 7.364 1.00 0.00 C ATOM 1391 C LEU A 89 7.685 -4.462 8.247 1.00 0.00 C ATOM 1392 O LEU A 89 8.824 -4.598 7.804 1.00 0.00 O ATOM 1393 CB LEU A 89 5.881 -3.382 6.892 1.00 0.00 C ATOM 1394 CG LEU A 89 4.828 -3.466 5.786 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.251 -2.090 5.493 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.425 -4.075 4.526 1.00 0.00 C ATOM 0 H LEU A 89 4.597 -4.972 8.277 1.00 0.00 H new ATOM 0 HA LEU A 89 6.784 -5.293 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.437 -2.878 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.699 -2.752 6.541 1.00 0.00 H new ATOM 0 HG LEU A 89 4.019 -4.111 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.504 -2.169 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.786 -1.691 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.050 -1.422 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.661 -4.127 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.253 -3.456 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.789 -5.079 4.744 1.00 0.00 H new ATOM 1408 N ALA A 90 7.435 -4.097 9.500 1.00 0.00 N ATOM 1409 CA ALA A 90 8.510 -3.831 10.447 1.00 0.00 C ATOM 1410 C ALA A 90 9.429 -5.040 10.589 1.00 0.00 C ATOM 1411 O ALA A 90 10.646 -4.897 10.700 1.00 0.00 O ATOM 1412 CB ALA A 90 7.937 -3.440 11.801 1.00 0.00 C ATOM 0 H ALA A 90 6.497 -3.979 9.883 1.00 0.00 H new ATOM 0 HA ALA A 90 9.102 -3.001 10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.752 -3.244 12.498 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.328 -2.542 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.320 -4.253 12.183 1.00 0.00 H new ATOM 1418 N ALA A 91 8.838 -6.230 10.584 1.00 0.00 N ATOM 1419 CA ALA A 91 9.603 -7.464 10.710 1.00 0.00 C ATOM 1420 C ALA A 91 10.508 -7.675 9.501 1.00 0.00 C ATOM 1421 O ALA A 91 11.596 -8.240 9.617 1.00 0.00 O ATOM 1422 CB ALA A 91 8.667 -8.650 10.885 1.00 0.00 C ATOM 0 H ALA A 91 7.831 -6.366 10.494 1.00 0.00 H new ATOM 0 HA ALA A 91 10.235 -7.381 11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.252 -9.565 10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.067 -8.510 11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.010 -8.726 10.019 1.00 0.00 H new ATOM 1428 N LYS A 92 10.052 -7.218 8.340 1.00 0.00 N ATOM 1429 CA LYS A 92 10.819 -7.356 7.108 1.00 0.00 C ATOM 1430 C LYS A 92 12.006 -6.397 7.096 1.00 0.00 C ATOM 1431 O LYS A 92 12.994 -6.625 6.400 1.00 0.00 O ATOM 1432 CB LYS A 92 9.926 -7.094 5.894 1.00 0.00 C ATOM 1433 CG LYS A 92 8.942 -8.216 5.609 1.00 0.00 C ATOM 1434 CD LYS A 92 9.630 -9.410 4.969 1.00 0.00 C ATOM 1435 CE LYS A 92 8.627 -10.480 4.564 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.211 -11.451 3.599 1.00 0.00 N ATOM 0 H LYS A 92 9.154 -6.748 8.226 1.00 0.00 H new ATOM 0 HA LYS A 92 11.198 -8.377 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.373 -6.169 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.555 -6.942 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.462 -8.526 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.154 -7.852 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.188 -9.083 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.352 -9.833 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.285 -11.012 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.752 -10.007 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.594 -12.285 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.295 -11.003 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.153 -11.744 3.928 1.00 0.00 H new ATOM 1450 N GLY A 93 11.901 -5.323 7.873 1.00 0.00 N ATOM 1451 CA GLY A 93 12.972 -4.346 7.938 1.00 0.00 C ATOM 1452 C GLY A 93 12.543 -2.981 7.439 1.00 0.00 C ATOM 1453 O GLY A 93 13.307 -2.292 6.762 1.00 0.00 O ATOM 0 H GLY A 93 11.093 -5.112 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.319 -4.260 8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.816 -4.697 7.345 1.00 0.00 H new ATOM 1457 N ILE A 94 11.318 -2.589 7.771 1.00 0.00 N ATOM 1458 CA ILE A 94 10.789 -1.298 7.352 1.00 0.00 C ATOM 1459 C ILE A 94 10.376 -0.456 8.554 1.00 0.00 C ATOM 1460 O ILE A 94 9.877 -0.979 9.549 1.00 0.00 O ATOM 1461 CB ILE A 94 9.577 -1.463 6.415 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.988 -2.204 5.141 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.981 -0.105 6.076 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.817 -2.761 4.362 1.00 0.00 C ATOM 0 H ILE A 94 10.673 -3.148 8.330 1.00 0.00 H new ATOM 0 HA ILE A 94 11.589 -0.790 6.813 1.00 0.00 H new ATOM 0 HB ILE A 94 8.817 -2.053 6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.550 -1.524 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.659 -3.021 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.126 -0.238 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.657 0.389 6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.733 0.509 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.183 -3.273 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.267 -3.466 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.156 -1.946 4.066 1.00 0.00 H new ATOM 1526 N GLY A 98 5.301 5.807 13.800 1.00 0.00 N ATOM 1527 CA GLY A 98 4.705 7.072 13.412 1.00 0.00 C ATOM 1528 C GLY A 98 3.320 6.903 12.821 1.00 0.00 C ATOM 1529 O GLY A 98 2.430 7.720 13.061 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.648 7.725 14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.349 7.566 12.685 1.00 0.00 H new ATOM 1533 N LEU A 99 3.135 5.840 12.046 1.00 0.00 N ATOM 1534 CA LEU A 99 1.847 5.566 11.417 1.00 0.00 C ATOM 1535 C LEU A 99 0.801 5.186 12.461 1.00 0.00 C ATOM 1536 O LEU A 99 1.121 4.997 13.634 1.00 0.00 O ATOM 1537 CB LEU A 99 1.988 4.444 10.388 1.00 0.00 C ATOM 1538 CG LEU A 99 2.998 4.686 9.265 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.169 3.432 8.422 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.562 5.858 8.399 1.00 0.00 C ATOM 0 H LEU A 99 3.860 5.154 11.838 1.00 0.00 H new ATOM 0 HA LEU A 99 1.517 6.474 10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.270 3.531 10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.011 4.265 9.939 1.00 0.00 H new ATOM 0 HG LEU A 99 3.960 4.931 9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.891 3.623 7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.528 2.617 9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.211 3.156 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.292 6.016 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.588 5.643 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.492 6.757 9.012 1.00 0.00 H new ATOM 1552 N SER A 100 -0.449 5.074 12.025 1.00 0.00 N ATOM 1553 CA SER A 100 -1.543 4.718 12.921 1.00 0.00 C ATOM 1554 C SER A 100 -2.632 3.956 12.173 1.00 0.00 C ATOM 1555 O SER A 100 -3.331 4.517 11.330 1.00 0.00 O ATOM 1556 CB SER A 100 -2.133 5.974 13.564 1.00 0.00 C ATOM 1557 OG SER A 100 -1.334 6.416 14.648 1.00 0.00 O ATOM 0 H SER A 100 -0.730 5.225 11.056 1.00 0.00 H new ATOM 0 HA SER A 100 -1.144 4.072 13.703 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.210 6.766 12.819 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.144 5.766 13.914 1.00 0.00 H new ATOM 0 HG SER A 100 -0.443 6.013 14.583 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.770 2.672 12.488 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.775 1.832 11.849 1.00 0.00 C ATOM 1565 C ALA A 101 -5.129 2.532 11.806 1.00 0.00 C ATOM 1566 O ALA A 101 -5.850 2.448 10.812 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.890 0.500 12.575 1.00 0.00 C ATOM 0 H ALA A 101 -2.198 2.191 13.182 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.458 1.647 10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.644 -0.117 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.929 -0.013 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.179 0.674 13.611 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.469 3.221 12.891 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.738 3.934 12.977 1.00 0.00 C ATOM 1575 C GLU A 102 -6.812 5.040 11.928 1.00 0.00 C ATOM 1576 O GLU A 102 -7.758 5.102 11.143 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.921 4.528 14.375 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.337 5.005 14.652 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.552 6.454 14.260 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.818 6.944 13.377 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.453 7.097 14.837 1.00 0.00 O ATOM 0 H GLU A 102 -4.883 3.300 13.722 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.540 3.221 12.786 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.647 3.779 15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.234 5.365 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.041 4.377 14.107 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.556 4.883 15.713 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.808 5.911 11.923 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.760 7.016 10.972 1.00 0.00 C ATOM 1590 C GLU A 103 -5.975 6.516 9.546 1.00 0.00 C ATOM 1591 O GLU A 103 -6.716 7.120 8.771 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.420 7.747 11.072 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.267 8.566 12.342 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.029 9.876 12.287 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -5.114 10.468 11.191 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -5.542 10.309 13.341 1.00 0.00 O ATOM 0 H GLU A 103 -5.017 5.873 12.566 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.563 7.710 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.613 7.017 11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.309 8.405 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.619 7.981 13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.210 8.772 12.512 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.319 5.410 9.209 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.438 4.829 7.877 1.00 0.00 C ATOM 1605 C ILE A 104 -6.881 4.441 7.574 1.00 0.00 C ATOM 1606 O ILE A 104 -7.392 4.712 6.487 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.541 3.587 7.723 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -3.066 3.980 7.835 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.812 2.899 6.393 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -2.117 2.808 7.705 1.00 0.00 C ATOM 0 H ILE A 104 -4.701 4.899 9.839 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.113 5.592 7.169 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.774 2.887 8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.834 4.713 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.900 4.467 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.170 2.023 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.856 2.590 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.604 3.591 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.089 3.160 7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.322 2.084 8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.255 2.334 6.733 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.533 3.805 8.542 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.918 3.380 8.379 1.00 0.00 C ATOM 1624 C ARG A 105 -9.800 4.551 7.954 1.00 0.00 C ATOM 1625 O ARG A 105 -10.662 4.409 7.088 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.445 2.776 9.682 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.439 1.645 9.471 1.00 0.00 C ATOM 1628 CD ARG A 105 -10.624 0.824 10.737 1.00 0.00 C ATOM 1629 NE ARG A 105 -11.763 1.285 11.527 1.00 0.00 N ATOM 1630 CZ ARG A 105 -11.710 2.320 12.358 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -10.580 2.998 12.506 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -12.788 2.680 13.042 1.00 0.00 N ATOM 0 H ARG A 105 -7.124 3.573 9.447 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.950 2.622 7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.604 2.404 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.920 3.561 10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.399 2.056 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.092 0.999 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.767 -0.224 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.718 0.879 11.341 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.647 0.785 11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.749 2.725 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.542 3.792 13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.659 2.162 12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.745 3.475 13.680 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.577 5.707 8.571 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.352 6.902 8.258 1.00 0.00 C ATOM 1648 C ASN A 106 -10.106 7.348 6.820 1.00 0.00 C ATOM 1649 O ASN A 106 -10.976 7.945 6.187 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.996 8.034 9.224 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.872 8.034 10.462 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -12.069 8.312 10.389 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -10.276 7.722 11.607 1.00 0.00 N ATOM 0 H ASN A 106 -8.866 5.841 9.290 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.409 6.659 8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.952 7.939 9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.096 8.991 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.813 7.706 12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.281 7.498 11.620 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.914 7.054 6.310 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.574 7.433 4.951 1.00 0.00 C ATOM 1662 C GLY A 107 -7.743 8.699 4.892 1.00 0.00 C ATOM 1663 O GLY A 107 -7.765 9.418 3.894 1.00 0.00 O ATOM 0 H GLY A 107 -8.178 6.560 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.025 6.619 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.490 7.576 4.377 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.009 8.974 5.965 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.169 10.164 6.032 1.00 0.00 C ATOM 1669 C ASN A 108 -4.973 10.039 5.093 1.00 0.00 C ATOM 1670 O ASN A 108 -3.976 9.394 5.422 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.684 10.392 7.466 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.374 11.849 7.746 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -6.237 12.717 7.610 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.136 12.125 8.140 1.00 0.00 N ATOM 0 H ASN A 108 -6.979 8.389 6.800 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.768 11.019 5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.446 10.045 8.164 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.791 9.793 7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.868 13.088 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.453 11.374 8.239 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.079 10.660 3.924 1.00 0.00 N ATOM 1682 CA LEU A 109 -4.006 10.619 2.936 1.00 0.00 C ATOM 1683 C LEU A 109 -2.640 10.641 3.615 1.00 0.00 C ATOM 1684 O LEU A 109 -1.845 9.712 3.465 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.128 11.801 1.973 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.605 11.568 0.555 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.448 10.522 -0.159 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.592 12.871 -0.230 1.00 0.00 C ATOM 0 H LEU A 109 -5.897 11.198 3.637 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.098 9.689 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.178 12.085 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.594 12.649 2.401 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.582 11.198 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.061 10.369 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.406 9.583 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.481 10.864 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.217 12.686 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.604 13.271 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.945 13.591 0.271 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.374 11.706 4.364 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.106 11.848 5.069 1.00 0.00 C ATOM 1702 C LYS A 110 -0.660 10.514 5.661 1.00 0.00 C ATOM 1703 O LYS A 110 0.496 10.118 5.520 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.231 12.894 6.179 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.898 14.305 5.725 1.00 0.00 C ATOM 1706 CD LYS A 110 0.587 14.466 5.449 1.00 0.00 C ATOM 1707 CE LYS A 110 1.042 15.901 5.668 1.00 0.00 C ATOM 1708 NZ LYS A 110 0.892 16.725 4.437 1.00 0.00 N ATOM 0 H LYS A 110 -3.020 12.484 4.498 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.354 12.176 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.249 12.878 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.570 12.620 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.464 14.541 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.206 15.017 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.153 13.800 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.802 14.168 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.462 16.347 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.085 15.907 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.360 17.590 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.832 16.981 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.378 16.180 3.715 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.585 9.827 6.323 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.287 8.537 6.933 1.00 0.00 C ATOM 1724 C ALA A 111 -0.939 7.497 5.874 1.00 0.00 C ATOM 1725 O ALA A 111 0.181 6.985 5.838 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.466 8.065 7.771 1.00 0.00 C ATOM 0 H ALA A 111 -2.547 10.142 6.451 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.420 8.661 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.230 7.101 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.668 8.792 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.346 7.964 7.136 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.904 7.188 5.014 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.698 6.209 3.954 1.00 0.00 C ATOM 1734 C ILE A 112 -0.402 6.481 3.199 1.00 0.00 C ATOM 1735 O ILE A 112 0.534 5.681 3.241 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.870 6.205 2.956 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.185 5.906 3.680 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.623 5.186 1.853 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.893 7.145 4.181 1.00 0.00 C ATOM 0 H ILE A 112 -2.836 7.602 5.031 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.638 5.232 4.434 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.944 7.193 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.848 5.367 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.984 5.246 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.460 5.195 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.705 5.440 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.526 4.192 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.817 6.858 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.248 7.674 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.125 7.797 3.339 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.353 7.615 2.509 1.00 0.00 N ATOM 1752 CA LEU A 113 0.830 7.995 1.744 1.00 0.00 C ATOM 1753 C LEU A 113 2.104 7.556 2.459 1.00 0.00 C ATOM 1754 O LEU A 113 3.056 7.098 1.828 1.00 0.00 O ATOM 1755 CB LEU A 113 0.852 9.508 1.520 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.290 10.079 0.679 1.00 0.00 C ATOM 1757 CD1 LEU A 113 -0.208 11.596 0.626 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.262 9.492 -0.725 1.00 0.00 C ATOM 0 H LEU A 113 -1.119 8.288 2.463 1.00 0.00 H new ATOM 0 HA LEU A 113 0.786 7.492 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.841 9.999 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.795 9.770 1.041 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.234 9.804 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.029 11.984 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.277 12.000 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.741 11.894 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.082 9.909 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.687 9.737 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.371 8.409 -0.669 1.00 0.00 H new ATOM 1770 N GLY A 114 2.114 7.699 3.781 1.00 0.00 N ATOM 1771 CA GLY A 114 3.276 7.311 4.560 1.00 0.00 C ATOM 1772 C GLY A 114 3.590 5.833 4.436 1.00 0.00 C ATOM 1773 O GLY A 114 4.724 5.454 4.141 1.00 0.00 O ATOM 0 H GLY A 114 1.339 8.076 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.139 7.891 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.105 7.556 5.608 1.00 0.00 H new ATOM 1777 N LEU A 115 2.584 4.995 4.664 1.00 0.00 N ATOM 1778 CA LEU A 115 2.759 3.549 4.578 1.00 0.00 C ATOM 1779 C LEU A 115 3.423 3.158 3.262 1.00 0.00 C ATOM 1780 O LEU A 115 4.499 2.561 3.251 1.00 0.00 O ATOM 1781 CB LEU A 115 1.408 2.844 4.711 1.00 0.00 C ATOM 1782 CG LEU A 115 1.295 1.477 4.035 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.317 0.589 4.788 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.868 1.633 2.583 1.00 0.00 C ATOM 0 H LEU A 115 1.640 5.292 4.910 1.00 0.00 H new ATOM 0 HA LEU A 115 3.407 3.236 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.187 2.722 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.638 3.496 4.298 1.00 0.00 H new ATOM 0 HG LEU A 115 2.275 1.001 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.249 -0.380 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.666 0.450 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.666 1.059 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.793 0.650 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.101 2.130 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.606 2.231 2.049 1.00 0.00 H new ATOM 1796 N PHE A 116 2.775 3.501 2.154 1.00 0.00 N ATOM 1797 CA PHE A 116 3.303 3.187 0.831 1.00 0.00 C ATOM 1798 C PHE A 116 4.623 3.912 0.586 1.00 0.00 C ATOM 1799 O PHE A 116 5.505 3.402 -0.104 1.00 0.00 O ATOM 1800 CB PHE A 116 2.290 3.569 -0.250 1.00 0.00 C ATOM 1801 CG PHE A 116 1.337 2.460 -0.597 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.717 1.448 -1.464 1.00 0.00 C ATOM 1803 CD2 PHE A 116 0.061 2.431 -0.057 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.843 0.427 -1.785 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.817 1.412 -0.374 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.426 0.410 -1.240 1.00 0.00 C ATOM 0 H PHE A 116 1.883 3.996 2.146 1.00 0.00 H new ATOM 0 HA PHE A 116 3.485 2.113 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.720 4.435 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.827 3.871 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.708 1.457 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.251 3.213 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.152 -0.357 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.808 1.399 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.112 -0.386 -1.491 1.00 0.00 H new ATOM 1816 N PHE A 117 4.750 5.106 1.157 1.00 0.00 N ATOM 1817 CA PHE A 117 5.960 5.903 1.000 1.00 0.00 C ATOM 1818 C PHE A 117 7.185 5.134 1.487 1.00 0.00 C ATOM 1819 O PHE A 117 8.266 5.234 0.906 1.00 0.00 O ATOM 1820 CB PHE A 117 5.832 7.220 1.768 1.00 0.00 C ATOM 1821 CG PHE A 117 7.120 7.989 1.859 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.050 7.693 2.842 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.398 9.007 0.962 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.236 8.398 2.928 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.582 9.716 1.043 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.502 9.412 2.028 1.00 0.00 C ATOM 0 H PHE A 117 4.029 5.542 1.732 1.00 0.00 H new ATOM 0 HA PHE A 117 6.087 6.120 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.080 7.842 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.471 7.011 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.846 6.903 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.682 9.250 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 117 9.954 8.156 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.788 10.507 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.427 9.966 2.094 1.00 0.00 H new ATOM 1836 N SER A 118 7.007 4.367 2.557 1.00 0.00 N ATOM 1837 CA SER A 118 8.098 3.584 3.126 1.00 0.00 C ATOM 1838 C SER A 118 8.119 2.175 2.540 1.00 0.00 C ATOM 1839 O SER A 118 9.150 1.707 2.055 1.00 0.00 O ATOM 1840 CB SER A 118 7.964 3.513 4.648 1.00 0.00 C ATOM 1841 OG SER A 118 8.496 4.674 5.262 1.00 0.00 O ATOM 0 H SER A 118 6.118 4.271 3.048 1.00 0.00 H new ATOM 0 HA SER A 118 9.036 4.078 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.914 3.403 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.483 2.630 5.021 1.00 0.00 H new ATOM 0 HG SER A 118 8.397 4.605 6.234 1.00 0.00 H new ATOM 1847 N LEU A 119 6.973 1.505 2.589 1.00 0.00 N ATOM 1848 CA LEU A 119 6.858 0.149 2.063 1.00 0.00 C ATOM 1849 C LEU A 119 7.600 0.014 0.737 1.00 0.00 C ATOM 1850 O LEU A 119 8.407 -0.897 0.556 1.00 0.00 O ATOM 1851 CB LEU A 119 5.386 -0.224 1.878 1.00 0.00 C ATOM 1852 CG LEU A 119 5.097 -1.333 0.866 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.839 -2.606 1.243 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.600 -1.593 0.773 1.00 0.00 C ATOM 0 H LEU A 119 6.111 1.878 2.987 1.00 0.00 H new ATOM 0 HA LEU A 119 7.311 -0.533 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.985 -0.528 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.841 0.669 1.573 1.00 0.00 H new ATOM 0 HG LEU A 119 5.450 -1.007 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.621 -3.384 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.911 -2.411 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.517 -2.936 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.413 -2.385 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.222 -1.897 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.092 -0.683 0.455 1.00 0.00 H new ATOM 1866 N SER A 120 7.321 0.928 -0.186 1.00 0.00 N ATOM 1867 CA SER A 120 7.961 0.911 -1.497 1.00 0.00 C ATOM 1868 C SER A 120 9.475 0.775 -1.361 1.00 0.00 C ATOM 1869 O SER A 120 10.106 0.002 -2.082 1.00 0.00 O ATOM 1870 CB SER A 120 7.620 2.185 -2.271 1.00 0.00 C ATOM 1871 OG SER A 120 8.379 3.286 -1.801 1.00 0.00 O ATOM 0 H SER A 120 6.656 1.690 -0.051 1.00 0.00 H new ATOM 0 HA SER A 120 7.584 0.049 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.814 2.032 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.557 2.402 -2.169 1.00 0.00 H new ATOM 0 HG SER A 120 8.144 4.088 -2.313 1.00 0.00 H new ATOM 1877 N ARG A 121 10.049 1.531 -0.431 1.00 0.00 N ATOM 1878 CA ARG A 121 11.488 1.496 -0.200 1.00 0.00 C ATOM 1879 C ARG A 121 11.986 0.058 -0.084 1.00 0.00 C ATOM 1880 O ARG A 121 12.929 -0.340 -0.767 1.00 0.00 O ATOM 1881 CB ARG A 121 11.842 2.274 1.069 1.00 0.00 C ATOM 1882 CG ARG A 121 11.317 3.700 1.075 1.00 0.00 C ATOM 1883 CD ARG A 121 11.921 4.511 2.210 1.00 0.00 C ATOM 1884 NE ARG A 121 13.376 4.597 2.108 1.00 0.00 N ATOM 1885 CZ ARG A 121 14.167 4.905 3.130 1.00 0.00 C ATOM 1886 NH1 ARG A 121 13.648 5.155 4.323 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.482 4.963 2.958 1.00 0.00 N ATOM 0 H ARG A 121 9.540 2.175 0.174 1.00 0.00 H new ATOM 0 HA ARG A 121 11.979 1.964 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.441 1.745 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.926 2.294 1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.547 4.178 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.231 3.689 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.497 5.515 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.651 4.057 3.163 1.00 0.00 H new ATOM 0 HE ARG A 121 13.808 4.410 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.638 5.111 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.258 5.391 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.885 4.771 2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.089 5.200 3.743 1.00 0.00 H new ATOM 1901 N TYR A 122 11.346 -0.715 0.786 1.00 0.00 N ATOM 1902 CA TYR A 122 11.725 -2.107 0.994 1.00 0.00 C ATOM 1903 C TYR A 122 12.071 -2.782 -0.330 1.00 0.00 C ATOM 1904 O TYR A 122 13.160 -3.332 -0.494 1.00 0.00 O ATOM 1905 CB TYR A 122 10.592 -2.868 1.686 1.00 0.00 C ATOM 1906 CG TYR A 122 10.737 -4.371 1.608 1.00 0.00 C ATOM 1907 CD1 TYR A 122 11.450 -5.071 2.573 1.00 0.00 C ATOM 1908 CD2 TYR A 122 10.159 -5.091 0.570 1.00 0.00 C ATOM 1909 CE1 TYR A 122 11.585 -6.444 2.506 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.287 -6.465 0.495 1.00 0.00 C ATOM 1911 CZ TYR A 122 11.002 -7.137 1.465 1.00 0.00 C ATOM 1912 OH TYR A 122 11.133 -8.505 1.395 1.00 0.00 O ATOM 0 H TYR A 122 10.562 -0.401 1.358 1.00 0.00 H new ATOM 0 HA TYR A 122 12.609 -2.125 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.551 -2.569 2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.643 -2.579 1.235 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.907 -4.532 3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.600 -4.568 -0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 122 12.144 -6.972 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.830 -7.010 -0.318 1.00 0.00 H new ATOM 0 HH TYR A 122 10.663 -8.839 0.603 1.00 0.00 H new ATOM 1922 N LYS A 123 11.136 -2.734 -1.272 1.00 0.00 N ATOM 1923 CA LYS A 123 11.340 -3.338 -2.584 1.00 0.00 C ATOM 1924 C LYS A 123 12.369 -2.552 -3.391 1.00 0.00 C ATOM 1925 O LYS A 123 13.302 -3.127 -3.949 1.00 0.00 O ATOM 1926 CB LYS A 123 10.017 -3.402 -3.350 1.00 0.00 C ATOM 1927 CG LYS A 123 10.149 -3.987 -4.745 1.00 0.00 C ATOM 1928 CD LYS A 123 10.275 -5.500 -4.706 1.00 0.00 C ATOM 1929 CE LYS A 123 9.706 -6.140 -5.964 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.333 -7.461 -6.246 1.00 0.00 N ATOM 0 H LYS A 123 10.229 -2.283 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 123 11.716 -4.350 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.306 -4.000 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.601 -2.397 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.280 -3.709 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.023 -3.561 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.324 -5.776 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.752 -5.887 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.629 -6.266 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.863 -5.475 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.919 -7.864 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.357 -7.338 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.161 -8.104 -5.447 1.00 0.00 H new ATOM 1944 N GLN A 124 12.191 -1.236 -3.445 1.00 0.00 N ATOM 1945 CA GLN A 124 13.105 -0.372 -4.183 1.00 0.00 C ATOM 1946 C GLN A 124 14.545 -0.853 -4.038 1.00 0.00 C ATOM 1947 O GLN A 124 15.175 -1.256 -5.015 1.00 0.00 O ATOM 1948 CB GLN A 124 12.985 1.071 -3.691 1.00 0.00 C ATOM 1949 CG GLN A 124 11.785 1.811 -4.261 1.00 0.00 C ATOM 1950 CD GLN A 124 11.671 3.228 -3.737 1.00 0.00 C ATOM 1951 OE1 GLN A 124 12.537 3.703 -3.002 1.00 0.00 O ATOM 1952 NE2 GLN A 124 10.597 3.914 -4.113 1.00 0.00 N ATOM 0 H GLN A 124 11.423 -0.745 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 124 12.832 -0.413 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.918 1.071 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.894 1.612 -3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.860 1.835 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.875 1.263 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.904 3.482 -4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.466 4.873 -3.791 1.00 0.00 H new