USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 652 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 Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 138:sc= -1.98 (180deg=-4.61!) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.107 (180deg=-1.51!) USER MOD Single : A 25 THR OG1 : rot 74:sc= 0.0809 USER MOD Single : A 29 GLN : amide:sc= -0.892 X(o=-0.89,f=-1.2) USER MOD Single : A 35 CYS SG : rot 177:sc= -1.43 USER MOD Single : A 38 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 44 MET CE :methyl -136:sc= -0.193 (180deg=-1.94!) USER MOD Single : A 46 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.15) USER MOD Single : A 49 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.8!) USER MOD Single : A 61 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= -2.16 (180deg=-2.45) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.74 K(o=-2.7,f=-5.3!) USER MOD Single : A 81 SER OG : rot -120:sc= -0.473 USER MOD Single : A 82 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.45) USER MOD Single : A 83 THR OG1 : rot 111:sc= 1.31 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -6.092 9.089 3.084 1.00 0.00 N ATOM 187 CA PHE A 17 -6.502 8.124 2.070 1.00 0.00 C ATOM 188 C PHE A 17 -6.791 6.765 2.700 1.00 0.00 C ATOM 189 O PHE A 17 -7.644 6.018 2.223 1.00 0.00 O ATOM 190 CB PHE A 17 -5.417 7.982 1.001 1.00 0.00 C ATOM 191 CG PHE A 17 -5.146 9.252 0.246 1.00 0.00 C ATOM 192 CD1 PHE A 17 -6.038 9.708 -0.711 1.00 0.00 C ATOM 193 CD2 PHE A 17 -3.999 9.988 0.494 1.00 0.00 C ATOM 194 CE1 PHE A 17 -5.790 10.876 -1.407 1.00 0.00 C ATOM 195 CE2 PHE A 17 -3.746 11.157 -0.200 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.643 11.601 -1.152 1.00 0.00 C ATOM 0 HA PHE A 17 -7.416 8.491 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.494 7.647 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.713 7.206 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.937 9.145 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.295 9.645 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.493 11.222 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.848 11.722 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.448 12.513 -1.696 1.00 0.00 H new ATOM 206 N ILE A 18 -6.072 6.451 3.773 1.00 0.00 N ATOM 207 CA ILE A 18 -6.250 5.181 4.466 1.00 0.00 C ATOM 208 C ILE A 18 -6.128 5.358 5.977 1.00 0.00 C ATOM 209 O ILE A 18 -5.224 6.039 6.461 1.00 0.00 O ATOM 210 CB ILE A 18 -5.220 4.137 3.998 1.00 0.00 C ATOM 211 CG1 ILE A 18 -5.175 4.082 2.471 1.00 0.00 C ATOM 212 CG2 ILE A 18 -5.552 2.768 4.575 1.00 0.00 C ATOM 213 CD1 ILE A 18 -4.146 3.115 1.930 1.00 0.00 C ATOM 0 H ILE A 18 -5.361 7.058 4.181 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.252 4.826 4.224 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.235 4.432 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.159 3.799 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.962 5.079 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.814 2.041 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.536 2.818 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.543 2.463 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.171 3.129 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.154 3.409 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.370 2.109 2.285 1.00 0.00 H new ATOM 225 N THR A 19 -7.044 4.740 6.715 1.00 0.00 N ATOM 226 CA THR A 19 -7.039 4.829 8.171 1.00 0.00 C ATOM 227 C THR A 19 -6.344 3.619 8.787 1.00 0.00 C ATOM 228 O THR A 19 -6.112 2.614 8.114 1.00 0.00 O ATOM 229 CB THR A 19 -8.469 4.936 8.700 1.00 0.00 C ATOM 230 OG1 THR A 19 -9.239 3.818 8.295 1.00 0.00 O ATOM 231 CG2 THR A 19 -9.189 6.182 8.233 1.00 0.00 C ATOM 0 H THR A 19 -7.799 4.172 6.329 1.00 0.00 H new ATOM 0 HA THR A 19 -6.487 5.725 8.455 1.00 0.00 H new ATOM 0 HB THR A 19 -8.372 4.977 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.150 3.904 8.645 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.198 6.195 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.647 7.064 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.241 6.186 7.144 1.00 0.00 H new ATOM 239 N LYS A 20 -6.017 3.722 10.071 1.00 0.00 N ATOM 240 CA LYS A 20 -5.349 2.636 10.780 1.00 0.00 C ATOM 241 C LYS A 20 -6.305 1.470 11.011 1.00 0.00 C ATOM 242 O LYS A 20 -5.904 0.308 10.972 1.00 0.00 O ATOM 243 CB LYS A 20 -4.799 3.129 12.121 1.00 0.00 C ATOM 244 CG LYS A 20 -4.226 4.537 12.066 1.00 0.00 C ATOM 245 CD LYS A 20 -3.219 4.772 13.181 1.00 0.00 C ATOM 246 CE LYS A 20 -2.949 6.254 13.383 1.00 0.00 C ATOM 247 NZ LYS A 20 -1.516 6.521 13.690 1.00 0.00 N ATOM 0 H LYS A 20 -6.204 4.546 10.642 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.520 2.291 10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.596 3.099 12.864 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.022 2.443 12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.746 4.698 11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.035 5.264 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.594 4.339 14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.286 4.260 12.945 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.236 6.801 12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.570 6.629 14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.374 7.543 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.248 6.020 14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.924 6.187 12.903 1.00 0.00 H new ATOM 261 N GLU A 21 -7.572 1.792 11.252 1.00 0.00 N ATOM 262 CA GLU A 21 -8.588 0.773 11.490 1.00 0.00 C ATOM 263 C GLU A 21 -8.710 -0.165 10.293 1.00 0.00 C ATOM 264 O GLU A 21 -9.008 -1.348 10.446 1.00 0.00 O ATOM 265 CB GLU A 21 -9.939 1.432 11.784 1.00 0.00 C ATOM 266 CG GLU A 21 -10.570 0.968 13.086 1.00 0.00 C ATOM 267 CD GLU A 21 -9.857 1.516 14.306 1.00 0.00 C ATOM 268 OE1 GLU A 21 -8.609 1.489 14.327 1.00 0.00 O ATOM 269 OE2 GLU A 21 -10.548 1.973 15.242 1.00 0.00 O ATOM 0 H GLU A 21 -7.919 2.750 11.288 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.284 0.184 12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.807 2.513 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.624 1.221 10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.615 1.278 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.560 -0.121 13.123 1.00 0.00 H new ATOM 276 N LYS A 22 -8.478 0.375 9.099 1.00 0.00 N ATOM 277 CA LYS A 22 -8.563 -0.414 7.876 1.00 0.00 C ATOM 278 C LYS A 22 -7.389 -1.382 7.769 1.00 0.00 C ATOM 279 O LYS A 22 -7.564 -2.549 7.418 1.00 0.00 O ATOM 280 CB LYS A 22 -8.595 0.507 6.653 1.00 0.00 C ATOM 281 CG LYS A 22 -9.977 0.650 6.036 1.00 0.00 C ATOM 282 CD LYS A 22 -9.933 1.475 4.759 1.00 0.00 C ATOM 283 CE LYS A 22 -10.835 0.887 3.684 1.00 0.00 C ATOM 284 NZ LYS A 22 -10.773 1.667 2.418 1.00 0.00 N ATOM 0 H LYS A 22 -8.230 1.354 8.954 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.485 -0.994 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.231 1.493 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.908 0.121 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.384 -0.338 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.650 1.121 6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.241 2.498 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.908 1.522 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.542 -0.145 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.863 0.864 4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.742 1.014 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.615 2.273 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.919 2.260 2.417 1.00 0.00 H new ATOM 298 N LYS A 23 -6.193 -0.889 8.074 1.00 0.00 N ATOM 299 CA LYS A 23 -4.989 -1.711 8.012 1.00 0.00 C ATOM 300 C LYS A 23 -5.105 -2.920 8.935 1.00 0.00 C ATOM 301 O LYS A 23 -4.542 -3.980 8.659 1.00 0.00 O ATOM 302 CB LYS A 23 -3.760 -0.882 8.390 1.00 0.00 C ATOM 303 CG LYS A 23 -3.148 -0.133 7.217 1.00 0.00 C ATOM 304 CD LYS A 23 -3.137 1.369 7.455 1.00 0.00 C ATOM 305 CE LYS A 23 -1.878 1.808 8.185 1.00 0.00 C ATOM 306 NZ LYS A 23 -2.160 2.868 9.191 1.00 0.00 N ATOM 0 H LYS A 23 -6.031 0.075 8.366 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.877 -2.069 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.039 -0.165 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.007 -1.540 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.129 -0.483 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.711 -0.354 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.206 1.890 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.014 1.653 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.427 0.948 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.150 2.177 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.338 3.500 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.992 3.417 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.348 2.429 10.115 1.00 0.00 H new ATOM 320 N ASP A 24 -5.840 -2.755 10.030 1.00 0.00 N ATOM 321 CA ASP A 24 -6.029 -3.834 10.992 1.00 0.00 C ATOM 322 C ASP A 24 -6.915 -4.931 10.411 1.00 0.00 C ATOM 323 O ASP A 24 -6.638 -6.120 10.576 1.00 0.00 O ATOM 324 CB ASP A 24 -6.648 -3.292 12.283 1.00 0.00 C ATOM 325 CG ASP A 24 -6.075 -3.954 13.521 1.00 0.00 C ATOM 326 OD1 ASP A 24 -5.029 -3.484 14.017 1.00 0.00 O ATOM 327 OD2 ASP A 24 -6.672 -4.944 13.994 1.00 0.00 O ATOM 0 H ASP A 24 -6.314 -1.885 10.273 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.052 -4.262 11.217 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.481 -2.216 12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.727 -3.446 12.258 1.00 0.00 H new ATOM 332 N THR A 25 -7.983 -4.525 9.732 1.00 0.00 N ATOM 333 CA THR A 25 -8.910 -5.474 9.127 1.00 0.00 C ATOM 334 C THR A 25 -8.214 -6.310 8.058 1.00 0.00 C ATOM 335 O THR A 25 -8.425 -7.518 7.966 1.00 0.00 O ATOM 336 CB THR A 25 -10.102 -4.735 8.517 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.693 -3.865 9.466 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.185 -5.662 8.007 1.00 0.00 C ATOM 0 H THR A 25 -8.228 -3.545 9.587 1.00 0.00 H new ATOM 0 HA THR A 25 -9.267 -6.143 9.909 1.00 0.00 H new ATOM 0 HB THR A 25 -9.694 -4.180 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.118 -3.082 9.595 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.000 -5.073 7.587 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.773 -6.313 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.562 -6.269 8.830 1.00 0.00 H new ATOM 346 N VAL A 26 -7.380 -5.657 7.255 1.00 0.00 N ATOM 347 CA VAL A 26 -6.651 -6.340 6.192 1.00 0.00 C ATOM 348 C VAL A 26 -5.773 -7.453 6.755 1.00 0.00 C ATOM 349 O VAL A 26 -5.820 -8.590 6.285 1.00 0.00 O ATOM 350 CB VAL A 26 -5.769 -5.360 5.396 1.00 0.00 C ATOM 351 CG1 VAL A 26 -5.176 -6.044 4.174 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.568 -4.129 4.993 1.00 0.00 C ATOM 0 H VAL A 26 -7.192 -4.657 7.320 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.397 -6.771 5.524 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.948 -5.038 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.556 -5.335 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.566 -6.890 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.980 -6.398 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.928 -3.448 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.411 -4.430 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.937 -3.626 5.887 1.00 0.00 H new ATOM 362 N LEU A 27 -4.975 -7.117 7.762 1.00 0.00 N ATOM 363 CA LEU A 27 -4.086 -8.087 8.389 1.00 0.00 C ATOM 364 C LEU A 27 -4.874 -9.102 9.213 1.00 0.00 C ATOM 365 O LEU A 27 -4.421 -10.227 9.425 1.00 0.00 O ATOM 366 CB LEU A 27 -3.063 -7.375 9.278 1.00 0.00 C ATOM 367 CG LEU A 27 -2.258 -6.274 8.583 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.389 -5.534 9.588 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.407 -6.863 7.469 1.00 0.00 C ATOM 0 H LEU A 27 -4.926 -6.180 8.162 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.561 -8.621 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.585 -6.940 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.369 -8.117 9.674 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.955 -5.560 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.824 -4.755 9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.021 -5.081 10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.698 -6.235 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.841 -6.068 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.718 -7.597 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.052 -7.348 6.736 1.00 0.00 H new ATOM 381 N ARG A 28 -6.053 -8.698 9.676 1.00 0.00 N ATOM 382 CA ARG A 28 -6.902 -9.575 10.478 1.00 0.00 C ATOM 383 C ARG A 28 -7.201 -10.874 9.737 1.00 0.00 C ATOM 384 O ARG A 28 -7.294 -11.940 10.346 1.00 0.00 O ATOM 385 CB ARG A 28 -8.209 -8.865 10.831 1.00 0.00 C ATOM 386 CG ARG A 28 -8.945 -9.495 12.003 1.00 0.00 C ATOM 387 CD ARG A 28 -10.453 -9.433 11.814 1.00 0.00 C ATOM 388 NE ARG A 28 -11.156 -9.235 13.079 1.00 0.00 N ATOM 389 CZ ARG A 28 -11.388 -10.208 13.958 1.00 0.00 C ATOM 390 NH1 ARG A 28 -10.974 -11.446 13.714 1.00 0.00 N ATOM 391 NH2 ARG A 28 -12.036 -9.943 15.084 1.00 0.00 N ATOM 0 H ARG A 28 -6.443 -7.770 9.510 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.366 -9.818 11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.995 -7.822 11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.862 -8.868 9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.634 -10.534 12.113 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.671 -8.981 12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.700 -8.620 11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.798 -10.356 11.348 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.489 -8.297 13.302 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.475 -11.656 12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.155 -12.187 14.391 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.357 -8.994 15.277 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.214 -10.688 15.758 1.00 0.00 H new ATOM 405 N GLN A 29 -7.350 -10.779 8.420 1.00 0.00 N ATOM 406 CA GLN A 29 -7.638 -11.948 7.596 1.00 0.00 C ATOM 407 C GLN A 29 -6.395 -12.817 7.429 1.00 0.00 C ATOM 408 O GLN A 29 -6.488 -14.041 7.345 1.00 0.00 O ATOM 409 CB GLN A 29 -8.160 -11.516 6.225 1.00 0.00 C ATOM 410 CG GLN A 29 -9.497 -10.793 6.282 1.00 0.00 C ATOM 411 CD GLN A 29 -10.449 -11.239 5.190 1.00 0.00 C ATOM 412 OE1 GLN A 29 -10.724 -12.429 5.039 1.00 0.00 O ATOM 413 NE2 GLN A 29 -10.956 -10.283 4.421 1.00 0.00 N ATOM 0 H GLN A 29 -7.276 -9.905 7.900 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.405 -12.536 8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.424 -10.864 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.259 -12.396 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.958 -10.967 7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.329 -9.719 6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.700 -9.309 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.602 -10.522 3.669 1.00 0.00 H new ATOM 422 N VAL A 30 -5.232 -12.174 7.381 1.00 0.00 N ATOM 423 CA VAL A 30 -3.971 -12.888 7.224 1.00 0.00 C ATOM 424 C VAL A 30 -3.479 -13.437 8.558 1.00 0.00 C ATOM 425 O VAL A 30 -2.812 -14.471 8.607 1.00 0.00 O ATOM 426 CB VAL A 30 -2.883 -11.979 6.623 1.00 0.00 C ATOM 427 CG1 VAL A 30 -1.638 -12.786 6.283 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.410 -11.255 5.394 1.00 0.00 C ATOM 0 H VAL A 30 -5.138 -11.161 7.449 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.160 -13.717 6.542 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.610 -11.231 7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.881 -12.126 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.248 -13.252 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.892 -13.559 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.627 -10.618 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.714 -11.985 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.268 -10.642 5.672 1.00 0.00 H new ATOM 438 N ARG A 31 -3.811 -12.739 9.639 1.00 0.00 N ATOM 439 CA ARG A 31 -3.401 -13.156 10.975 1.00 0.00 C ATOM 440 C ARG A 31 -4.080 -14.463 11.371 1.00 0.00 C ATOM 441 O ARG A 31 -3.492 -15.296 12.059 1.00 0.00 O ATOM 442 CB ARG A 31 -3.732 -12.066 11.996 1.00 0.00 C ATOM 443 CG ARG A 31 -2.664 -10.992 12.109 1.00 0.00 C ATOM 444 CD ARG A 31 -2.698 -10.314 13.469 1.00 0.00 C ATOM 445 NE ARG A 31 -1.679 -9.274 13.588 1.00 0.00 N ATOM 446 CZ ARG A 31 -1.801 -8.054 13.070 1.00 0.00 C ATOM 447 NH1 ARG A 31 -2.895 -7.716 12.399 1.00 0.00 N ATOM 448 NH2 ARG A 31 -0.826 -7.168 13.225 1.00 0.00 N ATOM 0 H ARG A 31 -4.363 -11.882 9.616 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.323 -13.318 10.962 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.678 -11.598 11.722 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.876 -12.527 12.973 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.682 -11.436 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.811 -10.248 11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.683 -9.877 13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.548 -11.060 14.250 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.824 -9.496 14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.648 -8.393 12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.982 -6.779 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.017 -7.422 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.919 -6.233 12.828 1.00 0.00 H new ATOM 462 N LEU A 32 -5.323 -14.635 10.932 1.00 0.00 N ATOM 463 CA LEU A 32 -6.083 -15.841 11.242 1.00 0.00 C ATOM 464 C LEU A 32 -5.851 -16.917 10.185 1.00 0.00 C ATOM 465 O LEU A 32 -5.557 -18.067 10.512 1.00 0.00 O ATOM 466 CB LEU A 32 -7.574 -15.518 11.340 1.00 0.00 C ATOM 467 CG LEU A 32 -7.980 -14.698 12.566 1.00 0.00 C ATOM 468 CD1 LEU A 32 -9.360 -14.091 12.370 1.00 0.00 C ATOM 469 CD2 LEU A 32 -7.949 -15.561 13.818 1.00 0.00 C ATOM 0 H LEU A 32 -5.825 -13.955 10.361 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.737 -16.221 12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.872 -14.974 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.133 -16.454 11.346 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.263 -13.886 12.690 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.631 -13.512 13.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.350 -13.439 11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.090 -14.887 12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.241 -14.962 14.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.643 -16.393 13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.941 -15.947 13.969 1.00 0.00 H new ATOM 481 N ASP A 33 -5.985 -16.536 8.919 1.00 0.00 N ATOM 482 CA ASP A 33 -5.790 -17.468 7.815 1.00 0.00 C ATOM 483 C ASP A 33 -4.711 -16.960 6.859 1.00 0.00 C ATOM 484 O ASP A 33 -4.807 -15.847 6.341 1.00 0.00 O ATOM 485 CB ASP A 33 -7.105 -17.675 7.060 1.00 0.00 C ATOM 486 CG ASP A 33 -7.668 -19.071 7.249 1.00 0.00 C ATOM 487 OD1 ASP A 33 -7.837 -19.489 8.414 1.00 0.00 O ATOM 488 OD2 ASP A 33 -7.939 -19.745 6.234 1.00 0.00 O ATOM 0 H ASP A 33 -6.228 -15.588 8.632 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.462 -18.422 8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.836 -16.942 7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.943 -17.492 5.998 1.00 0.00 H new ATOM 493 N PRO A 34 -3.664 -17.769 6.608 1.00 0.00 N ATOM 494 CA PRO A 34 -2.572 -17.385 5.707 1.00 0.00 C ATOM 495 C PRO A 34 -3.011 -17.345 4.248 1.00 0.00 C ATOM 496 O PRO A 34 -3.900 -18.091 3.836 1.00 0.00 O ATOM 497 CB PRO A 34 -1.531 -18.484 5.921 1.00 0.00 C ATOM 498 CG PRO A 34 -2.315 -19.664 6.378 1.00 0.00 C ATOM 499 CD PRO A 34 -3.463 -19.114 7.179 1.00 0.00 C ATOM 0 HA PRO A 34 -2.203 -16.382 5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.989 -18.701 5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.791 -18.189 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.675 -20.246 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.700 -20.330 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.356 -19.731 7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.226 -19.068 8.242 1.00 0.00 H new ATOM 507 N CYS A 35 -2.382 -16.471 3.469 1.00 0.00 N ATOM 508 CA CYS A 35 -2.709 -16.334 2.055 1.00 0.00 C ATOM 509 C CYS A 35 -1.564 -15.670 1.296 1.00 0.00 C ATOM 510 O CYS A 35 -0.773 -14.924 1.874 1.00 0.00 O ATOM 511 CB CYS A 35 -3.993 -15.521 1.882 1.00 0.00 C ATOM 512 SG CYS A 35 -5.125 -16.184 0.639 1.00 0.00 S ATOM 0 H CYS A 35 -1.643 -15.847 3.793 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.864 -17.332 1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.511 -15.472 2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.729 -14.499 1.609 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.209 -15.467 0.612 1.00 0.00 H new ATOM 518 N ASP A 36 -1.483 -15.944 -0.002 1.00 0.00 N ATOM 519 CA ASP A 36 -0.437 -15.371 -0.840 1.00 0.00 C ATOM 520 C ASP A 36 -0.616 -13.863 -0.979 1.00 0.00 C ATOM 521 O ASP A 36 -1.697 -13.387 -1.322 1.00 0.00 O ATOM 522 CB ASP A 36 -0.442 -16.028 -2.222 1.00 0.00 C ATOM 523 CG ASP A 36 0.461 -17.244 -2.286 1.00 0.00 C ATOM 524 OD1 ASP A 36 0.746 -17.830 -1.221 1.00 0.00 O ATOM 525 OD2 ASP A 36 0.884 -17.610 -3.404 1.00 0.00 O ATOM 0 H ASP A 36 -2.129 -16.559 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 36 0.523 -15.562 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.460 -16.321 -2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.122 -15.301 -2.968 1.00 0.00 H new ATOM 530 N LEU A 37 0.452 -13.118 -0.713 1.00 0.00 N ATOM 531 CA LEU A 37 0.412 -11.663 -0.808 1.00 0.00 C ATOM 532 C LEU A 37 1.515 -11.147 -1.726 1.00 0.00 C ATOM 533 O LEU A 37 2.080 -10.078 -1.495 1.00 0.00 O ATOM 534 CB LEU A 37 0.552 -11.036 0.579 1.00 0.00 C ATOM 535 CG LEU A 37 -0.317 -11.670 1.667 1.00 0.00 C ATOM 536 CD1 LEU A 37 -0.007 -11.056 3.024 1.00 0.00 C ATOM 537 CD2 LEU A 37 -1.791 -11.507 1.332 1.00 0.00 C ATOM 0 H LEU A 37 1.355 -13.498 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.551 -11.378 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.596 -11.100 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.304 -9.977 0.509 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.089 -12.735 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.635 -11.519 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.042 -11.223 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.206 -9.985 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.395 -11.964 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.032 -10.447 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.004 -11.994 0.380 1.00 0.00 H new ATOM 549 N GLN A 38 1.816 -11.914 -2.770 1.00 0.00 N ATOM 550 CA GLN A 38 2.851 -11.533 -3.724 1.00 0.00 C ATOM 551 C GLN A 38 2.276 -10.636 -4.818 1.00 0.00 C ATOM 552 O GLN A 38 2.789 -9.545 -5.069 1.00 0.00 O ATOM 553 CB GLN A 38 3.487 -12.781 -4.345 1.00 0.00 C ATOM 554 CG GLN A 38 4.947 -12.970 -3.968 1.00 0.00 C ATOM 555 CD GLN A 38 5.884 -12.159 -4.842 1.00 0.00 C ATOM 556 OE1 GLN A 38 6.519 -12.690 -5.752 1.00 0.00 O ATOM 557 NE2 GLN A 38 5.976 -10.862 -4.566 1.00 0.00 N ATOM 0 H GLN A 38 1.358 -12.802 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 38 3.619 -10.974 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.923 -13.660 -4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.405 -12.719 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.089 -12.684 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.205 -14.026 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.431 -10.463 -3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.592 -10.265 -5.119 1.00 0.00 H new ATOM 566 N PRO A 39 1.197 -11.083 -5.485 1.00 0.00 N ATOM 567 CA PRO A 39 0.554 -10.310 -6.553 1.00 0.00 C ATOM 568 C PRO A 39 0.208 -8.891 -6.111 1.00 0.00 C ATOM 569 O PRO A 39 0.087 -7.986 -6.935 1.00 0.00 O ATOM 570 CB PRO A 39 -0.722 -11.101 -6.851 1.00 0.00 C ATOM 571 CG PRO A 39 -0.413 -12.494 -6.424 1.00 0.00 C ATOM 572 CD PRO A 39 0.517 -12.371 -5.249 1.00 0.00 C ATOM 0 HA PRO A 39 1.207 -10.190 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.574 -10.699 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.976 -11.059 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.322 -13.028 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.053 -13.056 -7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.027 -12.371 -4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.226 -13.198 -5.209 1.00 0.00 H new ATOM 580 N ILE A 40 0.051 -8.705 -4.803 1.00 0.00 N ATOM 581 CA ILE A 40 -0.280 -7.396 -4.253 1.00 0.00 C ATOM 582 C ILE A 40 0.874 -6.418 -4.438 1.00 0.00 C ATOM 583 O ILE A 40 0.706 -5.347 -5.021 1.00 0.00 O ATOM 584 CB ILE A 40 -0.627 -7.482 -2.753 1.00 0.00 C ATOM 585 CG1 ILE A 40 -1.560 -8.665 -2.479 1.00 0.00 C ATOM 586 CG2 ILE A 40 -1.261 -6.182 -2.281 1.00 0.00 C ATOM 587 CD1 ILE A 40 -2.795 -8.681 -3.355 1.00 0.00 C ATOM 0 H ILE A 40 0.148 -9.444 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.153 -7.037 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 40 0.296 -7.641 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.008 -9.593 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.867 -8.640 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.500 -6.258 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.563 -5.359 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.174 -5.996 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.408 -9.547 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.370 -7.770 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.498 -8.738 -4.402 1.00 0.00 H new ATOM 599 N PHE A 41 2.046 -6.794 -3.939 1.00 0.00 N ATOM 600 CA PHE A 41 3.230 -5.951 -4.049 1.00 0.00 C ATOM 601 C PHE A 41 3.737 -5.909 -5.487 1.00 0.00 C ATOM 602 O PHE A 41 4.232 -4.882 -5.951 1.00 0.00 O ATOM 603 CB PHE A 41 4.336 -6.464 -3.123 1.00 0.00 C ATOM 604 CG PHE A 41 4.150 -6.064 -1.688 1.00 0.00 C ATOM 605 CD1 PHE A 41 4.520 -4.801 -1.253 1.00 0.00 C ATOM 606 CD2 PHE A 41 3.607 -6.952 -0.773 1.00 0.00 C ATOM 607 CE1 PHE A 41 4.353 -4.432 0.068 1.00 0.00 C ATOM 608 CE2 PHE A 41 3.437 -6.587 0.549 1.00 0.00 C ATOM 609 CZ PHE A 41 3.810 -5.326 0.970 1.00 0.00 C ATOM 0 H PHE A 41 2.201 -7.678 -3.454 1.00 0.00 H new ATOM 0 HA PHE A 41 2.953 -4.940 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.376 -7.551 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.297 -6.088 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.944 -4.097 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.314 -7.940 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.647 -3.445 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.013 -7.288 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.677 -5.039 2.003 1.00 0.00 H new ATOM 619 N ASP A 42 3.608 -7.031 -6.188 1.00 0.00 N ATOM 620 CA ASP A 42 4.053 -7.124 -7.575 1.00 0.00 C ATOM 621 C ASP A 42 3.394 -6.050 -8.437 1.00 0.00 C ATOM 622 O ASP A 42 3.958 -5.619 -9.443 1.00 0.00 O ATOM 623 CB ASP A 42 3.739 -8.511 -8.140 1.00 0.00 C ATOM 624 CG ASP A 42 4.501 -8.799 -9.419 1.00 0.00 C ATOM 625 OD1 ASP A 42 5.708 -8.484 -9.475 1.00 0.00 O ATOM 626 OD2 ASP A 42 3.890 -9.340 -10.364 1.00 0.00 O ATOM 0 H ASP A 42 3.199 -7.889 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 42 5.131 -6.965 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.985 -9.268 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.669 -8.589 -8.332 1.00 0.00 H new ATOM 631 N ASP A 43 2.200 -5.625 -8.039 1.00 0.00 N ATOM 632 CA ASP A 43 1.468 -4.603 -8.779 1.00 0.00 C ATOM 633 C ASP A 43 1.723 -3.216 -8.197 1.00 0.00 C ATOM 634 O ASP A 43 1.691 -2.216 -8.914 1.00 0.00 O ATOM 635 CB ASP A 43 -0.032 -4.908 -8.760 1.00 0.00 C ATOM 636 CG ASP A 43 -0.799 -4.088 -9.779 1.00 0.00 C ATOM 637 OD1 ASP A 43 -0.215 -3.748 -10.829 1.00 0.00 O ATOM 638 OD2 ASP A 43 -1.984 -3.785 -9.526 1.00 0.00 O ATOM 0 H ASP A 43 1.719 -5.972 -7.209 1.00 0.00 H new ATOM 0 HA ASP A 43 1.823 -4.614 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.187 -5.968 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.428 -4.709 -7.764 1.00 0.00 H new ATOM 643 N MET A 44 1.973 -3.163 -6.892 1.00 0.00 N ATOM 644 CA MET A 44 2.231 -1.897 -6.216 1.00 0.00 C ATOM 645 C MET A 44 3.687 -1.467 -6.381 1.00 0.00 C ATOM 646 O MET A 44 4.017 -0.292 -6.222 1.00 0.00 O ATOM 647 CB MET A 44 1.886 -2.011 -4.729 1.00 0.00 C ATOM 648 CG MET A 44 0.406 -2.232 -4.463 1.00 0.00 C ATOM 649 SD MET A 44 -0.630 -0.951 -5.194 1.00 0.00 S ATOM 650 CE MET A 44 -0.006 0.506 -4.362 1.00 0.00 C ATOM 0 H MET A 44 2.002 -3.981 -6.283 1.00 0.00 H new ATOM 0 HA MET A 44 1.598 -1.138 -6.675 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.452 -2.836 -4.296 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.206 -1.102 -4.220 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.111 -3.203 -4.860 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.235 -2.262 -3.387 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.842 1.129 -4.044 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.575 0.206 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.629 1.071 -5.045 1.00 0.00 H new ATOM 660 N LEU A 45 4.556 -2.424 -6.699 1.00 0.00 N ATOM 661 CA LEU A 45 5.976 -2.140 -6.884 1.00 0.00 C ATOM 662 C LEU A 45 6.186 -1.005 -7.884 1.00 0.00 C ATOM 663 O LEU A 45 7.168 -0.268 -7.804 1.00 0.00 O ATOM 664 CB LEU A 45 6.710 -3.395 -7.360 1.00 0.00 C ATOM 665 CG LEU A 45 7.252 -4.291 -6.245 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.955 -5.505 -6.831 1.00 0.00 C ATOM 667 CD2 LEU A 45 8.196 -3.508 -5.346 1.00 0.00 C ATOM 0 H LEU A 45 4.301 -3.402 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 45 6.383 -1.829 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.031 -3.982 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.541 -3.092 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 45 6.413 -4.639 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.334 -6.131 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.250 -6.078 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.785 -5.178 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.573 -4.160 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.032 -3.132 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.661 -2.670 -4.899 1.00 0.00 H new ATOM 679 N HIS A 46 5.257 -0.871 -8.826 1.00 0.00 N ATOM 680 CA HIS A 46 5.343 0.173 -9.840 1.00 0.00 C ATOM 681 C HIS A 46 5.044 1.543 -9.239 1.00 0.00 C ATOM 682 O HIS A 46 5.625 2.549 -9.646 1.00 0.00 O ATOM 683 CB HIS A 46 4.372 -0.121 -10.987 1.00 0.00 C ATOM 684 CG HIS A 46 5.013 -0.071 -12.339 1.00 0.00 C ATOM 685 ND1 HIS A 46 4.354 0.308 -13.488 1.00 0.00 N ATOM 686 CD2 HIS A 46 6.285 -0.361 -12.716 1.00 0.00 C ATOM 687 CE1 HIS A 46 5.226 0.238 -14.503 1.00 0.00 C ATOM 688 NE2 HIS A 46 6.411 -0.163 -14.088 1.00 0.00 N ATOM 0 H HIS A 46 4.437 -1.472 -8.908 1.00 0.00 H new ATOM 0 HA HIS A 46 6.361 0.185 -10.230 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.934 -1.108 -10.838 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.555 0.599 -10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.073 -0.692 -12.056 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.989 0.479 -15.529 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.248 -0.300 -14.655 1.00 0.00 H new ATOM 696 N PHE A 47 4.133 1.575 -8.272 1.00 0.00 N ATOM 697 CA PHE A 47 3.757 2.821 -7.617 1.00 0.00 C ATOM 698 C PHE A 47 4.805 3.233 -6.587 1.00 0.00 C ATOM 699 O PHE A 47 5.082 4.420 -6.410 1.00 0.00 O ATOM 700 CB PHE A 47 2.392 2.676 -6.942 1.00 0.00 C ATOM 701 CG PHE A 47 1.277 2.386 -7.906 1.00 0.00 C ATOM 702 CD1 PHE A 47 1.070 1.100 -8.379 1.00 0.00 C ATOM 703 CD2 PHE A 47 0.436 3.398 -8.336 1.00 0.00 C ATOM 704 CE1 PHE A 47 0.045 0.829 -9.266 1.00 0.00 C ATOM 705 CE2 PHE A 47 -0.592 3.134 -9.222 1.00 0.00 C ATOM 706 CZ PHE A 47 -0.787 1.848 -9.688 1.00 0.00 C ATOM 0 H PHE A 47 3.642 0.751 -7.925 1.00 0.00 H new ATOM 0 HA PHE A 47 3.697 3.598 -8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.443 1.874 -6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.164 3.594 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.717 0.300 -8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.585 4.405 -7.975 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.105 -0.177 -9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.242 3.932 -9.549 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.589 1.640 -10.381 1.00 0.00 H new ATOM 716 N LEU A 48 5.384 2.246 -5.912 1.00 0.00 N ATOM 717 CA LEU A 48 6.402 2.506 -4.900 1.00 0.00 C ATOM 718 C LEU A 48 7.665 3.081 -5.532 1.00 0.00 C ATOM 719 O LEU A 48 7.924 2.880 -6.719 1.00 0.00 O ATOM 720 CB LEU A 48 6.736 1.220 -4.142 1.00 0.00 C ATOM 721 CG LEU A 48 5.540 0.517 -3.499 1.00 0.00 C ATOM 722 CD1 LEU A 48 5.788 -0.981 -3.408 1.00 0.00 C ATOM 723 CD2 LEU A 48 5.259 1.098 -2.121 1.00 0.00 C ATOM 0 H LEU A 48 5.166 1.259 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 48 6.003 3.240 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.219 0.526 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.462 1.454 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 48 4.664 0.682 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.927 -1.465 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.940 -1.386 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.675 -1.167 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.405 0.586 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.133 0.963 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.037 2.161 -2.213 1.00 0.00 H new ATOM 735 N ASN A 49 8.448 3.797 -4.731 1.00 0.00 N ATOM 736 CA ASN A 49 9.686 4.400 -5.212 1.00 0.00 C ATOM 737 C ASN A 49 10.902 3.638 -4.691 1.00 0.00 C ATOM 738 O ASN A 49 10.800 2.868 -3.736 1.00 0.00 O ATOM 739 CB ASN A 49 9.764 5.866 -4.779 1.00 0.00 C ATOM 740 CG ASN A 49 9.281 6.815 -5.858 1.00 0.00 C ATOM 741 OD1 ASN A 49 9.080 6.418 -7.007 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.091 8.078 -5.494 1.00 0.00 N ATOM 0 H ASN A 49 8.247 3.974 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 49 9.687 4.348 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.165 6.008 -3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.794 6.111 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.766 8.762 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.270 8.364 -4.531 1.00 0.00 H new ATOM 749 N PRO A 50 12.075 3.845 -5.315 1.00 0.00 N ATOM 750 CA PRO A 50 13.314 3.173 -4.910 1.00 0.00 C ATOM 751 C PRO A 50 13.613 3.355 -3.426 1.00 0.00 C ATOM 752 O PRO A 50 14.116 2.445 -2.767 1.00 0.00 O ATOM 753 CB PRO A 50 14.388 3.859 -5.758 1.00 0.00 C ATOM 754 CG PRO A 50 13.657 4.376 -6.949 1.00 0.00 C ATOM 755 CD PRO A 50 12.284 4.747 -6.463 1.00 0.00 C ATOM 0 HA PRO A 50 13.258 2.095 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.870 4.667 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.171 3.158 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.167 5.240 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.603 3.620 -7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.232 5.795 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.530 4.597 -7.235 1.00 0.00 H new ATOM 763 N GLU A 51 13.300 4.537 -2.905 1.00 0.00 N ATOM 764 CA GLU A 51 13.536 4.839 -1.497 1.00 0.00 C ATOM 765 C GLU A 51 12.496 4.161 -0.611 1.00 0.00 C ATOM 766 O GLU A 51 12.822 3.628 0.449 1.00 0.00 O ATOM 767 CB GLU A 51 13.508 6.351 -1.269 1.00 0.00 C ATOM 768 CG GLU A 51 14.382 6.808 -0.111 1.00 0.00 C ATOM 769 CD GLU A 51 15.862 6.653 -0.401 1.00 0.00 C ATOM 770 OE1 GLU A 51 16.460 7.597 -0.959 1.00 0.00 O ATOM 771 OE2 GLU A 51 16.423 5.587 -0.071 1.00 0.00 O ATOM 0 H GLU A 51 12.883 5.301 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 51 14.520 4.454 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.834 6.854 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.480 6.663 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.167 7.853 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.128 6.234 0.780 1.00 0.00 H new ATOM 778 N GLU A 52 11.242 4.185 -1.053 1.00 0.00 N ATOM 779 CA GLU A 52 10.154 3.573 -0.299 1.00 0.00 C ATOM 780 C GLU A 52 10.350 2.064 -0.187 1.00 0.00 C ATOM 781 O GLU A 52 10.004 1.457 0.825 1.00 0.00 O ATOM 782 CB GLU A 52 8.810 3.877 -0.964 1.00 0.00 C ATOM 783 CG GLU A 52 8.511 5.362 -1.078 1.00 0.00 C ATOM 784 CD GLU A 52 7.397 5.658 -2.062 1.00 0.00 C ATOM 785 OE1 GLU A 52 6.552 4.765 -2.290 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.368 6.781 -2.607 1.00 0.00 O ATOM 0 H GLU A 52 10.955 4.622 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 52 10.158 3.997 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.799 3.435 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.015 3.397 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.237 5.750 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.414 5.888 -1.388 1.00 0.00 H new ATOM 793 N LEU A 53 10.905 1.468 -1.236 1.00 0.00 N ATOM 794 CA LEU A 53 11.147 0.029 -1.259 1.00 0.00 C ATOM 795 C LEU A 53 12.178 -0.370 -0.208 1.00 0.00 C ATOM 796 O LEU A 53 12.160 -1.492 0.298 1.00 0.00 O ATOM 797 CB LEU A 53 11.622 -0.406 -2.646 1.00 0.00 C ATOM 798 CG LEU A 53 10.640 -0.129 -3.784 1.00 0.00 C ATOM 799 CD1 LEU A 53 11.387 0.173 -5.074 1.00 0.00 C ATOM 800 CD2 LEU A 53 9.699 -1.309 -3.974 1.00 0.00 C ATOM 0 H LEU A 53 11.196 1.958 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 53 10.208 -0.474 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.562 0.100 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.834 -1.475 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 53 10.046 0.746 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.671 0.367 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.019 1.050 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.008 -0.682 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.007 -1.095 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.278 -2.201 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.137 -1.478 -3.055 1.00 0.00 H new ATOM 812 N ARG A 54 13.077 0.555 0.115 1.00 0.00 N ATOM 813 CA ARG A 54 14.117 0.297 1.104 1.00 0.00 C ATOM 814 C ARG A 54 13.510 -0.034 2.464 1.00 0.00 C ATOM 815 O ARG A 54 13.849 -1.047 3.076 1.00 0.00 O ATOM 816 CB ARG A 54 15.044 1.509 1.228 1.00 0.00 C ATOM 817 CG ARG A 54 16.214 1.285 2.172 1.00 0.00 C ATOM 818 CD ARG A 54 17.283 2.353 1.996 1.00 0.00 C ATOM 819 NE ARG A 54 18.238 2.357 3.101 1.00 0.00 N ATOM 820 CZ ARG A 54 19.440 2.928 3.040 1.00 0.00 C ATOM 821 NH1 ARG A 54 19.835 3.539 1.931 1.00 0.00 N ATOM 822 NH2 ARG A 54 20.246 2.887 4.092 1.00 0.00 N ATOM 0 H ARG A 54 13.106 1.489 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 54 14.696 -0.563 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.428 1.765 0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.465 2.365 1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.858 1.291 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.647 0.301 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.813 2.184 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.809 3.332 1.922 1.00 0.00 H new ATOM 0 HE ARG A 54 17.969 1.896 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.217 3.573 1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.756 3.975 1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.945 2.419 4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.167 3.324 4.046 1.00 0.00 H new ATOM 836 N VAL A 55 12.614 0.829 2.934 1.00 0.00 N ATOM 837 CA VAL A 55 11.962 0.629 4.223 1.00 0.00 C ATOM 838 C VAL A 55 11.164 -0.669 4.242 1.00 0.00 C ATOM 839 O VAL A 55 11.065 -1.334 5.274 1.00 0.00 O ATOM 840 CB VAL A 55 11.023 1.802 4.567 1.00 0.00 C ATOM 841 CG1 VAL A 55 10.478 1.656 5.979 1.00 0.00 C ATOM 842 CG2 VAL A 55 11.744 3.132 4.401 1.00 0.00 C ATOM 0 H VAL A 55 12.323 1.673 2.441 1.00 0.00 H new ATOM 0 HA VAL A 55 12.753 0.576 4.971 1.00 0.00 H new ATOM 0 HB VAL A 55 10.182 1.782 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.817 2.494 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.920 0.723 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.305 1.647 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.065 3.948 4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.607 3.164 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.078 3.238 3.369 1.00 0.00 H new ATOM 852 N ILE A 56 10.595 -1.026 3.096 1.00 0.00 N ATOM 853 CA ILE A 56 9.804 -2.246 2.982 1.00 0.00 C ATOM 854 C ILE A 56 10.699 -3.467 2.797 1.00 0.00 C ATOM 855 O ILE A 56 10.353 -4.571 3.216 1.00 0.00 O ATOM 856 CB ILE A 56 8.812 -2.165 1.806 1.00 0.00 C ATOM 857 CG1 ILE A 56 8.015 -0.861 1.872 1.00 0.00 C ATOM 858 CG2 ILE A 56 7.877 -3.365 1.818 1.00 0.00 C ATOM 859 CD1 ILE A 56 7.071 -0.671 0.704 1.00 0.00 C ATOM 0 H ILE A 56 10.667 -0.488 2.232 1.00 0.00 H new ATOM 0 HA ILE A 56 9.244 -2.348 3.912 1.00 0.00 H new ATOM 0 HB ILE A 56 9.375 -2.178 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.442 -0.841 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.709 -0.021 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.182 -3.293 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.460 -4.282 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.318 -3.381 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.539 0.274 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.640 -0.659 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.353 -1.491 0.679 1.00 0.00 H new ATOM 871 N GLU A 57 11.849 -3.262 2.164 1.00 0.00 N ATOM 872 CA GLU A 57 12.792 -4.347 1.922 1.00 0.00 C ATOM 873 C GLU A 57 13.371 -4.868 3.234 1.00 0.00 C ATOM 874 O GLU A 57 13.652 -6.058 3.371 1.00 0.00 O ATOM 875 CB GLU A 57 13.921 -3.872 1.003 1.00 0.00 C ATOM 876 CG GLU A 57 13.766 -4.331 -0.438 1.00 0.00 C ATOM 877 CD GLU A 57 14.607 -5.552 -0.754 1.00 0.00 C ATOM 878 OE1 GLU A 57 14.186 -6.673 -0.398 1.00 0.00 O ATOM 879 OE2 GLU A 57 15.688 -5.387 -1.358 1.00 0.00 O ATOM 0 H GLU A 57 12.150 -2.354 1.809 1.00 0.00 H new ATOM 0 HA GLU A 57 12.255 -5.162 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.963 -2.783 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.872 -4.236 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.717 -4.556 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.047 -3.518 -1.107 1.00 0.00 H new ATOM 886 N GLU A 58 13.548 -3.967 4.196 1.00 0.00 N ATOM 887 CA GLU A 58 14.095 -4.335 5.498 1.00 0.00 C ATOM 888 C GLU A 58 13.229 -5.392 6.176 1.00 0.00 C ATOM 889 O GLU A 58 13.726 -6.211 6.948 1.00 0.00 O ATOM 890 CB GLU A 58 14.208 -3.100 6.394 1.00 0.00 C ATOM 891 CG GLU A 58 15.288 -2.125 5.953 1.00 0.00 C ATOM 892 CD GLU A 58 16.132 -1.628 7.110 1.00 0.00 C ATOM 893 OE1 GLU A 58 16.884 -2.441 7.688 1.00 0.00 O ATOM 894 OE2 GLU A 58 16.040 -0.426 7.439 1.00 0.00 O ATOM 0 H GLU A 58 13.321 -2.977 4.099 1.00 0.00 H new ATOM 0 HA GLU A 58 15.089 -4.754 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.248 -2.584 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.414 -3.420 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.933 -2.610 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.823 -1.274 5.455 1.00 0.00 H new ATOM 901 N ILE A 59 11.933 -5.366 5.884 1.00 0.00 N ATOM 902 CA ILE A 59 10.999 -6.322 6.468 1.00 0.00 C ATOM 903 C ILE A 59 10.914 -7.594 5.624 1.00 0.00 C ATOM 904 O ILE A 59 10.356 -7.581 4.527 1.00 0.00 O ATOM 905 CB ILE A 59 9.588 -5.717 6.602 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.657 -4.351 7.287 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.678 -6.657 7.378 1.00 0.00 C ATOM 908 CD1 ILE A 59 8.475 -3.459 6.975 1.00 0.00 C ATOM 0 H ILE A 59 11.506 -4.694 5.247 1.00 0.00 H new ATOM 0 HA ILE A 59 11.378 -6.570 7.460 1.00 0.00 H new ATOM 0 HB ILE A 59 9.172 -5.582 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.717 -4.497 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.574 -3.846 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.686 -6.214 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.607 -7.610 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.089 -6.821 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.590 -2.507 7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.426 -3.283 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.556 -3.943 7.306 1.00 0.00 H new ATOM 920 N PRO A 60 11.465 -8.716 6.125 1.00 0.00 N ATOM 921 CA PRO A 60 11.442 -9.993 5.404 1.00 0.00 C ATOM 922 C PRO A 60 10.058 -10.634 5.407 1.00 0.00 C ATOM 923 O PRO A 60 9.605 -11.159 4.389 1.00 0.00 O ATOM 924 CB PRO A 60 12.432 -10.856 6.187 1.00 0.00 C ATOM 925 CG PRO A 60 12.392 -10.308 7.571 1.00 0.00 C ATOM 926 CD PRO A 60 12.152 -8.830 7.426 1.00 0.00 C ATOM 0 HA PRO A 60 11.698 -9.874 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.144 -11.907 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.435 -10.793 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.599 -10.777 8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.328 -10.502 8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.538 -8.442 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.087 -8.269 7.436 1.00 0.00 H new ATOM 934 N GLN A 61 9.394 -10.591 6.556 1.00 0.00 N ATOM 935 CA GLN A 61 8.061 -11.169 6.694 1.00 0.00 C ATOM 936 C GLN A 61 7.084 -10.523 5.716 1.00 0.00 C ATOM 937 O GLN A 61 7.200 -9.340 5.396 1.00 0.00 O ATOM 938 CB GLN A 61 7.553 -10.999 8.126 1.00 0.00 C ATOM 939 CG GLN A 61 8.245 -11.910 9.129 1.00 0.00 C ATOM 940 CD GLN A 61 7.319 -12.974 9.685 1.00 0.00 C ATOM 941 OE1 GLN A 61 6.108 -12.775 9.775 1.00 0.00 O ATOM 942 NE2 GLN A 61 7.887 -14.115 10.063 1.00 0.00 N ATOM 0 H GLN A 61 9.757 -10.161 7.407 1.00 0.00 H new ATOM 0 HA GLN A 61 8.129 -12.232 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.693 -9.962 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.481 -11.195 8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.098 -12.390 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.637 -11.309 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.895 -14.238 9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.314 -14.868 10.445 1.00 0.00 H new ATOM 951 N ALA A 62 6.120 -11.308 5.246 1.00 0.00 N ATOM 952 CA ALA A 62 5.121 -10.814 4.307 1.00 0.00 C ATOM 953 C ALA A 62 3.985 -10.107 5.036 1.00 0.00 C ATOM 954 O ALA A 62 3.433 -9.123 4.543 1.00 0.00 O ATOM 955 CB ALA A 62 4.578 -11.958 3.464 1.00 0.00 C ATOM 0 H ALA A 62 6.010 -12.290 5.501 1.00 0.00 H new ATOM 0 HA ALA A 62 5.603 -10.090 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.833 -11.575 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.394 -12.418 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.118 -12.702 4.114 1.00 0.00 H new ATOM 961 N GLU A 63 3.640 -10.613 6.216 1.00 0.00 N ATOM 962 CA GLU A 63 2.570 -10.030 7.016 1.00 0.00 C ATOM 963 C GLU A 63 2.921 -8.607 7.439 1.00 0.00 C ATOM 964 O GLU A 63 2.111 -7.690 7.300 1.00 0.00 O ATOM 965 CB GLU A 63 2.302 -10.891 8.252 1.00 0.00 C ATOM 966 CG GLU A 63 0.881 -10.772 8.779 1.00 0.00 C ATOM 967 CD GLU A 63 0.645 -11.625 10.010 1.00 0.00 C ATOM 968 OE1 GLU A 63 1.507 -11.614 10.914 1.00 0.00 O ATOM 969 OE2 GLU A 63 -0.403 -12.302 10.071 1.00 0.00 O ATOM 0 H GLU A 63 4.087 -11.426 6.639 1.00 0.00 H new ATOM 0 HA GLU A 63 1.669 -9.996 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.504 -11.934 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.998 -10.607 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.672 -9.729 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.181 -11.067 7.997 1.00 0.00 H new ATOM 976 N ASP A 64 4.133 -8.430 7.954 1.00 0.00 N ATOM 977 CA ASP A 64 4.592 -7.119 8.397 1.00 0.00 C ATOM 978 C ASP A 64 4.847 -6.201 7.206 1.00 0.00 C ATOM 979 O ASP A 64 4.686 -4.984 7.301 1.00 0.00 O ATOM 980 CB ASP A 64 5.865 -7.256 9.233 1.00 0.00 C ATOM 981 CG ASP A 64 6.241 -5.965 9.931 1.00 0.00 C ATOM 982 OD1 ASP A 64 5.689 -5.695 11.019 1.00 0.00 O ATOM 983 OD2 ASP A 64 7.086 -5.220 9.390 1.00 0.00 O ATOM 0 H ASP A 64 4.815 -9.178 8.075 1.00 0.00 H new ATOM 0 HA ASP A 64 3.809 -6.676 9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.725 -8.040 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.687 -7.570 8.589 1.00 0.00 H new ATOM 988 N LYS A 65 5.247 -6.792 6.085 1.00 0.00 N ATOM 989 CA LYS A 65 5.525 -6.027 4.875 1.00 0.00 C ATOM 990 C LYS A 65 4.285 -5.265 4.415 1.00 0.00 C ATOM 991 O LYS A 65 4.372 -4.107 4.008 1.00 0.00 O ATOM 992 CB LYS A 65 6.014 -6.957 3.760 1.00 0.00 C ATOM 993 CG LYS A 65 7.477 -6.754 3.399 1.00 0.00 C ATOM 994 CD LYS A 65 8.045 -7.963 2.673 1.00 0.00 C ATOM 995 CE LYS A 65 8.983 -7.550 1.551 1.00 0.00 C ATOM 996 NZ LYS A 65 8.904 -8.478 0.390 1.00 0.00 N ATOM 0 H LYS A 65 5.386 -7.798 5.989 1.00 0.00 H new ATOM 0 HA LYS A 65 6.308 -5.303 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.864 -7.992 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.403 -6.798 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.578 -5.870 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.054 -6.568 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.580 -8.596 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.229 -8.560 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.736 -6.540 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.006 -7.523 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.559 -8.161 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.164 -9.438 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.933 -8.485 0.016 1.00 0.00 H new ATOM 1010 N LEU A 66 3.133 -5.924 4.484 1.00 0.00 N ATOM 1011 CA LEU A 66 1.875 -5.309 4.076 1.00 0.00 C ATOM 1012 C LEU A 66 1.581 -4.068 4.912 1.00 0.00 C ATOM 1013 O LEU A 66 1.087 -3.064 4.399 1.00 0.00 O ATOM 1014 CB LEU A 66 0.727 -6.311 4.206 1.00 0.00 C ATOM 1015 CG LEU A 66 -0.370 -6.180 3.148 1.00 0.00 C ATOM 1016 CD1 LEU A 66 0.226 -6.255 1.750 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.424 -7.260 3.338 1.00 0.00 C ATOM 0 H LEU A 66 3.044 -6.884 4.818 1.00 0.00 H new ATOM 0 HA LEU A 66 1.968 -5.008 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.138 -7.319 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.276 -6.197 5.192 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.849 -5.208 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.569 -6.160 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.944 -5.446 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.730 -7.213 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.197 -7.152 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.959 -8.242 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.872 -7.161 4.327 1.00 0.00 H new ATOM 1029 N ASP A 67 1.885 -4.146 6.203 1.00 0.00 N ATOM 1030 CA ASP A 67 1.653 -3.029 7.112 1.00 0.00 C ATOM 1031 C ASP A 67 2.445 -1.800 6.677 1.00 0.00 C ATOM 1032 O ASP A 67 1.994 -0.667 6.843 1.00 0.00 O ATOM 1033 CB ASP A 67 2.037 -3.418 8.540 1.00 0.00 C ATOM 1034 CG ASP A 67 1.279 -2.619 9.581 1.00 0.00 C ATOM 1035 OD1 ASP A 67 0.987 -1.432 9.322 1.00 0.00 O ATOM 1036 OD2 ASP A 67 0.977 -3.178 10.656 1.00 0.00 O ATOM 0 H ASP A 67 2.293 -4.971 6.644 1.00 0.00 H new ATOM 0 HA ASP A 67 0.591 -2.784 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.843 -4.480 8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.108 -3.267 8.679 1.00 0.00 H new ATOM 1041 N ARG A 68 3.630 -2.033 6.121 1.00 0.00 N ATOM 1042 CA ARG A 68 4.486 -0.946 5.662 1.00 0.00 C ATOM 1043 C ARG A 68 3.934 -0.320 4.385 1.00 0.00 C ATOM 1044 O ARG A 68 4.030 0.891 4.183 1.00 0.00 O ATOM 1045 CB ARG A 68 5.909 -1.456 5.420 1.00 0.00 C ATOM 1046 CG ARG A 68 6.985 -0.442 5.771 1.00 0.00 C ATOM 1047 CD ARG A 68 7.354 -0.507 7.244 1.00 0.00 C ATOM 1048 NE ARG A 68 6.649 0.503 8.031 1.00 0.00 N ATOM 1049 CZ ARG A 68 6.503 0.445 9.352 1.00 0.00 C ATOM 1050 NH1 ARG A 68 7.012 -0.571 10.039 1.00 0.00 N ATOM 1051 NH2 ARG A 68 5.849 1.405 9.989 1.00 0.00 N ATOM 0 H ARG A 68 4.019 -2.965 5.978 1.00 0.00 H new ATOM 0 HA ARG A 68 4.508 -0.182 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.067 -2.360 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.013 -1.736 4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.872 -0.626 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.635 0.561 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.120 -1.498 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.429 -0.367 7.355 1.00 0.00 H new ATOM 0 HE ARG A 68 6.245 1.299 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.518 -1.312 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.897 -0.610 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.457 2.189 9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.737 1.360 11.002 1.00 0.00 H new ATOM 1065 N LEU A 69 3.355 -1.154 3.527 1.00 0.00 N ATOM 1066 CA LEU A 69 2.787 -0.683 2.269 1.00 0.00 C ATOM 1067 C LEU A 69 1.682 0.338 2.520 1.00 0.00 C ATOM 1068 O LEU A 69 1.712 1.445 1.981 1.00 0.00 O ATOM 1069 CB LEU A 69 2.236 -1.861 1.463 1.00 0.00 C ATOM 1070 CG LEU A 69 2.020 -1.582 -0.026 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.296 -1.051 -0.661 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.553 -2.842 -0.740 1.00 0.00 C ATOM 0 H LEU A 69 3.267 -2.159 3.680 1.00 0.00 H new ATOM 0 HA LEU A 69 3.580 -0.200 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.921 -2.703 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.286 -2.169 1.901 1.00 0.00 H new ATOM 0 HG LEU A 69 1.246 -0.821 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.123 -0.859 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.590 -0.125 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.091 -1.789 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.404 -2.627 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.306 -3.622 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.614 -3.181 -0.303 1.00 0.00 H new ATOM 1084 N PHE A 70 0.708 -0.040 3.341 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.406 0.844 3.664 1.00 0.00 C ATOM 1086 C PHE A 70 0.091 2.136 4.305 1.00 0.00 C ATOM 1087 O PHE A 70 -0.521 3.192 4.149 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.388 0.140 4.604 1.00 0.00 C ATOM 1089 CG PHE A 70 -2.306 -0.820 3.903 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.818 -2.000 3.366 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.659 -0.542 3.781 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -2.661 -2.885 2.719 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -4.506 -1.423 3.136 1.00 0.00 C ATOM 1094 CZ PHE A 70 -4.007 -2.596 2.605 1.00 0.00 C ATOM 0 H PHE A 70 0.667 -0.953 3.795 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.918 1.094 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.826 -0.399 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.986 0.891 5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.767 -2.232 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.055 0.373 4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.268 -3.801 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.558 -1.194 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.668 -3.286 2.102 1.00 0.00 H new ATOM 1104 N GLU A 71 1.204 2.043 5.024 1.00 0.00 N ATOM 1105 CA GLU A 71 1.785 3.204 5.689 1.00 0.00 C ATOM 1106 C GLU A 71 2.239 4.245 4.669 1.00 0.00 C ATOM 1107 O GLU A 71 1.980 5.438 4.828 1.00 0.00 O ATOM 1108 CB GLU A 71 2.965 2.778 6.565 1.00 0.00 C ATOM 1109 CG GLU A 71 2.957 3.414 7.946 1.00 0.00 C ATOM 1110 CD GLU A 71 4.062 4.438 8.124 1.00 0.00 C ATOM 1111 OE1 GLU A 71 5.212 4.031 8.389 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.776 5.647 7.999 1.00 0.00 O ATOM 0 H GLU A 71 1.722 1.175 5.161 1.00 0.00 H new ATOM 0 HA GLU A 71 1.018 3.653 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.954 1.693 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.895 3.038 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.993 3.893 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.064 2.635 8.701 1.00 0.00 H new ATOM 1119 N ILE A 72 2.917 3.784 3.623 1.00 0.00 N ATOM 1120 CA ILE A 72 3.407 4.676 2.578 1.00 0.00 C ATOM 1121 C ILE A 72 2.301 5.020 1.586 1.00 0.00 C ATOM 1122 O ILE A 72 2.046 6.192 1.308 1.00 0.00 O ATOM 1123 CB ILE A 72 4.589 4.049 1.814 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.632 3.512 2.795 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.213 5.070 0.874 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.739 2.724 2.129 1.00 0.00 C ATOM 0 H ILE A 72 3.139 2.799 3.476 1.00 0.00 H new ATOM 0 HA ILE A 72 3.745 5.587 3.072 1.00 0.00 H new ATOM 0 HB ILE A 72 4.216 3.216 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.070 4.348 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.136 2.877 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.047 4.612 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.466 5.408 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.574 5.922 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.442 2.374 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.312 1.868 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.261 3.362 1.415 1.00 0.00 H new ATOM 1138 N ILE A 73 1.648 3.991 1.055 1.00 0.00 N ATOM 1139 CA ILE A 73 0.569 4.184 0.094 1.00 0.00 C ATOM 1140 C ILE A 73 -0.592 4.950 0.721 1.00 0.00 C ATOM 1141 O ILE A 73 -1.307 5.681 0.035 1.00 0.00 O ATOM 1142 CB ILE A 73 0.051 2.836 -0.448 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.211 2.005 -1.000 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -1.001 3.063 -1.523 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.931 2.665 -2.156 1.00 0.00 C ATOM 0 H ILE A 73 1.848 3.015 1.274 1.00 0.00 H new ATOM 0 HA ILE A 73 0.979 4.764 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.410 2.286 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.925 1.815 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.831 1.036 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.355 2.101 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.838 3.620 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.565 3.631 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.741 2.020 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.230 2.830 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.341 3.621 -1.831 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.773 4.778 2.025 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.848 5.460 2.721 1.00 0.00 C ATOM 1159 C GLY A 74 -1.692 6.968 2.696 1.00 0.00 C ATOM 1160 O GLY A 74 -2.677 7.702 2.775 1.00 0.00 O ATOM 0 H GLY A 74 -0.194 4.178 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.801 5.189 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.881 5.119 3.756 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.451 7.432 2.587 1.00 0.00 N ATOM 1165 CA VAL A 75 -0.170 8.862 2.551 1.00 0.00 C ATOM 1166 C VAL A 75 0.509 9.256 1.244 1.00 0.00 C ATOM 1167 O VAL A 75 1.316 10.184 1.207 1.00 0.00 O ATOM 1168 CB VAL A 75 0.724 9.291 3.731 1.00 0.00 C ATOM 1169 CG1 VAL A 75 0.786 10.808 3.834 1.00 0.00 C ATOM 1170 CG2 VAL A 75 0.224 8.680 5.031 1.00 0.00 C ATOM 0 H VAL A 75 0.376 6.838 2.522 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.129 9.374 2.628 1.00 0.00 H new ATOM 0 HB VAL A 75 1.733 8.923 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.422 11.090 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.198 11.219 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.218 11.203 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.868 8.994 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.796 9.014 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.241 7.593 4.952 1.00 0.00 H new ATOM 1180 N LYS A 76 0.175 8.545 0.172 1.00 0.00 N ATOM 1181 CA LYS A 76 0.750 8.820 -1.138 1.00 0.00 C ATOM 1182 C LYS A 76 -0.237 9.586 -2.014 1.00 0.00 C ATOM 1183 O LYS A 76 -0.020 10.754 -2.336 1.00 0.00 O ATOM 1184 CB LYS A 76 1.157 7.512 -1.825 1.00 0.00 C ATOM 1185 CG LYS A 76 2.661 7.348 -1.977 1.00 0.00 C ATOM 1186 CD LYS A 76 3.045 6.997 -3.407 1.00 0.00 C ATOM 1187 CE LYS A 76 3.300 5.507 -3.566 1.00 0.00 C ATOM 1188 NZ LYS A 76 2.137 4.805 -4.175 1.00 0.00 N ATOM 0 H LYS A 76 -0.492 7.773 0.186 1.00 0.00 H new ATOM 0 HA LYS A 76 1.637 9.438 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.764 6.672 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.694 7.469 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.160 8.271 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.012 6.567 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.249 7.305 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.939 7.552 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.182 5.354 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.518 5.070 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.394 3.817 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.334 4.827 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.870 5.280 -5.061 1.00 0.00 H new ATOM 1202 N SER A 77 -1.322 8.920 -2.394 1.00 0.00 N ATOM 1203 CA SER A 77 -2.345 9.537 -3.229 1.00 0.00 C ATOM 1204 C SER A 77 -3.531 8.598 -3.419 1.00 0.00 C ATOM 1205 O SER A 77 -3.454 7.411 -3.099 1.00 0.00 O ATOM 1206 CB SER A 77 -1.761 9.919 -4.590 1.00 0.00 C ATOM 1207 OG SER A 77 -2.458 11.017 -5.154 1.00 0.00 O ATOM 0 H SER A 77 -1.515 7.952 -2.137 1.00 0.00 H new ATOM 0 HA SER A 77 -2.694 10.438 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.707 10.172 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.814 9.065 -5.265 1.00 0.00 H new ATOM 0 HG SER A 77 -2.065 11.243 -6.023 1.00 0.00 H new ATOM 1213 N GLN A 78 -4.629 9.136 -3.939 1.00 0.00 N ATOM 1214 CA GLN A 78 -5.833 8.346 -4.171 1.00 0.00 C ATOM 1215 C GLN A 78 -5.618 7.339 -5.298 1.00 0.00 C ATOM 1216 O GLN A 78 -6.277 6.300 -5.348 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.011 9.262 -4.509 1.00 0.00 C ATOM 1218 CG GLN A 78 -6.791 10.106 -5.754 1.00 0.00 C ATOM 1219 CD GLN A 78 -7.120 9.359 -7.030 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -6.230 9.002 -7.801 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -8.406 9.118 -7.260 1.00 0.00 N ATOM 0 H GLN A 78 -4.710 10.117 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.057 7.797 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.905 8.654 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.201 9.922 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.407 11.003 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.752 10.434 -5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.111 9.432 -6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.688 8.619 -8.103 1.00 0.00 H new ATOM 1230 N GLU A 79 -4.695 7.653 -6.201 1.00 0.00 N ATOM 1231 CA GLU A 79 -4.397 6.774 -7.326 1.00 0.00 C ATOM 1232 C GLU A 79 -3.751 5.476 -6.851 1.00 0.00 C ATOM 1233 O GLU A 79 -3.912 4.427 -7.473 1.00 0.00 O ATOM 1234 CB GLU A 79 -3.477 7.482 -8.322 1.00 0.00 C ATOM 1235 CG GLU A 79 -3.866 7.259 -9.774 1.00 0.00 C ATOM 1236 CD GLU A 79 -3.664 8.495 -10.629 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -2.561 9.078 -10.578 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -4.609 8.880 -11.349 1.00 0.00 O ATOM 0 H GLU A 79 -4.141 8.509 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.337 6.528 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.484 8.552 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.455 7.134 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.276 6.439 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.911 6.955 -9.823 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.019 5.554 -5.743 1.00 0.00 N ATOM 1246 CA ALA A 80 -2.348 4.384 -5.187 1.00 0.00 C ATOM 1247 C ALA A 80 -3.155 3.782 -4.041 1.00 0.00 C ATOM 1248 O ALA A 80 -3.242 2.561 -3.905 1.00 0.00 O ATOM 1249 CB ALA A 80 -0.951 4.754 -4.713 1.00 0.00 C ATOM 0 H ALA A 80 -2.876 6.414 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.267 3.634 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.461 3.872 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.370 5.132 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.020 5.524 -3.944 1.00 0.00 H new ATOM 1255 N SER A 81 -3.741 4.645 -3.219 1.00 0.00 N ATOM 1256 CA SER A 81 -4.538 4.198 -2.083 1.00 0.00 C ATOM 1257 C SER A 81 -5.744 3.387 -2.547 1.00 0.00 C ATOM 1258 O SER A 81 -5.952 2.256 -2.106 1.00 0.00 O ATOM 1259 CB SER A 81 -5.005 5.398 -1.258 1.00 0.00 C ATOM 1260 OG SER A 81 -6.046 5.032 -0.368 1.00 0.00 O ATOM 0 H SER A 81 -3.679 5.658 -3.318 1.00 0.00 H new ATOM 0 HA SER A 81 -3.911 3.559 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.166 5.804 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.353 6.188 -1.924 1.00 0.00 H new ATOM 0 HG SER A 81 -6.848 5.559 -0.568 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.538 3.972 -3.438 1.00 0.00 N ATOM 1267 CA GLN A 82 -7.724 3.304 -3.961 1.00 0.00 C ATOM 1268 C GLN A 82 -7.357 1.995 -4.654 1.00 0.00 C ATOM 1269 O GLN A 82 -8.144 1.049 -4.673 1.00 0.00 O ATOM 1270 CB GLN A 82 -8.462 4.222 -4.938 1.00 0.00 C ATOM 1271 CG GLN A 82 -9.976 4.135 -4.831 1.00 0.00 C ATOM 1272 CD GLN A 82 -10.526 2.839 -5.394 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -10.864 2.756 -6.575 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -10.620 1.819 -4.549 1.00 0.00 N ATOM 0 H GLN A 82 -6.381 4.908 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.379 3.075 -3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.152 5.252 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.163 3.971 -5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.269 4.226 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.423 4.976 -5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.328 1.932 -3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.984 0.922 -4.871 1.00 0.00 H new ATOM 1283 N THR A 83 -6.157 1.949 -5.224 1.00 0.00 N ATOM 1284 CA THR A 83 -5.686 0.757 -5.919 1.00 0.00 C ATOM 1285 C THR A 83 -5.139 -0.271 -4.933 1.00 0.00 C ATOM 1286 O THR A 83 -5.214 -1.476 -5.172 1.00 0.00 O ATOM 1287 CB THR A 83 -4.606 1.128 -6.936 1.00 0.00 C ATOM 1288 OG1 THR A 83 -5.090 2.098 -7.848 1.00 0.00 O ATOM 1289 CG2 THR A 83 -4.112 -0.053 -7.743 1.00 0.00 C ATOM 0 H THR A 83 -5.493 2.724 -5.218 1.00 0.00 H new ATOM 0 HA THR A 83 -6.534 0.315 -6.442 1.00 0.00 H new ATOM 0 HB THR A 83 -3.776 1.517 -6.347 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.638 2.953 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.348 0.280 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.688 -0.800 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.944 -0.491 -8.294 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.588 0.213 -3.824 1.00 0.00 N ATOM 1298 CA LEU A 84 -4.026 -0.664 -2.803 1.00 0.00 C ATOM 1299 C LEU A 84 -5.123 -1.471 -2.115 1.00 0.00 C ATOM 1300 O LEU A 84 -4.958 -2.662 -1.852 1.00 0.00 O ATOM 1301 CB LEU A 84 -3.253 0.155 -1.768 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.513 -0.669 -0.713 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -1.221 -1.231 -1.286 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -2.229 0.176 0.519 1.00 0.00 C ATOM 0 H LEU A 84 -4.519 1.208 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.342 -1.358 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.530 0.783 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.950 0.824 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.149 -1.504 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.708 -1.814 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.449 -1.871 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.579 -0.411 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.702 -0.426 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.612 1.030 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.169 0.530 0.942 1.00 0.00 H new ATOM 1316 N LEU A 85 -6.240 -0.814 -1.824 1.00 0.00 N ATOM 1317 CA LEU A 85 -7.363 -1.471 -1.164 1.00 0.00 C ATOM 1318 C LEU A 85 -8.109 -2.383 -2.133 1.00 0.00 C ATOM 1319 O LEU A 85 -8.636 -3.424 -1.739 1.00 0.00 O ATOM 1320 CB LEU A 85 -8.322 -0.427 -0.587 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.762 0.392 0.577 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -8.267 1.826 0.513 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -8.137 -0.247 1.906 1.00 0.00 C ATOM 0 H LEU A 85 -6.392 0.172 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.968 -2.082 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.614 0.256 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.228 -0.933 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.675 0.407 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.858 2.393 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.950 2.282 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.356 1.831 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.731 0.348 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.222 -0.292 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.727 -1.256 1.953 1.00 0.00 H new ATOM 1335 N ASP A 86 -8.151 -1.985 -3.400 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.835 -2.766 -4.424 1.00 0.00 C ATOM 1337 C ASP A 86 -7.970 -3.934 -4.888 1.00 0.00 C ATOM 1338 O ASP A 86 -8.476 -5.019 -5.173 1.00 0.00 O ATOM 1339 CB ASP A 86 -9.196 -1.878 -5.616 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.561 -2.207 -6.189 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -11.476 -2.523 -5.400 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -10.715 -2.150 -7.428 1.00 0.00 O ATOM 0 H ASP A 86 -7.720 -1.126 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.750 -3.167 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.177 -0.833 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.441 -1.994 -6.394 1.00 0.00 H new ATOM 1347 N SER A 87 -6.663 -3.704 -4.962 1.00 0.00 N ATOM 1348 CA SER A 87 -5.728 -4.736 -5.394 1.00 0.00 C ATOM 1349 C SER A 87 -5.788 -5.949 -4.469 1.00 0.00 C ATOM 1350 O SER A 87 -5.745 -7.092 -4.924 1.00 0.00 O ATOM 1351 CB SER A 87 -4.303 -4.180 -5.431 1.00 0.00 C ATOM 1352 OG SER A 87 -3.393 -5.142 -5.935 1.00 0.00 O ATOM 0 H SER A 87 -6.228 -2.812 -4.728 1.00 0.00 H new ATOM 0 HA SER A 87 -6.014 -5.052 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.274 -3.286 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.001 -3.879 -4.428 1.00 0.00 H new ATOM 0 HG SER A 87 -2.490 -4.762 -5.950 1.00 0.00 H new ATOM 1358 N VAL A 88 -5.885 -5.691 -3.169 1.00 0.00 N ATOM 1359 CA VAL A 88 -5.949 -6.760 -2.181 1.00 0.00 C ATOM 1360 C VAL A 88 -7.169 -7.647 -2.408 1.00 0.00 C ATOM 1361 O VAL A 88 -7.044 -8.859 -2.582 1.00 0.00 O ATOM 1362 CB VAL A 88 -5.997 -6.198 -0.746 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -5.914 -7.323 0.274 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -4.880 -5.188 -0.529 1.00 0.00 C ATOM 0 H VAL A 88 -5.921 -4.751 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.043 -7.355 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.950 -5.686 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.949 -6.905 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.754 -8.004 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.979 -7.867 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.931 -4.803 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.916 -5.672 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.992 -4.365 -1.234 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.348 -7.035 -2.406 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.592 -7.770 -2.610 1.00 0.00 C ATOM 1376 C TYR A 89 -9.690 -8.290 -4.042 1.00 0.00 C ATOM 1377 O TYR A 89 -10.298 -9.331 -4.293 1.00 0.00 O ATOM 1378 CB TYR A 89 -10.794 -6.877 -2.298 1.00 0.00 C ATOM 1379 CG TYR A 89 -10.744 -6.255 -0.920 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -10.668 -7.047 0.218 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -10.773 -4.875 -0.759 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -10.622 -6.483 1.479 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -10.727 -4.303 0.499 1.00 0.00 C ATOM 1384 CZ TYR A 89 -10.651 -5.111 1.613 1.00 0.00 C ATOM 1385 OH TYR A 89 -10.606 -4.545 2.868 1.00 0.00 O ATOM 0 H TYR A 89 -8.469 -6.032 -2.265 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.595 -8.623 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.850 -6.084 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.707 -7.466 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.644 -8.122 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.832 -4.239 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.564 -7.113 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.750 -3.229 0.608 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.634 -3.569 2.788 1.00 0.00 H new ATOM 1395 N SER A 90 -9.090 -7.560 -4.975 1.00 0.00 N ATOM 1396 CA SER A 90 -9.112 -7.949 -6.381 1.00 0.00 C ATOM 1397 C SER A 90 -8.259 -9.190 -6.617 1.00 0.00 C ATOM 1398 O SER A 90 -8.616 -10.058 -7.415 1.00 0.00 O ATOM 1399 CB SER A 90 -8.614 -6.799 -7.257 1.00 0.00 C ATOM 1400 OG SER A 90 -8.682 -7.138 -8.632 1.00 0.00 O ATOM 0 H SER A 90 -8.583 -6.696 -4.784 1.00 0.00 H new ATOM 0 HA SER A 90 -10.142 -8.183 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.214 -5.908 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.586 -6.553 -6.990 1.00 0.00 H new ATOM 0 HG SER A 90 -8.360 -6.386 -9.171 1.00 0.00 H new ATOM 1406 N HIS A 91 -7.129 -9.268 -5.922 1.00 0.00 N ATOM 1407 CA HIS A 91 -6.225 -10.404 -6.059 1.00 0.00 C ATOM 1408 C HIS A 91 -6.622 -11.536 -5.116 1.00 0.00 C ATOM 1409 O HIS A 91 -6.477 -12.712 -5.448 1.00 0.00 O ATOM 1410 CB HIS A 91 -4.784 -9.971 -5.777 1.00 0.00 C ATOM 1411 CG HIS A 91 -4.025 -9.584 -7.009 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -4.154 -10.221 -8.222 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.111 -8.599 -7.198 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -3.333 -9.618 -9.093 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -2.677 -8.627 -8.521 1.00 0.00 N ATOM 0 H HIS A 91 -6.818 -8.559 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.295 -10.770 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.795 -9.128 -5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.259 -10.785 -5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.774 -7.904 -6.443 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.223 -9.906 -10.128 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.993 -8.009 -8.957 1.00 0.00 H new ATOM 1423 N LEU A 92 -7.121 -11.172 -3.939 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.536 -12.158 -2.948 1.00 0.00 C ATOM 1425 C LEU A 92 -9.055 -12.161 -2.784 1.00 0.00 C ATOM 1426 O LEU A 92 -9.594 -11.476 -1.915 1.00 0.00 O ATOM 1427 CB LEU A 92 -6.866 -11.873 -1.603 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.348 -12.061 -1.584 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -4.694 -11.037 -0.669 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -4.993 -13.474 -1.146 1.00 0.00 C ATOM 0 H LEU A 92 -7.248 -10.202 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.225 -13.142 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.094 -10.848 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.307 -12.525 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.969 -11.908 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.614 -11.187 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.921 -10.032 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.077 -11.157 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.909 -13.591 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.385 -13.654 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.430 -14.191 -1.841 1.00 0.00 H new ATOM 1442 N PRO A 93 -9.766 -12.936 -3.621 1.00 0.00 N ATOM 1443 CA PRO A 93 -11.228 -13.025 -3.565 1.00 0.00 C ATOM 1444 C PRO A 93 -11.715 -13.815 -2.355 1.00 0.00 C ATOM 1445 O PRO A 93 -12.802 -13.564 -1.834 1.00 0.00 O ATOM 1446 CB PRO A 93 -11.586 -13.756 -4.860 1.00 0.00 C ATOM 1447 CG PRO A 93 -10.384 -14.578 -5.171 1.00 0.00 C ATOM 1448 CD PRO A 93 -9.200 -13.785 -4.687 1.00 0.00 C ATOM 0 HA PRO A 93 -11.694 -12.044 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.471 -14.380 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.805 -13.054 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.434 -15.546 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.311 -14.773 -6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.411 -14.434 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.763 -13.187 -5.487 1.00 0.00 H new ATOM 1456 N ASP A 94 -10.904 -14.770 -1.912 1.00 0.00 N ATOM 1457 CA ASP A 94 -11.252 -15.597 -0.763 1.00 0.00 C ATOM 1458 C ASP A 94 -11.461 -14.739 0.483 1.00 0.00 C ATOM 1459 O ASP A 94 -12.274 -15.069 1.345 1.00 0.00 O ATOM 1460 CB ASP A 94 -10.158 -16.636 -0.506 1.00 0.00 C ATOM 1461 CG ASP A 94 -10.560 -18.023 -0.966 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -11.535 -18.573 -0.411 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -9.900 -18.561 -1.881 1.00 0.00 O ATOM 0 H ASP A 94 -10.001 -14.990 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.186 -16.112 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.246 -16.335 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.928 -16.662 0.559 1.00 0.00 H new ATOM 1468 N LEU A 95 -10.722 -13.638 0.567 1.00 0.00 N ATOM 1469 CA LEU A 95 -10.826 -12.733 1.706 1.00 0.00 C ATOM 1470 C LEU A 95 -12.215 -12.108 1.778 1.00 0.00 C ATOM 1471 O LEU A 95 -12.735 -11.851 2.863 1.00 0.00 O ATOM 1472 CB LEU A 95 -9.765 -11.636 1.611 1.00 0.00 C ATOM 1473 CG LEU A 95 -8.319 -12.121 1.728 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -7.351 -11.005 1.368 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -8.042 -12.636 3.132 1.00 0.00 C ATOM 0 H LEU A 95 -10.045 -13.351 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.660 -13.312 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.883 -11.119 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.951 -10.903 2.396 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.173 -12.942 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.327 -11.369 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.533 -10.682 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.497 -10.164 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.009 -12.977 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.206 -11.835 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.713 -13.466 3.354 1.00 0.00 H new