USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= 0.982 (180deg=0.586) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.76 F(o=-2.3,f=-1.8) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.636 USER MOD Single : A 26 SER OG : rot 17:sc= 0.354 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.226 F(o=-0.9,f=-0.23) USER MOD Single : A 69 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.14) USER MOD Single : A 75 MET CE :methyl 137:sc= -0.225 (180deg=-3.45!) USER MOD Single : A 88 GLN : amide:sc= -0.235 K(o=-0.23,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.187 12.519 -4.770 1.00 0.00 N ATOM 145 CA ILE A 14 3.849 11.955 -4.642 1.00 0.00 C ATOM 146 C ILE A 14 3.841 10.771 -3.681 1.00 0.00 C ATOM 147 O ILE A 14 4.390 9.710 -3.979 1.00 0.00 O ATOM 148 CB ILE A 14 3.298 11.498 -6.005 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.080 12.704 -6.922 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.000 10.726 -5.820 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.841 13.502 -6.586 1.00 0.00 C ATOM 0 HA ILE A 14 3.210 12.745 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 14 4.028 10.837 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.950 13.357 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.011 12.358 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.623 10.410 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.184 9.849 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.262 11.365 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.750 14.341 -7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.962 12.863 -6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.916 13.878 -5.566 1.00 0.00 H new ATOM 163 N THR A 15 3.213 10.959 -2.524 1.00 0.00 N ATOM 164 CA THR A 15 3.133 9.907 -1.518 1.00 0.00 C ATOM 165 C THR A 15 1.738 9.293 -1.476 1.00 0.00 C ATOM 166 O THR A 15 0.735 10.007 -1.427 1.00 0.00 O ATOM 167 CB THR A 15 3.489 10.441 -0.118 1.00 0.00 C ATOM 168 OG1 THR A 15 4.711 11.186 -0.174 1.00 0.00 O ATOM 169 CG2 THR A 15 3.633 9.298 0.876 1.00 0.00 C ATOM 0 H THR A 15 2.752 11.830 -2.261 1.00 0.00 H new ATOM 0 HA THR A 15 3.856 9.142 -1.801 1.00 0.00 H new ATOM 0 HB THR A 15 2.681 11.093 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.930 11.524 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.885 9.699 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.693 8.749 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.425 8.626 0.545 1.00 0.00 H new ATOM 177 N LEU A 16 1.680 7.966 -1.493 1.00 0.00 N ATOM 178 CA LEU A 16 0.407 7.255 -1.456 1.00 0.00 C ATOM 179 C LEU A 16 0.202 6.577 -0.105 1.00 0.00 C ATOM 180 O LEU A 16 1.153 6.367 0.648 1.00 0.00 O ATOM 181 CB LEU A 16 0.348 6.215 -2.575 1.00 0.00 C ATOM 182 CG LEU A 16 0.004 6.745 -3.967 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.286 5.690 -5.026 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.451 7.186 -4.025 1.00 0.00 C ATOM 0 H LEU A 16 2.500 7.361 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.392 7.982 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.314 5.713 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.390 5.460 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 16 0.634 7.611 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.035 6.086 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.342 5.423 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.317 4.804 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.678 7.560 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.098 6.338 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.621 7.976 -3.294 1.00 0.00 H new ATOM 196 N LYS A 17 -1.046 6.235 0.196 1.00 0.00 N ATOM 197 CA LYS A 17 -1.378 5.578 1.454 1.00 0.00 C ATOM 198 C LYS A 17 -2.021 4.217 1.204 1.00 0.00 C ATOM 199 O LYS A 17 -2.931 4.090 0.386 1.00 0.00 O ATOM 200 CB LYS A 17 -2.322 6.455 2.279 1.00 0.00 C ATOM 201 CG LYS A 17 -2.664 5.870 3.638 1.00 0.00 C ATOM 202 CD LYS A 17 -2.941 6.960 4.661 1.00 0.00 C ATOM 203 CE LYS A 17 -2.716 6.462 6.080 1.00 0.00 C ATOM 204 NZ LYS A 17 -1.292 6.596 6.495 1.00 0.00 N ATOM 0 H LYS A 17 -1.845 6.402 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.453 5.427 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.865 7.434 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.243 6.611 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.537 5.224 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.840 5.246 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.294 7.815 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.969 7.308 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.349 7.024 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.018 5.417 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.237 6.662 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.757 5.765 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.886 7.455 6.072 1.00 0.00 H new ATOM 218 N VAL A 18 -1.542 3.201 1.916 1.00 0.00 N ATOM 219 CA VAL A 18 -2.071 1.851 1.773 1.00 0.00 C ATOM 220 C VAL A 18 -2.517 1.290 3.119 1.00 0.00 C ATOM 221 O VAL A 18 -1.691 0.952 3.966 1.00 0.00 O ATOM 222 CB VAL A 18 -1.028 0.901 1.154 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.590 -0.507 1.038 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.579 1.418 -0.205 1.00 0.00 C ATOM 0 H VAL A 18 -0.788 3.288 2.598 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.931 1.918 1.107 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.159 0.866 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.839 -1.163 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.858 -0.874 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.476 -0.494 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.158 0.735 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.439 1.483 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.134 2.406 -0.089 1.00 0.00 H new ATOM 234 N ASP A 19 -3.828 1.194 3.308 1.00 0.00 N ATOM 235 CA ASP A 19 -4.385 0.672 4.551 1.00 0.00 C ATOM 236 C ASP A 19 -4.738 -0.806 4.410 1.00 0.00 C ATOM 237 O ASP A 19 -4.582 -1.392 3.340 1.00 0.00 O ATOM 238 CB ASP A 19 -5.627 1.469 4.953 1.00 0.00 C ATOM 239 CG ASP A 19 -5.288 2.680 5.800 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.605 3.591 5.288 1.00 0.00 O ATOM 241 OD2 ASP A 19 -5.708 2.716 6.976 1.00 0.00 O ATOM 0 H ASP A 19 -4.525 1.471 2.617 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.629 0.774 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.154 1.793 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.308 0.821 5.506 1.00 0.00 H new ATOM 246 N ASN A 20 -5.213 -1.402 5.499 1.00 0.00 N ATOM 247 CA ASN A 20 -5.586 -2.811 5.497 1.00 0.00 C ATOM 248 C ASN A 20 -4.412 -3.685 5.065 1.00 0.00 C ATOM 249 O ASN A 20 -4.537 -4.507 4.157 1.00 0.00 O ATOM 250 CB ASN A 20 -6.778 -3.044 4.567 1.00 0.00 C ATOM 251 CG ASN A 20 -7.197 -4.501 4.516 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.896 -4.878 3.453 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -6.894 -5.277 5.423 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.348 -0.931 6.394 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.867 -3.087 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.620 -2.438 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.523 -2.707 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.355 -4.942 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.182 -6.254 5.375 1.00 0.00 H new ATOM 260 N LEU A 21 -3.272 -3.501 5.723 1.00 0.00 N ATOM 261 CA LEU A 21 -2.075 -4.272 5.408 1.00 0.00 C ATOM 262 C LEU A 21 -1.724 -5.223 6.547 1.00 0.00 C ATOM 263 O LEU A 21 -1.041 -4.844 7.500 1.00 0.00 O ATOM 264 CB LEU A 21 -0.898 -3.334 5.131 1.00 0.00 C ATOM 265 CG LEU A 21 -0.922 -2.606 3.787 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.262 -1.658 3.672 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.921 -3.605 2.639 1.00 0.00 C ATOM 0 H LEU A 21 -3.152 -2.825 6.477 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.279 -4.863 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.859 -2.588 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.024 -3.913 5.192 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.838 -2.019 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.228 -1.149 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.217 -0.921 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.190 -2.224 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.938 -3.069 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.022 -4.220 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.802 -4.243 2.711 1.00 0.00 H new ATOM 279 N THR A 22 -2.194 -6.462 6.443 1.00 0.00 N ATOM 280 CA THR A 22 -1.930 -7.469 7.464 1.00 0.00 C ATOM 281 C THR A 22 -0.462 -7.463 7.875 1.00 0.00 C ATOM 282 O THR A 22 0.412 -7.103 7.086 1.00 0.00 O ATOM 283 CB THR A 22 -2.308 -8.879 6.973 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.955 -9.853 7.962 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.607 -9.202 5.663 1.00 0.00 C ATOM 0 H THR A 22 -2.760 -6.793 5.661 1.00 0.00 H new ATOM 0 HA THR A 22 -2.547 -7.215 8.326 1.00 0.00 H new ATOM 0 HB THR A 22 -3.385 -8.905 6.806 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.200 -10.747 7.643 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.890 -10.203 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.901 -8.476 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.528 -9.159 5.808 1.00 0.00 H new ATOM 293 N TYR A 23 -0.198 -7.864 9.113 1.00 0.00 N ATOM 294 CA TYR A 23 1.165 -7.903 9.629 1.00 0.00 C ATOM 295 C TYR A 23 2.139 -8.388 8.560 1.00 0.00 C ATOM 296 O TYR A 23 3.140 -7.731 8.272 1.00 0.00 O ATOM 297 CB TYR A 23 1.242 -8.813 10.856 1.00 0.00 C ATOM 298 CG TYR A 23 2.606 -9.431 11.067 1.00 0.00 C ATOM 299 CD1 TYR A 23 2.947 -10.635 10.463 1.00 0.00 C ATOM 300 CD2 TYR A 23 3.555 -8.809 11.870 1.00 0.00 C ATOM 301 CE1 TYR A 23 4.192 -11.203 10.654 1.00 0.00 C ATOM 302 CE2 TYR A 23 4.803 -9.369 12.065 1.00 0.00 C ATOM 303 CZ TYR A 23 5.116 -10.566 11.455 1.00 0.00 C ATOM 304 OH TYR A 23 6.358 -11.128 11.646 1.00 0.00 O ATOM 0 H TYR A 23 -0.910 -8.167 9.778 1.00 0.00 H new ATOM 0 HA TYR A 23 1.446 -6.890 9.918 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.972 -8.238 11.742 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.504 -9.608 10.755 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.226 -11.136 9.833 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.313 -7.872 12.350 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.440 -12.141 10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.529 -8.872 12.691 1.00 0.00 H new ATOM 0 HH TYR A 23 6.890 -10.553 12.235 1.00 0.00 H new ATOM 314 N ARG A 24 1.837 -9.542 7.974 1.00 0.00 N ATOM 315 CA ARG A 24 2.685 -10.116 6.936 1.00 0.00 C ATOM 316 C ARG A 24 3.270 -9.024 6.046 1.00 0.00 C ATOM 317 O ARG A 24 4.467 -9.019 5.755 1.00 0.00 O ATOM 318 CB ARG A 24 1.888 -11.109 6.088 1.00 0.00 C ATOM 319 CG ARG A 24 1.611 -12.427 6.792 1.00 0.00 C ATOM 320 CD ARG A 24 2.865 -13.281 6.890 1.00 0.00 C ATOM 321 NE ARG A 24 3.220 -13.882 5.608 1.00 0.00 N ATOM 322 CZ ARG A 24 4.418 -14.388 5.340 1.00 0.00 C ATOM 323 NH1 ARG A 24 5.372 -14.365 6.260 1.00 0.00 N ATOM 324 NH2 ARG A 24 4.664 -14.919 4.149 1.00 0.00 N ATOM 0 H ARG A 24 1.012 -10.098 8.200 1.00 0.00 H new ATOM 0 HA ARG A 24 3.506 -10.642 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.940 -10.652 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.435 -11.307 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.223 -12.232 7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.838 -12.974 6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.694 -12.668 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.711 -14.068 7.629 1.00 0.00 H new ATOM 0 HE ARG A 24 2.509 -13.915 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.187 -13.958 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.291 -14.754 6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.932 -14.939 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.585 -15.307 3.944 1.00 0.00 H new ATOM 338 N THR A 25 2.418 -8.100 5.614 1.00 0.00 N ATOM 339 CA THR A 25 2.849 -7.004 4.755 1.00 0.00 C ATOM 340 C THR A 25 4.262 -6.552 5.108 1.00 0.00 C ATOM 341 O THR A 25 4.626 -6.479 6.282 1.00 0.00 O ATOM 342 CB THR A 25 1.896 -5.799 4.861 1.00 0.00 C ATOM 343 OG1 THR A 25 0.568 -6.190 4.493 1.00 0.00 O ATOM 344 CG2 THR A 25 2.361 -4.660 3.966 1.00 0.00 C ATOM 0 H THR A 25 1.425 -8.089 5.845 1.00 0.00 H new ATOM 0 HA THR A 25 2.835 -7.380 3.732 1.00 0.00 H new ATOM 0 HB THR A 25 1.899 -5.452 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.144 -6.656 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.672 -3.820 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.360 -4.345 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.385 -4.998 2.930 1.00 0.00 H new ATOM 352 N SER A 26 5.054 -6.249 4.084 1.00 0.00 N ATOM 353 CA SER A 26 6.429 -5.807 4.287 1.00 0.00 C ATOM 354 C SER A 26 6.881 -4.899 3.147 1.00 0.00 C ATOM 355 O SER A 26 6.307 -4.895 2.058 1.00 0.00 O ATOM 356 CB SER A 26 7.364 -7.013 4.394 1.00 0.00 C ATOM 357 OG SER A 26 7.338 -7.564 5.700 1.00 0.00 O ATOM 0 H SER A 26 4.767 -6.301 3.106 1.00 0.00 H new ATOM 0 HA SER A 26 6.469 -5.241 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.068 -7.772 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.381 -6.712 4.143 1.00 0.00 H new ATOM 0 HG SER A 26 6.544 -7.241 6.175 1.00 0.00 H new ATOM 363 N PRO A 27 7.934 -4.110 3.403 1.00 0.00 N ATOM 364 CA PRO A 27 8.488 -3.182 2.412 1.00 0.00 C ATOM 365 C PRO A 27 8.643 -3.826 1.039 1.00 0.00 C ATOM 366 O PRO A 27 8.349 -3.208 0.016 1.00 0.00 O ATOM 367 CB PRO A 27 9.858 -2.821 2.991 1.00 0.00 C ATOM 368 CG PRO A 27 9.701 -2.979 4.464 1.00 0.00 C ATOM 369 CD PRO A 27 8.667 -4.062 4.680 1.00 0.00 C ATOM 0 HA PRO A 27 7.838 -2.322 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.637 -3.478 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.142 -1.801 2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.649 -3.252 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.381 -2.043 4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.134 -5.020 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.005 -3.822 5.512 1.00 0.00 H new ATOM 377 N ASP A 28 9.106 -5.071 1.023 1.00 0.00 N ATOM 378 CA ASP A 28 9.299 -5.800 -0.225 1.00 0.00 C ATOM 379 C ASP A 28 7.983 -5.934 -0.985 1.00 0.00 C ATOM 380 O ASP A 28 7.855 -5.459 -2.113 1.00 0.00 O ATOM 381 CB ASP A 28 9.885 -7.185 0.053 1.00 0.00 C ATOM 382 CG ASP A 28 9.199 -7.882 1.212 1.00 0.00 C ATOM 383 OD1 ASP A 28 9.538 -7.572 2.373 1.00 0.00 O ATOM 384 OD2 ASP A 28 8.325 -8.737 0.958 1.00 0.00 O ATOM 0 H ASP A 28 9.355 -5.597 1.861 1.00 0.00 H new ATOM 0 HA ASP A 28 9.998 -5.236 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.795 -7.801 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.949 -7.089 0.269 1.00 0.00 H new ATOM 389 N SER A 29 7.007 -6.585 -0.359 1.00 0.00 N ATOM 390 CA SER A 29 5.702 -6.786 -0.977 1.00 0.00 C ATOM 391 C SER A 29 5.045 -5.449 -1.306 1.00 0.00 C ATOM 392 O SER A 29 4.683 -5.187 -2.454 1.00 0.00 O ATOM 393 CB SER A 29 4.795 -7.599 -0.052 1.00 0.00 C ATOM 394 OG SER A 29 4.985 -8.990 -0.246 1.00 0.00 O ATOM 0 H SER A 29 7.096 -6.982 0.576 1.00 0.00 H new ATOM 0 HA SER A 29 5.849 -7.337 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.004 -7.341 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.753 -7.341 -0.241 1.00 0.00 H new ATOM 0 HG SER A 29 4.395 -9.488 0.358 1.00 0.00 H new ATOM 400 N LEU A 30 4.895 -4.606 -0.291 1.00 0.00 N ATOM 401 CA LEU A 30 4.281 -3.295 -0.469 1.00 0.00 C ATOM 402 C LEU A 30 4.847 -2.592 -1.699 1.00 0.00 C ATOM 403 O LEU A 30 4.133 -1.874 -2.400 1.00 0.00 O ATOM 404 CB LEU A 30 4.505 -2.431 0.773 1.00 0.00 C ATOM 405 CG LEU A 30 3.844 -1.052 0.761 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.345 -1.181 0.541 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.134 -0.310 2.057 1.00 0.00 C ATOM 0 H LEU A 30 5.190 -4.807 0.664 1.00 0.00 H new ATOM 0 HA LEU A 30 3.211 -3.440 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.141 -2.979 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.578 -2.296 0.908 1.00 0.00 H new ATOM 0 HG LEU A 30 4.263 -0.476 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.891 -0.190 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.158 -1.671 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.909 -1.775 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.656 0.669 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.744 -0.882 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.211 -0.185 2.172 1.00 0.00 H new ATOM 419 N ARG A 31 6.133 -2.805 -1.957 1.00 0.00 N ATOM 420 CA ARG A 31 6.794 -2.193 -3.103 1.00 0.00 C ATOM 421 C ARG A 31 6.467 -2.950 -4.387 1.00 0.00 C ATOM 422 O ARG A 31 6.084 -2.350 -5.392 1.00 0.00 O ATOM 423 CB ARG A 31 8.308 -2.162 -2.888 1.00 0.00 C ATOM 424 CG ARG A 31 9.041 -1.238 -3.848 1.00 0.00 C ATOM 425 CD ARG A 31 10.528 -1.549 -3.895 1.00 0.00 C ATOM 426 NE ARG A 31 11.273 -0.820 -2.872 1.00 0.00 N ATOM 427 CZ ARG A 31 11.406 -1.242 -1.619 1.00 0.00 C ATOM 428 NH1 ARG A 31 10.848 -2.382 -1.237 1.00 0.00 N ATOM 429 NH2 ARG A 31 12.099 -0.522 -0.746 1.00 0.00 N ATOM 0 H ARG A 31 6.738 -3.397 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 31 6.427 -1.171 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.515 -1.847 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.703 -3.172 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.616 -1.338 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.894 -0.202 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.679 -2.620 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.920 -1.294 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 31 11.715 0.061 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.315 -2.938 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.952 -2.703 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.530 0.356 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.201 -0.846 0.216 1.00 0.00 H new ATOM 443 N ARG A 32 6.622 -4.269 -4.347 1.00 0.00 N ATOM 444 CA ARG A 32 6.345 -5.107 -5.507 1.00 0.00 C ATOM 445 C ARG A 32 4.928 -4.871 -6.022 1.00 0.00 C ATOM 446 O ARG A 32 4.601 -5.225 -7.155 1.00 0.00 O ATOM 447 CB ARG A 32 6.530 -6.583 -5.152 1.00 0.00 C ATOM 448 CG ARG A 32 7.951 -7.084 -5.352 1.00 0.00 C ATOM 449 CD ARG A 32 7.978 -8.565 -5.695 1.00 0.00 C ATOM 450 NE ARG A 32 7.285 -8.849 -6.949 1.00 0.00 N ATOM 451 CZ ARG A 32 7.239 -10.053 -7.507 1.00 0.00 C ATOM 452 NH1 ARG A 32 7.842 -11.081 -6.924 1.00 0.00 N ATOM 453 NH2 ARG A 32 6.588 -10.232 -8.649 1.00 0.00 N ATOM 0 H ARG A 32 6.938 -4.781 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 32 7.049 -4.838 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.243 -6.737 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.853 -7.182 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.429 -6.516 -6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.530 -6.909 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.012 -8.901 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.515 -9.133 -4.888 1.00 0.00 H new ATOM 0 HE ARG A 32 6.810 -8.080 -7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.342 -10.947 -6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.805 -12.005 -7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.122 -9.444 -9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.553 -11.157 -9.077 1.00 0.00 H new ATOM 467 N VAL A 33 4.091 -4.269 -5.183 1.00 0.00 N ATOM 468 CA VAL A 33 2.710 -3.985 -5.553 1.00 0.00 C ATOM 469 C VAL A 33 2.640 -2.908 -6.630 1.00 0.00 C ATOM 470 O VAL A 33 1.994 -3.089 -7.663 1.00 0.00 O ATOM 471 CB VAL A 33 1.884 -3.531 -4.335 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.464 -3.179 -4.753 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.880 -4.610 -3.263 1.00 0.00 C ATOM 0 H VAL A 33 4.346 -3.969 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 33 2.290 -4.912 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 33 2.346 -2.637 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.104 -2.861 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.490 -2.370 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.012 -4.054 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.292 -4.273 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.442 -5.523 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.903 -4.809 -2.943 1.00 0.00 H new ATOM 483 N PHE A 34 3.310 -1.788 -6.383 1.00 0.00 N ATOM 484 CA PHE A 34 3.324 -0.680 -7.331 1.00 0.00 C ATOM 485 C PHE A 34 4.612 -0.680 -8.149 1.00 0.00 C ATOM 486 O PHE A 34 5.029 0.354 -8.669 1.00 0.00 O ATOM 487 CB PHE A 34 3.174 0.652 -6.594 1.00 0.00 C ATOM 488 CG PHE A 34 2.187 0.605 -5.463 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.923 0.069 -5.652 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.523 1.096 -4.212 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.012 0.023 -4.613 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.616 1.052 -3.169 1.00 0.00 C ATOM 493 CZ PHE A 34 0.359 0.516 -3.371 1.00 0.00 C ATOM 0 H PHE A 34 3.851 -1.623 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 34 2.482 -0.807 -8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.146 0.954 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.864 1.418 -7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.646 -0.317 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.504 1.518 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.970 -0.398 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.890 1.436 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.351 0.483 -2.558 1.00 0.00 H new ATOM 503 N GLU A 35 5.238 -1.848 -8.255 1.00 0.00 N ATOM 504 CA GLU A 35 6.480 -1.983 -9.008 1.00 0.00 C ATOM 505 C GLU A 35 6.196 -2.269 -10.480 1.00 0.00 C ATOM 506 O GLU A 35 6.884 -1.763 -11.366 1.00 0.00 O ATOM 507 CB GLU A 35 7.342 -3.101 -8.417 1.00 0.00 C ATOM 508 CG GLU A 35 8.297 -2.626 -7.335 1.00 0.00 C ATOM 509 CD GLU A 35 9.547 -1.981 -7.902 1.00 0.00 C ATOM 510 OE1 GLU A 35 10.121 -2.541 -8.859 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.950 -0.916 -7.389 1.00 0.00 O ATOM 0 H GLU A 35 4.906 -2.714 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 35 7.022 -1.040 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.690 -3.870 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.916 -3.567 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.784 -1.912 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.581 -3.472 -6.709 1.00 0.00 H new ATOM 518 N LYS A 36 5.177 -3.083 -10.732 1.00 0.00 N ATOM 519 CA LYS A 36 4.800 -3.437 -12.095 1.00 0.00 C ATOM 520 C LYS A 36 4.278 -2.218 -12.849 1.00 0.00 C ATOM 521 O LYS A 36 3.989 -2.292 -14.044 1.00 0.00 O ATOM 522 CB LYS A 36 3.736 -4.537 -12.082 1.00 0.00 C ATOM 523 CG LYS A 36 4.195 -5.820 -11.412 1.00 0.00 C ATOM 524 CD LYS A 36 3.114 -6.888 -11.452 1.00 0.00 C ATOM 525 CE LYS A 36 2.073 -6.668 -10.366 1.00 0.00 C ATOM 526 NZ LYS A 36 1.006 -7.707 -10.402 1.00 0.00 N ATOM 0 H LYS A 36 4.597 -3.510 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 36 5.689 -3.806 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.849 -4.166 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.442 -4.758 -13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.092 -6.190 -11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.466 -5.614 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.630 -6.881 -12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.568 -7.871 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.558 -6.679 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.624 -5.682 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.316 -7.522 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.526 -7.680 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.431 -8.646 -10.261 1.00 0.00 H new ATOM 540 N TYR A 37 4.160 -1.098 -12.145 1.00 0.00 N ATOM 541 CA TYR A 37 3.672 0.136 -12.747 1.00 0.00 C ATOM 542 C TYR A 37 4.759 1.207 -12.752 1.00 0.00 C ATOM 543 O TYR A 37 5.157 1.699 -13.807 1.00 0.00 O ATOM 544 CB TYR A 37 2.442 0.645 -11.994 1.00 0.00 C ATOM 545 CG TYR A 37 1.327 -0.372 -11.898 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.701 -0.855 -13.040 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.901 -0.850 -10.664 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.319 -1.783 -12.956 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.117 -1.779 -10.572 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.724 -2.242 -11.720 1.00 0.00 C ATOM 551 OH TYR A 37 -1.738 -3.168 -11.633 1.00 0.00 O ATOM 0 H TYR A 37 4.396 -1.020 -11.156 1.00 0.00 H new ATOM 0 HA TYR A 37 3.394 -0.079 -13.779 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.739 0.942 -10.988 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.066 1.539 -12.492 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.017 -0.499 -14.010 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.374 -0.489 -9.763 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.797 -2.147 -13.854 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.436 -2.141 -9.606 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.901 -3.387 -10.692 1.00 0.00 H new ATOM 561 N GLY A 38 5.235 1.563 -11.563 1.00 0.00 N ATOM 562 CA GLY A 38 6.272 2.572 -11.451 1.00 0.00 C ATOM 563 C GLY A 38 7.331 2.205 -10.431 1.00 0.00 C ATOM 564 O GLY A 38 7.186 1.224 -9.702 1.00 0.00 O ATOM 0 H GLY A 38 4.921 1.171 -10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.743 2.714 -12.424 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.820 3.524 -11.174 1.00 0.00 H new ATOM 568 N ARG A 39 8.399 2.994 -10.379 1.00 0.00 N ATOM 569 CA ARG A 39 9.488 2.745 -9.442 1.00 0.00 C ATOM 570 C ARG A 39 9.219 3.424 -8.102 1.00 0.00 C ATOM 571 O ARG A 39 9.429 4.628 -7.951 1.00 0.00 O ATOM 572 CB ARG A 39 10.812 3.245 -10.022 1.00 0.00 C ATOM 573 CG ARG A 39 11.429 2.298 -11.038 1.00 0.00 C ATOM 574 CD ARG A 39 12.869 2.673 -11.348 1.00 0.00 C ATOM 575 NE ARG A 39 13.785 2.247 -10.293 1.00 0.00 N ATOM 576 CZ ARG A 39 15.089 2.498 -10.307 1.00 0.00 C ATOM 577 NH1 ARG A 39 15.628 3.169 -11.316 1.00 0.00 N ATOM 578 NH2 ARG A 39 15.858 2.077 -9.310 1.00 0.00 N ATOM 0 H ARG A 39 8.534 3.811 -10.975 1.00 0.00 H new ATOM 0 HA ARG A 39 9.554 1.669 -9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.649 4.214 -10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.519 3.402 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.392 1.278 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.842 2.315 -11.956 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.167 2.218 -12.292 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.943 3.753 -11.478 1.00 0.00 H new ATOM 0 HE ARG A 39 13.402 1.728 -9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.041 3.494 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.630 3.360 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.447 1.560 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.859 2.270 -9.322 1.00 0.00 H new ATOM 592 N VAL A 40 8.751 2.644 -7.133 1.00 0.00 N ATOM 593 CA VAL A 40 8.453 3.169 -5.806 1.00 0.00 C ATOM 594 C VAL A 40 9.604 4.020 -5.280 1.00 0.00 C ATOM 595 O VAL A 40 10.737 3.553 -5.173 1.00 0.00 O ATOM 596 CB VAL A 40 8.169 2.034 -4.804 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.284 2.542 -3.375 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.795 1.433 -5.055 1.00 0.00 C ATOM 0 H VAL A 40 8.570 1.646 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 40 7.562 3.789 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 40 8.914 1.252 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.080 1.726 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.292 2.921 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.563 3.343 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.611 0.633 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.034 2.205 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.753 1.030 -6.067 1.00 0.00 H new ATOM 608 N GLY A 41 9.304 5.274 -4.953 1.00 0.00 N ATOM 609 CA GLY A 41 10.324 6.171 -4.442 1.00 0.00 C ATOM 610 C GLY A 41 10.788 5.789 -3.051 1.00 0.00 C ATOM 611 O GLY A 41 11.967 5.505 -2.839 1.00 0.00 O ATOM 0 H GLY A 41 8.373 5.684 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.178 6.169 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.933 7.188 -4.425 1.00 0.00 H new ATOM 615 N ASP A 42 9.860 5.782 -2.100 1.00 0.00 N ATOM 616 CA ASP A 42 10.181 5.432 -0.721 1.00 0.00 C ATOM 617 C ASP A 42 9.073 4.585 -0.104 1.00 0.00 C ATOM 618 O ASP A 42 7.893 4.780 -0.395 1.00 0.00 O ATOM 619 CB ASP A 42 10.397 6.697 0.111 1.00 0.00 C ATOM 620 CG ASP A 42 10.526 6.400 1.592 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.618 5.968 2.018 1.00 0.00 O ATOM 622 OD2 ASP A 42 9.535 6.599 2.326 1.00 0.00 O ATOM 0 H ASP A 42 8.880 6.015 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 42 11.101 4.847 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.297 7.206 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.563 7.380 -0.048 1.00 0.00 H new ATOM 627 N VAL A 43 9.461 3.643 0.750 1.00 0.00 N ATOM 628 CA VAL A 43 8.500 2.767 1.409 1.00 0.00 C ATOM 629 C VAL A 43 8.639 2.840 2.926 1.00 0.00 C ATOM 630 O VAL A 43 9.557 2.258 3.504 1.00 0.00 O ATOM 631 CB VAL A 43 8.675 1.304 0.959 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.411 0.505 1.238 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.040 1.241 -0.517 1.00 0.00 C ATOM 0 H VAL A 43 10.434 3.467 1.001 1.00 0.00 H new ATOM 0 HA VAL A 43 7.507 3.113 1.121 1.00 0.00 H new ATOM 0 HB VAL A 43 9.490 0.861 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.553 -0.526 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.198 0.523 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.575 0.945 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.160 0.200 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.248 1.701 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.974 1.777 -0.684 1.00 0.00 H new ATOM 643 N TYR A 44 7.723 3.559 3.564 1.00 0.00 N ATOM 644 CA TYR A 44 7.744 3.710 5.014 1.00 0.00 C ATOM 645 C TYR A 44 6.566 2.982 5.655 1.00 0.00 C ATOM 646 O TYR A 44 5.445 3.026 5.149 1.00 0.00 O ATOM 647 CB TYR A 44 7.709 5.191 5.394 1.00 0.00 C ATOM 648 CG TYR A 44 7.819 5.438 6.881 1.00 0.00 C ATOM 649 CD1 TYR A 44 9.031 5.287 7.543 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.710 5.820 7.626 1.00 0.00 C ATOM 651 CE1 TYR A 44 9.136 5.511 8.902 1.00 0.00 C ATOM 652 CE2 TYR A 44 6.806 6.047 8.985 1.00 0.00 C ATOM 653 CZ TYR A 44 8.021 5.891 9.619 1.00 0.00 C ATOM 654 OH TYR A 44 8.120 6.115 10.973 1.00 0.00 O ATOM 0 H TYR A 44 6.956 4.047 3.100 1.00 0.00 H new ATOM 0 HA TYR A 44 8.668 3.267 5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.525 5.707 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.780 5.629 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.907 4.989 6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.756 5.942 7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.086 5.389 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.934 6.345 9.548 1.00 0.00 H new ATOM 0 HH TYR A 44 7.244 6.376 11.326 1.00 0.00 H new ATOM 664 N ILE A 45 6.830 2.312 6.772 1.00 0.00 N ATOM 665 CA ILE A 45 5.794 1.576 7.484 1.00 0.00 C ATOM 666 C ILE A 45 5.865 1.837 8.984 1.00 0.00 C ATOM 667 O ILE A 45 6.647 1.222 9.710 1.00 0.00 O ATOM 668 CB ILE A 45 5.906 0.060 7.232 1.00 0.00 C ATOM 669 CG1 ILE A 45 6.047 -0.221 5.735 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.693 -0.662 7.801 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.564 -1.609 5.427 1.00 0.00 C ATOM 0 H ILE A 45 7.753 2.264 7.203 1.00 0.00 H new ATOM 0 HA ILE A 45 4.837 1.930 7.102 1.00 0.00 H new ATOM 0 HB ILE A 45 6.797 -0.313 7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.077 -0.089 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.722 0.515 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.786 -1.732 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.634 -0.484 8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.789 -0.288 7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.639 -1.738 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.548 -1.739 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.878 -2.352 5.835 1.00 0.00 H new ATOM 683 N PRO A 46 5.030 2.771 9.463 1.00 0.00 N ATOM 684 CA PRO A 46 4.977 3.134 10.882 1.00 0.00 C ATOM 685 C PRO A 46 4.286 2.070 11.728 1.00 0.00 C ATOM 686 O PRO A 46 3.623 1.177 11.199 1.00 0.00 O ATOM 687 CB PRO A 46 4.165 4.431 10.887 1.00 0.00 C ATOM 688 CG PRO A 46 3.295 4.338 9.681 1.00 0.00 C ATOM 689 CD PRO A 46 4.071 3.544 8.655 1.00 0.00 C ATOM 0 HA PRO A 46 5.973 3.237 11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.572 4.523 11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.815 5.305 10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.352 3.847 9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.051 5.330 9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.418 2.891 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.580 4.196 7.945 1.00 0.00 H new ATOM 851 N GLY A 56 -1.893 -0.381 10.574 1.00 0.00 N ATOM 852 CA GLY A 56 -2.781 -0.804 9.507 1.00 0.00 C ATOM 853 C GLY A 56 -2.725 0.117 8.305 1.00 0.00 C ATOM 854 O GLY A 56 -3.690 0.222 7.548 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.516 -1.815 9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.803 -0.843 9.883 1.00 0.00 H new ATOM 858 N PHE A 57 -1.592 0.790 8.130 1.00 0.00 N ATOM 859 CA PHE A 57 -1.414 1.710 7.013 1.00 0.00 C ATOM 860 C PHE A 57 0.067 1.962 6.746 1.00 0.00 C ATOM 861 O PHE A 57 0.868 2.060 7.675 1.00 0.00 O ATOM 862 CB PHE A 57 -2.125 3.035 7.298 1.00 0.00 C ATOM 863 CG PHE A 57 -1.841 3.586 8.666 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.636 4.213 8.938 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.779 3.475 9.680 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.372 4.721 10.196 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.520 3.982 10.940 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.315 4.604 11.198 1.00 0.00 C ATOM 0 H PHE A 57 -0.784 0.715 8.748 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.852 1.253 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.823 3.768 6.550 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.200 2.892 7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.105 4.306 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.722 2.987 9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.571 5.209 10.395 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.260 3.891 11.722 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.110 4.999 12.182 1.00 0.00 H new ATOM 878 N ALA A 58 0.423 2.065 5.470 1.00 0.00 N ATOM 879 CA ALA A 58 1.806 2.307 5.080 1.00 0.00 C ATOM 880 C ALA A 58 1.917 3.531 4.177 1.00 0.00 C ATOM 881 O ALA A 58 0.909 4.070 3.720 1.00 0.00 O ATOM 882 CB ALA A 58 2.380 1.082 4.384 1.00 0.00 C ATOM 0 H ALA A 58 -0.228 1.985 4.689 1.00 0.00 H new ATOM 0 HA ALA A 58 2.383 2.502 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.414 1.277 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.346 0.229 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.793 0.861 3.493 1.00 0.00 H new ATOM 888 N PHE A 59 3.147 3.965 3.924 1.00 0.00 N ATOM 889 CA PHE A 59 3.388 5.127 3.077 1.00 0.00 C ATOM 890 C PHE A 59 4.331 4.777 1.929 1.00 0.00 C ATOM 891 O PHE A 59 5.477 4.384 2.150 1.00 0.00 O ATOM 892 CB PHE A 59 3.976 6.274 3.903 1.00 0.00 C ATOM 893 CG PHE A 59 2.946 7.038 4.685 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.098 7.931 4.051 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.827 6.862 6.054 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.150 8.636 4.769 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.881 7.564 6.778 1.00 0.00 C ATOM 898 CZ PHE A 59 1.041 8.451 6.134 1.00 0.00 C ATOM 0 H PHE A 59 3.992 3.530 4.293 1.00 0.00 H new ATOM 0 HA PHE A 59 2.433 5.443 2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.719 5.872 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.498 6.961 3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.178 8.078 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.481 6.168 6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.495 9.331 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.799 7.419 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.300 8.999 6.696 1.00 0.00 H new ATOM 908 N VAL A 60 3.840 4.922 0.703 1.00 0.00 N ATOM 909 CA VAL A 60 4.637 4.622 -0.481 1.00 0.00 C ATOM 910 C VAL A 60 4.506 5.725 -1.525 1.00 0.00 C ATOM 911 O VAL A 60 3.417 5.982 -2.038 1.00 0.00 O ATOM 912 CB VAL A 60 4.222 3.280 -1.112 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.234 2.848 -2.162 1.00 0.00 C ATOM 914 CG2 VAL A 60 4.065 2.213 -0.039 1.00 0.00 C ATOM 0 H VAL A 60 2.894 5.246 0.503 1.00 0.00 H new ATOM 0 HA VAL A 60 5.675 4.555 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 60 3.258 3.412 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.924 1.898 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.291 3.604 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.213 2.732 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.771 1.271 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.012 2.080 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.299 2.522 0.672 1.00 0.00 H new ATOM 924 N ARG A 61 5.624 6.373 -1.837 1.00 0.00 N ATOM 925 CA ARG A 61 5.634 7.449 -2.820 1.00 0.00 C ATOM 926 C ARG A 61 6.243 6.976 -4.137 1.00 0.00 C ATOM 927 O ARG A 61 6.751 5.858 -4.233 1.00 0.00 O ATOM 928 CB ARG A 61 6.418 8.650 -2.286 1.00 0.00 C ATOM 929 CG ARG A 61 7.855 8.322 -1.913 1.00 0.00 C ATOM 930 CD ARG A 61 8.665 9.582 -1.655 1.00 0.00 C ATOM 931 NE ARG A 61 10.077 9.403 -1.982 1.00 0.00 N ATOM 932 CZ ARG A 61 10.995 10.348 -1.819 1.00 0.00 C ATOM 933 NH1 ARG A 61 10.652 11.534 -1.335 1.00 0.00 N ATOM 934 NH2 ARG A 61 12.260 10.109 -2.140 1.00 0.00 N ATOM 0 H ARG A 61 6.534 6.171 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 61 4.602 7.750 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.418 9.438 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.906 9.047 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.866 7.692 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.318 7.748 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.257 10.402 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.569 9.866 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 61 10.374 8.502 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.681 11.722 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.360 12.258 -1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.528 9.198 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.964 10.836 -2.014 1.00 0.00 H new ATOM 948 N PHE A 62 6.187 7.834 -5.151 1.00 0.00 N ATOM 949 CA PHE A 62 6.731 7.503 -6.463 1.00 0.00 C ATOM 950 C PHE A 62 7.569 8.655 -7.010 1.00 0.00 C ATOM 951 O PHE A 62 7.639 9.728 -6.409 1.00 0.00 O ATOM 952 CB PHE A 62 5.600 7.172 -7.439 1.00 0.00 C ATOM 953 CG PHE A 62 4.784 5.980 -7.028 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.049 5.999 -5.853 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.751 4.842 -7.817 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.298 4.903 -5.473 1.00 0.00 C ATOM 957 CE2 PHE A 62 4.001 3.743 -7.442 1.00 0.00 C ATOM 958 CZ PHE A 62 3.273 3.774 -6.269 1.00 0.00 C ATOM 0 H PHE A 62 5.771 8.763 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 62 7.373 6.629 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.944 8.038 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.024 6.989 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.063 6.880 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.318 4.813 -8.736 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.731 4.929 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.984 2.861 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.685 2.917 -5.974 1.00 0.00 H new ATOM 968 N HIS A 63 8.206 8.424 -8.154 1.00 0.00 N ATOM 969 CA HIS A 63 9.040 9.442 -8.783 1.00 0.00 C ATOM 970 C HIS A 63 8.208 10.339 -9.695 1.00 0.00 C ATOM 971 O HIS A 63 8.476 11.534 -9.819 1.00 0.00 O ATOM 972 CB HIS A 63 10.166 8.786 -9.583 1.00 0.00 C ATOM 973 CG HIS A 63 11.074 7.934 -8.750 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.539 6.678 -8.950 1.00 0.00 N flip ATOM 975 CD2 HIS A 63 11.609 8.353 -7.551 1.00 0.00 C flip ATOM 976 CE1 HIS A 63 12.339 6.366 -7.879 1.00 0.00 C flip ATOM 977 NE2 HIS A 63 12.366 7.393 -7.049 1.00 0.00 N flip ATOM 0 H HIS A 63 8.161 7.542 -8.664 1.00 0.00 H new ATOM 0 HA HIS A 63 9.475 10.058 -7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.731 8.174 -10.373 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.755 9.563 -10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.437 9.316 -7.093 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.862 5.432 -7.738 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.883 7.438 -6.171 1.00 0.00 H new ATOM 985 N ASP A 64 7.199 9.754 -10.331 1.00 0.00 N ATOM 986 CA ASP A 64 6.328 10.500 -11.232 1.00 0.00 C ATOM 987 C ASP A 64 4.933 10.654 -10.634 1.00 0.00 C ATOM 988 O ASP A 64 4.649 10.137 -9.554 1.00 0.00 O ATOM 989 CB ASP A 64 6.240 9.799 -12.588 1.00 0.00 C ATOM 990 CG ASP A 64 5.895 10.755 -13.713 1.00 0.00 C ATOM 991 OD1 ASP A 64 6.125 11.971 -13.549 1.00 0.00 O ATOM 992 OD2 ASP A 64 5.393 10.287 -14.757 1.00 0.00 O ATOM 0 H ASP A 64 6.964 8.766 -10.239 1.00 0.00 H new ATOM 0 HA ASP A 64 6.756 11.493 -11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.192 9.315 -12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.486 9.013 -12.539 1.00 0.00 H new ATOM 997 N ARG A 65 4.066 11.370 -11.344 1.00 0.00 N ATOM 998 CA ARG A 65 2.702 11.594 -10.883 1.00 0.00 C ATOM 999 C ARG A 65 1.749 10.564 -11.482 1.00 0.00 C ATOM 1000 O ARG A 65 1.019 9.885 -10.759 1.00 0.00 O ATOM 1001 CB ARG A 65 2.241 13.005 -11.252 1.00 0.00 C ATOM 1002 CG ARG A 65 2.867 14.094 -10.395 1.00 0.00 C ATOM 1003 CD ARG A 65 2.075 15.389 -10.473 1.00 0.00 C ATOM 1004 NE ARG A 65 2.503 16.226 -11.591 1.00 0.00 N ATOM 1005 CZ ARG A 65 1.857 17.320 -11.980 1.00 0.00 C ATOM 1006 NH1 ARG A 65 0.759 17.706 -11.345 1.00 0.00 N ATOM 1007 NH2 ARG A 65 2.310 18.029 -13.006 1.00 0.00 N ATOM 0 H ARG A 65 4.285 11.804 -12.241 1.00 0.00 H new ATOM 0 HA ARG A 65 2.690 11.487 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.481 13.195 -12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.156 13.060 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.917 13.759 -9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.891 14.272 -10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.015 15.160 -10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.192 15.942 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 65 3.344 15.956 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.409 17.163 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.265 18.546 -11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.154 17.734 -13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.814 18.869 -13.304 1.00 0.00 H new ATOM 1021 N ARG A 66 1.761 10.454 -12.806 1.00 0.00 N ATOM 1022 CA ARG A 66 0.897 9.508 -13.502 1.00 0.00 C ATOM 1023 C ARG A 66 0.993 8.120 -12.875 1.00 0.00 C ATOM 1024 O ARG A 66 0.000 7.577 -12.390 1.00 0.00 O ATOM 1025 CB ARG A 66 1.272 9.437 -14.984 1.00 0.00 C ATOM 1026 CG ARG A 66 0.748 10.605 -15.802 1.00 0.00 C ATOM 1027 CD ARG A 66 1.435 10.691 -17.155 1.00 0.00 C ATOM 1028 NE ARG A 66 0.917 11.791 -17.964 1.00 0.00 N ATOM 1029 CZ ARG A 66 -0.250 11.752 -18.596 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -1.017 10.674 -18.514 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -0.653 12.794 -19.313 1.00 0.00 N ATOM 0 H ARG A 66 2.359 11.008 -13.418 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.131 9.859 -13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.358 9.400 -15.074 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.885 8.508 -15.404 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.327 10.497 -15.945 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.905 11.534 -15.254 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.507 10.822 -17.009 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.299 9.752 -17.691 1.00 0.00 H new ATOM 0 HE ARG A 66 1.483 12.636 -18.048 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.711 9.871 -17.964 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.913 10.647 -19.001 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.066 13.626 -19.379 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.550 12.763 -19.798 1.00 0.00 H new ATOM 1045 N ASP A 67 2.194 7.553 -12.888 1.00 0.00 N ATOM 1046 CA ASP A 67 2.420 6.229 -12.320 1.00 0.00 C ATOM 1047 C ASP A 67 1.614 6.042 -11.039 1.00 0.00 C ATOM 1048 O ASP A 67 0.909 5.046 -10.877 1.00 0.00 O ATOM 1049 CB ASP A 67 3.908 6.020 -12.036 1.00 0.00 C ATOM 1050 CG ASP A 67 4.742 5.995 -13.302 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.311 6.596 -14.308 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.825 5.374 -13.287 1.00 0.00 O ATOM 0 H ASP A 67 3.026 7.989 -13.285 1.00 0.00 H new ATOM 0 HA ASP A 67 2.089 5.488 -13.047 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.266 6.817 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.044 5.083 -11.497 1.00 0.00 H new ATOM 1057 N ALA A 68 1.723 7.006 -10.131 1.00 0.00 N ATOM 1058 CA ALA A 68 1.004 6.949 -8.865 1.00 0.00 C ATOM 1059 C ALA A 68 -0.496 6.790 -9.092 1.00 0.00 C ATOM 1060 O ALA A 68 -1.117 5.866 -8.567 1.00 0.00 O ATOM 1061 CB ALA A 68 1.285 8.196 -8.040 1.00 0.00 C ATOM 0 H ALA A 68 2.303 7.837 -10.249 1.00 0.00 H new ATOM 0 HA ALA A 68 1.357 6.076 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.741 8.139 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.354 8.266 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.962 9.078 -8.592 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.070 7.696 -9.876 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.497 7.656 -10.170 1.00 0.00 C ATOM 1069 C GLN A 69 -2.924 6.259 -10.607 1.00 0.00 C ATOM 1070 O GLN A 69 -3.945 5.740 -10.154 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.843 8.672 -11.261 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.169 10.055 -10.722 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.480 10.092 -9.961 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -5.556 9.972 -10.549 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.397 10.257 -8.646 1.00 0.00 N ATOM 0 H GLN A 69 -0.569 8.466 -10.319 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.037 7.913 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.005 8.749 -11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.695 8.303 -11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.363 10.384 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.214 10.762 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.484 10.352 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.246 10.288 -8.081 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.137 5.654 -11.490 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.433 4.316 -11.988 1.00 0.00 C ATOM 1086 C ASP A 70 -2.365 3.290 -10.862 1.00 0.00 C ATOM 1087 O ASP A 70 -3.312 2.538 -10.635 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.456 3.935 -13.101 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.892 4.454 -14.457 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.686 5.417 -14.496 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.442 3.895 -15.480 1.00 0.00 O ATOM 0 H ASP A 70 -1.289 6.069 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.446 4.321 -12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.468 4.330 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.363 2.850 -13.143 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.237 3.264 -10.159 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.045 2.331 -9.055 1.00 0.00 C ATOM 1098 C ALA A 71 -2.227 2.370 -8.092 1.00 0.00 C ATOM 1099 O ALA A 71 -2.618 1.345 -7.534 1.00 0.00 O ATOM 1100 CB ALA A 71 0.249 2.643 -8.319 1.00 0.00 C ATOM 0 H ALA A 71 -0.442 3.879 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.980 1.325 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.379 1.939 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.089 2.556 -9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.207 3.658 -7.924 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.790 3.559 -7.901 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.926 3.730 -7.003 1.00 0.00 C ATOM 1108 C GLU A 72 -5.148 2.978 -7.522 1.00 0.00 C ATOM 1109 O GLU A 72 -5.511 1.925 -6.998 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.258 5.215 -6.842 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.506 5.474 -6.015 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.770 5.483 -6.852 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.933 6.414 -7.668 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.595 4.560 -6.692 1.00 0.00 O ATOM 0 H GLU A 72 -2.478 4.417 -8.356 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.653 3.318 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.412 5.719 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.388 5.659 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.591 4.709 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.406 6.432 -5.504 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.778 3.526 -8.556 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.958 2.907 -9.147 1.00 0.00 C ATOM 1123 C ALA A 73 -6.763 1.404 -9.315 1.00 0.00 C ATOM 1124 O ALA A 73 -7.592 0.609 -8.874 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.277 3.553 -10.487 1.00 0.00 C ATOM 0 H ALA A 73 -5.491 4.397 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.798 3.065 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.160 3.081 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.468 4.616 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.432 3.425 -11.163 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.663 1.023 -9.955 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.360 -0.385 -10.180 1.00 0.00 C ATOM 1133 C ALA A 74 -5.706 -1.224 -8.955 1.00 0.00 C ATOM 1134 O ALA A 74 -6.574 -2.094 -9.012 1.00 0.00 O ATOM 1135 CB ALA A 74 -3.892 -0.557 -10.542 1.00 0.00 C ATOM 0 H ALA A 74 -4.967 1.669 -10.327 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.972 -0.734 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.679 -1.613 -10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.673 0.004 -11.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.270 -0.185 -9.728 1.00 0.00 H new ATOM 1141 N MET A 75 -5.021 -0.956 -7.847 1.00 0.00 N ATOM 1142 CA MET A 75 -5.258 -1.687 -6.608 1.00 0.00 C ATOM 1143 C MET A 75 -6.591 -1.285 -5.986 1.00 0.00 C ATOM 1144 O MET A 75 -7.482 -2.117 -5.812 1.00 0.00 O ATOM 1145 CB MET A 75 -4.121 -1.433 -5.616 1.00 0.00 C ATOM 1146 CG MET A 75 -2.980 -2.430 -5.730 1.00 0.00 C ATOM 1147 SD MET A 75 -3.211 -3.875 -4.678 1.00 0.00 S ATOM 1148 CE MET A 75 -2.458 -5.151 -5.684 1.00 0.00 C ATOM 0 H MET A 75 -4.298 -0.239 -7.783 1.00 0.00 H new ATOM 0 HA MET A 75 -5.294 -2.751 -6.844 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.731 -0.427 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.520 -1.465 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.887 -2.752 -6.767 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.045 -1.938 -5.464 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.846 -5.797 -5.054 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.237 -5.744 -6.163 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.832 -4.690 -6.448 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.721 -0.006 -5.652 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.946 0.507 -5.049 1.00 0.00 C ATOM 1160 C ASP A 76 -9.168 -0.221 -5.601 1.00 0.00 C ATOM 1161 O ASP A 76 -9.650 0.091 -6.690 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.074 2.010 -5.302 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.519 2.462 -5.383 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.098 2.789 -4.327 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -10.071 2.487 -6.504 1.00 0.00 O ATOM 0 H ASP A 76 -5.993 0.695 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.895 0.331 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.570 2.554 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.564 2.264 -6.231 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.665 -1.193 -4.842 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.826 -1.950 -5.272 1.00 0.00 C ATOM 1172 C GLY A 77 -10.461 -3.328 -5.787 1.00 0.00 C ATOM 1173 O GLY A 77 -11.073 -3.828 -6.730 1.00 0.00 O ATOM 0 H GLY A 77 -9.284 -1.470 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.520 -2.049 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.346 -1.399 -6.055 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.459 -3.944 -5.167 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.013 -5.272 -5.568 1.00 0.00 C ATOM 1179 C ALA A 78 -9.470 -6.330 -4.569 1.00 0.00 C ATOM 1180 O ALA A 78 -10.106 -6.012 -3.564 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.499 -5.300 -5.714 1.00 0.00 C ATOM 0 H ALA A 78 -8.941 -3.544 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.464 -5.503 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.181 -6.298 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.193 -4.579 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.037 -5.043 -4.761 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.142 -7.586 -4.852 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.521 -8.690 -3.977 1.00 0.00 C ATOM 1189 C GLU A 79 -8.286 -9.406 -3.439 1.00 0.00 C ATOM 1190 O GLU A 79 -7.724 -10.281 -4.098 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.412 -9.682 -4.728 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.942 -10.806 -3.853 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.793 -11.794 -4.626 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -12.819 -11.371 -5.200 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.435 -12.990 -4.657 1.00 0.00 O ATOM 0 H GLU A 79 -8.615 -7.865 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.077 -8.278 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.254 -9.144 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.846 -10.112 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.104 -11.333 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.532 -10.382 -3.040 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.867 -9.026 -2.236 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.697 -9.631 -1.607 1.00 0.00 C ATOM 1204 C LEU A 80 -6.867 -9.697 -0.093 1.00 0.00 C ATOM 1205 O LEU A 80 -7.413 -8.780 0.521 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.438 -8.836 -1.957 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.049 -8.812 -3.436 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.086 -7.668 -3.715 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.434 -10.141 -3.848 1.00 0.00 C ATOM 0 H LEU A 80 -8.320 -8.303 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.594 -10.647 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.577 -7.808 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.603 -9.247 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.951 -8.654 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.820 -7.666 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.562 -6.721 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.185 -7.796 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.164 -10.105 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.542 -10.330 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.155 -10.942 -3.685 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.393 -10.785 0.503 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.488 -10.970 1.946 1.00 0.00 C ATOM 1223 C ASP A 81 -7.946 -10.996 2.395 1.00 0.00 C ATOM 1224 O ASP A 81 -8.264 -10.630 3.526 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.737 -9.855 2.675 1.00 0.00 C ATOM 1226 CG ASP A 81 -5.717 -10.057 4.178 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -5.730 -11.225 4.620 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -5.686 -9.047 4.911 1.00 0.00 O ATOM 0 H ASP A 81 -5.939 -11.553 0.009 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.032 -11.928 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.713 -9.808 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.204 -8.897 2.446 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.828 -11.431 1.500 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.241 -11.496 1.823 1.00 0.00 C ATOM 1235 C GLY A 82 -10.837 -10.129 2.097 1.00 0.00 C ATOM 1236 O GLY A 82 -11.820 -10.009 2.828 1.00 0.00 O ATOM 0 H GLY A 82 -8.589 -11.739 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.778 -11.964 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.382 -12.132 2.697 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.239 -9.097 1.512 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.714 -7.732 1.700 1.00 0.00 C ATOM 1242 C ARG A 83 -10.279 -6.840 0.541 1.00 0.00 C ATOM 1243 O ARG A 83 -9.418 -7.215 -0.253 1.00 0.00 O ATOM 1244 CB ARG A 83 -10.190 -7.163 3.020 1.00 0.00 C ATOM 1245 CG ARG A 83 -11.096 -7.444 4.207 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.831 -6.479 5.352 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.488 -6.900 6.586 1.00 0.00 N ATOM 1248 CZ ARG A 83 -11.177 -6.419 7.785 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -10.224 -5.506 7.910 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -11.820 -6.852 8.862 1.00 0.00 N ATOM 0 H ARG A 83 -9.424 -9.180 0.904 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.803 -7.755 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.203 -7.581 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.064 -6.085 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.138 -7.365 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.942 -8.467 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.757 -6.403 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.181 -5.484 5.076 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.226 -7.602 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.727 -5.171 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.987 -5.139 8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.554 -7.555 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.581 -6.482 9.782 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.881 -5.658 0.452 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.555 -4.714 -0.611 1.00 0.00 C ATOM 1266 C GLU A 84 -9.463 -3.746 -0.164 1.00 0.00 C ATOM 1267 O GLU A 84 -9.744 -2.611 0.221 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.803 -3.933 -1.029 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.588 -4.596 -2.149 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.358 -5.815 -1.680 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.211 -5.667 -0.780 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.107 -6.917 -2.211 1.00 0.00 O ATOM 0 H GLU A 84 -11.596 -5.332 1.102 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.186 -5.282 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.453 -3.813 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.507 -2.933 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.284 -3.874 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.902 -4.888 -2.945 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.217 -4.205 -0.217 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.082 -3.381 0.183 1.00 0.00 C ATOM 1281 C LEU A 85 -7.300 -1.924 -0.212 1.00 0.00 C ATOM 1282 O LEU A 85 -7.456 -1.607 -1.392 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.795 -3.908 -0.456 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.325 -5.284 0.017 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.223 -5.812 -0.888 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.846 -5.217 1.460 1.00 0.00 C ATOM 0 H LEU A 85 -7.968 -5.142 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.990 -3.433 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.939 -3.947 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.998 -3.189 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.169 -5.972 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.901 -6.792 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.599 -5.898 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.377 -5.125 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.515 -6.205 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.016 -4.514 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.663 -4.883 2.100 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.307 -1.042 0.781 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.504 0.382 0.537 1.00 0.00 C ATOM 1300 C ARG A 86 -6.214 1.034 0.049 1.00 0.00 C ATOM 1301 O ARG A 86 -5.389 1.477 0.849 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.990 1.077 1.811 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.873 2.285 1.547 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.341 1.895 1.466 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.666 1.249 0.198 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.805 0.604 -0.027 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.723 0.521 0.926 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.029 0.041 -1.208 1.00 0.00 N ATOM 0 H ARG A 86 -7.179 -1.288 1.763 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.261 0.491 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.542 0.360 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.125 1.391 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.734 3.019 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.570 2.762 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.583 1.222 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.960 2.784 1.589 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.981 1.295 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.555 0.953 1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.597 0.025 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.326 0.103 -1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.904 -0.454 -1.379 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.047 1.090 -1.268 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.858 1.688 -1.863 1.00 0.00 C ATOM 1324 C VAL A 87 -5.186 3.022 -2.524 1.00 0.00 C ATOM 1325 O VAL A 87 -5.549 3.070 -3.699 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.222 0.752 -2.908 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.833 1.243 -3.290 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.166 -0.674 -2.382 1.00 0.00 C ATOM 0 H VAL A 87 -6.720 0.728 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.147 1.852 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.843 0.760 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.399 0.569 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.905 2.246 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.199 1.266 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.714 -1.321 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.568 -0.703 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.176 -1.021 -2.164 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.055 4.102 -1.761 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.338 5.438 -2.274 1.00 0.00 C ATOM 1340 C GLN A 88 -4.339 6.453 -1.729 1.00 0.00 C ATOM 1341 O GLN A 88 -3.478 6.117 -0.915 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.762 5.857 -1.905 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.985 6.001 -0.408 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.454 6.090 -0.043 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.039 5.130 0.460 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -9.058 7.245 -0.294 1.00 0.00 N ATOM 0 H GLN A 88 -4.755 4.079 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.244 5.411 -3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.990 6.806 -2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.462 5.121 -2.299 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.538 5.150 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.471 6.894 -0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.534 8.014 -0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.046 7.363 -0.069 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.459 7.696 -2.184 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.566 8.761 -1.742 1.00 0.00 C ATOM 1357 C VAL A 89 -3.834 9.134 -0.288 1.00 0.00 C ATOM 1358 O VAL A 89 -4.963 9.035 0.192 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.716 10.019 -2.618 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.730 11.093 -2.184 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.524 9.670 -4.086 1.00 0.00 C ATOM 0 H VAL A 89 -5.166 7.990 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.549 8.381 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.724 10.412 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.851 11.974 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.919 11.362 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.713 10.714 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.633 10.570 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.528 9.252 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.273 8.937 -4.387 1.00 0.00 H new