USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN : amide:sc= -2.36 K(o=-11,f=-17!) USER MOD Set 1.2: A 77 ASN : amide:sc= -8.21! C(o=-11!,f=-6.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -60:sc= -2.56! USER MOD Single : A 15 ASN : amide:sc= -2.97! C(o=-3!,f=-3.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 29 GLN : amide:sc= -2.59! C(o=-2.6!,f=-5.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0367) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.00073) USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= -0.367 (180deg=-1.03) USER MOD Single : A 44 ASN : amide:sc= -0.0193 K(o=-0.019,f=-3.1!) USER MOD Single : A 62 TYR OH : rot -67:sc= -2.5! USER MOD Single : A 63 ASN : amide:sc= -2.66! C(o=-2.7!,f=-1.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -140:sc= -1.58! USER MOD Single : A 85 GLN : amide:sc= -5.43! C(o=-5.4!,f=-8.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.963 K(o=-0.96,f=-0.37) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -6.714 -2.005 -10.820 1.00 0.00 N ATOM 160 CA LYS A 12 -6.373 -0.558 -10.638 1.00 0.00 C ATOM 161 C LYS A 12 -7.560 0.109 -9.952 1.00 0.00 C ATOM 162 O LYS A 12 -8.053 1.129 -10.389 1.00 0.00 O ATOM 163 CB LYS A 12 -6.130 0.133 -11.985 1.00 0.00 C ATOM 164 CG LYS A 12 -7.302 -0.151 -12.930 1.00 0.00 C ATOM 165 CD LYS A 12 -7.348 0.922 -14.020 1.00 0.00 C ATOM 166 CE LYS A 12 -8.762 1.003 -14.598 1.00 0.00 C ATOM 167 NZ LYS A 12 -9.026 2.391 -15.072 1.00 0.00 N ATOM 0 HA LYS A 12 -5.461 -0.474 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.020 1.208 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.200 -0.225 -12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.190 -1.137 -13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.239 -0.159 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.057 1.888 -13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.634 0.685 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.870 0.299 -15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.493 0.721 -13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.987 2.447 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.939 3.053 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.336 2.644 -15.808 1.00 0.00 H new ATOM 181 N ASP A 13 -8.042 -0.481 -8.896 1.00 0.00 N ATOM 182 CA ASP A 13 -9.222 0.092 -8.198 1.00 0.00 C ATOM 183 C ASP A 13 -8.826 0.639 -6.821 1.00 0.00 C ATOM 184 O ASP A 13 -8.450 1.785 -6.688 1.00 0.00 O ATOM 185 CB ASP A 13 -10.270 -1.008 -8.046 1.00 0.00 C ATOM 186 CG ASP A 13 -10.593 -1.581 -9.423 1.00 0.00 C ATOM 187 OD1 ASP A 13 -10.071 -1.056 -10.394 1.00 0.00 O ATOM 188 OD2 ASP A 13 -11.353 -2.532 -9.487 1.00 0.00 O ATOM 0 H ASP A 13 -7.668 -1.337 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.626 0.920 -8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.898 -1.794 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.172 -0.607 -7.584 1.00 0.00 H new ATOM 193 N THR A 14 -8.929 -0.166 -5.796 1.00 0.00 N ATOM 194 CA THR A 14 -8.584 0.298 -4.428 1.00 0.00 C ATOM 195 C THR A 14 -7.074 0.223 -4.205 1.00 0.00 C ATOM 196 O THR A 14 -6.597 -0.499 -3.352 1.00 0.00 O ATOM 197 CB THR A 14 -9.289 -0.589 -3.400 1.00 0.00 C ATOM 198 OG1 THR A 14 -8.991 -0.123 -2.091 1.00 0.00 O ATOM 199 CG2 THR A 14 -8.810 -2.032 -3.552 1.00 0.00 C ATOM 0 H THR A 14 -9.241 -1.135 -5.854 1.00 0.00 H new ATOM 0 HA THR A 14 -8.908 1.332 -4.315 1.00 0.00 H new ATOM 0 HB THR A 14 -10.366 -0.549 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.023 -0.165 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.314 -2.662 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.041 -2.388 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.733 -2.077 -3.390 1.00 0.00 H new ATOM 207 N ASN A 15 -6.321 0.991 -4.935 1.00 0.00 N ATOM 208 CA ASN A 15 -4.846 0.990 -4.727 1.00 0.00 C ATOM 209 C ASN A 15 -4.594 1.807 -3.463 1.00 0.00 C ATOM 210 O ASN A 15 -5.447 2.562 -3.043 1.00 0.00 O ATOM 211 CB ASN A 15 -4.153 1.654 -5.919 1.00 0.00 C ATOM 212 CG ASN A 15 -4.866 2.966 -6.258 1.00 0.00 C ATOM 213 OD1 ASN A 15 -5.814 2.976 -7.017 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.450 4.079 -5.722 1.00 0.00 N ATOM 0 H ASN A 15 -6.659 1.618 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.457 -0.024 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.106 1.847 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.168 0.986 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.921 4.957 -5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.654 4.072 -5.084 1.00 0.00 H new ATOM 221 N LEU A 16 -3.469 1.672 -2.827 1.00 0.00 N ATOM 222 CA LEU A 16 -3.279 2.469 -1.583 1.00 0.00 C ATOM 223 C LEU A 16 -1.879 3.067 -1.507 1.00 0.00 C ATOM 224 O LEU A 16 -0.882 2.377 -1.591 1.00 0.00 O ATOM 225 CB LEU A 16 -3.572 1.611 -0.335 1.00 0.00 C ATOM 226 CG LEU A 16 -2.689 0.355 -0.261 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.066 -0.435 0.993 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.938 -0.533 -1.479 1.00 0.00 C ATOM 0 H LEU A 16 -2.695 1.067 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.989 3.295 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.417 2.213 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.621 1.314 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.641 0.654 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.447 -1.330 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.904 0.184 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.116 -0.723 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.308 -1.420 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.986 -0.833 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.698 0.020 -2.387 1.00 0.00 H new ATOM 240 N TYR A 17 -1.813 4.361 -1.327 1.00 0.00 N ATOM 241 CA TYR A 17 -0.495 5.042 -1.216 1.00 0.00 C ATOM 242 C TYR A 17 -0.039 4.951 0.236 1.00 0.00 C ATOM 243 O TYR A 17 -0.664 5.495 1.126 1.00 0.00 O ATOM 244 CB TYR A 17 -0.637 6.513 -1.616 1.00 0.00 C ATOM 245 CG TYR A 17 0.685 7.024 -2.138 1.00 0.00 C ATOM 246 CD1 TYR A 17 1.879 6.645 -1.511 1.00 0.00 C ATOM 247 CD2 TYR A 17 0.716 7.875 -3.249 1.00 0.00 C ATOM 248 CE1 TYR A 17 3.105 7.119 -1.997 1.00 0.00 C ATOM 249 CE2 TYR A 17 1.942 8.347 -3.735 1.00 0.00 C ATOM 250 CZ TYR A 17 3.135 7.969 -3.108 1.00 0.00 C ATOM 251 OH TYR A 17 4.343 8.435 -3.589 1.00 0.00 O ATOM 0 H TYR A 17 -2.623 4.976 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 17 0.232 4.568 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.407 6.620 -2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.954 7.105 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.855 5.988 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.205 8.168 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.026 6.828 -1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.967 9.002 -4.593 1.00 0.00 H new ATOM 0 HH TYR A 17 4.185 9.012 -4.365 1.00 0.00 H new ATOM 261 N VAL A 18 1.028 4.255 0.491 1.00 0.00 N ATOM 262 CA VAL A 18 1.494 4.121 1.895 1.00 0.00 C ATOM 263 C VAL A 18 2.440 5.262 2.247 1.00 0.00 C ATOM 264 O VAL A 18 3.277 5.651 1.461 1.00 0.00 O ATOM 265 CB VAL A 18 2.224 2.793 2.062 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.279 1.642 1.716 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.428 2.755 1.126 1.00 0.00 C ATOM 0 H VAL A 18 1.596 3.775 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 18 0.630 4.156 2.559 1.00 0.00 H new ATOM 0 HB VAL A 18 2.559 2.692 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.802 0.693 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.416 1.667 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.944 1.744 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.951 1.806 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.090 2.857 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.104 3.575 1.369 1.00 0.00 H new ATOM 277 N THR A 19 2.322 5.799 3.425 1.00 0.00 N ATOM 278 CA THR A 19 3.238 6.911 3.816 1.00 0.00 C ATOM 279 C THR A 19 4.092 6.469 5.008 1.00 0.00 C ATOM 280 O THR A 19 3.984 5.356 5.483 1.00 0.00 O ATOM 281 CB THR A 19 2.418 8.147 4.190 1.00 0.00 C ATOM 282 OG1 THR A 19 1.175 8.109 3.504 1.00 0.00 O ATOM 283 CG2 THR A 19 3.183 9.410 3.794 1.00 0.00 C ATOM 0 H THR A 19 1.640 5.523 4.131 1.00 0.00 H new ATOM 0 HA THR A 19 3.890 7.159 2.978 1.00 0.00 H new ATOM 0 HB THR A 19 2.242 8.156 5.266 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.646 8.899 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.597 10.289 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.138 9.437 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.361 9.406 2.719 1.00 0.00 H new ATOM 291 N ASN A 20 4.949 7.330 5.491 1.00 0.00 N ATOM 292 CA ASN A 20 5.817 6.953 6.643 1.00 0.00 C ATOM 293 C ASN A 20 6.634 5.712 6.275 1.00 0.00 C ATOM 294 O ASN A 20 6.243 4.595 6.548 1.00 0.00 O ATOM 295 CB ASN A 20 4.947 6.647 7.865 1.00 0.00 C ATOM 296 CG ASN A 20 5.487 7.405 9.080 1.00 0.00 C ATOM 297 OD1 ASN A 20 6.032 6.810 9.989 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.359 8.702 9.134 1.00 0.00 N ATOM 0 H ASN A 20 5.085 8.277 5.137 1.00 0.00 H new ATOM 0 HA ASN A 20 6.489 7.779 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.914 6.938 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.945 5.575 8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.716 9.217 9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.902 9.202 8.371 1.00 0.00 H new ATOM 305 N LEU A 21 7.767 5.899 5.653 1.00 0.00 N ATOM 306 CA LEU A 21 8.605 4.729 5.265 1.00 0.00 C ATOM 307 C LEU A 21 10.029 5.201 4.946 1.00 0.00 C ATOM 308 O LEU A 21 10.214 6.159 4.223 1.00 0.00 O ATOM 309 CB LEU A 21 8.005 4.060 4.026 1.00 0.00 C ATOM 310 CG LEU A 21 7.251 2.796 4.439 1.00 0.00 C ATOM 311 CD1 LEU A 21 5.991 2.653 3.583 1.00 0.00 C ATOM 312 CD2 LEU A 21 8.148 1.574 4.228 1.00 0.00 C ATOM 0 H LEU A 21 8.148 6.810 5.397 1.00 0.00 H new ATOM 0 HA LEU A 21 8.633 4.016 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.329 4.749 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.795 3.809 3.318 1.00 0.00 H new ATOM 0 HG LEU A 21 6.973 2.867 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.452 1.752 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.351 3.523 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.271 2.582 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.610 0.673 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.426 1.504 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.048 1.674 4.835 1.00 0.00 H new ATOM 324 N PRO A 22 10.989 4.505 5.496 1.00 0.00 N ATOM 325 CA PRO A 22 12.394 4.892 5.234 1.00 0.00 C ATOM 326 C PRO A 22 13.065 3.861 4.322 1.00 0.00 C ATOM 327 O PRO A 22 14.118 3.338 4.631 1.00 0.00 O ATOM 328 CB PRO A 22 13.054 4.901 6.613 1.00 0.00 C ATOM 329 CG PRO A 22 12.194 3.990 7.508 1.00 0.00 C ATOM 330 CD PRO A 22 10.816 3.887 6.833 1.00 0.00 C ATOM 0 HA PRO A 22 12.476 5.856 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.079 4.535 6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.099 5.913 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.650 3.005 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.104 4.406 8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.496 2.848 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.054 4.409 7.412 1.00 0.00 H new ATOM 338 N ARG A 23 12.462 3.569 3.203 1.00 0.00 N ATOM 339 CA ARG A 23 13.058 2.575 2.265 1.00 0.00 C ATOM 340 C ARG A 23 13.613 1.387 3.058 1.00 0.00 C ATOM 341 O ARG A 23 14.760 1.015 2.915 1.00 0.00 O ATOM 342 CB ARG A 23 14.191 3.234 1.476 1.00 0.00 C ATOM 343 CG ARG A 23 13.597 4.138 0.392 1.00 0.00 C ATOM 344 CD ARG A 23 14.725 4.735 -0.451 1.00 0.00 C ATOM 345 NE ARG A 23 14.194 5.123 -1.789 1.00 0.00 N ATOM 346 CZ ARG A 23 14.995 5.639 -2.681 1.00 0.00 C ATOM 347 NH1 ARG A 23 16.285 5.480 -2.569 1.00 0.00 N ATOM 348 NH2 ARG A 23 14.507 6.316 -3.684 1.00 0.00 N ATOM 0 H ARG A 23 11.579 3.977 2.896 1.00 0.00 H new ATOM 0 HA ARG A 23 12.290 2.223 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.824 3.817 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.824 2.472 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.919 3.566 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.010 4.935 0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.147 5.606 0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.531 4.010 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 23 13.207 4.986 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.668 4.952 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.911 5.883 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.499 6.442 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.134 6.719 -4.381 1.00 0.00 H new ATOM 362 N THR A 24 12.807 0.791 3.897 1.00 0.00 N ATOM 363 CA THR A 24 13.292 -0.369 4.700 1.00 0.00 C ATOM 364 C THR A 24 12.904 -1.676 4.003 1.00 0.00 C ATOM 365 O THR A 24 13.496 -2.712 4.234 1.00 0.00 O ATOM 366 CB THR A 24 12.659 -0.324 6.093 1.00 0.00 C ATOM 367 OG1 THR A 24 13.341 -1.227 6.952 1.00 0.00 O ATOM 368 CG2 THR A 24 11.184 -0.720 6.002 1.00 0.00 C ATOM 0 H THR A 24 11.836 1.057 4.060 1.00 0.00 H new ATOM 0 HA THR A 24 14.377 -0.318 4.791 1.00 0.00 H new ATOM 0 HB THR A 24 12.736 0.687 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.937 -1.198 7.844 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.736 -0.687 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.661 -0.025 5.345 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.103 -1.730 5.601 1.00 0.00 H new ATOM 376 N ILE A 25 11.916 -1.639 3.151 1.00 0.00 N ATOM 377 CA ILE A 25 11.495 -2.881 2.440 1.00 0.00 C ATOM 378 C ILE A 25 11.600 -2.662 0.930 1.00 0.00 C ATOM 379 O ILE A 25 11.649 -1.542 0.460 1.00 0.00 O ATOM 380 CB ILE A 25 10.051 -3.230 2.815 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.273 -1.951 3.141 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.056 -4.143 4.041 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.001 -1.168 1.855 1.00 0.00 C ATOM 0 H ILE A 25 11.382 -0.803 2.916 1.00 0.00 H new ATOM 0 HA ILE A 25 12.146 -3.705 2.733 1.00 0.00 H new ATOM 0 HB ILE A 25 9.574 -3.737 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.332 -2.202 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.842 -1.336 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.030 -4.394 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.605 -5.056 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.536 -3.630 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.448 -0.259 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.947 -0.904 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.414 -1.782 1.172 1.00 0.00 H new ATOM 395 N THR A 26 11.645 -3.719 0.164 1.00 0.00 N ATOM 396 CA THR A 26 11.759 -3.558 -1.316 1.00 0.00 C ATOM 397 C THR A 26 10.373 -3.650 -1.961 1.00 0.00 C ATOM 398 O THR A 26 9.446 -4.218 -1.406 1.00 0.00 O ATOM 399 CB THR A 26 12.662 -4.656 -1.895 1.00 0.00 C ATOM 400 OG1 THR A 26 11.860 -5.732 -2.360 1.00 0.00 O ATOM 401 CG2 THR A 26 13.628 -5.162 -0.821 1.00 0.00 C ATOM 0 H THR A 26 11.608 -4.683 0.496 1.00 0.00 H new ATOM 0 HA THR A 26 12.194 -2.581 -1.529 1.00 0.00 H new ATOM 0 HB THR A 26 13.238 -4.245 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.436 -6.433 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.264 -5.941 -1.242 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.248 -4.337 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.061 -5.570 0.016 1.00 0.00 H new ATOM 409 N ASP A 27 10.228 -3.090 -3.135 1.00 0.00 N ATOM 410 CA ASP A 27 8.914 -3.132 -3.837 1.00 0.00 C ATOM 411 C ASP A 27 8.511 -4.588 -4.075 1.00 0.00 C ATOM 412 O ASP A 27 7.439 -5.013 -3.707 1.00 0.00 O ATOM 413 CB ASP A 27 9.041 -2.399 -5.179 1.00 0.00 C ATOM 414 CG ASP A 27 7.882 -2.784 -6.101 1.00 0.00 C ATOM 415 OD1 ASP A 27 7.812 -3.942 -6.482 1.00 0.00 O ATOM 416 OD2 ASP A 27 7.088 -1.915 -6.415 1.00 0.00 O ATOM 0 H ASP A 27 10.969 -2.603 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 27 8.151 -2.646 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.043 -1.321 -5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.991 -2.651 -5.651 1.00 0.00 H new ATOM 421 N ASP A 28 9.362 -5.360 -4.684 1.00 0.00 N ATOM 422 CA ASP A 28 9.014 -6.784 -4.934 1.00 0.00 C ATOM 423 C ASP A 28 8.983 -7.548 -3.604 1.00 0.00 C ATOM 424 O ASP A 28 8.673 -8.722 -3.564 1.00 0.00 O ATOM 425 CB ASP A 28 10.059 -7.405 -5.865 1.00 0.00 C ATOM 426 CG ASP A 28 9.400 -7.773 -7.195 1.00 0.00 C ATOM 427 OD1 ASP A 28 8.857 -6.885 -7.831 1.00 0.00 O ATOM 428 OD2 ASP A 28 9.449 -8.938 -7.555 1.00 0.00 O ATOM 0 H ASP A 28 10.280 -5.069 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 28 8.031 -6.843 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.875 -6.703 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.492 -8.292 -5.403 1.00 0.00 H new ATOM 433 N GLN A 29 9.308 -6.898 -2.514 1.00 0.00 N ATOM 434 CA GLN A 29 9.299 -7.604 -1.200 1.00 0.00 C ATOM 435 C GLN A 29 7.891 -7.639 -0.616 1.00 0.00 C ATOM 436 O GLN A 29 7.318 -8.695 -0.442 1.00 0.00 O ATOM 437 CB GLN A 29 10.233 -6.897 -0.214 1.00 0.00 C ATOM 438 CG GLN A 29 11.349 -7.856 0.212 1.00 0.00 C ATOM 439 CD GLN A 29 12.144 -7.240 1.364 1.00 0.00 C ATOM 440 OE1 GLN A 29 11.685 -6.318 2.010 1.00 0.00 O ATOM 441 NE2 GLN A 29 13.325 -7.714 1.653 1.00 0.00 N ATOM 0 H GLN A 29 9.577 -5.915 -2.479 1.00 0.00 H new ATOM 0 HA GLN A 29 9.643 -8.625 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.661 -6.007 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.672 -6.564 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.923 -8.811 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.009 -8.059 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.711 -8.488 1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.862 -7.311 2.421 1.00 0.00 H new ATOM 450 N LEU A 30 7.326 -6.504 -0.300 1.00 0.00 N ATOM 451 CA LEU A 30 5.951 -6.514 0.281 1.00 0.00 C ATOM 452 C LEU A 30 5.089 -7.492 -0.525 1.00 0.00 C ATOM 453 O LEU A 30 4.272 -8.208 0.012 1.00 0.00 O ATOM 454 CB LEU A 30 5.347 -5.110 0.219 1.00 0.00 C ATOM 455 CG LEU A 30 5.328 -4.480 1.620 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.752 -4.407 2.169 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.752 -3.065 1.527 1.00 0.00 C ATOM 0 H LEU A 30 7.749 -5.583 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 30 5.990 -6.827 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.927 -4.486 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.334 -5.159 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 30 4.713 -5.088 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.736 -3.960 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.170 -5.412 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.367 -3.797 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.736 -2.613 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.372 -2.463 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.737 -3.111 1.133 1.00 0.00 H new ATOM 469 N ASP A 31 5.281 -7.552 -1.812 1.00 0.00 N ATOM 470 CA ASP A 31 4.483 -8.504 -2.633 1.00 0.00 C ATOM 471 C ASP A 31 4.538 -9.892 -1.991 1.00 0.00 C ATOM 472 O ASP A 31 3.527 -10.490 -1.692 1.00 0.00 O ATOM 473 CB ASP A 31 5.072 -8.584 -4.041 1.00 0.00 C ATOM 474 CG ASP A 31 4.022 -9.146 -5.002 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.935 -9.457 -4.543 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.323 -9.256 -6.180 1.00 0.00 O ATOM 0 H ASP A 31 5.953 -6.986 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 31 3.450 -8.159 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.390 -7.595 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.958 -9.220 -4.041 1.00 0.00 H new ATOM 481 N THR A 32 5.716 -10.409 -1.781 1.00 0.00 N ATOM 482 CA THR A 32 5.839 -11.758 -1.163 1.00 0.00 C ATOM 483 C THR A 32 5.307 -11.719 0.272 1.00 0.00 C ATOM 484 O THR A 32 4.958 -12.732 0.843 1.00 0.00 O ATOM 485 CB THR A 32 7.313 -12.173 -1.150 1.00 0.00 C ATOM 486 OG1 THR A 32 7.850 -12.053 -2.460 1.00 0.00 O ATOM 487 CG2 THR A 32 7.438 -13.622 -0.679 1.00 0.00 C ATOM 0 H THR A 32 6.600 -9.955 -2.011 1.00 0.00 H new ATOM 0 HA THR A 32 5.259 -12.477 -1.741 1.00 0.00 H new ATOM 0 HB THR A 32 7.864 -11.524 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.794 -12.317 -2.452 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.488 -13.913 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.029 -13.714 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.886 -14.274 -1.356 1.00 0.00 H new ATOM 495 N ILE A 33 5.255 -10.558 0.865 1.00 0.00 N ATOM 496 CA ILE A 33 4.762 -10.463 2.269 1.00 0.00 C ATOM 497 C ILE A 33 3.225 -10.416 2.304 1.00 0.00 C ATOM 498 O ILE A 33 2.625 -10.600 3.344 1.00 0.00 O ATOM 499 CB ILE A 33 5.363 -9.207 2.939 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.815 -9.568 4.357 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.337 -8.062 3.012 1.00 0.00 C ATOM 502 CD1 ILE A 33 7.296 -9.224 4.525 1.00 0.00 C ATOM 0 H ILE A 33 5.532 -9.673 0.440 1.00 0.00 H new ATOM 0 HA ILE A 33 5.080 -11.348 2.820 1.00 0.00 H new ATOM 0 HB ILE A 33 6.208 -8.868 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.219 -9.023 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.654 -10.630 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.793 -7.194 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.017 -7.796 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.474 -8.384 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.617 -9.481 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.885 -9.788 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.443 -8.157 4.358 1.00 0.00 H new ATOM 514 N PHE A 34 2.576 -10.161 1.197 1.00 0.00 N ATOM 515 CA PHE A 34 1.084 -10.098 1.235 1.00 0.00 C ATOM 516 C PHE A 34 0.479 -10.448 -0.136 1.00 0.00 C ATOM 517 O PHE A 34 -0.550 -9.943 -0.526 1.00 0.00 O ATOM 518 CB PHE A 34 0.666 -8.686 1.683 1.00 0.00 C ATOM 519 CG PHE A 34 0.689 -7.709 0.523 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.867 -7.024 0.214 1.00 0.00 C ATOM 521 CD2 PHE A 34 -0.467 -7.480 -0.232 1.00 0.00 C ATOM 522 CE1 PHE A 34 1.893 -6.114 -0.850 1.00 0.00 C ATOM 523 CE2 PHE A 34 -0.443 -6.571 -1.294 1.00 0.00 C ATOM 524 CZ PHE A 34 0.736 -5.886 -1.604 1.00 0.00 C ATOM 0 H PHE A 34 3.004 -9.997 0.286 1.00 0.00 H new ATOM 0 HA PHE A 34 0.705 -10.833 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.335 -8.720 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.338 -8.338 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.759 -7.197 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.379 -8.007 0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.806 -5.588 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.336 -6.398 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.754 -5.183 -2.423 1.00 0.00 H new ATOM 534 N GLY A 35 1.092 -11.331 -0.869 1.00 0.00 N ATOM 535 CA GLY A 35 0.526 -11.709 -2.198 1.00 0.00 C ATOM 536 C GLY A 35 -0.285 -13.002 -2.065 1.00 0.00 C ATOM 537 O GLY A 35 0.037 -14.007 -2.665 1.00 0.00 O ATOM 0 H GLY A 35 1.956 -11.807 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.109 -10.907 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.330 -11.845 -2.921 1.00 0.00 H new ATOM 541 N LYS A 36 -1.326 -12.993 -1.274 1.00 0.00 N ATOM 542 CA LYS A 36 -2.135 -14.239 -1.104 1.00 0.00 C ATOM 543 C LYS A 36 -3.643 -13.926 -1.091 1.00 0.00 C ATOM 544 O LYS A 36 -4.462 -14.821 -1.143 1.00 0.00 O ATOM 545 CB LYS A 36 -1.747 -14.905 0.219 1.00 0.00 C ATOM 546 CG LYS A 36 -1.800 -16.427 0.066 1.00 0.00 C ATOM 547 CD LYS A 36 -0.486 -16.930 -0.536 1.00 0.00 C ATOM 548 CE LYS A 36 -0.339 -18.426 -0.257 1.00 0.00 C ATOM 549 NZ LYS A 36 0.151 -18.628 1.135 1.00 0.00 N ATOM 0 H LYS A 36 -1.650 -12.185 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.931 -14.904 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.745 -14.594 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.425 -14.586 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.969 -16.894 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.636 -16.709 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.472 -16.746 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.355 -16.385 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.297 -18.928 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.357 -18.872 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.412 -19.626 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.984 -18.027 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.600 -18.372 1.808 1.00 0.00 H new ATOM 563 N TYR A 37 -4.023 -12.678 -1.011 1.00 0.00 N ATOM 564 CA TYR A 37 -5.485 -12.344 -0.985 1.00 0.00 C ATOM 565 C TYR A 37 -6.020 -12.243 -2.412 1.00 0.00 C ATOM 566 O TYR A 37 -7.025 -12.837 -2.753 1.00 0.00 O ATOM 567 CB TYR A 37 -5.700 -11.008 -0.260 1.00 0.00 C ATOM 568 CG TYR A 37 -4.633 -10.841 0.782 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.801 -11.379 2.064 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.465 -10.161 0.456 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.787 -11.231 3.016 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.461 -10.009 1.403 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.616 -10.542 2.681 1.00 0.00 C ATOM 574 OH TYR A 37 -1.604 -10.396 3.597 1.00 0.00 O ATOM 0 H TYR A 37 -3.392 -11.878 -0.963 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.020 -13.132 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.664 -10.183 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.686 -10.986 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.709 -11.906 2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.338 -9.751 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.907 -11.647 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.557 -9.476 1.148 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.602 -11.163 4.208 1.00 0.00 H new ATOM 584 N GLY A 38 -5.361 -11.498 -3.248 1.00 0.00 N ATOM 585 CA GLY A 38 -5.834 -11.359 -4.654 1.00 0.00 C ATOM 586 C GLY A 38 -4.632 -11.208 -5.584 1.00 0.00 C ATOM 587 O GLY A 38 -3.518 -11.555 -5.240 1.00 0.00 O ATOM 0 H GLY A 38 -4.514 -10.977 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.421 -12.232 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.488 -10.492 -4.745 1.00 0.00 H new ATOM 591 N SER A 39 -4.846 -10.690 -6.760 1.00 0.00 N ATOM 592 CA SER A 39 -3.716 -10.513 -7.710 1.00 0.00 C ATOM 593 C SER A 39 -3.176 -9.087 -7.587 1.00 0.00 C ATOM 594 O SER A 39 -3.403 -8.263 -8.450 1.00 0.00 O ATOM 595 CB SER A 39 -4.209 -10.755 -9.136 1.00 0.00 C ATOM 596 OG SER A 39 -4.910 -11.991 -9.185 1.00 0.00 O ATOM 0 H SER A 39 -5.755 -10.382 -7.104 1.00 0.00 H new ATOM 0 HA SER A 39 -2.923 -11.224 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.861 -9.941 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.366 -10.774 -9.827 1.00 0.00 H new ATOM 0 HG SER A 39 -5.230 -12.150 -10.098 1.00 0.00 H new ATOM 602 N ILE A 40 -2.484 -8.800 -6.504 1.00 0.00 N ATOM 603 CA ILE A 40 -1.921 -7.422 -6.274 1.00 0.00 C ATOM 604 C ILE A 40 -1.700 -6.706 -7.629 1.00 0.00 C ATOM 605 O ILE A 40 -1.176 -7.278 -8.564 1.00 0.00 O ATOM 606 CB ILE A 40 -0.599 -7.500 -5.478 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.364 -8.906 -4.893 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.651 -6.490 -4.340 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.229 -9.115 -3.644 1.00 0.00 C ATOM 0 H ILE A 40 -2.283 -9.469 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.636 -6.846 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 40 0.222 -7.279 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.603 -9.663 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.689 -9.030 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.277 -6.536 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.777 -5.487 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.490 -6.723 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.052 -10.113 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.969 -8.369 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.281 -9.012 -3.909 1.00 0.00 H new ATOM 621 N VAL A 41 -2.163 -5.480 -7.751 1.00 0.00 N ATOM 622 CA VAL A 41 -2.061 -4.737 -9.056 1.00 0.00 C ATOM 623 C VAL A 41 -0.876 -3.737 -9.154 1.00 0.00 C ATOM 624 O VAL A 41 -1.082 -2.587 -9.485 1.00 0.00 O ATOM 625 CB VAL A 41 -3.360 -3.956 -9.261 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.554 -4.855 -8.939 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.378 -2.743 -8.330 1.00 0.00 C ATOM 0 H VAL A 41 -2.610 -4.958 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.885 -5.492 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.421 -3.624 -10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.479 -4.297 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.545 -5.722 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.491 -5.187 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.304 -2.186 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.315 -3.078 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.528 -2.099 -8.555 1.00 0.00 H new ATOM 637 N GLN A 42 0.345 -4.180 -8.948 1.00 0.00 N ATOM 638 CA GLN A 42 1.562 -3.279 -9.122 1.00 0.00 C ATOM 639 C GLN A 42 2.041 -2.603 -7.819 1.00 0.00 C ATOM 640 O GLN A 42 1.517 -1.590 -7.396 1.00 0.00 O ATOM 641 CB GLN A 42 1.268 -2.194 -10.160 1.00 0.00 C ATOM 642 CG GLN A 42 2.586 -1.597 -10.653 1.00 0.00 C ATOM 643 CD GLN A 42 2.299 -0.387 -11.544 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.765 0.702 -11.276 1.00 0.00 O ATOM 645 NE2 GLN A 42 1.546 -0.534 -12.598 1.00 0.00 N ATOM 0 H GLN A 42 0.564 -5.135 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 42 2.366 -3.936 -9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.711 -2.616 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.644 -1.415 -9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.202 -1.299 -9.805 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.151 -2.345 -11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.155 -1.449 -12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.348 0.266 -13.199 1.00 0.00 H new ATOM 654 N LYS A 43 3.081 -3.134 -7.216 1.00 0.00 N ATOM 655 CA LYS A 43 3.650 -2.517 -5.973 1.00 0.00 C ATOM 656 C LYS A 43 4.588 -1.386 -6.389 1.00 0.00 C ATOM 657 O LYS A 43 4.979 -1.288 -7.536 1.00 0.00 O ATOM 658 CB LYS A 43 4.461 -3.571 -5.208 1.00 0.00 C ATOM 659 CG LYS A 43 3.667 -4.073 -3.998 1.00 0.00 C ATOM 660 CD LYS A 43 4.601 -4.198 -2.790 1.00 0.00 C ATOM 661 CE LYS A 43 4.463 -2.946 -1.920 1.00 0.00 C ATOM 662 NZ LYS A 43 5.426 -1.908 -2.387 1.00 0.00 N ATOM 0 H LYS A 43 3.563 -3.975 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 43 2.847 -2.141 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.700 -4.406 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.408 -3.143 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.853 -3.384 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.214 -5.039 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.351 -5.087 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.633 -4.313 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.444 -2.563 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.656 -3.193 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.068 -1.655 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.979 -2.282 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.904 -1.063 -2.694 1.00 0.00 H new ATOM 676 N ASN A 44 4.971 -0.537 -5.478 1.00 0.00 N ATOM 677 CA ASN A 44 5.897 0.568 -5.850 1.00 0.00 C ATOM 678 C ASN A 44 6.606 1.095 -4.602 1.00 0.00 C ATOM 679 O ASN A 44 6.141 0.927 -3.494 1.00 0.00 O ATOM 680 CB ASN A 44 5.107 1.702 -6.507 1.00 0.00 C ATOM 681 CG ASN A 44 5.851 2.182 -7.755 1.00 0.00 C ATOM 682 OD1 ASN A 44 7.061 2.297 -7.749 1.00 0.00 O ATOM 683 ND2 ASN A 44 5.174 2.468 -8.833 1.00 0.00 N ATOM 0 H ASN A 44 4.686 -0.559 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 44 6.640 0.189 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.109 1.357 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.981 2.527 -5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.660 2.788 -9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.159 2.372 -8.838 1.00 0.00 H new ATOM 690 N ILE A 45 7.732 1.729 -4.776 1.00 0.00 N ATOM 691 CA ILE A 45 8.474 2.268 -3.604 1.00 0.00 C ATOM 692 C ILE A 45 9.414 3.383 -4.069 1.00 0.00 C ATOM 693 O ILE A 45 10.317 3.162 -4.850 1.00 0.00 O ATOM 694 CB ILE A 45 9.282 1.143 -2.950 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.720 1.576 -1.551 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.520 0.833 -3.796 1.00 0.00 C ATOM 697 CD1 ILE A 45 9.028 0.694 -0.510 1.00 0.00 C ATOM 0 H ILE A 45 8.171 1.897 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 45 7.770 2.671 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 45 8.661 0.250 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.802 1.492 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.465 2.623 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.091 0.032 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.210 0.521 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.142 1.725 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.338 1.000 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.947 0.801 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.305 -0.347 -0.673 1.00 0.00 H new ATOM 709 N LEU A 46 9.208 4.583 -3.599 1.00 0.00 N ATOM 710 CA LEU A 46 10.089 5.707 -4.020 1.00 0.00 C ATOM 711 C LEU A 46 10.261 6.691 -2.862 1.00 0.00 C ATOM 712 O LEU A 46 9.467 6.732 -1.941 1.00 0.00 O ATOM 713 CB LEU A 46 9.474 6.430 -5.224 1.00 0.00 C ATOM 714 CG LEU A 46 7.958 6.556 -5.050 1.00 0.00 C ATOM 715 CD1 LEU A 46 7.624 7.933 -4.474 1.00 0.00 C ATOM 716 CD2 LEU A 46 7.279 6.397 -6.412 1.00 0.00 C ATOM 0 H LEU A 46 8.468 4.833 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 46 11.064 5.308 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.918 7.420 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.698 5.882 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 46 7.602 5.782 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.545 8.023 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.112 8.051 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.977 8.708 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.199 6.486 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.635 7.174 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.519 5.418 -6.826 1.00 0.00 H new ATOM 728 N ARG A 47 11.299 7.481 -2.900 1.00 0.00 N ATOM 729 CA ARG A 47 11.533 8.460 -1.803 1.00 0.00 C ATOM 730 C ARG A 47 11.598 9.875 -2.382 1.00 0.00 C ATOM 731 O ARG A 47 10.633 10.612 -2.356 1.00 0.00 O ATOM 732 CB ARG A 47 12.856 8.132 -1.108 1.00 0.00 C ATOM 733 CG ARG A 47 13.146 9.182 -0.036 1.00 0.00 C ATOM 734 CD ARG A 47 14.336 8.728 0.810 1.00 0.00 C ATOM 735 NE ARG A 47 13.984 8.829 2.255 1.00 0.00 N ATOM 736 CZ ARG A 47 14.662 8.153 3.142 1.00 0.00 C ATOM 737 NH1 ARG A 47 15.705 7.455 2.781 1.00 0.00 N ATOM 738 NH2 ARG A 47 14.296 8.174 4.396 1.00 0.00 N ATOM 0 H ARG A 47 11.996 7.490 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 47 10.716 8.403 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.805 7.141 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.666 8.109 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.362 10.143 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.269 9.324 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.603 7.701 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.207 9.346 0.593 1.00 0.00 H new ATOM 0 HE ARG A 47 13.212 9.427 2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.993 7.437 1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.232 6.928 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.482 8.718 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.825 7.646 5.090 1.00 0.00 H new ATOM 888 N GLY A 56 9.925 9.405 2.636 1.00 0.00 N ATOM 889 CA GLY A 56 9.964 8.061 1.996 1.00 0.00 C ATOM 890 C GLY A 56 8.549 7.487 1.949 1.00 0.00 C ATOM 891 O GLY A 56 7.962 7.172 2.965 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.373 8.136 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.621 7.396 2.557 1.00 0.00 H new ATOM 895 N VAL A 57 7.992 7.356 0.778 1.00 0.00 N ATOM 896 CA VAL A 57 6.610 6.808 0.667 1.00 0.00 C ATOM 897 C VAL A 57 6.610 5.618 -0.295 1.00 0.00 C ATOM 898 O VAL A 57 7.529 5.427 -1.067 1.00 0.00 O ATOM 899 CB VAL A 57 5.681 7.894 0.126 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.782 9.140 1.009 1.00 0.00 C ATOM 901 CG2 VAL A 57 6.095 8.251 -1.302 1.00 0.00 C ATOM 0 H VAL A 57 8.433 7.604 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 57 6.265 6.483 1.649 1.00 0.00 H new ATOM 0 HB VAL A 57 4.654 7.528 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.119 9.914 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.490 8.888 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.809 9.506 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.433 9.026 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.122 8.617 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.025 7.365 -1.933 1.00 0.00 H new ATOM 911 N ALA A 58 5.578 4.827 -0.259 1.00 0.00 N ATOM 912 CA ALA A 58 5.495 3.652 -1.170 1.00 0.00 C ATOM 913 C ALA A 58 4.099 3.602 -1.789 1.00 0.00 C ATOM 914 O ALA A 58 3.290 4.489 -1.597 1.00 0.00 O ATOM 915 CB ALA A 58 5.743 2.364 -0.381 1.00 0.00 C ATOM 0 H ALA A 58 4.781 4.944 0.367 1.00 0.00 H new ATOM 0 HA ALA A 58 6.249 3.744 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.681 1.508 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.734 2.399 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.991 2.266 0.402 1.00 0.00 H new ATOM 921 N PHE A 59 3.807 2.569 -2.525 1.00 0.00 N ATOM 922 CA PHE A 59 2.463 2.460 -3.155 1.00 0.00 C ATOM 923 C PHE A 59 2.081 0.987 -3.277 1.00 0.00 C ATOM 924 O PHE A 59 2.574 0.279 -4.133 1.00 0.00 O ATOM 925 CB PHE A 59 2.507 3.090 -4.548 1.00 0.00 C ATOM 926 CG PHE A 59 1.276 3.938 -4.763 1.00 0.00 C ATOM 927 CD1 PHE A 59 0.026 3.482 -4.329 1.00 0.00 C ATOM 928 CD2 PHE A 59 1.385 5.179 -5.401 1.00 0.00 C ATOM 929 CE1 PHE A 59 -1.114 4.266 -4.533 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.245 5.963 -5.605 1.00 0.00 C ATOM 931 CZ PHE A 59 -1.005 5.507 -5.172 1.00 0.00 C ATOM 0 H PHE A 59 4.441 1.794 -2.718 1.00 0.00 H new ATOM 0 HA PHE A 59 1.726 2.979 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.404 3.701 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.561 2.311 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.058 2.525 -3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.350 5.531 -5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.078 3.914 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.329 6.921 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.885 6.112 -5.331 1.00 0.00 H new ATOM 941 N VAL A 60 1.201 0.514 -2.437 1.00 0.00 N ATOM 942 CA VAL A 60 0.796 -0.915 -2.530 1.00 0.00 C ATOM 943 C VAL A 60 -0.220 -1.057 -3.661 1.00 0.00 C ATOM 944 O VAL A 60 -0.921 -0.125 -4.017 1.00 0.00 O ATOM 945 CB VAL A 60 0.199 -1.381 -1.186 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.852 -2.489 -1.393 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.312 -1.941 -0.300 1.00 0.00 C ATOM 0 H VAL A 60 0.749 1.051 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 60 1.662 -1.542 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.277 -0.520 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.253 -2.795 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.661 -2.111 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.386 -3.346 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.890 -2.270 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.784 -2.787 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.056 -1.166 -0.117 1.00 0.00 H new ATOM 957 N ARG A 61 -0.270 -2.216 -4.237 1.00 0.00 N ATOM 958 CA ARG A 61 -1.191 -2.470 -5.377 1.00 0.00 C ATOM 959 C ARG A 61 -2.448 -3.207 -4.913 1.00 0.00 C ATOM 960 O ARG A 61 -2.378 -4.229 -4.267 1.00 0.00 O ATOM 961 CB ARG A 61 -0.464 -3.338 -6.412 1.00 0.00 C ATOM 962 CG ARG A 61 0.752 -4.045 -5.777 1.00 0.00 C ATOM 963 CD ARG A 61 1.207 -5.219 -6.643 1.00 0.00 C ATOM 964 NE ARG A 61 2.046 -6.145 -5.835 1.00 0.00 N ATOM 965 CZ ARG A 61 3.018 -6.797 -6.409 1.00 0.00 C ATOM 966 NH1 ARG A 61 2.770 -7.570 -7.431 1.00 0.00 N ATOM 967 NH2 ARG A 61 4.237 -6.679 -5.965 1.00 0.00 N ATOM 0 H ARG A 61 0.299 -3.017 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.487 -1.513 -5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.151 -4.081 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.135 -2.718 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.571 -3.335 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.492 -4.401 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.340 -5.749 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.774 -4.853 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 61 1.862 -6.269 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.816 -7.664 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.530 -8.080 -7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.433 -6.075 -5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.996 -7.190 -6.416 1.00 0.00 H new ATOM 981 N TYR A 62 -3.603 -2.702 -5.250 1.00 0.00 N ATOM 982 CA TYR A 62 -4.857 -3.396 -4.843 1.00 0.00 C ATOM 983 C TYR A 62 -6.041 -2.864 -5.652 1.00 0.00 C ATOM 984 O TYR A 62 -6.101 -1.698 -5.988 1.00 0.00 O ATOM 985 CB TYR A 62 -5.097 -3.172 -3.348 1.00 0.00 C ATOM 986 CG TYR A 62 -4.748 -4.412 -2.537 1.00 0.00 C ATOM 987 CD1 TYR A 62 -4.230 -5.573 -3.142 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.958 -4.391 -1.157 1.00 0.00 C ATOM 989 CE1 TYR A 62 -3.932 -6.693 -2.363 1.00 0.00 C ATOM 990 CE2 TYR A 62 -4.658 -5.514 -0.385 1.00 0.00 C ATOM 991 CZ TYR A 62 -4.148 -6.661 -0.986 1.00 0.00 C ATOM 992 OH TYR A 62 -3.855 -7.761 -0.216 1.00 0.00 O ATOM 0 H TYR A 62 -3.732 -1.844 -5.786 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.758 -4.464 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.497 -2.330 -3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.141 -2.908 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.063 -5.597 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.354 -3.503 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.534 -7.584 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.822 -5.493 0.682 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.469 -8.491 -0.441 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.995 -3.709 -5.956 1.00 0.00 N ATOM 1003 CA ASN A 63 -8.181 -3.238 -6.725 1.00 0.00 C ATOM 1004 C ASN A 63 -9.462 -3.756 -6.065 1.00 0.00 C ATOM 1005 O ASN A 63 -10.399 -3.015 -5.837 1.00 0.00 O ATOM 1006 CB ASN A 63 -8.122 -3.737 -8.167 1.00 0.00 C ATOM 1007 CG ASN A 63 -8.306 -5.255 -8.205 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -9.287 -5.746 -8.727 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -7.398 -6.027 -7.672 1.00 0.00 N ATOM 0 H ASN A 63 -7.002 -4.698 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.179 -2.148 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.899 -3.254 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.165 -3.467 -8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.513 -7.040 -7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.574 -5.617 -7.233 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.520 -5.023 -5.756 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.749 -5.569 -5.118 1.00 0.00 C ATOM 1018 C LYS A 64 -11.010 -4.823 -3.811 1.00 0.00 C ATOM 1019 O LYS A 64 -10.325 -5.018 -2.828 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.569 -7.061 -4.834 1.00 0.00 C ATOM 1021 CG LYS A 64 -11.771 -7.829 -5.389 1.00 0.00 C ATOM 1022 CD LYS A 64 -12.354 -8.728 -4.297 1.00 0.00 C ATOM 1023 CE LYS A 64 -13.300 -9.752 -4.928 1.00 0.00 C ATOM 1024 NZ LYS A 64 -14.703 -9.438 -4.538 1.00 0.00 N ATOM 0 H LYS A 64 -8.774 -5.699 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.597 -5.437 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.649 -7.422 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.478 -7.231 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.530 -7.131 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.467 -8.431 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.551 -9.239 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.890 -8.126 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.200 -9.735 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.036 -10.757 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.346 -10.134 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.792 -9.476 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.951 -8.485 -4.872 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.995 -3.966 -3.810 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.332 -3.178 -2.585 1.00 0.00 C ATOM 1040 C ARG A 65 -12.088 -4.019 -1.330 1.00 0.00 C ATOM 1041 O ARG A 65 -11.348 -3.631 -0.446 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.804 -2.763 -2.652 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.068 -2.056 -3.984 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.659 -3.047 -4.988 1.00 0.00 C ATOM 1045 NE ARG A 65 -16.146 -2.939 -4.969 1.00 0.00 N ATOM 1046 CZ ARG A 65 -16.873 -3.790 -5.638 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -16.651 -5.070 -5.522 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -17.826 -3.360 -6.418 1.00 0.00 N ATOM 0 H ARG A 65 -12.590 -3.775 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.698 -2.293 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.446 -3.639 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.046 -2.100 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.755 -1.223 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.140 -1.638 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.280 -2.838 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.353 -4.063 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.596 -2.198 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.909 -5.405 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.220 -5.736 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.002 -2.359 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.395 -4.025 -6.942 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.692 -5.172 -1.243 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.472 -6.030 -0.045 1.00 0.00 C ATOM 1064 C GLU A 66 -10.973 -6.308 0.096 1.00 0.00 C ATOM 1065 O GLU A 66 -10.398 -6.169 1.161 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.223 -7.354 -0.219 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.884 -7.744 1.105 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.402 -7.772 0.930 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.928 -6.846 0.334 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.016 -8.719 1.395 1.00 0.00 O ATOM 0 H GLU A 66 -13.325 -5.555 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.840 -5.523 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.978 -7.256 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.534 -8.136 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.527 -8.722 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.610 -7.032 1.884 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.336 -6.696 -0.975 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.877 -6.977 -0.908 1.00 0.00 C ATOM 1079 C GLU A 67 -8.161 -5.777 -0.289 1.00 0.00 C ATOM 1080 O GLU A 67 -7.140 -5.916 0.354 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.333 -7.231 -2.315 1.00 0.00 C ATOM 1082 CG GLU A 67 -6.959 -7.895 -2.214 1.00 0.00 C ATOM 1083 CD GLU A 67 -6.272 -7.865 -3.579 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -6.718 -7.113 -4.431 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -5.310 -8.596 -3.752 1.00 0.00 O ATOM 0 H GLU A 67 -10.763 -6.830 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.705 -7.862 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.018 -7.870 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.256 -6.292 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.347 -7.376 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.066 -8.924 -1.872 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.690 -4.595 -0.464 1.00 0.00 N ATOM 1093 CA ALA A 68 -8.029 -3.406 0.135 1.00 0.00 C ATOM 1094 C ALA A 68 -8.170 -3.488 1.650 1.00 0.00 C ATOM 1095 O ALA A 68 -7.210 -3.344 2.379 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.675 -2.119 -0.380 1.00 0.00 C ATOM 0 H ALA A 68 -9.543 -4.405 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.976 -3.393 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.179 -1.258 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.576 -2.071 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.731 -2.110 -0.112 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.356 -3.742 2.133 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.532 -3.859 3.604 1.00 0.00 C ATOM 1104 C GLN A 69 -8.426 -4.770 4.134 1.00 0.00 C ATOM 1105 O GLN A 69 -7.941 -4.609 5.237 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.901 -4.473 3.913 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.484 -3.812 5.163 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.436 -4.785 5.858 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.627 -4.556 5.909 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -11.956 -5.871 6.401 1.00 0.00 N ATOM 0 H GLN A 69 -10.201 -3.872 1.577 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.477 -2.878 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.574 -4.333 3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.803 -5.547 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.682 -3.524 5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.015 -2.900 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.955 -6.063 6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.582 -6.527 6.868 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.020 -5.723 3.337 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.935 -6.651 3.765 1.00 0.00 C ATOM 1121 C GLU A 70 -5.622 -5.882 3.876 1.00 0.00 C ATOM 1122 O GLU A 70 -4.920 -5.975 4.855 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.761 -7.756 2.722 1.00 0.00 C ATOM 1124 CG GLU A 70 -8.070 -8.533 2.568 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.195 -9.556 3.699 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -7.508 -9.398 4.694 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -8.979 -10.479 3.551 1.00 0.00 O ATOM 0 H GLU A 70 -8.395 -5.898 2.405 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.200 -7.086 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.470 -7.323 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.960 -8.431 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.917 -7.847 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.093 -9.038 1.603 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.281 -5.129 2.872 1.00 0.00 N ATOM 1135 CA ALA A 71 -4.004 -4.365 2.920 1.00 0.00 C ATOM 1136 C ALA A 71 -4.087 -3.313 4.021 1.00 0.00 C ATOM 1137 O ALA A 71 -3.097 -2.738 4.430 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.765 -3.690 1.571 1.00 0.00 C ATOM 0 H ALA A 71 -5.829 -5.008 2.020 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.177 -5.042 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.830 -3.130 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.706 -4.448 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.588 -3.009 1.354 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.259 -3.063 4.519 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.392 -2.061 5.603 1.00 0.00 C ATOM 1146 C ILE A 72 -5.030 -2.727 6.929 1.00 0.00 C ATOM 1147 O ILE A 72 -4.014 -2.434 7.527 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.833 -1.556 5.658 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -7.210 -0.940 4.305 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.965 -0.504 6.761 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.511 0.413 4.130 1.00 0.00 C ATOM 0 H ILE A 72 -6.128 -3.507 4.224 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.727 -1.218 5.417 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.503 -2.388 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.923 -1.614 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.291 -0.811 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.993 -0.144 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.700 -0.948 7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.296 0.331 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.785 0.842 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.819 1.088 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.431 0.272 4.170 1.00 0.00 H new ATOM 1163 N SER A 73 -5.855 -3.630 7.383 1.00 0.00 N ATOM 1164 CA SER A 73 -5.577 -4.331 8.669 1.00 0.00 C ATOM 1165 C SER A 73 -4.508 -5.414 8.472 1.00 0.00 C ATOM 1166 O SER A 73 -4.251 -6.204 9.357 1.00 0.00 O ATOM 1167 CB SER A 73 -6.866 -4.985 9.164 1.00 0.00 C ATOM 1168 OG SER A 73 -7.536 -4.095 10.047 1.00 0.00 O ATOM 0 H SER A 73 -6.716 -3.914 6.915 1.00 0.00 H new ATOM 0 HA SER A 73 -5.213 -3.606 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.510 -5.231 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.639 -5.921 9.675 1.00 0.00 H new ATOM 0 HG SER A 73 -8.364 -4.511 10.365 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.883 -5.465 7.324 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.841 -6.508 7.094 1.00 0.00 C ATOM 1176 C ALA A 74 -1.565 -5.861 6.549 1.00 0.00 C ATOM 1177 O ALA A 74 -0.484 -6.084 7.059 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.354 -7.540 6.089 1.00 0.00 C ATOM 0 H ALA A 74 -4.048 -4.833 6.540 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.620 -7.000 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.589 -8.299 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.256 -8.012 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.583 -7.046 5.145 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.673 -5.058 5.525 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.453 -4.406 4.974 1.00 0.00 C ATOM 1186 C LEU A 75 -0.090 -3.225 5.867 1.00 0.00 C ATOM 1187 O LEU A 75 1.069 -2.914 6.052 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.704 -3.923 3.540 1.00 0.00 C ATOM 1189 CG LEU A 75 -0.097 -4.925 2.556 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.830 -6.257 2.685 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -0.245 -4.404 1.121 1.00 0.00 C ATOM 0 H LEU A 75 -2.546 -4.827 5.050 1.00 0.00 H new ATOM 0 HA LEU A 75 0.367 -5.124 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.774 -3.822 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.262 -2.938 3.393 1.00 0.00 H new ATOM 0 HG LEU A 75 0.961 -5.057 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.403 -6.977 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.725 -6.633 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.887 -6.114 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.190 -5.123 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.302 -4.269 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.272 -3.449 1.025 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.064 -2.578 6.453 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.737 -1.445 7.357 1.00 0.00 C ATOM 1205 C ASN A 76 0.230 -1.956 8.422 1.00 0.00 C ATOM 1206 O ASN A 76 -0.048 -2.921 9.105 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.006 -0.930 8.037 1.00 0.00 C ATOM 1208 CG ASN A 76 -1.687 0.364 8.787 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -0.640 0.486 9.392 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.549 1.344 8.773 1.00 0.00 N ATOM 0 H ASN A 76 -2.057 -2.784 6.345 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.291 -0.631 6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.784 -0.751 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.392 -1.679 8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.344 2.211 9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.428 1.243 8.266 1.00 0.00 H new ATOM 1217 N ASN A 77 1.359 -1.325 8.564 1.00 0.00 N ATOM 1218 CA ASN A 77 2.346 -1.776 9.586 1.00 0.00 C ATOM 1219 C ASN A 77 2.893 -3.159 9.229 1.00 0.00 C ATOM 1220 O ASN A 77 2.583 -4.142 9.872 1.00 0.00 O ATOM 1221 CB ASN A 77 1.672 -1.836 10.963 1.00 0.00 C ATOM 1222 CG ASN A 77 1.758 -0.470 11.644 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.046 0.447 11.285 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.609 -0.295 12.617 1.00 0.00 N ATOM 0 H ASN A 77 1.644 -0.513 8.016 1.00 0.00 H new ATOM 0 HA ASN A 77 3.172 -1.065 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.629 -2.133 10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.156 -2.592 11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.677 0.612 13.078 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.206 -1.066 12.917 1.00 0.00 H new ATOM 1231 N VAL A 78 3.723 -3.244 8.223 1.00 0.00 N ATOM 1232 CA VAL A 78 4.306 -4.566 7.852 1.00 0.00 C ATOM 1233 C VAL A 78 5.567 -4.786 8.693 1.00 0.00 C ATOM 1234 O VAL A 78 6.615 -5.134 8.187 1.00 0.00 O ATOM 1235 CB VAL A 78 4.669 -4.592 6.360 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.627 -3.442 6.040 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.353 -5.921 6.037 1.00 0.00 C ATOM 0 H VAL A 78 4.021 -2.459 7.645 1.00 0.00 H new ATOM 0 HA VAL A 78 3.578 -5.355 8.041 1.00 0.00 H new ATOM 0 HB VAL A 78 3.763 -4.483 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.882 -3.465 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.148 -2.492 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.535 -3.549 6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.614 -5.948 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.258 -6.020 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.675 -6.744 6.264 1.00 0.00 H new ATOM 1247 N ILE A 79 5.468 -4.569 9.977 1.00 0.00 N ATOM 1248 CA ILE A 79 6.647 -4.742 10.873 1.00 0.00 C ATOM 1249 C ILE A 79 6.146 -5.042 12.289 1.00 0.00 C ATOM 1250 O ILE A 79 5.255 -4.378 12.781 1.00 0.00 O ATOM 1251 CB ILE A 79 7.470 -3.436 10.861 1.00 0.00 C ATOM 1252 CG1 ILE A 79 8.408 -3.445 9.653 1.00 0.00 C ATOM 1253 CG2 ILE A 79 8.310 -3.277 12.141 1.00 0.00 C ATOM 1254 CD1 ILE A 79 7.996 -2.341 8.678 1.00 0.00 C ATOM 0 H ILE A 79 4.612 -4.276 10.448 1.00 0.00 H new ATOM 0 HA ILE A 79 7.275 -5.565 10.534 1.00 0.00 H new ATOM 0 HB ILE A 79 6.772 -2.601 10.806 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.437 -3.293 9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.370 -4.415 9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.874 -2.346 12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.651 -3.257 13.009 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.001 -4.115 12.229 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.665 -2.348 7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.973 -2.514 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 79 8.056 -1.374 9.177 1.00 0.00 H new ATOM 1266 N PRO A 80 6.745 -6.027 12.907 1.00 0.00 N ATOM 1267 CA PRO A 80 6.308 -6.349 14.284 1.00 0.00 C ATOM 1268 C PRO A 80 6.193 -5.060 15.106 1.00 0.00 C ATOM 1269 O PRO A 80 7.023 -4.179 15.015 1.00 0.00 O ATOM 1270 CB PRO A 80 7.401 -7.265 14.836 1.00 0.00 C ATOM 1271 CG PRO A 80 8.659 -6.984 13.997 1.00 0.00 C ATOM 1272 CD PRO A 80 8.161 -6.412 12.660 1.00 0.00 C ATOM 0 HA PRO A 80 5.330 -6.829 14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.583 -7.062 15.891 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.107 -8.312 14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.315 -6.276 14.503 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.235 -7.896 13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.756 -5.552 12.353 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.235 -7.151 11.863 1.00 0.00 H new ATOM 1280 N GLU A 81 5.162 -4.941 15.899 1.00 0.00 N ATOM 1281 CA GLU A 81 4.982 -3.705 16.715 1.00 0.00 C ATOM 1282 C GLU A 81 6.323 -3.270 17.312 1.00 0.00 C ATOM 1283 O GLU A 81 7.160 -4.083 17.651 1.00 0.00 O ATOM 1284 CB GLU A 81 3.985 -3.978 17.843 1.00 0.00 C ATOM 1285 CG GLU A 81 2.652 -3.302 17.517 1.00 0.00 C ATOM 1286 CD GLU A 81 2.706 -1.835 17.946 1.00 0.00 C ATOM 1287 OE1 GLU A 81 2.619 -1.585 19.137 1.00 0.00 O ATOM 1288 OE2 GLU A 81 2.833 -0.988 17.078 1.00 0.00 O ATOM 0 H GLU A 81 4.436 -5.647 16.017 1.00 0.00 H new ATOM 0 HA GLU A 81 4.602 -2.908 16.075 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.841 -5.052 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.376 -3.600 18.788 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.448 -3.372 16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.838 -3.813 18.031 1.00 0.00 H new ATOM 1295 N GLY A 82 6.529 -1.986 17.442 1.00 0.00 N ATOM 1296 CA GLY A 82 7.812 -1.487 18.015 1.00 0.00 C ATOM 1297 C GLY A 82 8.257 -0.233 17.258 1.00 0.00 C ATOM 1298 O GLY A 82 8.912 0.634 17.803 1.00 0.00 O ATOM 0 H GLY A 82 5.863 -1.261 17.176 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.686 -1.260 19.074 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.579 -2.259 17.944 1.00 0.00 H new ATOM 1302 N GLY A 83 7.906 -0.130 16.005 1.00 0.00 N ATOM 1303 CA GLY A 83 8.307 1.067 15.209 1.00 0.00 C ATOM 1304 C GLY A 83 8.700 0.632 13.799 1.00 0.00 C ATOM 1305 O GLY A 83 7.962 -0.052 13.120 1.00 0.00 O ATOM 0 H GLY A 83 7.358 -0.824 15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.484 1.780 15.165 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.143 1.574 15.691 1.00 0.00 H new ATOM 1309 N SER A 84 9.860 1.026 13.353 1.00 0.00 N ATOM 1310 CA SER A 84 10.300 0.638 11.986 1.00 0.00 C ATOM 1311 C SER A 84 9.467 1.392 10.947 1.00 0.00 C ATOM 1312 O SER A 84 9.611 1.187 9.757 1.00 0.00 O ATOM 1313 CB SER A 84 10.111 -0.865 11.794 1.00 0.00 C ATOM 1314 OG SER A 84 10.369 -1.532 13.024 1.00 0.00 O ATOM 0 H SER A 84 10.521 1.600 13.876 1.00 0.00 H new ATOM 0 HA SER A 84 11.353 0.890 11.861 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.095 -1.076 11.459 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.785 -1.232 11.020 1.00 0.00 H new ATOM 0 HG SER A 84 10.862 -2.361 12.849 1.00 0.00 H new ATOM 1320 N GLN A 85 8.597 2.265 11.380 1.00 0.00 N ATOM 1321 CA GLN A 85 7.764 3.025 10.409 1.00 0.00 C ATOM 1322 C GLN A 85 6.841 2.053 9.668 1.00 0.00 C ATOM 1323 O GLN A 85 7.299 1.105 9.062 1.00 0.00 O ATOM 1324 CB GLN A 85 8.688 3.735 9.423 1.00 0.00 C ATOM 1325 CG GLN A 85 9.894 4.276 10.188 1.00 0.00 C ATOM 1326 CD GLN A 85 10.361 5.587 9.556 1.00 0.00 C ATOM 1327 OE1 GLN A 85 9.720 6.108 8.664 1.00 0.00 O ATOM 1328 NE2 GLN A 85 11.458 6.148 9.984 1.00 0.00 N ATOM 0 H GLN A 85 8.429 2.483 12.362 1.00 0.00 H new ATOM 0 HA GLN A 85 7.153 3.764 10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.013 3.045 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.159 4.549 8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.630 4.439 11.233 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.703 3.546 10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.996 5.711 10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.778 7.024 9.570 1.00 0.00 H new ATOM 1337 N PRO A 86 5.565 2.314 9.762 1.00 0.00 N ATOM 1338 CA PRO A 86 4.598 1.412 9.096 1.00 0.00 C ATOM 1339 C PRO A 86 3.978 2.089 7.870 1.00 0.00 C ATOM 1340 O PRO A 86 3.877 3.298 7.804 1.00 0.00 O ATOM 1341 CB PRO A 86 3.532 1.160 10.163 1.00 0.00 C ATOM 1342 CG PRO A 86 3.606 2.346 11.141 1.00 0.00 C ATOM 1343 CD PRO A 86 4.990 2.984 10.953 1.00 0.00 C ATOM 0 HA PRO A 86 5.063 0.494 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.542 1.089 9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.715 0.218 10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.816 3.068 10.935 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.471 2.010 12.169 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.911 4.060 10.800 1.00 0.00 H new ATOM 0 HD3 PRO A 86 5.617 2.832 11.832 1.00 0.00 H new ATOM 1351 N LEU A 87 3.558 1.321 6.895 1.00 0.00 N ATOM 1352 CA LEU A 87 2.946 1.938 5.683 1.00 0.00 C ATOM 1353 C LEU A 87 1.583 2.523 6.040 1.00 0.00 C ATOM 1354 O LEU A 87 0.680 1.816 6.441 1.00 0.00 O ATOM 1355 CB LEU A 87 2.748 0.893 4.571 1.00 0.00 C ATOM 1356 CG LEU A 87 2.328 -0.449 5.160 1.00 0.00 C ATOM 1357 CD1 LEU A 87 1.106 -0.961 4.393 1.00 0.00 C ATOM 1358 CD2 LEU A 87 3.472 -1.451 5.009 1.00 0.00 C ATOM 0 H LEU A 87 3.613 0.302 6.887 1.00 0.00 H new ATOM 0 HA LEU A 87 3.619 2.718 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.990 1.241 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.674 0.775 4.008 1.00 0.00 H new ATOM 0 HG LEU A 87 2.086 -0.331 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.794 -1.921 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.290 -0.244 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.362 -1.083 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.173 -2.411 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.709 -1.576 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.351 -1.082 5.537 1.00 0.00 H new ATOM 1370 N SER A 88 1.411 3.802 5.868 1.00 0.00 N ATOM 1371 CA SER A 88 0.089 4.407 6.166 1.00 0.00 C ATOM 1372 C SER A 88 -0.817 4.091 4.983 1.00 0.00 C ATOM 1373 O SER A 88 -0.742 4.729 3.952 1.00 0.00 O ATOM 1374 CB SER A 88 0.229 5.922 6.329 1.00 0.00 C ATOM 1375 OG SER A 88 0.231 6.248 7.712 1.00 0.00 O ATOM 0 H SER A 88 2.125 4.450 5.536 1.00 0.00 H new ATOM 0 HA SER A 88 -0.323 4.008 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.152 6.266 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.593 6.431 5.825 1.00 0.00 H new ATOM 0 HG SER A 88 0.322 7.218 7.819 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.631 3.073 5.113 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.513 2.654 3.982 1.00 0.00 C ATOM 1383 C VAL A 89 -3.745 3.558 3.860 1.00 0.00 C ATOM 1384 O VAL A 89 -4.211 4.145 4.817 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.974 1.217 4.224 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.758 0.289 4.285 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.737 1.150 5.547 1.00 0.00 C ATOM 0 H VAL A 89 -1.722 2.511 5.960 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.943 2.732 3.056 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.625 0.900 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.090 -0.735 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.214 0.340 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.103 0.600 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.068 0.127 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.084 1.466 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.604 1.809 5.501 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.267 3.644 2.664 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.474 4.476 2.382 1.00 0.00 C ATOM 1399 C ARG A 90 -5.445 4.881 0.906 1.00 0.00 C ATOM 1400 O ARG A 90 -4.400 5.166 0.346 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.474 5.730 3.260 1.00 0.00 C ATOM 1402 CG ARG A 90 -4.066 6.323 3.313 1.00 0.00 C ATOM 1403 CD ARG A 90 -4.154 7.846 3.205 1.00 0.00 C ATOM 1404 NE ARG A 90 -3.250 8.317 2.120 1.00 0.00 N ATOM 1405 CZ ARG A 90 -3.479 9.458 1.531 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -4.574 9.627 0.842 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -2.615 10.431 1.635 1.00 0.00 N ATOM 0 H ARG A 90 -3.895 3.158 1.848 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.375 3.903 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.173 6.465 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.812 5.481 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.575 6.041 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.460 5.924 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.180 8.148 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.873 8.306 4.153 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.452 7.748 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.250 8.867 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.754 10.519 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.761 10.299 2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.794 11.323 1.174 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.581 4.896 0.270 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.625 5.271 -1.170 1.00 0.00 C ATOM 1423 C LEU A 91 -6.081 6.693 -1.346 1.00 0.00 C ATOM 1424 O LEU A 91 -6.419 7.592 -0.603 1.00 0.00 O ATOM 1425 CB LEU A 91 -8.074 5.211 -1.652 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.159 4.405 -2.951 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -7.081 4.880 -3.925 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -7.953 2.919 -2.648 1.00 0.00 C ATOM 0 H LEU A 91 -7.483 4.664 0.686 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.014 4.581 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.702 4.753 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.454 6.220 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.141 4.552 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.145 4.304 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.230 5.937 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.098 4.739 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.014 2.347 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.973 2.773 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.726 2.578 -1.959 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.236 6.900 -2.320 1.00 0.00 N ATOM 1441 CA ALA A 92 -4.668 8.263 -2.538 1.00 0.00 C ATOM 1442 C ALA A 92 -5.510 9.010 -3.573 1.00 0.00 C ATOM 1443 O ALA A 92 -5.635 10.218 -3.531 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.229 8.142 -3.044 1.00 0.00 C ATOM 0 H ALA A 92 -4.915 6.186 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.678 8.813 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.814 9.137 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.627 7.612 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.219 7.590 -3.984 1.00 0.00 H new ATOM 1450 N GLU A 93 -6.081 8.300 -4.505 1.00 0.00 N ATOM 1451 CA GLU A 93 -6.909 8.970 -5.548 1.00 0.00 C ATOM 1452 C GLU A 93 -5.988 9.647 -6.562 1.00 0.00 C ATOM 1453 O GLU A 93 -5.984 10.853 -6.703 1.00 0.00 O ATOM 1454 CB GLU A 93 -7.808 10.020 -4.890 1.00 0.00 C ATOM 1455 CG GLU A 93 -9.229 9.894 -5.441 1.00 0.00 C ATOM 1456 CD GLU A 93 -9.321 10.620 -6.785 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -9.274 11.838 -6.782 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -9.436 9.943 -7.794 1.00 0.00 O ATOM 0 H GLU A 93 -6.011 7.286 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.530 8.231 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.813 9.884 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.419 11.020 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.491 8.843 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.943 10.320 -4.736 1.00 0.00 H new ATOM 1465 N GLU A 94 -5.202 8.878 -7.264 1.00 0.00 N ATOM 1466 CA GLU A 94 -4.276 9.478 -8.265 1.00 0.00 C ATOM 1467 C GLU A 94 -4.407 8.734 -9.596 1.00 0.00 C ATOM 1468 O GLU A 94 -4.295 9.317 -10.656 1.00 0.00 O ATOM 1469 CB GLU A 94 -2.837 9.368 -7.756 1.00 0.00 C ATOM 1470 CG GLU A 94 -2.520 10.562 -6.853 1.00 0.00 C ATOM 1471 CD GLU A 94 -1.125 10.390 -6.249 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -0.798 9.279 -5.866 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -0.406 11.374 -6.179 1.00 0.00 O ATOM 0 H GLU A 94 -5.161 7.862 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.531 10.528 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.706 8.437 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.144 9.341 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.568 11.488 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.264 10.639 -6.060 1.00 0.00 H new ATOM 1480 N HIS A 95 -4.640 7.451 -9.551 1.00 0.00 N ATOM 1481 CA HIS A 95 -4.775 6.673 -10.817 1.00 0.00 C ATOM 1482 C HIS A 95 -5.746 5.507 -10.607 1.00 0.00 C ATOM 1483 O HIS A 95 -6.942 5.649 -10.769 1.00 0.00 O ATOM 1484 CB HIS A 95 -3.404 6.132 -11.227 1.00 0.00 C ATOM 1485 CG HIS A 95 -2.625 7.218 -11.917 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -2.672 7.405 -13.291 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -1.772 8.184 -11.437 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -1.870 8.445 -13.586 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -1.298 8.956 -12.492 1.00 0.00 N ATOM 0 H HIS A 95 -4.743 6.907 -8.694 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.161 7.323 -11.603 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.861 5.782 -10.349 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.522 5.276 -11.891 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -1.510 8.322 -10.398 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.708 8.821 -14.586 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.652 9.744 -12.441 1.00 0.00 H new ATOM 1497 N GLY A 96 -5.244 4.354 -10.250 1.00 0.00 N ATOM 1498 CA GLY A 96 -6.147 3.186 -10.036 1.00 0.00 C ATOM 1499 C GLY A 96 -5.333 1.985 -9.545 1.00 0.00 C ATOM 1500 O GLY A 96 -5.721 1.298 -8.622 1.00 0.00 O ATOM 0 H GLY A 96 -4.252 4.171 -10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.917 3.438 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.659 2.935 -10.965 1.00 0.00 H new ATOM 1504 N LYS A 97 -4.208 1.725 -10.152 1.00 0.00 N ATOM 1505 CA LYS A 97 -3.379 0.567 -9.712 1.00 0.00 C ATOM 1506 C LYS A 97 -2.077 1.075 -9.090 1.00 0.00 C ATOM 1507 O LYS A 97 -1.042 0.494 -9.372 1.00 0.00 O ATOM 1508 CB LYS A 97 -3.056 -0.323 -10.915 1.00 0.00 C ATOM 1509 CG LYS A 97 -2.746 0.555 -12.129 1.00 0.00 C ATOM 1510 CD LYS A 97 -1.857 -0.216 -13.107 1.00 0.00 C ATOM 1511 CE LYS A 97 -1.370 0.731 -14.205 1.00 0.00 C ATOM 1512 NZ LYS A 97 -1.483 0.058 -15.530 1.00 0.00 N ATOM 1513 OXT LYS A 97 -2.137 2.037 -8.342 1.00 0.00 O ATOM 0 H LYS A 97 -3.828 2.262 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.933 -0.011 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.204 -0.964 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.899 -0.979 -11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.672 0.853 -12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.246 1.470 -11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.006 -0.647 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.413 -1.044 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.962 1.646 -14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.335 1.019 -14.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.152 0.702 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.900 -0.803 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.476 -0.195 -15.707 1.00 0.00 H new