USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 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= -2.81! C(o=-2.9!,f=-5.8!) USER MOD Set 1.2: A 77 ASN :FLIP amide:sc= -0.117 F(o=-3.9,f=-2.9) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0725 (180deg=-0.662) USER MOD Single : A 14 THR OG1 : rot -44:sc= -1.09 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.445 F(o=-2.1!,f=-0.45) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.82! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 20 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.3!) USER MOD Single : A 24 THR OG1 : rot -30:sc= 0.303 USER MOD Single : A 26 THR OG1 : rot -148:sc= -1.66! USER MOD Single : A 29 GLN : amide:sc= -1.39 K(o=-1.4,f=-9.2!) USER MOD Single : A 32 THR OG1 : 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 -63:sc= -1.13 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.1 K(o=-1.1,f=-6.8!) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= -3.68! (180deg=-6.43!) USER MOD Single : A 44 ASN : amide:sc= -2.37 X(o=-2.4,f=-2.6!) USER MOD Single : A 62 TYR OH : rot 14:sc= -5.34! USER MOD Single : A 63 ASN : amide:sc= -1.02 K(o=-1,f=-6.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -2:sc= 0.947 USER MOD Single : A 84 SER OG : rot -66:sc= 0.451 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS :FLIP no HE2:sc= -1.7 F(o=-2.6!,f=-1.7) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -8.989 2.371 -11.075 1.00 0.00 N ATOM 160 CA LYS A 12 -10.403 1.952 -11.354 1.00 0.00 C ATOM 161 C LYS A 12 -10.853 0.836 -10.405 1.00 0.00 C ATOM 162 O LYS A 12 -11.613 -0.034 -10.779 1.00 0.00 O ATOM 163 CB LYS A 12 -10.510 1.459 -12.800 1.00 0.00 C ATOM 164 CG LYS A 12 -10.254 2.623 -13.762 1.00 0.00 C ATOM 165 CD LYS A 12 -11.589 3.242 -14.183 1.00 0.00 C ATOM 166 CE LYS A 12 -11.338 4.365 -15.192 1.00 0.00 C ATOM 167 NZ LYS A 12 -10.699 3.803 -16.416 1.00 0.00 N ATOM 0 HA LYS A 12 -11.051 2.815 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.788 0.662 -12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.499 1.038 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.628 3.375 -13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.712 2.271 -14.639 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.232 2.480 -14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.111 3.634 -13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.278 4.852 -15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.695 5.127 -14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.862 4.444 -17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.676 3.700 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.112 2.872 -16.627 1.00 0.00 H new ATOM 181 N ASP A 13 -10.403 0.853 -9.182 1.00 0.00 N ATOM 182 CA ASP A 13 -10.826 -0.205 -8.224 1.00 0.00 C ATOM 183 C ASP A 13 -10.542 0.239 -6.783 1.00 0.00 C ATOM 184 O ASP A 13 -11.352 0.895 -6.159 1.00 0.00 O ATOM 185 CB ASP A 13 -10.079 -1.501 -8.524 1.00 0.00 C ATOM 186 CG ASP A 13 -10.740 -2.204 -9.713 1.00 0.00 C ATOM 187 OD1 ASP A 13 -11.948 -2.372 -9.680 1.00 0.00 O ATOM 188 OD2 ASP A 13 -10.025 -2.565 -10.634 1.00 0.00 O ATOM 0 H ASP A 13 -9.762 1.552 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.897 -0.373 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.034 -1.288 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.091 -2.152 -7.650 1.00 0.00 H new ATOM 193 N THR A 14 -9.406 -0.129 -6.242 1.00 0.00 N ATOM 194 CA THR A 14 -9.092 0.259 -4.836 1.00 0.00 C ATOM 195 C THR A 14 -7.590 0.113 -4.543 1.00 0.00 C ATOM 196 O THR A 14 -7.134 -0.944 -4.161 1.00 0.00 O ATOM 197 CB THR A 14 -9.879 -0.645 -3.887 1.00 0.00 C ATOM 198 OG1 THR A 14 -11.203 -0.807 -4.377 1.00 0.00 O ATOM 199 CG2 THR A 14 -9.921 -0.012 -2.500 1.00 0.00 C ATOM 0 H THR A 14 -8.687 -0.679 -6.713 1.00 0.00 H new ATOM 0 HA THR A 14 -9.370 1.303 -4.691 1.00 0.00 H new ATOM 0 HB THR A 14 -9.394 -1.619 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.554 0.062 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.482 -0.656 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.905 0.111 -2.125 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.406 0.962 -2.559 1.00 0.00 H new ATOM 207 N ASN A 15 -6.824 1.168 -4.685 1.00 0.00 N ATOM 208 CA ASN A 15 -5.360 1.081 -4.369 1.00 0.00 C ATOM 209 C ASN A 15 -5.106 1.739 -3.007 1.00 0.00 C ATOM 210 O ASN A 15 -5.943 2.449 -2.495 1.00 0.00 O ATOM 211 CB ASN A 15 -4.528 1.780 -5.458 1.00 0.00 C ATOM 212 CG ASN A 15 -4.963 3.239 -5.623 1.00 0.00 C ATOM 213 OD1 ASN A 15 -4.816 4.080 -4.634 1.00 0.00 O flip ATOM 214 ND2 ASN A 15 -5.419 3.626 -6.679 1.00 0.00 N flip ATOM 0 H ASN A 15 -7.146 2.082 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.060 0.034 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.471 1.739 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.643 1.252 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.536 2.973 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.686 4.604 -6.792 1.00 0.00 H new ATOM 221 N LEU A 16 -3.961 1.526 -2.405 1.00 0.00 N ATOM 222 CA LEU A 16 -3.710 2.174 -1.079 1.00 0.00 C ATOM 223 C LEU A 16 -2.337 2.843 -1.066 1.00 0.00 C ATOM 224 O LEU A 16 -1.313 2.217 -1.283 1.00 0.00 O ATOM 225 CB LEU A 16 -3.833 1.156 0.076 1.00 0.00 C ATOM 226 CG LEU A 16 -2.617 0.220 0.155 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.860 -0.827 1.241 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.447 -0.510 -1.163 1.00 0.00 C ATOM 0 H LEU A 16 -3.204 0.945 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.472 2.939 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.940 1.691 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.738 0.563 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.729 0.811 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.000 -1.494 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.002 -0.330 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.751 -1.405 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.584 -1.173 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.341 -1.097 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.294 0.214 -1.963 1.00 0.00 H new ATOM 240 N TYR A 17 -2.324 4.126 -0.809 1.00 0.00 N ATOM 241 CA TYR A 17 -1.044 4.881 -0.768 1.00 0.00 C ATOM 242 C TYR A 17 -0.373 4.625 0.581 1.00 0.00 C ATOM 243 O TYR A 17 -0.907 4.945 1.624 1.00 0.00 O ATOM 244 CB TYR A 17 -1.349 6.383 -0.964 1.00 0.00 C ATOM 245 CG TYR A 17 -0.479 7.247 -0.071 1.00 0.00 C ATOM 246 CD1 TYR A 17 0.916 7.176 -0.167 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.074 8.115 0.854 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.715 7.975 0.661 1.00 0.00 C ATOM 249 CE2 TYR A 17 -0.274 8.913 1.681 1.00 0.00 C ATOM 250 CZ TYR A 17 1.119 8.843 1.585 1.00 0.00 C ATOM 251 OH TYR A 17 1.907 9.631 2.400 1.00 0.00 O ATOM 0 H TYR A 17 -3.157 4.685 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.370 4.558 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.186 6.656 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.400 6.574 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.376 6.506 -0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.150 8.169 0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.791 7.922 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.733 9.583 2.393 1.00 0.00 H new ATOM 0 HH TYR A 17 1.335 10.175 2.981 1.00 0.00 H new ATOM 261 N VAL A 18 0.788 4.039 0.565 1.00 0.00 N ATOM 262 CA VAL A 18 1.489 3.750 1.842 1.00 0.00 C ATOM 263 C VAL A 18 2.515 4.850 2.128 1.00 0.00 C ATOM 264 O VAL A 18 3.117 5.402 1.228 1.00 0.00 O ATOM 265 CB VAL A 18 2.197 2.400 1.734 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.161 1.275 1.709 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.020 2.357 0.450 1.00 0.00 C ATOM 0 H VAL A 18 1.282 3.747 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 18 0.765 3.718 2.656 1.00 0.00 H new ATOM 0 HB VAL A 18 2.854 2.269 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.669 0.314 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.573 1.302 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.502 1.407 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.525 1.394 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.362 2.491 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.762 3.155 0.467 1.00 0.00 H new ATOM 277 N THR A 19 2.718 5.169 3.378 1.00 0.00 N ATOM 278 CA THR A 19 3.704 6.232 3.729 1.00 0.00 C ATOM 279 C THR A 19 4.739 5.665 4.702 1.00 0.00 C ATOM 280 O THR A 19 4.565 4.597 5.256 1.00 0.00 O ATOM 281 CB THR A 19 2.979 7.405 4.392 1.00 0.00 C ATOM 282 OG1 THR A 19 3.876 8.082 5.263 1.00 0.00 O ATOM 283 CG2 THR A 19 1.785 6.884 5.192 1.00 0.00 C ATOM 0 H THR A 19 2.243 4.739 4.172 1.00 0.00 H new ATOM 0 HA THR A 19 4.202 6.576 2.822 1.00 0.00 H new ATOM 0 HB THR A 19 2.626 8.094 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.414 8.835 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.270 7.721 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.098 6.365 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.135 6.194 5.960 1.00 0.00 H new ATOM 291 N ASN A 20 5.814 6.375 4.915 1.00 0.00 N ATOM 292 CA ASN A 20 6.861 5.881 5.853 1.00 0.00 C ATOM 293 C ASN A 20 7.610 4.714 5.209 1.00 0.00 C ATOM 294 O ASN A 20 8.267 3.940 5.878 1.00 0.00 O ATOM 295 CB ASN A 20 6.198 5.409 7.148 1.00 0.00 C ATOM 296 CG ASN A 20 6.727 6.233 8.324 1.00 0.00 C ATOM 297 OD1 ASN A 20 7.856 6.684 8.304 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.955 6.447 9.352 1.00 0.00 N ATOM 0 H ASN A 20 6.012 7.276 4.480 1.00 0.00 H new ATOM 0 HA ASN A 20 7.563 6.685 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.116 5.515 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.404 4.351 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.298 6.994 10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.008 6.068 9.367 1.00 0.00 H new ATOM 305 N LEU A 21 7.511 4.575 3.916 1.00 0.00 N ATOM 306 CA LEU A 21 8.211 3.453 3.226 1.00 0.00 C ATOM 307 C LEU A 21 9.698 3.463 3.587 1.00 0.00 C ATOM 308 O LEU A 21 10.436 4.329 3.158 1.00 0.00 O ATOM 309 CB LEU A 21 8.054 3.611 1.709 1.00 0.00 C ATOM 310 CG LEU A 21 8.770 2.467 0.977 1.00 0.00 C ATOM 311 CD1 LEU A 21 10.266 2.776 0.882 1.00 0.00 C ATOM 312 CD2 LEU A 21 8.571 1.152 1.738 1.00 0.00 C ATOM 0 H LEU A 21 6.974 5.191 3.305 1.00 0.00 H new ATOM 0 HA LEU A 21 7.772 2.508 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.997 3.615 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.466 4.569 1.392 1.00 0.00 H new ATOM 0 HG LEU A 21 8.351 2.369 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.773 1.963 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.411 3.705 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.680 2.880 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.082 0.346 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.982 1.247 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.507 0.926 1.802 1.00 0.00 H new ATOM 324 N PRO A 22 10.090 2.484 4.359 1.00 0.00 N ATOM 325 CA PRO A 22 11.513 2.407 4.749 1.00 0.00 C ATOM 326 C PRO A 22 12.323 1.745 3.629 1.00 0.00 C ATOM 327 O PRO A 22 11.830 0.889 2.921 1.00 0.00 O ATOM 328 CB PRO A 22 11.519 1.543 6.010 1.00 0.00 C ATOM 329 CG PRO A 22 10.228 0.707 5.968 1.00 0.00 C ATOM 330 CD PRO A 22 9.272 1.424 4.999 1.00 0.00 C ATOM 0 HA PRO A 22 11.959 3.386 4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.398 0.899 6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.552 2.163 6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.434 -0.308 5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.785 0.627 6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.872 0.733 4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.420 1.850 5.529 1.00 0.00 H new ATOM 338 N ARG A 23 13.555 2.136 3.456 1.00 0.00 N ATOM 339 CA ARG A 23 14.381 1.529 2.373 1.00 0.00 C ATOM 340 C ARG A 23 15.069 0.264 2.888 1.00 0.00 C ATOM 341 O ARG A 23 16.041 -0.197 2.323 1.00 0.00 O ATOM 342 CB ARG A 23 15.436 2.534 1.913 1.00 0.00 C ATOM 343 CG ARG A 23 14.987 3.176 0.599 1.00 0.00 C ATOM 344 CD ARG A 23 13.910 4.225 0.886 1.00 0.00 C ATOM 345 NE ARG A 23 14.463 5.271 1.791 1.00 0.00 N ATOM 346 CZ ARG A 23 15.692 5.685 1.638 1.00 0.00 C ATOM 347 NH1 ARG A 23 16.066 6.217 0.506 1.00 0.00 N ATOM 348 NH2 ARG A 23 16.547 5.563 2.615 1.00 0.00 N ATOM 0 H ARG A 23 14.025 2.847 4.016 1.00 0.00 H new ATOM 0 HA ARG A 23 13.736 1.267 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 15.580 3.301 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 23 16.395 2.035 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.837 3.640 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.597 2.414 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.571 4.678 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.042 3.753 1.346 1.00 0.00 H new ATOM 0 HE ARG A 23 13.881 5.664 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.398 6.309 -0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.026 6.540 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.256 5.144 3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.507 5.886 2.496 1.00 0.00 H new ATOM 362 N THR A 24 14.574 -0.305 3.952 1.00 0.00 N ATOM 363 CA THR A 24 15.200 -1.543 4.492 1.00 0.00 C ATOM 364 C THR A 24 14.561 -2.766 3.830 1.00 0.00 C ATOM 365 O THR A 24 14.986 -3.887 4.032 1.00 0.00 O ATOM 366 CB THR A 24 14.985 -1.607 6.006 1.00 0.00 C ATOM 367 OG1 THR A 24 15.677 -2.730 6.534 1.00 0.00 O ATOM 368 CG2 THR A 24 13.492 -1.738 6.306 1.00 0.00 C ATOM 0 H THR A 24 13.764 0.034 4.470 1.00 0.00 H new ATOM 0 HA THR A 24 16.269 -1.533 4.280 1.00 0.00 H new ATOM 0 HB THR A 24 15.367 -0.696 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.720 -3.436 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.340 -1.784 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.962 -0.876 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.107 -2.649 5.847 1.00 0.00 H new ATOM 376 N ILE A 25 13.542 -2.561 3.039 1.00 0.00 N ATOM 377 CA ILE A 25 12.878 -3.711 2.363 1.00 0.00 C ATOM 378 C ILE A 25 12.653 -3.369 0.888 1.00 0.00 C ATOM 379 O ILE A 25 13.205 -2.417 0.375 1.00 0.00 O ATOM 380 CB ILE A 25 11.539 -3.991 3.044 1.00 0.00 C ATOM 381 CG1 ILE A 25 10.904 -2.667 3.479 1.00 0.00 C ATOM 382 CG2 ILE A 25 11.771 -4.872 4.274 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.395 -2.719 3.234 1.00 0.00 C ATOM 0 H ILE A 25 13.141 -1.646 2.832 1.00 0.00 H new ATOM 0 HA ILE A 25 13.509 -4.597 2.433 1.00 0.00 H new ATOM 0 HB ILE A 25 10.874 -4.503 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.106 -2.484 4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.345 -1.840 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.818 -5.074 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.227 -5.813 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.433 -4.358 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.943 -1.777 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.204 -2.882 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.961 -3.536 3.810 1.00 0.00 H new ATOM 395 N THR A 26 11.855 -4.139 0.196 1.00 0.00 N ATOM 396 CA THR A 26 11.616 -3.845 -1.248 1.00 0.00 C ATOM 397 C THR A 26 10.129 -4.007 -1.574 1.00 0.00 C ATOM 398 O THR A 26 9.433 -4.805 -0.975 1.00 0.00 O ATOM 399 CB THR A 26 12.436 -4.806 -2.124 1.00 0.00 C ATOM 400 OG1 THR A 26 11.582 -5.813 -2.652 1.00 0.00 O ATOM 401 CG2 THR A 26 13.544 -5.463 -1.296 1.00 0.00 C ATOM 0 H THR A 26 11.362 -4.952 0.564 1.00 0.00 H new ATOM 0 HA THR A 26 11.923 -2.819 -1.452 1.00 0.00 H new ATOM 0 HB THR A 26 12.889 -4.241 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.086 -6.647 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.117 -6.141 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.205 -4.694 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.100 -6.023 -0.473 1.00 0.00 H new ATOM 409 N ASP A 27 9.641 -3.262 -2.528 1.00 0.00 N ATOM 410 CA ASP A 27 8.206 -3.376 -2.902 1.00 0.00 C ATOM 411 C ASP A 27 7.911 -4.820 -3.307 1.00 0.00 C ATOM 412 O ASP A 27 7.044 -5.466 -2.753 1.00 0.00 O ATOM 413 CB ASP A 27 7.908 -2.445 -4.079 1.00 0.00 C ATOM 414 CG ASP A 27 6.925 -1.363 -3.631 1.00 0.00 C ATOM 415 OD1 ASP A 27 6.988 -0.974 -2.477 1.00 0.00 O ATOM 416 OD2 ASP A 27 6.125 -0.942 -4.450 1.00 0.00 O ATOM 0 H ASP A 27 10.176 -2.579 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 27 7.581 -3.095 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.830 -1.988 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.488 -3.013 -4.909 1.00 0.00 H new ATOM 421 N ASP A 28 8.633 -5.336 -4.263 1.00 0.00 N ATOM 422 CA ASP A 28 8.395 -6.740 -4.689 1.00 0.00 C ATOM 423 C ASP A 28 8.361 -7.634 -3.449 1.00 0.00 C ATOM 424 O ASP A 28 7.768 -8.696 -3.452 1.00 0.00 O ATOM 425 CB ASP A 28 9.524 -7.192 -5.619 1.00 0.00 C ATOM 426 CG ASP A 28 10.855 -7.146 -4.865 1.00 0.00 C ATOM 427 OD1 ASP A 28 10.958 -7.807 -3.845 1.00 0.00 O ATOM 428 OD2 ASP A 28 11.747 -6.450 -5.319 1.00 0.00 O ATOM 0 H ASP A 28 9.374 -4.847 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 28 7.446 -6.810 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.332 -8.203 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.568 -6.546 -6.496 1.00 0.00 H new ATOM 433 N GLN A 29 8.987 -7.210 -2.385 1.00 0.00 N ATOM 434 CA GLN A 29 8.986 -8.030 -1.143 1.00 0.00 C ATOM 435 C GLN A 29 7.596 -7.982 -0.513 1.00 0.00 C ATOM 436 O GLN A 29 7.053 -8.991 -0.109 1.00 0.00 O ATOM 437 CB GLN A 29 10.013 -7.473 -0.153 1.00 0.00 C ATOM 438 CG GLN A 29 10.217 -8.474 0.987 1.00 0.00 C ATOM 439 CD GLN A 29 11.268 -7.936 1.961 1.00 0.00 C ATOM 440 OE1 GLN A 29 11.515 -6.746 2.009 1.00 0.00 O ATOM 441 NE2 GLN A 29 11.902 -8.767 2.744 1.00 0.00 N ATOM 0 H GLN A 29 9.499 -6.330 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 29 9.246 -9.060 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.959 -7.286 -0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.670 -6.518 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.275 -8.643 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.536 -9.436 0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.695 -9.765 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.605 -8.418 3.396 1.00 0.00 H new ATOM 450 N LEU A 30 7.010 -6.821 -0.434 1.00 0.00 N ATOM 451 CA LEU A 30 5.650 -6.724 0.159 1.00 0.00 C ATOM 452 C LEU A 30 4.772 -7.822 -0.444 1.00 0.00 C ATOM 453 O LEU A 30 3.930 -8.394 0.215 1.00 0.00 O ATOM 454 CB LEU A 30 5.048 -5.356 -0.166 1.00 0.00 C ATOM 455 CG LEU A 30 5.273 -4.398 1.004 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.769 -4.119 1.156 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.538 -3.090 0.717 1.00 0.00 C ATOM 0 H LEU A 30 7.412 -5.940 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 30 5.707 -6.844 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.505 -4.953 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.981 -5.456 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 30 4.896 -4.842 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.929 -3.436 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.296 -5.054 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.150 -3.668 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.691 -2.398 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.926 -2.649 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.472 -3.289 0.602 1.00 0.00 H new ATOM 469 N ASP A 31 4.967 -8.129 -1.697 1.00 0.00 N ATOM 470 CA ASP A 31 4.146 -9.194 -2.336 1.00 0.00 C ATOM 471 C ASP A 31 4.145 -10.435 -1.442 1.00 0.00 C ATOM 472 O ASP A 31 3.108 -10.985 -1.125 1.00 0.00 O ATOM 473 CB ASP A 31 4.735 -9.543 -3.705 1.00 0.00 C ATOM 474 CG ASP A 31 3.606 -9.958 -4.649 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.633 -10.516 -4.169 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.733 -9.713 -5.837 1.00 0.00 O ATOM 0 H ASP A 31 5.658 -7.689 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 31 3.123 -8.840 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.269 -8.685 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.459 -10.352 -3.607 1.00 0.00 H new ATOM 481 N THR A 32 5.300 -10.880 -1.032 1.00 0.00 N ATOM 482 CA THR A 32 5.373 -12.085 -0.160 1.00 0.00 C ATOM 483 C THR A 32 5.080 -11.694 1.296 1.00 0.00 C ATOM 484 O THR A 32 4.821 -12.540 2.131 1.00 0.00 O ATOM 485 CB THR A 32 6.780 -12.690 -0.261 1.00 0.00 C ATOM 486 OG1 THR A 32 6.906 -13.385 -1.493 1.00 0.00 O ATOM 487 CG2 THR A 32 7.013 -13.663 0.898 1.00 0.00 C ATOM 0 H THR A 32 6.200 -10.459 -1.264 1.00 0.00 H new ATOM 0 HA THR A 32 4.633 -12.817 -0.484 1.00 0.00 H new ATOM 0 HB THR A 32 7.519 -11.891 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.804 -13.771 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.013 -14.089 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.918 -13.131 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.274 -14.463 0.856 1.00 0.00 H new ATOM 495 N ILE A 33 5.125 -10.428 1.614 1.00 0.00 N ATOM 496 CA ILE A 33 4.857 -10.010 3.022 1.00 0.00 C ATOM 497 C ILE A 33 3.382 -10.265 3.369 1.00 0.00 C ATOM 498 O ILE A 33 3.073 -10.834 4.399 1.00 0.00 O ATOM 499 CB ILE A 33 5.229 -8.525 3.204 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.870 -8.333 4.581 1.00 0.00 C ATOM 501 CG2 ILE A 33 3.993 -7.623 3.094 1.00 0.00 C ATOM 502 CD1 ILE A 33 7.165 -7.534 4.432 1.00 0.00 C ATOM 0 H ILE A 33 5.334 -9.669 0.965 1.00 0.00 H new ATOM 0 HA ILE A 33 5.471 -10.599 3.704 1.00 0.00 H new ATOM 0 HB ILE A 33 5.928 -8.247 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.182 -7.810 5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.078 -9.302 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.289 -6.582 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.538 -7.748 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.273 -7.897 3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.622 -7.397 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.854 -8.075 3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.944 -6.560 3.995 1.00 0.00 H new ATOM 514 N PHE A 34 2.465 -9.862 2.526 1.00 0.00 N ATOM 515 CA PHE A 34 1.025 -10.106 2.835 1.00 0.00 C ATOM 516 C PHE A 34 0.585 -11.427 2.200 1.00 0.00 C ATOM 517 O PHE A 34 -0.128 -12.206 2.801 1.00 0.00 O ATOM 518 CB PHE A 34 0.154 -8.958 2.309 1.00 0.00 C ATOM 519 CG PHE A 34 0.519 -8.602 0.884 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.495 -7.631 0.633 1.00 0.00 C ATOM 521 CD2 PHE A 34 -0.142 -9.218 -0.185 1.00 0.00 C ATOM 522 CE1 PHE A 34 1.810 -7.275 -0.682 1.00 0.00 C ATOM 523 CE2 PHE A 34 0.177 -8.864 -1.501 1.00 0.00 C ATOM 524 CZ PHE A 34 1.153 -7.892 -1.749 1.00 0.00 C ATOM 0 H PHE A 34 2.649 -9.380 1.646 1.00 0.00 H new ATOM 0 HA PHE A 34 0.902 -10.160 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.897 -9.244 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.276 -8.083 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.006 -7.155 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.898 -9.966 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.561 -6.523 -0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.331 -9.341 -2.326 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.398 -7.619 -2.765 1.00 0.00 H new ATOM 534 N GLY A 35 1.005 -11.689 0.995 1.00 0.00 N ATOM 535 CA GLY A 35 0.613 -12.964 0.333 1.00 0.00 C ATOM 536 C GLY A 35 0.012 -12.666 -1.038 1.00 0.00 C ATOM 537 O GLY A 35 0.658 -12.816 -2.056 1.00 0.00 O ATOM 0 H GLY A 35 1.602 -11.076 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.483 -13.613 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.110 -13.498 0.950 1.00 0.00 H new ATOM 541 N LYS A 36 -1.220 -12.243 -1.073 1.00 0.00 N ATOM 542 CA LYS A 36 -1.864 -11.936 -2.380 1.00 0.00 C ATOM 543 C LYS A 36 -3.337 -11.587 -2.164 1.00 0.00 C ATOM 544 O LYS A 36 -4.218 -12.389 -2.405 1.00 0.00 O ATOM 545 CB LYS A 36 -1.757 -13.158 -3.300 1.00 0.00 C ATOM 546 CG LYS A 36 -2.546 -12.910 -4.588 1.00 0.00 C ATOM 547 CD LYS A 36 -1.583 -12.504 -5.706 1.00 0.00 C ATOM 548 CE LYS A 36 -1.876 -13.331 -6.959 1.00 0.00 C ATOM 549 NZ LYS A 36 -2.946 -12.666 -7.753 1.00 0.00 N ATOM 0 H LYS A 36 -1.809 -12.097 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.359 -11.087 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.711 -13.356 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.142 -14.042 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.091 -13.810 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.286 -12.126 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.691 -11.442 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.552 -12.660 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.972 -13.433 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.188 -14.337 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.146 -13.228 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.809 -12.591 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.631 -11.715 -8.031 1.00 0.00 H new ATOM 563 N TYR A 37 -3.615 -10.388 -1.732 1.00 0.00 N ATOM 564 CA TYR A 37 -5.032 -9.987 -1.528 1.00 0.00 C ATOM 565 C TYR A 37 -5.618 -9.623 -2.894 1.00 0.00 C ATOM 566 O TYR A 37 -5.889 -10.485 -3.707 1.00 0.00 O ATOM 567 CB TYR A 37 -5.126 -8.788 -0.564 1.00 0.00 C ATOM 568 CG TYR A 37 -3.864 -7.937 -0.613 1.00 0.00 C ATOM 569 CD1 TYR A 37 -3.301 -7.548 -1.841 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.261 -7.528 0.585 1.00 0.00 C ATOM 571 CE1 TYR A 37 -2.146 -6.760 -1.866 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.105 -6.737 0.556 1.00 0.00 C ATOM 573 CZ TYR A 37 -1.549 -6.353 -0.670 1.00 0.00 C ATOM 574 OH TYR A 37 -0.413 -5.571 -0.703 1.00 0.00 O ATOM 0 H TYR A 37 -2.923 -9.671 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.593 -10.809 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.990 -8.176 -0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.285 -9.148 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.762 -7.858 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.688 -7.823 1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.715 -6.466 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.642 -6.423 1.480 1.00 0.00 H new ATOM 0 HH TYR A 37 0.314 -6.069 -1.131 1.00 0.00 H new ATOM 584 N GLY A 38 -5.778 -8.362 -3.175 1.00 0.00 N ATOM 585 CA GLY A 38 -6.302 -7.966 -4.511 1.00 0.00 C ATOM 586 C GLY A 38 -5.223 -8.298 -5.530 1.00 0.00 C ATOM 587 O GLY A 38 -4.141 -8.718 -5.174 1.00 0.00 O ATOM 0 H GLY A 38 -5.570 -7.591 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.224 -8.502 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.538 -6.902 -4.532 1.00 0.00 H new ATOM 591 N SER A 39 -5.481 -8.106 -6.787 1.00 0.00 N ATOM 592 CA SER A 39 -4.430 -8.406 -7.787 1.00 0.00 C ATOM 593 C SER A 39 -3.441 -7.247 -7.785 1.00 0.00 C ATOM 594 O SER A 39 -3.536 -6.356 -8.604 1.00 0.00 O ATOM 595 CB SER A 39 -5.055 -8.545 -9.175 1.00 0.00 C ATOM 596 OG SER A 39 -4.085 -9.063 -10.077 1.00 0.00 O ATOM 0 H SER A 39 -6.363 -7.758 -7.162 1.00 0.00 H new ATOM 0 HA SER A 39 -3.927 -9.341 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.919 -9.208 -9.133 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.413 -7.576 -9.524 1.00 0.00 H new ATOM 0 HG SER A 39 -4.483 -9.155 -10.968 1.00 0.00 H new ATOM 602 N ILE A 40 -2.512 -7.244 -6.849 1.00 0.00 N ATOM 603 CA ILE A 40 -1.518 -6.124 -6.770 1.00 0.00 C ATOM 604 C ILE A 40 -1.185 -5.672 -8.191 1.00 0.00 C ATOM 605 O ILE A 40 -0.403 -6.279 -8.896 1.00 0.00 O ATOM 606 CB ILE A 40 -0.246 -6.547 -6.002 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.249 -8.053 -5.711 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.194 -5.792 -4.678 1.00 0.00 C ATOM 609 CD1 ILE A 40 1.014 -8.424 -4.933 1.00 0.00 C ATOM 0 H ILE A 40 -2.402 -7.969 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.952 -5.293 -6.213 1.00 0.00 H new ATOM 0 HB ILE A 40 0.623 -6.313 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.135 -8.321 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.292 -8.615 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.701 -6.084 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.168 -4.720 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.078 -6.032 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.013 -9.494 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.894 -8.170 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.038 -7.873 -3.993 1.00 0.00 H new ATOM 621 N VAL A 41 -1.857 -4.635 -8.616 1.00 0.00 N ATOM 622 CA VAL A 41 -1.711 -4.102 -9.992 1.00 0.00 C ATOM 623 C VAL A 41 -0.443 -3.242 -10.126 1.00 0.00 C ATOM 624 O VAL A 41 -0.488 -2.159 -10.675 1.00 0.00 O ATOM 625 CB VAL A 41 -2.957 -3.253 -10.308 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.208 -4.138 -10.328 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.145 -2.197 -9.220 1.00 0.00 C ATOM 0 H VAL A 41 -2.524 -4.121 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.620 -4.931 -10.694 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.817 -2.782 -11.281 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.082 -3.527 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.097 -4.907 -11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.335 -4.610 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.027 -1.597 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.276 -2.688 -8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.267 -1.552 -9.183 1.00 0.00 H new ATOM 637 N GLN A 42 0.684 -3.737 -9.650 1.00 0.00 N ATOM 638 CA GLN A 42 1.985 -2.996 -9.766 1.00 0.00 C ATOM 639 C GLN A 42 2.301 -2.216 -8.487 1.00 0.00 C ATOM 640 O GLN A 42 1.848 -1.108 -8.298 1.00 0.00 O ATOM 641 CB GLN A 42 1.949 -2.024 -10.950 1.00 0.00 C ATOM 642 CG GLN A 42 3.377 -1.646 -11.348 1.00 0.00 C ATOM 643 CD GLN A 42 3.421 -0.168 -11.741 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.853 0.669 -11.069 1.00 0.00 O ATOM 645 NE2 GLN A 42 4.081 0.191 -12.810 1.00 0.00 N ATOM 0 H GLN A 42 0.754 -4.639 -9.179 1.00 0.00 H new ATOM 0 HA GLN A 42 2.766 -3.739 -9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.435 -2.483 -11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.387 -1.130 -10.682 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.059 -1.834 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.710 -2.265 -12.181 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.558 -0.512 -13.375 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.119 1.174 -13.080 1.00 0.00 H new ATOM 654 N LYS A 43 3.110 -2.776 -7.626 1.00 0.00 N ATOM 655 CA LYS A 43 3.496 -2.053 -6.378 1.00 0.00 C ATOM 656 C LYS A 43 4.789 -1.287 -6.664 1.00 0.00 C ATOM 657 O LYS A 43 5.721 -1.830 -7.222 1.00 0.00 O ATOM 658 CB LYS A 43 3.736 -3.059 -5.247 1.00 0.00 C ATOM 659 CG LYS A 43 4.816 -4.061 -5.668 1.00 0.00 C ATOM 660 CD LYS A 43 5.166 -4.971 -4.486 1.00 0.00 C ATOM 661 CE LYS A 43 3.928 -5.769 -4.067 1.00 0.00 C ATOM 662 NZ LYS A 43 3.516 -6.667 -5.182 1.00 0.00 N ATOM 0 H LYS A 43 3.520 -3.704 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 43 2.703 -1.370 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.044 -2.536 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.810 -3.584 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.463 -4.659 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.706 -3.530 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.972 -5.650 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.527 -4.374 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.145 -6.356 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.114 -5.091 -3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.641 -6.306 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.269 -6.698 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.350 -7.625 -4.813 1.00 0.00 H new ATOM 676 N ASN A 44 4.866 -0.033 -6.310 1.00 0.00 N ATOM 677 CA ASN A 44 6.116 0.728 -6.603 1.00 0.00 C ATOM 678 C ASN A 44 6.619 1.450 -5.350 1.00 0.00 C ATOM 679 O ASN A 44 5.890 1.661 -4.401 1.00 0.00 O ATOM 680 CB ASN A 44 5.843 1.749 -7.713 1.00 0.00 C ATOM 681 CG ASN A 44 5.133 2.977 -7.134 1.00 0.00 C ATOM 682 OD1 ASN A 44 5.771 3.928 -6.730 1.00 0.00 O ATOM 683 ND2 ASN A 44 3.830 2.997 -7.077 1.00 0.00 N ATOM 0 H ASN A 44 4.130 0.492 -5.838 1.00 0.00 H new ATOM 0 HA ASN A 44 6.884 0.026 -6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.781 2.048 -8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.228 1.297 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.349 3.810 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.292 2.199 -7.416 1.00 0.00 H new ATOM 690 N ILE A 45 7.866 1.837 -5.357 1.00 0.00 N ATOM 691 CA ILE A 45 8.440 2.559 -4.189 1.00 0.00 C ATOM 692 C ILE A 45 8.653 4.027 -4.584 1.00 0.00 C ATOM 693 O ILE A 45 8.552 4.388 -5.739 1.00 0.00 O ATOM 694 CB ILE A 45 9.770 1.884 -3.783 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.551 1.087 -2.495 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.875 2.923 -3.547 1.00 0.00 C ATOM 697 CD1 ILE A 45 10.606 -0.016 -2.389 1.00 0.00 C ATOM 0 H ILE A 45 8.515 1.682 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 45 7.766 2.521 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 45 10.084 1.228 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.614 1.748 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.552 0.651 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.797 2.416 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.041 3.492 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.573 3.600 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.449 -0.583 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.522 -0.683 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.600 0.431 -2.373 1.00 0.00 H new ATOM 709 N LEU A 46 8.942 4.872 -3.635 1.00 0.00 N ATOM 710 CA LEU A 46 9.152 6.312 -3.957 1.00 0.00 C ATOM 711 C LEU A 46 10.244 6.883 -3.050 1.00 0.00 C ATOM 712 O LEU A 46 10.104 6.921 -1.842 1.00 0.00 O ATOM 713 CB LEU A 46 7.849 7.078 -3.723 1.00 0.00 C ATOM 714 CG LEU A 46 7.353 7.674 -5.042 1.00 0.00 C ATOM 715 CD1 LEU A 46 8.328 8.752 -5.518 1.00 0.00 C ATOM 716 CD2 LEU A 46 7.259 6.573 -6.100 1.00 0.00 C ATOM 0 H LEU A 46 9.042 4.629 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 46 9.455 6.412 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.094 6.410 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.009 7.871 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 46 6.369 8.116 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.972 9.175 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.394 9.540 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.313 8.311 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.906 7.000 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.243 6.129 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.562 5.805 -5.765 1.00 0.00 H new ATOM 728 N ARG A 47 11.325 7.332 -3.623 1.00 0.00 N ATOM 729 CA ARG A 47 12.423 7.907 -2.800 1.00 0.00 C ATOM 730 C ARG A 47 12.276 9.429 -2.764 1.00 0.00 C ATOM 731 O ARG A 47 11.235 9.967 -3.088 1.00 0.00 O ATOM 732 CB ARG A 47 13.771 7.532 -3.420 1.00 0.00 C ATOM 733 CG ARG A 47 13.780 7.920 -4.900 1.00 0.00 C ATOM 734 CD ARG A 47 15.224 8.018 -5.393 1.00 0.00 C ATOM 735 NE ARG A 47 15.670 6.686 -5.894 1.00 0.00 N ATOM 736 CZ ARG A 47 15.422 6.335 -7.126 1.00 0.00 C ATOM 737 NH1 ARG A 47 16.131 6.831 -8.102 1.00 0.00 N ATOM 738 NH2 ARG A 47 14.466 5.484 -7.382 1.00 0.00 N ATOM 0 H ARG A 47 11.495 7.325 -4.629 1.00 0.00 H new ATOM 0 HA ARG A 47 12.372 7.512 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.579 8.042 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.947 6.462 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.235 7.179 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.271 8.874 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.299 8.761 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.874 8.350 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 47 16.169 6.049 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.880 7.494 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.936 6.556 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.913 5.094 -6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.272 5.209 -8.345 1.00 0.00 H new ATOM 888 N GLY A 56 10.531 8.321 2.779 1.00 0.00 N ATOM 889 CA GLY A 56 10.029 6.927 2.614 1.00 0.00 C ATOM 890 C GLY A 56 8.574 6.954 2.143 1.00 0.00 C ATOM 891 O GLY A 56 7.661 7.125 2.925 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.645 6.392 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.105 6.389 3.559 1.00 0.00 H new ATOM 895 N VAL A 57 8.352 6.784 0.868 1.00 0.00 N ATOM 896 CA VAL A 57 6.957 6.795 0.344 1.00 0.00 C ATOM 897 C VAL A 57 6.747 5.565 -0.542 1.00 0.00 C ATOM 898 O VAL A 57 7.646 5.129 -1.227 1.00 0.00 O ATOM 899 CB VAL A 57 6.735 8.067 -0.479 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.349 8.029 -1.126 1.00 0.00 C ATOM 901 CG2 VAL A 57 6.834 9.291 0.434 1.00 0.00 C ATOM 0 H VAL A 57 9.077 6.638 0.166 1.00 0.00 H new ATOM 0 HA VAL A 57 6.249 6.774 1.172 1.00 0.00 H new ATOM 0 HB VAL A 57 7.496 8.128 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.195 8.936 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.276 7.160 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.587 7.964 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.676 10.196 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.074 9.226 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.822 9.324 0.893 1.00 0.00 H new ATOM 911 N ALA A 58 5.569 5.000 -0.538 1.00 0.00 N ATOM 912 CA ALA A 58 5.317 3.801 -1.391 1.00 0.00 C ATOM 913 C ALA A 58 3.852 3.783 -1.828 1.00 0.00 C ATOM 914 O ALA A 58 3.055 4.596 -1.404 1.00 0.00 O ATOM 915 CB ALA A 58 5.621 2.523 -0.602 1.00 0.00 C ATOM 0 H ALA A 58 4.773 5.315 0.017 1.00 0.00 H new ATOM 0 HA ALA A 58 5.964 3.848 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.434 1.653 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.665 2.528 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.980 2.478 0.278 1.00 0.00 H new ATOM 921 N PHE A 59 3.490 2.852 -2.667 1.00 0.00 N ATOM 922 CA PHE A 59 2.078 2.769 -3.129 1.00 0.00 C ATOM 923 C PHE A 59 1.766 1.329 -3.546 1.00 0.00 C ATOM 924 O PHE A 59 2.214 0.865 -4.577 1.00 0.00 O ATOM 925 CB PHE A 59 1.870 3.695 -4.332 1.00 0.00 C ATOM 926 CG PHE A 59 2.380 5.081 -4.012 1.00 0.00 C ATOM 927 CD1 PHE A 59 3.744 5.369 -4.134 1.00 0.00 C ATOM 928 CD2 PHE A 59 1.487 6.079 -3.599 1.00 0.00 C ATOM 929 CE1 PHE A 59 4.216 6.656 -3.845 1.00 0.00 C ATOM 930 CE2 PHE A 59 1.960 7.366 -3.310 1.00 0.00 C ATOM 931 CZ PHE A 59 3.325 7.653 -3.431 1.00 0.00 C ATOM 0 H PHE A 59 4.114 2.144 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 59 1.416 3.073 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.393 3.298 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.812 3.738 -4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.432 4.600 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.435 5.856 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.268 6.879 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.272 8.136 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.691 8.644 -3.205 1.00 0.00 H new ATOM 941 N VAL A 60 0.992 0.622 -2.767 1.00 0.00 N ATOM 942 CA VAL A 60 0.648 -0.779 -3.145 1.00 0.00 C ATOM 943 C VAL A 60 -0.551 -0.720 -4.093 1.00 0.00 C ATOM 944 O VAL A 60 -1.673 -0.496 -3.688 1.00 0.00 O ATOM 945 CB VAL A 60 0.317 -1.594 -1.881 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.689 -2.710 -2.202 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.597 -2.234 -1.341 1.00 0.00 C ATOM 0 H VAL A 60 0.586 0.951 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 60 1.486 -1.269 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.117 -0.921 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.909 -3.273 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.609 -2.271 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.264 -3.379 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.365 -2.812 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.022 -2.893 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.317 -1.454 -1.093 1.00 0.00 H new ATOM 957 N ARG A 61 -0.318 -0.889 -5.357 1.00 0.00 N ATOM 958 CA ARG A 61 -1.438 -0.810 -6.324 1.00 0.00 C ATOM 959 C ARG A 61 -2.172 -2.152 -6.402 1.00 0.00 C ATOM 960 O ARG A 61 -1.577 -3.186 -6.621 1.00 0.00 O ATOM 961 CB ARG A 61 -0.881 -0.442 -7.700 1.00 0.00 C ATOM 962 CG ARG A 61 -0.085 0.861 -7.597 1.00 0.00 C ATOM 963 CD ARG A 61 -0.434 1.764 -8.781 1.00 0.00 C ATOM 964 NE ARG A 61 0.730 1.851 -9.709 1.00 0.00 N ATOM 965 CZ ARG A 61 0.576 2.366 -10.900 1.00 0.00 C ATOM 966 NH1 ARG A 61 -0.509 2.118 -11.581 1.00 0.00 N ATOM 967 NH2 ARG A 61 1.507 3.127 -11.408 1.00 0.00 N ATOM 0 H ARG A 61 0.598 -1.078 -5.763 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.146 -0.049 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.241 -1.243 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.696 -0.327 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.314 1.367 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.984 0.648 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.302 1.369 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.702 2.759 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 61 1.645 1.509 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.236 1.523 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.630 2.519 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.355 3.320 -10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.386 3.529 -12.338 1.00 0.00 H new ATOM 981 N TYR A 62 -3.471 -2.114 -6.256 1.00 0.00 N ATOM 982 CA TYR A 62 -4.314 -3.347 -6.363 1.00 0.00 C ATOM 983 C TYR A 62 -5.756 -2.906 -6.581 1.00 0.00 C ATOM 984 O TYR A 62 -6.049 -1.726 -6.557 1.00 0.00 O ATOM 985 CB TYR A 62 -4.180 -4.257 -5.129 1.00 0.00 C ATOM 986 CG TYR A 62 -4.508 -3.539 -3.843 1.00 0.00 C ATOM 987 CD1 TYR A 62 -4.914 -2.204 -3.841 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.390 -4.232 -2.638 1.00 0.00 C ATOM 989 CE1 TYR A 62 -5.198 -1.561 -2.629 1.00 0.00 C ATOM 990 CE2 TYR A 62 -4.677 -3.594 -1.433 1.00 0.00 C ATOM 991 CZ TYR A 62 -5.081 -2.257 -1.426 1.00 0.00 C ATOM 992 OH TYR A 62 -5.360 -1.626 -0.230 1.00 0.00 O ATOM 0 H TYR A 62 -3.996 -1.261 -6.063 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.972 -3.949 -7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.842 -5.115 -5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.162 -4.644 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.009 -1.667 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.076 -5.265 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.508 -0.526 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.587 -4.135 -0.502 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.831 -0.785 -0.406 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.665 -3.803 -6.831 1.00 0.00 N ATOM 1003 CA ASN A 63 -8.045 -3.333 -7.073 1.00 0.00 C ATOM 1004 C ASN A 63 -8.982 -3.769 -5.929 1.00 0.00 C ATOM 1005 O ASN A 63 -8.820 -3.335 -4.811 1.00 0.00 O ATOM 1006 CB ASN A 63 -8.550 -3.869 -8.406 1.00 0.00 C ATOM 1007 CG ASN A 63 -8.150 -5.337 -8.562 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -8.126 -6.078 -7.598 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -7.836 -5.795 -9.743 1.00 0.00 N ATOM 0 H ASN A 63 -6.516 -4.811 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.039 -2.244 -7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.634 -3.771 -8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.135 -3.281 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.571 -6.773 -9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.856 -5.175 -10.552 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.949 -4.624 -6.220 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.931 -5.125 -5.193 1.00 0.00 C ATOM 1018 C LYS A 64 -10.946 -4.256 -3.927 1.00 0.00 C ATOM 1019 O LYS A 64 -10.026 -4.279 -3.136 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.569 -6.561 -4.815 1.00 0.00 C ATOM 1021 CG LYS A 64 -11.409 -7.535 -5.646 1.00 0.00 C ATOM 1022 CD LYS A 64 -12.824 -7.615 -5.070 1.00 0.00 C ATOM 1023 CE LYS A 64 -13.633 -8.653 -5.852 1.00 0.00 C ATOM 1024 NZ LYS A 64 -15.059 -8.226 -5.914 1.00 0.00 N ATOM 0 H LYS A 64 -10.099 -5.004 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.926 -5.078 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.508 -6.738 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.748 -6.725 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.446 -7.204 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.948 -8.523 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.784 -7.888 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.308 -6.640 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.230 -8.760 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.555 -9.628 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.610 -8.931 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.439 -8.145 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.125 -7.304 -6.391 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.996 -3.502 -3.718 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.065 -2.648 -2.496 1.00 0.00 C ATOM 1040 C ARG A 65 -11.925 -3.526 -1.247 1.00 0.00 C ATOM 1041 O ARG A 65 -11.239 -3.176 -0.307 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.402 -1.900 -2.460 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.526 -2.821 -2.939 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.881 -2.487 -4.386 1.00 0.00 C ATOM 1045 NE ARG A 65 -16.346 -2.242 -4.494 1.00 0.00 N ATOM 1046 CZ ARG A 65 -17.055 -2.900 -5.369 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -16.890 -2.675 -6.644 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -17.925 -3.785 -4.969 1.00 0.00 N ATOM 0 H ARG A 65 -12.804 -3.442 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.252 -1.922 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.609 -1.556 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.351 -1.014 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.214 -3.863 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.403 -2.703 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.329 -1.606 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.589 -3.307 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.795 -1.559 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.207 -1.985 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.444 -3.189 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.051 -3.962 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.480 -4.300 -5.653 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.547 -4.675 -1.232 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.416 -5.565 -0.049 1.00 0.00 C ATOM 1064 C GLU A 66 -10.971 -6.051 0.012 1.00 0.00 C ATOM 1065 O GLU A 66 -10.369 -6.146 1.068 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.357 -6.764 -0.194 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.325 -7.598 1.088 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.728 -7.656 1.697 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.346 -6.610 1.813 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -15.160 -8.745 2.038 1.00 0.00 O ATOM 0 H GLU A 66 -13.136 -5.031 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.678 -5.027 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.372 -6.421 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.056 -7.375 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.970 -8.605 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.626 -7.161 1.801 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.401 -6.338 -1.124 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.990 -6.792 -1.149 1.00 0.00 C ATOM 1079 C GLU A 67 -8.124 -5.694 -0.538 1.00 0.00 C ATOM 1080 O GLU A 67 -7.116 -5.955 0.090 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.567 -7.062 -2.592 1.00 0.00 C ATOM 1082 CG GLU A 67 -9.194 -8.380 -3.059 1.00 0.00 C ATOM 1083 CD GLU A 67 -8.687 -9.528 -2.182 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -7.723 -9.318 -1.465 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -9.275 -10.596 -2.240 1.00 0.00 O ATOM 0 H GLU A 67 -10.854 -6.277 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.873 -7.713 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.887 -6.244 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.481 -7.117 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.281 -8.318 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.940 -8.566 -4.102 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.523 -4.460 -0.686 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.730 -3.370 -0.072 1.00 0.00 C ATOM 1094 C ALA A 68 -7.856 -3.524 1.437 1.00 0.00 C ATOM 1095 O ALA A 68 -6.907 -3.351 2.175 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.251 -2.000 -0.520 1.00 0.00 C ATOM 0 H ALA A 68 -9.354 -4.167 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.687 -3.432 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.654 -1.214 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.178 -1.920 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.292 -1.890 -0.218 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.020 -3.897 1.895 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.197 -4.113 3.351 1.00 0.00 C ATOM 1104 C GLN A 69 -8.115 -5.089 3.807 1.00 0.00 C ATOM 1105 O GLN A 69 -7.582 -4.983 4.894 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.581 -4.709 3.621 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.093 -4.210 4.973 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.563 -3.807 4.845 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.409 -4.632 4.561 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -12.904 -2.564 5.042 1.00 0.00 N ATOM 0 H GLN A 69 -9.849 -4.060 1.324 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.116 -3.170 3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.273 -4.423 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.527 -5.798 3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.983 -4.990 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.499 -3.359 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.194 -1.872 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.881 -2.284 4.958 1.00 0.00 H new ATOM 1119 N GLU A 70 -7.771 -6.034 2.968 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.701 -7.003 3.340 1.00 0.00 C ATOM 1121 C GLU A 70 -5.412 -6.228 3.561 1.00 0.00 C ATOM 1122 O GLU A 70 -4.764 -6.345 4.584 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.475 -8.006 2.205 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.158 -9.331 2.547 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.676 -9.148 2.508 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -9.148 -8.469 1.610 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.342 -9.689 3.375 1.00 0.00 O ATOM 0 H GLU A 70 -8.184 -6.174 2.046 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.997 -7.541 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.874 -7.610 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.407 -8.164 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.856 -10.102 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.847 -9.668 3.536 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.035 -5.428 2.603 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.787 -4.638 2.750 1.00 0.00 C ATOM 1136 C ALA A 71 -3.963 -3.603 3.863 1.00 0.00 C ATOM 1137 O ALA A 71 -3.033 -2.915 4.231 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.460 -3.932 1.440 1.00 0.00 C ATOM 0 H ALA A 71 -5.538 -5.289 1.727 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.968 -5.310 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.543 -3.355 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.325 -4.672 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.278 -3.263 1.173 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.139 -3.494 4.412 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.348 -2.522 5.517 1.00 0.00 C ATOM 1146 C ILE A 72 -4.924 -3.197 6.822 1.00 0.00 C ATOM 1147 O ILE A 72 -4.058 -2.727 7.526 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.827 -2.126 5.593 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -7.195 -1.281 4.369 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -7.079 -1.315 6.868 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.627 0.133 4.523 1.00 0.00 C ATOM 0 H ILE A 72 -5.962 -4.034 4.144 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.759 -1.621 5.345 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.440 -3.027 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.801 -1.744 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.279 -1.237 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.131 -1.035 6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.821 -1.917 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.464 -0.415 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.892 0.729 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.042 0.596 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.542 0.082 4.611 1.00 0.00 H new ATOM 1163 N SER A 73 -5.520 -4.314 7.139 1.00 0.00 N ATOM 1164 CA SER A 73 -5.149 -5.032 8.391 1.00 0.00 C ATOM 1165 C SER A 73 -3.859 -5.828 8.174 1.00 0.00 C ATOM 1166 O SER A 73 -3.386 -6.508 9.062 1.00 0.00 O ATOM 1167 CB SER A 73 -6.271 -5.996 8.773 1.00 0.00 C ATOM 1168 OG SER A 73 -5.811 -6.871 9.798 1.00 0.00 O ATOM 0 H SER A 73 -6.249 -4.761 6.584 1.00 0.00 H new ATOM 0 HA SER A 73 -4.996 -4.304 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.142 -5.440 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.584 -6.571 7.902 1.00 0.00 H new ATOM 0 HG SER A 73 -4.871 -6.677 9.996 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.287 -5.759 7.001 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.033 -6.525 6.746 1.00 0.00 C ATOM 1176 C ALA A 74 -0.953 -5.589 6.196 1.00 0.00 C ATOM 1177 O ALA A 74 0.192 -5.641 6.601 1.00 0.00 O ATOM 1178 CB ALA A 74 -2.313 -7.631 5.726 1.00 0.00 C ATOM 0 H ALA A 74 -3.631 -5.209 6.214 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.685 -6.965 7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.398 -8.193 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.077 -8.303 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.664 -7.187 4.795 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.307 -4.740 5.272 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.303 -3.803 4.685 1.00 0.00 C ATOM 1186 C LEU A 75 -0.250 -2.503 5.502 1.00 0.00 C ATOM 1187 O LEU A 75 0.763 -1.843 5.552 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.695 -3.480 3.237 1.00 0.00 C ATOM 1189 CG LEU A 75 0.395 -3.962 2.274 1.00 0.00 C ATOM 1190 CD1 LEU A 75 0.404 -5.488 2.240 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.108 -3.437 0.861 1.00 0.00 C ATOM 0 H LEU A 75 -2.251 -4.653 4.896 1.00 0.00 H new ATOM 0 HA LEU A 75 0.679 -4.275 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.643 -3.959 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.842 -2.406 3.123 1.00 0.00 H new ATOM 0 HG LEU A 75 1.361 -3.591 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.179 -5.832 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.606 -5.873 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.567 -5.850 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.886 -3.782 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.860 -3.808 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.094 -2.347 0.874 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.324 -2.111 6.140 1.00 0.00 N ATOM 1204 CA ASN A 76 -1.277 -0.843 6.927 1.00 0.00 C ATOM 1205 C ASN A 76 -0.006 -0.820 7.782 1.00 0.00 C ATOM 1206 O ASN A 76 0.524 0.224 8.107 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.506 -0.744 7.831 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.473 0.574 8.605 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -1.441 0.977 9.104 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.570 1.267 8.727 1.00 0.00 N ATOM 0 H ASN A 76 -2.217 -2.605 6.151 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.271 0.005 6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.415 -0.802 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.527 -1.584 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.562 2.148 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.436 0.929 8.308 1.00 0.00 H new ATOM 1217 N ASN A 77 0.480 -1.972 8.135 1.00 0.00 N ATOM 1218 CA ASN A 77 1.722 -2.059 8.963 1.00 0.00 C ATOM 1219 C ASN A 77 2.486 -3.336 8.597 1.00 0.00 C ATOM 1220 O ASN A 77 2.431 -4.322 9.304 1.00 0.00 O ATOM 1221 CB ASN A 77 1.379 -2.100 10.462 1.00 0.00 C ATOM 1222 CG ASN A 77 -0.137 -2.172 10.665 1.00 0.00 C ATOM 1223 OD1 ASN A 77 -0.818 -1.066 10.798 1.00 0.00 O flip ATOM 1224 ND2 ASN A 77 -0.707 -3.244 10.705 1.00 0.00 N flip ATOM 0 H ASN A 77 0.069 -2.871 7.885 1.00 0.00 H new ATOM 0 HA ASN A 77 2.332 -1.178 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.855 -2.964 10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.776 -1.213 10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.176 -4.108 10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.717 -3.280 10.842 1.00 0.00 H new ATOM 1231 N VAL A 78 3.204 -3.330 7.505 1.00 0.00 N ATOM 1232 CA VAL A 78 3.971 -4.550 7.112 1.00 0.00 C ATOM 1233 C VAL A 78 5.325 -4.538 7.826 1.00 0.00 C ATOM 1234 O VAL A 78 6.208 -3.770 7.498 1.00 0.00 O ATOM 1235 CB VAL A 78 4.149 -4.582 5.578 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.506 -5.187 5.196 1.00 0.00 C ATOM 1237 CG2 VAL A 78 3.035 -5.437 4.971 1.00 0.00 C ATOM 0 H VAL A 78 3.293 -2.537 6.870 1.00 0.00 H new ATOM 0 HA VAL A 78 3.428 -5.448 7.406 1.00 0.00 H new ATOM 0 HB VAL A 78 4.104 -3.561 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.607 -5.198 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.307 -4.587 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.570 -6.206 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.149 -5.468 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.094 -6.449 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.067 -5.004 5.222 1.00 0.00 H new ATOM 1247 N ILE A 79 5.487 -5.386 8.803 1.00 0.00 N ATOM 1248 CA ILE A 79 6.770 -5.435 9.552 1.00 0.00 C ATOM 1249 C ILE A 79 6.615 -6.416 10.724 1.00 0.00 C ATOM 1250 O ILE A 79 5.513 -6.786 11.076 1.00 0.00 O ATOM 1251 CB ILE A 79 7.116 -4.010 10.040 1.00 0.00 C ATOM 1252 CG1 ILE A 79 8.576 -3.705 9.710 1.00 0.00 C ATOM 1253 CG2 ILE A 79 6.898 -3.862 11.551 1.00 0.00 C ATOM 1254 CD1 ILE A 79 8.694 -2.273 9.184 1.00 0.00 C ATOM 0 H ILE A 79 4.780 -6.051 9.116 1.00 0.00 H new ATOM 0 HA ILE A 79 7.586 -5.784 8.919 1.00 0.00 H new ATOM 0 HB ILE A 79 6.455 -3.308 9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.194 -3.829 10.599 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.946 -4.409 8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.152 -2.847 11.858 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.853 -4.063 11.789 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.534 -4.571 12.081 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.736 -2.056 8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.089 -2.165 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 79 8.341 -1.576 9.944 1.00 0.00 H new ATOM 1266 N PRO A 80 7.725 -6.809 11.287 1.00 0.00 N ATOM 1267 CA PRO A 80 7.641 -7.757 12.420 1.00 0.00 C ATOM 1268 C PRO A 80 7.448 -7.001 13.738 1.00 0.00 C ATOM 1269 O PRO A 80 7.981 -7.378 14.762 1.00 0.00 O ATOM 1270 CB PRO A 80 8.983 -8.489 12.408 1.00 0.00 C ATOM 1271 CG PRO A 80 9.971 -7.566 11.671 1.00 0.00 C ATOM 1272 CD PRO A 80 9.121 -6.597 10.832 1.00 0.00 C ATOM 0 HA PRO A 80 6.797 -8.441 12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.324 -8.693 13.423 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.897 -9.450 11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.595 -7.021 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.641 -8.144 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.433 -5.564 10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.224 -6.804 9.767 1.00 0.00 H new ATOM 1280 N GLU A 81 6.684 -5.938 13.716 1.00 0.00 N ATOM 1281 CA GLU A 81 6.446 -5.152 14.960 1.00 0.00 C ATOM 1282 C GLU A 81 7.747 -5.049 15.755 1.00 0.00 C ATOM 1283 O GLU A 81 7.771 -5.226 16.957 1.00 0.00 O ATOM 1284 CB GLU A 81 5.386 -5.853 15.809 1.00 0.00 C ATOM 1285 CG GLU A 81 3.998 -5.341 15.424 1.00 0.00 C ATOM 1286 CD GLU A 81 2.970 -6.455 15.634 1.00 0.00 C ATOM 1287 OE1 GLU A 81 2.887 -7.324 14.783 1.00 0.00 O ATOM 1288 OE2 GLU A 81 2.286 -6.419 16.643 1.00 0.00 O ATOM 0 H GLU A 81 6.214 -5.581 12.884 1.00 0.00 H new ATOM 0 HA GLU A 81 6.100 -4.152 14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.441 -6.931 15.660 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.572 -5.668 16.867 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.738 -4.472 16.029 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.993 -5.018 14.383 1.00 0.00 H new ATOM 1295 N GLY A 82 8.831 -4.769 15.091 1.00 0.00 N ATOM 1296 CA GLY A 82 10.135 -4.658 15.803 1.00 0.00 C ATOM 1297 C GLY A 82 10.463 -3.183 16.033 1.00 0.00 C ATOM 1298 O GLY A 82 11.259 -2.838 16.884 1.00 0.00 O ATOM 0 H GLY A 82 8.872 -4.612 14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.088 -5.184 16.756 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.923 -5.130 15.217 1.00 0.00 H new ATOM 1302 N GLY A 83 9.852 -2.311 15.282 1.00 0.00 N ATOM 1303 CA GLY A 83 10.120 -0.856 15.456 1.00 0.00 C ATOM 1304 C GLY A 83 8.816 -0.079 15.283 1.00 0.00 C ATOM 1305 O GLY A 83 7.936 -0.134 16.118 1.00 0.00 O ATOM 0 H GLY A 83 9.177 -2.543 14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.541 -0.667 16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.857 -0.520 14.726 1.00 0.00 H new ATOM 1309 N SER A 84 8.681 0.638 14.201 1.00 0.00 N ATOM 1310 CA SER A 84 7.430 1.414 13.971 1.00 0.00 C ATOM 1311 C SER A 84 7.572 2.242 12.694 1.00 0.00 C ATOM 1312 O SER A 84 7.409 3.445 12.704 1.00 0.00 O ATOM 1313 CB SER A 84 7.180 2.351 15.154 1.00 0.00 C ATOM 1314 OG SER A 84 5.969 3.065 14.938 1.00 0.00 O ATOM 0 H SER A 84 9.384 0.720 13.466 1.00 0.00 H new ATOM 0 HA SER A 84 6.592 0.724 13.870 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.118 1.779 16.080 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.012 3.047 15.264 1.00 0.00 H new ATOM 0 HG SER A 84 6.075 3.665 14.170 1.00 0.00 H new ATOM 1320 N GLN A 85 7.873 1.610 11.592 1.00 0.00 N ATOM 1321 CA GLN A 85 8.019 2.375 10.324 1.00 0.00 C ATOM 1322 C GLN A 85 7.493 1.559 9.137 1.00 0.00 C ATOM 1323 O GLN A 85 7.999 1.681 8.039 1.00 0.00 O ATOM 1324 CB GLN A 85 9.494 2.716 10.094 1.00 0.00 C ATOM 1325 CG GLN A 85 10.372 1.506 10.431 1.00 0.00 C ATOM 1326 CD GLN A 85 11.722 1.994 10.960 1.00 0.00 C ATOM 1327 OE1 GLN A 85 11.862 2.275 12.134 1.00 0.00 O ATOM 1328 NE2 GLN A 85 12.728 2.110 10.138 1.00 0.00 N ATOM 0 H GLN A 85 8.023 0.604 11.516 1.00 0.00 H new ATOM 0 HA GLN A 85 7.437 3.293 10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.650 3.011 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.780 3.566 10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.880 0.882 11.177 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.517 0.889 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.611 1.874 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.632 2.436 10.481 1.00 0.00 H new ATOM 1337 N PRO A 86 6.483 0.763 9.381 1.00 0.00 N ATOM 1338 CA PRO A 86 5.935 -0.024 8.253 1.00 0.00 C ATOM 1339 C PRO A 86 5.259 0.920 7.265 1.00 0.00 C ATOM 1340 O PRO A 86 5.474 2.115 7.292 1.00 0.00 O ATOM 1341 CB PRO A 86 4.904 -0.947 8.888 1.00 0.00 C ATOM 1342 CG PRO A 86 4.478 -0.274 10.206 1.00 0.00 C ATOM 1343 CD PRO A 86 5.603 0.702 10.578 1.00 0.00 C ATOM 0 HA PRO A 86 6.701 -0.580 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.048 -1.087 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.327 -1.934 9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.531 0.253 10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.332 -1.016 10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.204 1.686 10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.152 0.354 11.453 1.00 0.00 H new ATOM 1351 N LEU A 87 4.428 0.407 6.403 1.00 0.00 N ATOM 1352 CA LEU A 87 3.740 1.313 5.443 1.00 0.00 C ATOM 1353 C LEU A 87 2.324 1.596 5.930 1.00 0.00 C ATOM 1354 O LEU A 87 1.482 0.720 5.959 1.00 0.00 O ATOM 1355 CB LEU A 87 3.641 0.707 4.033 1.00 0.00 C ATOM 1356 CG LEU A 87 4.119 -0.740 3.993 1.00 0.00 C ATOM 1357 CD1 LEU A 87 2.935 -1.670 4.247 1.00 0.00 C ATOM 1358 CD2 LEU A 87 4.679 -1.028 2.603 1.00 0.00 C ATOM 0 H LEU A 87 4.198 -0.583 6.321 1.00 0.00 H new ATOM 0 HA LEU A 87 4.334 2.226 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.607 0.756 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.235 1.303 3.341 1.00 0.00 H new ATOM 0 HG LEU A 87 4.883 -0.900 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.273 -2.706 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.507 -1.455 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.179 -1.515 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.026 -2.060 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.899 -0.874 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.513 -0.356 2.400 1.00 0.00 H new ATOM 1370 N SER A 88 2.038 2.819 6.274 1.00 0.00 N ATOM 1371 CA SER A 88 0.656 3.144 6.709 1.00 0.00 C ATOM 1372 C SER A 88 -0.176 3.273 5.437 1.00 0.00 C ATOM 1373 O SER A 88 0.088 4.106 4.592 1.00 0.00 O ATOM 1374 CB SER A 88 0.646 4.464 7.482 1.00 0.00 C ATOM 1375 OG SER A 88 -0.480 5.233 7.080 1.00 0.00 O ATOM 0 H SER A 88 2.695 3.600 6.273 1.00 0.00 H new ATOM 0 HA SER A 88 0.255 2.373 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.606 4.271 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.566 5.017 7.292 1.00 0.00 H new ATOM 0 HG SER A 88 -0.491 6.079 7.574 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.134 2.417 5.262 1.00 0.00 N ATOM 1382 CA VAL A 89 -1.931 2.447 4.006 1.00 0.00 C ATOM 1383 C VAL A 89 -3.209 3.273 4.158 1.00 0.00 C ATOM 1384 O VAL A 89 -3.576 3.697 5.234 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.290 1.014 3.633 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.008 0.183 3.543 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.204 0.425 4.708 1.00 0.00 C ATOM 0 H VAL A 89 -1.403 1.696 5.932 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.333 2.917 3.225 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.804 1.001 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.258 -0.844 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.353 0.606 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.499 0.194 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.463 -0.600 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.688 0.433 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.113 1.022 4.779 1.00 0.00 H new ATOM 1397 N ARG A 90 -3.878 3.495 3.055 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.138 4.290 3.056 1.00 0.00 C ATOM 1399 C ARG A 90 -5.476 4.648 1.602 1.00 0.00 C ATOM 1400 O ARG A 90 -4.728 5.339 0.938 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.935 5.569 3.878 1.00 0.00 C ATOM 1402 CG ARG A 90 -6.134 6.503 3.698 1.00 0.00 C ATOM 1403 CD ARG A 90 -5.694 7.944 3.956 1.00 0.00 C ATOM 1404 NE ARG A 90 -6.703 8.628 4.811 1.00 0.00 N ATOM 1405 CZ ARG A 90 -7.950 8.680 4.431 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -8.239 8.785 3.164 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -8.905 8.624 5.318 1.00 0.00 N ATOM 0 H ARG A 90 -3.596 3.151 2.137 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.953 3.717 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.814 5.318 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.021 6.072 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.535 6.408 2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.932 6.226 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.720 7.956 4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.583 8.476 3.011 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.420 9.055 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.491 8.826 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.213 8.826 2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.677 8.540 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.880 8.665 5.021 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.588 4.170 1.096 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.959 4.475 -0.320 1.00 0.00 C ATOM 1423 C LEU A 91 -6.661 5.945 -0.620 1.00 0.00 C ATOM 1424 O LEU A 91 -7.329 6.836 -0.134 1.00 0.00 O ATOM 1425 CB LEU A 91 -8.455 4.202 -0.536 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.643 2.867 -1.270 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -10.076 2.371 -1.076 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -8.385 3.048 -2.771 1.00 0.00 C ATOM 0 H LEU A 91 -7.252 3.584 1.602 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.377 3.840 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.971 4.175 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.901 5.011 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.937 2.143 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.207 1.423 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.271 2.230 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.773 3.106 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.521 2.094 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.085 3.779 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.365 3.399 -2.925 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.663 6.208 -1.418 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.328 7.621 -1.749 1.00 0.00 C ATOM 1442 C ALA A 92 -6.544 8.286 -2.392 1.00 0.00 C ATOM 1443 O ALA A 92 -7.666 7.860 -2.207 1.00 0.00 O ATOM 1444 CB ALA A 92 -4.154 7.650 -2.728 1.00 0.00 C ATOM 0 H ALA A 92 -5.066 5.506 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.054 8.157 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.908 8.684 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.289 7.169 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.427 7.118 -3.640 1.00 0.00 H new ATOM 1450 N GLU A 93 -6.335 9.327 -3.152 1.00 0.00 N ATOM 1451 CA GLU A 93 -7.485 10.009 -3.805 1.00 0.00 C ATOM 1452 C GLU A 93 -6.977 11.058 -4.796 1.00 0.00 C ATOM 1453 O GLU A 93 -6.620 12.155 -4.423 1.00 0.00 O ATOM 1454 CB GLU A 93 -8.347 10.690 -2.741 1.00 0.00 C ATOM 1455 CG GLU A 93 -9.823 10.428 -3.042 1.00 0.00 C ATOM 1456 CD GLU A 93 -10.157 8.969 -2.724 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -9.878 8.122 -3.557 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -10.685 8.723 -1.652 1.00 0.00 O ATOM 0 H GLU A 93 -5.420 9.732 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.080 9.269 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.093 10.309 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.151 11.762 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.450 11.093 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.035 10.641 -4.090 1.00 0.00 H new ATOM 1465 N GLU A 94 -6.956 10.725 -6.059 1.00 0.00 N ATOM 1466 CA GLU A 94 -6.486 11.694 -7.091 1.00 0.00 C ATOM 1467 C GLU A 94 -4.952 11.746 -7.104 1.00 0.00 C ATOM 1468 O GLU A 94 -4.358 12.519 -7.828 1.00 0.00 O ATOM 1469 CB GLU A 94 -7.090 13.085 -6.804 1.00 0.00 C ATOM 1470 CG GLU A 94 -6.079 14.005 -6.102 1.00 0.00 C ATOM 1471 CD GLU A 94 -6.820 14.945 -5.148 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -7.963 15.261 -5.429 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -6.230 15.330 -4.151 1.00 0.00 O ATOM 0 H GLU A 94 -7.246 9.817 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.818 11.370 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.412 13.543 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.978 12.976 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.351 13.410 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.524 14.583 -6.841 1.00 0.00 H new ATOM 1480 N HIS A 95 -4.309 10.933 -6.313 1.00 0.00 N ATOM 1481 CA HIS A 95 -2.818 10.948 -6.294 1.00 0.00 C ATOM 1482 C HIS A 95 -2.287 10.292 -7.571 1.00 0.00 C ATOM 1483 O HIS A 95 -3.036 9.759 -8.365 1.00 0.00 O ATOM 1484 CB HIS A 95 -2.312 10.184 -5.064 1.00 0.00 C ATOM 1485 CG HIS A 95 -2.409 8.699 -5.301 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -3.185 7.954 -6.153 1.00 0.00 N flip ATOM 1487 CD2 HIS A 95 -1.628 7.788 -4.606 1.00 0.00 C flip ATOM 1488 CE1 HIS A 95 -2.891 6.602 -5.994 1.00 0.00 C flip ATOM 1489 NE2 HIS A 95 -1.948 6.559 -5.049 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.747 10.262 -5.682 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.463 11.977 -6.244 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.279 10.460 -4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.899 10.460 -4.188 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -3.873 8.333 -6.804 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.896 8.023 -3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.331 5.768 -6.521 1.00 0.00 H new ATOM 1497 N GLY A 96 -0.998 10.324 -7.774 1.00 0.00 N ATOM 1498 CA GLY A 96 -0.425 9.698 -8.999 1.00 0.00 C ATOM 1499 C GLY A 96 -0.449 8.175 -8.859 1.00 0.00 C ATOM 1500 O GLY A 96 -0.444 7.642 -7.767 1.00 0.00 O ATOM 0 H GLY A 96 -0.319 10.755 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.997 10.001 -9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.598 10.043 -9.151 1.00 0.00 H new ATOM 1504 N LYS A 97 -0.480 7.469 -9.957 1.00 0.00 N ATOM 1505 CA LYS A 97 -0.507 5.977 -9.888 1.00 0.00 C ATOM 1506 C LYS A 97 0.015 5.397 -11.204 1.00 0.00 C ATOM 1507 O LYS A 97 1.117 5.752 -11.589 1.00 0.00 O ATOM 1508 CB LYS A 97 -1.943 5.490 -9.652 1.00 0.00 C ATOM 1509 CG LYS A 97 -2.942 6.556 -10.120 1.00 0.00 C ATOM 1510 CD LYS A 97 -4.189 5.877 -10.686 1.00 0.00 C ATOM 1511 CE LYS A 97 -5.045 6.913 -11.420 1.00 0.00 C ATOM 1512 NZ LYS A 97 -6.258 6.250 -11.978 1.00 0.00 N ATOM 1513 OXT LYS A 97 -0.698 4.613 -11.806 1.00 0.00 O ATOM 0 H LYS A 97 -0.488 7.860 -10.899 1.00 0.00 H new ATOM 0 HA LYS A 97 0.125 5.646 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.113 4.558 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.094 5.278 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.215 7.204 -9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.484 7.189 -10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.902 5.077 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.764 5.419 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.336 7.711 -10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.469 7.375 -12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.840 6.953 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.971 5.504 -12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.811 5.830 -11.204 1.00 0.00 H new