USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.48 K(o=-3.5,f=-6.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 45:sc= 0.0195 USER MOD Single : A 41 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 45 SER OG : rot 22:sc= 0.679 USER MOD Single : A 55 GLN : amide:sc= -2.08! K(o=-2.1!,f=-1) USER MOD Single : A 56 GLN : amide:sc= -3.39 K(o=-3.4,f=-5.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.9!) USER MOD Single : A 64 ASN : amide:sc= -0.926 K(o=-0.93,f=0) USER MOD Single : A 70 HIS : no HD1:sc=-0.00166 X(o=-0.0017,f=-0.008) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.953 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 82 SER OG : rot -157:sc= -1.05 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0394 USER MOD ----------------------------------------------------------------- ATOM 143 N GLY A 14 10.417 -1.697 10.621 1.00 0.00 N ATOM 144 CA GLY A 14 9.358 -1.094 9.832 1.00 0.00 C ATOM 145 C GLY A 14 8.102 -0.845 10.643 1.00 0.00 C ATOM 146 O GLY A 14 7.951 -1.375 11.743 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.711 -0.151 9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.120 -1.745 8.990 1.00 0.00 H new ATOM 150 N GLU A 15 7.199 -0.036 10.099 1.00 0.00 N ATOM 151 CA GLU A 15 5.950 0.284 10.781 1.00 0.00 C ATOM 152 C GLU A 15 4.788 0.334 9.793 1.00 0.00 C ATOM 153 O GLU A 15 4.990 0.432 8.583 1.00 0.00 O ATOM 154 CB GLU A 15 6.071 1.623 11.512 1.00 0.00 C ATOM 155 CG GLU A 15 6.469 2.777 10.608 1.00 0.00 C ATOM 156 CD GLU A 15 6.341 4.124 11.291 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.561 4.227 12.261 1.00 0.00 O ATOM 158 OE2 GLU A 15 7.022 5.076 10.855 1.00 0.00 O ATOM 0 H GLU A 15 7.309 0.410 9.188 1.00 0.00 H new ATOM 0 HA GLU A 15 5.751 -0.502 11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.117 1.856 11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.808 1.527 12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.499 2.637 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.844 2.766 9.715 1.00 0.00 H new ATOM 165 N LYS A 16 3.569 0.266 10.319 1.00 0.00 N ATOM 166 CA LYS A 16 2.373 0.305 9.486 1.00 0.00 C ATOM 167 C LYS A 16 2.099 1.722 8.993 1.00 0.00 C ATOM 168 O LYS A 16 1.820 2.623 9.785 1.00 0.00 O ATOM 169 CB LYS A 16 1.166 -0.217 10.268 1.00 0.00 C ATOM 170 CG LYS A 16 1.302 -1.666 10.703 1.00 0.00 C ATOM 171 CD LYS A 16 0.040 -2.164 11.386 1.00 0.00 C ATOM 172 CE LYS A 16 -1.043 -2.509 10.375 1.00 0.00 C ATOM 173 NZ LYS A 16 -2.009 -3.506 10.915 1.00 0.00 N ATOM 0 H LYS A 16 3.384 0.184 11.319 1.00 0.00 H new ATOM 0 HA LYS A 16 2.542 -0.335 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.019 0.406 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.273 -0.114 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.517 -2.289 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.148 -1.765 11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.273 -3.044 11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.330 -1.401 12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.577 -1.602 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.582 -2.904 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.731 -3.715 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.504 -4.381 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.468 -3.120 11.765 1.00 0.00 H new ATOM 187 N LEU A 17 2.179 1.912 7.680 1.00 0.00 N ATOM 188 CA LEU A 17 1.938 3.220 7.081 1.00 0.00 C ATOM 189 C LEU A 17 0.873 3.132 5.992 1.00 0.00 C ATOM 190 O LEU A 17 0.845 2.178 5.215 1.00 0.00 O ATOM 191 CB LEU A 17 3.235 3.782 6.497 1.00 0.00 C ATOM 192 CG LEU A 17 4.444 3.789 7.433 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.734 3.646 6.639 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.467 5.062 8.266 1.00 0.00 C ATOM 0 H LEU A 17 2.409 1.177 7.011 1.00 0.00 H new ATOM 0 HA LEU A 17 1.578 3.890 7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.491 3.203 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.049 4.805 6.168 1.00 0.00 H new ATOM 0 HG LEU A 17 4.361 2.938 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.584 3.653 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.719 2.706 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.824 4.476 5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.334 5.049 8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.526 5.928 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.557 5.122 8.863 1.00 0.00 H new ATOM 206 N GLN A 18 0.001 4.133 5.942 1.00 0.00 N ATOM 207 CA GLN A 18 -1.064 4.169 4.947 1.00 0.00 C ATOM 208 C GLN A 18 -0.890 5.355 4.005 1.00 0.00 C ATOM 209 O GLN A 18 -0.356 6.395 4.392 1.00 0.00 O ATOM 210 CB GLN A 18 -2.429 4.244 5.633 1.00 0.00 C ATOM 211 CG GLN A 18 -3.582 3.807 4.744 1.00 0.00 C ATOM 212 CD GLN A 18 -4.873 3.614 5.515 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.274 2.486 5.804 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.532 4.716 5.853 1.00 0.00 N ATOM 0 H GLN A 18 0.011 4.930 6.579 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.009 3.252 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.412 3.619 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.604 5.268 5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.737 4.552 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.318 2.874 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.163 5.631 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.407 4.648 6.373 1.00 0.00 H new ATOM 223 N ILE A 19 -1.343 5.193 2.766 1.00 0.00 N ATOM 224 CA ILE A 19 -1.237 6.251 1.769 1.00 0.00 C ATOM 225 C ILE A 19 -2.565 6.464 1.051 1.00 0.00 C ATOM 226 O ILE A 19 -3.168 5.519 0.542 1.00 0.00 O ATOM 227 CB ILE A 19 -0.147 5.935 0.727 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.205 5.738 1.415 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.065 7.049 -0.306 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.690 6.963 2.157 1.00 0.00 C ATOM 0 H ILE A 19 -1.787 4.339 2.429 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.965 7.162 2.302 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.411 5.009 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.129 4.906 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.947 5.459 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.709 6.812 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.025 7.146 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.179 7.988 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.654 6.750 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.798 7.793 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.968 7.231 2.929 1.00 0.00 H new ATOM 242 N THR A 20 -3.016 7.714 1.011 1.00 0.00 N ATOM 243 CA THR A 20 -4.272 8.053 0.354 1.00 0.00 C ATOM 244 C THR A 20 -4.027 8.646 -1.029 1.00 0.00 C ATOM 245 O THR A 20 -3.340 9.658 -1.168 1.00 0.00 O ATOM 246 CB THR A 20 -5.091 9.054 1.191 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.330 8.519 2.498 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.418 9.366 0.516 1.00 0.00 C ATOM 0 H THR A 20 -2.530 8.509 1.426 1.00 0.00 H new ATOM 0 HA THR A 20 -4.837 7.126 0.254 1.00 0.00 H new ATOM 0 HB THR A 20 -4.518 9.977 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.850 9.162 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.979 10.075 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.233 9.799 -0.467 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.995 8.448 0.405 1.00 0.00 H new ATOM 256 N ILE A 21 -4.593 8.009 -2.048 1.00 0.00 N ATOM 257 CA ILE A 21 -4.437 8.475 -3.421 1.00 0.00 C ATOM 258 C ILE A 21 -5.790 8.781 -4.055 1.00 0.00 C ATOM 259 O ILE A 21 -6.711 7.965 -4.000 1.00 0.00 O ATOM 260 CB ILE A 21 -3.699 7.438 -4.287 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.340 7.100 -3.671 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.529 7.958 -5.707 1.00 0.00 C ATOM 263 CD1 ILE A 21 -1.719 5.840 -4.231 1.00 0.00 C ATOM 0 H ILE A 21 -5.164 7.169 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.844 9.388 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.296 6.527 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.658 7.935 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.456 6.990 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.006 7.214 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.509 8.152 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.951 8.882 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.758 5.663 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.381 4.994 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.570 5.954 -5.305 1.00 0.00 H new ATOM 275 N ARG A 22 -5.902 9.960 -4.657 1.00 0.00 N ATOM 276 CA ARG A 22 -7.143 10.373 -5.302 1.00 0.00 C ATOM 277 C ARG A 22 -6.983 10.401 -6.820 1.00 0.00 C ATOM 278 O ARG A 22 -5.888 10.627 -7.334 1.00 0.00 O ATOM 279 CB ARG A 22 -7.570 11.753 -4.799 1.00 0.00 C ATOM 280 CG ARG A 22 -6.487 12.811 -4.931 1.00 0.00 C ATOM 281 CD ARG A 22 -7.018 14.196 -4.595 1.00 0.00 C ATOM 282 NE ARG A 22 -5.941 15.146 -4.330 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.090 16.238 -3.588 1.00 0.00 C ATOM 284 NH1 ARG A 22 -7.265 16.515 -3.039 1.00 0.00 N ATOM 285 NH2 ARG A 22 -5.062 17.054 -3.393 1.00 0.00 N ATOM 0 H ARG A 22 -5.149 10.646 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.915 9.646 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.451 12.076 -5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.863 11.674 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.656 12.568 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.095 12.807 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.628 14.561 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.668 14.133 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.024 14.961 -4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.057 15.889 -3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.377 17.354 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.157 16.843 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.177 17.892 -2.823 1.00 0.00 H new ATOM 299 N ARG A 23 -8.082 10.169 -7.530 1.00 0.00 N ATOM 300 CA ARG A 23 -8.064 10.165 -8.987 1.00 0.00 C ATOM 301 C ARG A 23 -7.950 11.586 -9.533 1.00 0.00 C ATOM 302 O ARG A 23 -8.955 12.268 -9.731 1.00 0.00 O ATOM 303 CB ARG A 23 -9.327 9.497 -9.533 1.00 0.00 C ATOM 304 CG ARG A 23 -9.456 9.582 -11.045 1.00 0.00 C ATOM 305 CD ARG A 23 -10.542 8.652 -11.565 1.00 0.00 C ATOM 306 NE ARG A 23 -10.278 8.213 -12.932 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.631 8.908 -14.008 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.258 10.068 -13.876 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.356 8.442 -15.220 1.00 0.00 N ATOM 0 H ARG A 23 -8.997 9.981 -7.119 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.192 9.598 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.331 8.449 -9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.200 9.962 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.684 10.608 -11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.503 9.325 -11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.617 7.782 -10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.505 9.162 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.796 7.324 -13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.471 10.430 -12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.528 10.599 -14.704 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.873 7.550 -15.326 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.627 8.976 -16.045 1.00 0.00 H new ATOM 371 N PHE A 28 -5.229 6.532 -10.826 1.00 0.00 N ATOM 372 CA PHE A 28 -4.774 6.820 -9.470 1.00 0.00 C ATOM 373 C PHE A 28 -3.330 7.314 -9.474 1.00 0.00 C ATOM 374 O PHE A 28 -2.976 8.238 -8.743 1.00 0.00 O ATOM 375 CB PHE A 28 -4.896 5.573 -8.593 1.00 0.00 C ATOM 376 CG PHE A 28 -6.316 5.196 -8.280 1.00 0.00 C ATOM 377 CD1 PHE A 28 -7.118 6.035 -7.523 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.848 4.004 -8.744 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.425 5.690 -7.234 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.155 3.654 -8.458 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.944 4.499 -7.702 1.00 0.00 C ATOM 0 HA PHE A 28 -5.407 7.607 -9.060 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.409 4.737 -9.095 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.359 5.741 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.718 6.968 -7.155 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.235 3.340 -9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.040 6.352 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.558 2.722 -8.825 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.965 4.229 -7.477 1.00 0.00 H new ATOM 391 N GLY A 29 -2.500 6.690 -10.305 1.00 0.00 N ATOM 392 CA GLY A 29 -1.104 7.079 -10.389 1.00 0.00 C ATOM 393 C GLY A 29 -0.169 5.990 -9.902 1.00 0.00 C ATOM 394 O GLY A 29 1.027 6.222 -9.723 1.00 0.00 O ATOM 0 H GLY A 29 -2.769 5.923 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.861 7.327 -11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.945 7.981 -9.798 1.00 0.00 H new ATOM 398 N PHE A 30 -0.714 4.797 -9.685 1.00 0.00 N ATOM 399 CA PHE A 30 0.079 3.669 -9.213 1.00 0.00 C ATOM 400 C PHE A 30 -0.511 2.348 -9.697 1.00 0.00 C ATOM 401 O PHE A 30 -1.730 2.188 -9.770 1.00 0.00 O ATOM 402 CB PHE A 30 0.156 3.676 -7.685 1.00 0.00 C ATOM 403 CG PHE A 30 -1.101 3.194 -7.019 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.283 3.907 -7.142 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.102 2.028 -6.271 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.441 3.466 -6.530 1.00 0.00 C ATOM 407 CE2 PHE A 30 -2.257 1.582 -5.657 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.428 2.301 -5.788 1.00 0.00 C ATOM 0 H PHE A 30 -1.702 4.587 -9.829 1.00 0.00 H new ATOM 0 HA PHE A 30 1.085 3.769 -9.621 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.989 3.048 -7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.373 4.689 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.299 4.817 -7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.189 1.461 -6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.355 4.032 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.243 0.672 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.332 1.953 -5.311 1.00 0.00 H new ATOM 418 N THR A 31 0.362 1.402 -10.030 1.00 0.00 N ATOM 419 CA THR A 31 -0.071 0.096 -10.509 1.00 0.00 C ATOM 420 C THR A 31 0.315 -1.006 -9.529 1.00 0.00 C ATOM 421 O THR A 31 1.426 -1.017 -9.000 1.00 0.00 O ATOM 422 CB THR A 31 0.534 -0.225 -11.889 1.00 0.00 C ATOM 423 OG1 THR A 31 0.408 0.908 -12.755 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.155 -1.428 -12.515 1.00 0.00 C ATOM 0 H THR A 31 1.374 1.517 -9.976 1.00 0.00 H new ATOM 0 HA THR A 31 -1.157 0.136 -10.596 1.00 0.00 H new ATOM 0 HB THR A 31 1.589 -0.461 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.797 0.696 -13.629 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.289 -1.636 -13.489 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.031 -2.296 -11.867 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.217 -1.216 -12.638 1.00 0.00 H new ATOM 432 N ILE A 32 -0.609 -1.930 -9.291 1.00 0.00 N ATOM 433 CA ILE A 32 -0.364 -3.037 -8.376 1.00 0.00 C ATOM 434 C ILE A 32 -1.054 -4.310 -8.854 1.00 0.00 C ATOM 435 O ILE A 32 -2.253 -4.310 -9.137 1.00 0.00 O ATOM 436 CB ILE A 32 -0.850 -2.708 -6.952 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.298 -2.216 -6.985 1.00 0.00 C ATOM 438 CG2 ILE A 32 0.055 -1.666 -6.311 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.082 -2.560 -5.738 1.00 0.00 C ATOM 0 H ILE A 32 -1.535 -1.934 -9.719 1.00 0.00 H new ATOM 0 HA ILE A 32 0.714 -3.197 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.808 -3.616 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.303 -1.134 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.800 -2.648 -7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.301 -1.444 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.073 -2.051 -6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.042 -0.755 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.099 -2.180 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.109 -3.642 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.604 -2.106 -4.870 1.00 0.00 H new ATOM 451 N CYS A 33 -0.290 -5.393 -8.942 1.00 0.00 N ATOM 452 CA CYS A 33 -0.828 -6.674 -9.385 1.00 0.00 C ATOM 453 C CYS A 33 -0.029 -7.833 -8.797 1.00 0.00 C ATOM 454 O CYS A 33 1.182 -7.931 -8.999 1.00 0.00 O ATOM 455 CB CYS A 33 -0.815 -6.755 -10.913 1.00 0.00 C ATOM 456 SG CYS A 33 -1.585 -8.249 -11.579 1.00 0.00 S ATOM 0 H CYS A 33 0.704 -5.410 -8.712 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.856 -6.749 -9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.329 -5.883 -11.317 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.217 -6.705 -11.260 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.527 -8.225 -12.877 1.00 0.00 H new ATOM 462 N CYS A 34 -0.713 -8.706 -8.067 1.00 0.00 N ATOM 463 CA CYS A 34 -0.067 -9.857 -7.446 1.00 0.00 C ATOM 464 C CYS A 34 -1.086 -10.723 -6.712 1.00 0.00 C ATOM 465 O CYS A 34 -2.089 -10.222 -6.202 1.00 0.00 O ATOM 466 CB CYS A 34 1.020 -9.395 -6.475 1.00 0.00 C ATOM 467 SG CYS A 34 2.358 -10.588 -6.242 1.00 0.00 S ATOM 0 H CYS A 34 -1.715 -8.639 -7.890 1.00 0.00 H new ATOM 0 HA CYS A 34 0.390 -10.455 -8.235 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.442 -8.458 -6.838 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.563 -9.185 -5.508 1.00 0.00 H new ATOM 0 HG CYS A 34 3.229 -10.106 -5.406 1.00 0.00 H new ATOM 473 N ASP A 35 -0.824 -12.024 -6.665 1.00 0.00 N ATOM 474 CA ASP A 35 -1.719 -12.961 -5.995 1.00 0.00 C ATOM 475 C ASP A 35 -1.504 -12.931 -4.485 1.00 0.00 C ATOM 476 O ASP A 35 -0.370 -12.986 -4.008 1.00 0.00 O ATOM 477 CB ASP A 35 -1.500 -14.378 -6.527 1.00 0.00 C ATOM 478 CG ASP A 35 -0.058 -14.632 -6.920 1.00 0.00 C ATOM 479 OD1 ASP A 35 0.784 -14.805 -6.013 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.229 -14.659 -8.135 1.00 0.00 O ATOM 0 H ASP A 35 0.001 -12.454 -7.083 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.745 -12.659 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.799 -15.099 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.143 -14.542 -7.391 1.00 0.00 H new ATOM 485 N SER A 36 -2.599 -12.844 -3.738 1.00 0.00 N ATOM 486 CA SER A 36 -2.530 -12.802 -2.282 1.00 0.00 C ATOM 487 C SER A 36 -1.353 -13.627 -1.770 1.00 0.00 C ATOM 488 O SER A 36 -1.218 -14.814 -2.067 1.00 0.00 O ATOM 489 CB SER A 36 -3.834 -13.322 -1.673 1.00 0.00 C ATOM 490 OG SER A 36 -4.264 -14.506 -2.323 1.00 0.00 O ATOM 0 H SER A 36 -3.545 -12.801 -4.117 1.00 0.00 H new ATOM 0 HA SER A 36 -2.384 -11.765 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.690 -13.518 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.607 -12.558 -1.754 1.00 0.00 H new ATOM 0 HG SER A 36 -3.499 -15.106 -2.449 1.00 0.00 H new ATOM 496 N PRO A 37 -0.480 -12.983 -0.981 1.00 0.00 N ATOM 497 CA PRO A 37 -0.630 -11.570 -0.621 1.00 0.00 C ATOM 498 C PRO A 37 -0.393 -10.642 -1.807 1.00 0.00 C ATOM 499 O PRO A 37 0.393 -10.950 -2.703 1.00 0.00 O ATOM 500 CB PRO A 37 0.447 -11.360 0.446 1.00 0.00 C ATOM 501 CG PRO A 37 1.474 -12.400 0.159 1.00 0.00 C ATOM 502 CD PRO A 37 0.722 -13.585 -0.381 1.00 0.00 C ATOM 0 HA PRO A 37 -1.639 -11.341 -0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.872 -10.358 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.037 -11.475 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.204 -12.038 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.024 -12.665 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.309 -14.131 -1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.466 -14.292 0.408 1.00 0.00 H new ATOM 510 N VAL A 38 -1.078 -9.502 -1.807 1.00 0.00 N ATOM 511 CA VAL A 38 -0.941 -8.527 -2.882 1.00 0.00 C ATOM 512 C VAL A 38 0.303 -7.667 -2.689 1.00 0.00 C ATOM 513 O VAL A 38 0.703 -7.381 -1.560 1.00 0.00 O ATOM 514 CB VAL A 38 -2.176 -7.612 -2.971 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.942 -6.495 -3.976 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.412 -8.419 -3.337 1.00 0.00 C ATOM 0 H VAL A 38 -1.734 -9.232 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.849 -9.091 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.342 -7.160 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.826 -5.859 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.083 -5.900 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.749 -6.925 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.275 -7.756 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.259 -8.901 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.589 -9.179 -2.576 1.00 0.00 H new ATOM 526 N ARG A 39 0.910 -7.257 -3.797 1.00 0.00 N ATOM 527 CA ARG A 39 2.109 -6.429 -3.750 1.00 0.00 C ATOM 528 C ARG A 39 2.027 -5.293 -4.766 1.00 0.00 C ATOM 529 O ARG A 39 1.134 -5.268 -5.614 1.00 0.00 O ATOM 530 CB ARG A 39 3.352 -7.279 -4.019 1.00 0.00 C ATOM 531 CG ARG A 39 4.633 -6.677 -3.466 1.00 0.00 C ATOM 532 CD ARG A 39 5.656 -7.752 -3.133 1.00 0.00 C ATOM 533 NE ARG A 39 5.373 -8.399 -1.854 1.00 0.00 N ATOM 534 CZ ARG A 39 5.736 -9.643 -1.564 1.00 0.00 C ATOM 535 NH1 ARG A 39 6.393 -10.371 -2.456 1.00 0.00 N ATOM 536 NH2 ARG A 39 5.443 -10.162 -0.378 1.00 0.00 N ATOM 0 H ARG A 39 0.591 -7.485 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 39 2.182 -5.996 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.207 -8.267 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.461 -7.418 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.055 -5.985 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.407 -6.098 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.665 -8.502 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.651 -7.309 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 39 4.869 -7.866 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.621 -9.976 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.670 -11.326 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.938 -9.605 0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.722 -11.118 -0.156 1.00 0.00 H new ATOM 550 N VAL A 40 2.963 -4.354 -4.674 1.00 0.00 N ATOM 551 CA VAL A 40 2.997 -3.216 -5.585 1.00 0.00 C ATOM 552 C VAL A 40 3.835 -3.526 -6.820 1.00 0.00 C ATOM 553 O VAL A 40 4.885 -4.162 -6.725 1.00 0.00 O ATOM 554 CB VAL A 40 3.563 -1.961 -4.894 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.586 -0.786 -5.859 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.753 -1.626 -3.651 1.00 0.00 C ATOM 0 H VAL A 40 3.708 -4.359 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 40 1.968 -3.021 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 40 4.588 -2.167 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.989 0.092 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.213 -1.031 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.572 -0.575 -6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.167 -0.737 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.717 -1.438 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.794 -2.463 -2.954 1.00 0.00 H new ATOM 566 N GLN A 41 3.366 -3.070 -7.977 1.00 0.00 N ATOM 567 CA GLN A 41 4.073 -3.299 -9.231 1.00 0.00 C ATOM 568 C GLN A 41 5.067 -2.177 -9.508 1.00 0.00 C ATOM 569 O GLN A 41 6.269 -2.414 -9.624 1.00 0.00 O ATOM 570 CB GLN A 41 3.079 -3.413 -10.388 1.00 0.00 C ATOM 571 CG GLN A 41 3.737 -3.678 -11.732 1.00 0.00 C ATOM 572 CD GLN A 41 2.729 -3.909 -12.841 1.00 0.00 C ATOM 573 OE1 GLN A 41 2.763 -3.243 -13.875 1.00 0.00 O ATOM 574 NE2 GLN A 41 1.825 -4.858 -12.630 1.00 0.00 N ATOM 0 H GLN A 41 2.500 -2.540 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 41 4.625 -4.235 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.375 -4.217 -10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.501 -2.491 -10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.372 -2.832 -11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.386 -4.550 -11.649 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.834 -5.386 -11.757 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.121 -5.059 -13.341 1.00 0.00 H new ATOM 583 N ALA A 42 4.558 -0.954 -9.612 1.00 0.00 N ATOM 584 CA ALA A 42 5.401 0.206 -9.874 1.00 0.00 C ATOM 585 C ALA A 42 4.655 1.504 -9.586 1.00 0.00 C ATOM 586 O ALA A 42 3.431 1.512 -9.456 1.00 0.00 O ATOM 587 CB ALA A 42 5.894 0.186 -11.313 1.00 0.00 C ATOM 0 H ALA A 42 3.565 -0.741 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 42 6.261 0.157 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.522 1.058 -11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.473 -0.721 -11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.040 0.207 -11.990 1.00 0.00 H new ATOM 593 N VAL A 43 5.400 2.600 -9.487 1.00 0.00 N ATOM 594 CA VAL A 43 4.809 3.905 -9.214 1.00 0.00 C ATOM 595 C VAL A 43 5.031 4.863 -10.379 1.00 0.00 C ATOM 596 O VAL A 43 6.078 4.838 -11.026 1.00 0.00 O ATOM 597 CB VAL A 43 5.392 4.529 -7.932 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.673 5.827 -7.596 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.305 3.546 -6.775 1.00 0.00 C ATOM 0 H VAL A 43 6.415 2.610 -9.592 1.00 0.00 H new ATOM 0 HA VAL A 43 3.739 3.745 -9.077 1.00 0.00 H new ATOM 0 HB VAL A 43 6.443 4.759 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.098 6.254 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.792 6.532 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.613 5.626 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.721 4.003 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.262 3.283 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.869 2.646 -7.019 1.00 0.00 H new ATOM 609 N ASP A 44 4.039 5.707 -10.641 1.00 0.00 N ATOM 610 CA ASP A 44 4.125 6.675 -11.728 1.00 0.00 C ATOM 611 C ASP A 44 4.946 7.891 -11.308 1.00 0.00 C ATOM 612 O ASP A 44 4.805 8.391 -10.192 1.00 0.00 O ATOM 613 CB ASP A 44 2.726 7.114 -12.162 1.00 0.00 C ATOM 614 CG ASP A 44 1.930 5.982 -12.781 1.00 0.00 C ATOM 615 OD1 ASP A 44 2.555 5.027 -13.289 1.00 0.00 O ATOM 616 OD2 ASP A 44 0.683 6.051 -12.759 1.00 0.00 O ATOM 0 H ASP A 44 3.166 5.740 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 44 4.623 6.195 -12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.187 7.504 -11.299 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.811 7.930 -12.880 1.00 0.00 H new ATOM 621 N SER A 45 5.803 8.360 -12.209 1.00 0.00 N ATOM 622 CA SER A 45 6.649 9.514 -11.930 1.00 0.00 C ATOM 623 C SER A 45 5.890 10.816 -12.170 1.00 0.00 C ATOM 624 O SER A 45 5.450 11.095 -13.285 1.00 0.00 O ATOM 625 CB SER A 45 7.905 9.475 -12.804 1.00 0.00 C ATOM 626 OG SER A 45 7.585 9.689 -14.167 1.00 0.00 O ATOM 0 H SER A 45 5.930 7.959 -13.138 1.00 0.00 H new ATOM 0 HA SER A 45 6.942 9.473 -10.881 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.609 10.237 -12.469 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.401 8.511 -12.691 1.00 0.00 H new ATOM 0 HG SER A 45 6.726 10.157 -14.232 1.00 0.00 H new ATOM 632 N GLY A 46 5.740 11.609 -11.114 1.00 0.00 N ATOM 633 CA GLY A 46 5.034 12.872 -11.229 1.00 0.00 C ATOM 634 C GLY A 46 3.538 12.719 -11.034 1.00 0.00 C ATOM 635 O GLY A 46 2.746 13.326 -11.754 1.00 0.00 O ATOM 0 H GLY A 46 6.095 11.400 -10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.424 13.572 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.227 13.305 -12.211 1.00 0.00 H new ATOM 639 N GLY A 47 3.150 11.904 -10.058 1.00 0.00 N ATOM 640 CA GLY A 47 1.740 11.687 -9.790 1.00 0.00 C ATOM 641 C GLY A 47 1.407 11.798 -8.315 1.00 0.00 C ATOM 642 O GLY A 47 2.286 11.960 -7.469 1.00 0.00 O ATOM 0 H GLY A 47 3.786 11.390 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.151 12.415 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.452 10.700 -10.151 1.00 0.00 H new ATOM 646 N PRO A 48 0.109 11.711 -7.990 1.00 0.00 N ATOM 647 CA PRO A 48 -0.369 11.801 -6.606 1.00 0.00 C ATOM 648 C PRO A 48 0.022 10.581 -5.778 1.00 0.00 C ATOM 649 O PRO A 48 -0.003 10.621 -4.548 1.00 0.00 O ATOM 650 CB PRO A 48 -1.890 11.878 -6.760 1.00 0.00 C ATOM 651 CG PRO A 48 -2.173 11.215 -8.064 1.00 0.00 C ATOM 652 CD PRO A 48 -0.993 11.517 -8.947 1.00 0.00 C ATOM 0 HA PRO A 48 0.063 12.652 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.397 11.370 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.236 12.912 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.299 10.140 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.096 11.595 -8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.787 10.698 -9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.161 12.408 -9.552 1.00 0.00 H new ATOM 660 N ALA A 49 0.382 9.499 -6.460 1.00 0.00 N ATOM 661 CA ALA A 49 0.780 8.269 -5.786 1.00 0.00 C ATOM 662 C ALA A 49 2.167 8.406 -5.168 1.00 0.00 C ATOM 663 O ALA A 49 2.381 8.034 -4.015 1.00 0.00 O ATOM 664 CB ALA A 49 0.747 7.100 -6.760 1.00 0.00 C ATOM 0 H ALA A 49 0.406 9.449 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 49 0.070 8.078 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.046 6.188 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.263 6.981 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.434 7.293 -7.584 1.00 0.00 H new ATOM 670 N GLU A 50 3.105 8.941 -5.943 1.00 0.00 N ATOM 671 CA GLU A 50 4.472 9.125 -5.470 1.00 0.00 C ATOM 672 C GLU A 50 4.533 10.194 -4.383 1.00 0.00 C ATOM 673 O GLU A 50 4.980 9.934 -3.266 1.00 0.00 O ATOM 674 CB GLU A 50 5.390 9.510 -6.631 1.00 0.00 C ATOM 675 CG GLU A 50 6.867 9.315 -6.331 1.00 0.00 C ATOM 676 CD GLU A 50 7.763 9.882 -7.416 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.350 10.856 -8.078 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.877 9.349 -7.602 1.00 0.00 O ATOM 0 H GLU A 50 2.944 9.254 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 50 4.812 8.180 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.124 8.916 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.215 10.554 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.107 9.792 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.073 8.251 -6.214 1.00 0.00 H new ATOM 685 N ARG A 51 4.080 11.397 -4.719 1.00 0.00 N ATOM 686 CA ARG A 51 4.084 12.507 -3.773 1.00 0.00 C ATOM 687 C ARG A 51 3.416 12.106 -2.462 1.00 0.00 C ATOM 688 O ARG A 51 3.950 12.353 -1.381 1.00 0.00 O ATOM 689 CB ARG A 51 3.368 13.719 -4.373 1.00 0.00 C ATOM 690 CG ARG A 51 4.111 14.350 -5.539 1.00 0.00 C ATOM 691 CD ARG A 51 3.652 15.778 -5.785 1.00 0.00 C ATOM 692 NE ARG A 51 4.255 16.717 -4.843 1.00 0.00 N ATOM 693 CZ ARG A 51 4.043 18.028 -4.874 1.00 0.00 C ATOM 694 NH1 ARG A 51 3.246 18.552 -5.795 1.00 0.00 N ATOM 695 NH2 ARG A 51 4.627 18.817 -3.982 1.00 0.00 N ATOM 0 H ARG A 51 3.705 11.628 -5.639 1.00 0.00 H new ATOM 0 HA ARG A 51 5.121 12.772 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.376 13.415 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.227 14.469 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.182 14.341 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.951 13.755 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.909 16.071 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.566 15.829 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 51 4.873 16.346 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.794 17.948 -6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.085 19.559 -5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.240 18.417 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.463 19.823 -4.007 1.00 0.00 H new ATOM 709 N ALA A 52 2.244 11.487 -2.565 1.00 0.00 N ATOM 710 CA ALA A 52 1.504 11.050 -1.388 1.00 0.00 C ATOM 711 C ALA A 52 2.406 10.288 -0.423 1.00 0.00 C ATOM 712 O ALA A 52 2.353 10.497 0.788 1.00 0.00 O ATOM 713 CB ALA A 52 0.320 10.187 -1.799 1.00 0.00 C ATOM 0 H ALA A 52 1.787 11.277 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 52 1.133 11.936 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.224 9.868 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.344 10.763 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.679 9.311 -2.339 1.00 0.00 H new ATOM 719 N GLY A 53 3.235 9.403 -0.969 1.00 0.00 N ATOM 720 CA GLY A 53 4.137 8.623 -0.142 1.00 0.00 C ATOM 721 C GLY A 53 4.042 7.136 -0.423 1.00 0.00 C ATOM 722 O GLY A 53 4.145 6.316 0.490 1.00 0.00 O ATOM 0 H GLY A 53 3.298 9.213 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.161 8.957 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.912 8.806 0.909 1.00 0.00 H new ATOM 726 N LEU A 54 3.844 6.787 -1.690 1.00 0.00 N ATOM 727 CA LEU A 54 3.734 5.389 -2.089 1.00 0.00 C ATOM 728 C LEU A 54 5.053 4.880 -2.662 1.00 0.00 C ATOM 729 O LEU A 54 5.662 5.529 -3.512 1.00 0.00 O ATOM 730 CB LEU A 54 2.618 5.219 -3.122 1.00 0.00 C ATOM 731 CG LEU A 54 2.032 3.813 -3.253 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.571 3.880 -3.668 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.835 2.991 -4.250 1.00 0.00 C ATOM 0 H LEU A 54 3.756 7.453 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 54 3.494 4.802 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.810 5.906 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.002 5.523 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 54 2.090 3.324 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.171 2.870 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.004 4.430 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.489 4.388 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.403 1.993 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.810 3.477 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.868 2.913 -3.910 1.00 0.00 H new ATOM 745 N GLN A 55 5.487 3.715 -2.191 1.00 0.00 N ATOM 746 CA GLN A 55 6.733 3.119 -2.657 1.00 0.00 C ATOM 747 C GLN A 55 6.468 1.814 -3.400 1.00 0.00 C ATOM 748 O GLN A 55 5.407 1.208 -3.249 1.00 0.00 O ATOM 749 CB GLN A 55 7.675 2.867 -1.479 1.00 0.00 C ATOM 750 CG GLN A 55 9.145 2.870 -1.863 1.00 0.00 C ATOM 751 CD GLN A 55 10.064 2.868 -0.657 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.869 3.781 -0.474 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.948 1.838 0.173 1.00 0.00 N ATOM 0 H GLN A 55 4.994 3.166 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 55 7.205 3.819 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.505 3.630 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.428 1.906 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.358 1.996 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.355 3.748 -2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.267 1.103 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.540 1.782 1.002 1.00 0.00 H new ATOM 762 N GLN A 56 7.438 1.388 -4.203 1.00 0.00 N ATOM 763 CA GLN A 56 7.307 0.155 -4.970 1.00 0.00 C ATOM 764 C GLN A 56 7.813 -1.040 -4.169 1.00 0.00 C ATOM 765 O GLN A 56 8.601 -0.886 -3.234 1.00 0.00 O ATOM 766 CB GLN A 56 8.078 0.265 -6.286 1.00 0.00 C ATOM 767 CG GLN A 56 7.794 -0.873 -7.254 1.00 0.00 C ATOM 768 CD GLN A 56 8.648 -0.801 -8.505 1.00 0.00 C ATOM 769 OE1 GLN A 56 8.143 -0.920 -9.622 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.949 -0.606 -8.324 1.00 0.00 N ATOM 0 H GLN A 56 8.322 1.878 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 56 6.250 0.002 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.827 1.211 -6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.146 0.290 -6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.970 -1.824 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.741 -0.852 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.324 -0.513 -7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.573 -0.549 -9.129 1.00 0.00 H new ATOM 779 N LEU A 57 7.356 -2.231 -4.540 1.00 0.00 N ATOM 780 CA LEU A 57 7.762 -3.454 -3.856 1.00 0.00 C ATOM 781 C LEU A 57 7.217 -3.488 -2.432 1.00 0.00 C ATOM 782 O LEU A 57 7.858 -4.016 -1.524 1.00 0.00 O ATOM 783 CB LEU A 57 9.288 -3.566 -3.833 1.00 0.00 C ATOM 784 CG LEU A 57 9.993 -3.404 -5.180 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.467 -3.089 -4.976 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.826 -4.659 -6.024 1.00 0.00 C ATOM 0 H LEU A 57 6.704 -2.376 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 57 7.349 -4.301 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.677 -2.812 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.555 -4.539 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 57 9.534 -2.570 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.953 -2.977 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.566 -2.162 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.940 -3.902 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.334 -4.526 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.258 -5.511 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.766 -4.841 -6.200 1.00 0.00 H new ATOM 798 N ASP A 58 6.029 -2.924 -2.246 1.00 0.00 N ATOM 799 CA ASP A 58 5.395 -2.893 -0.933 1.00 0.00 C ATOM 800 C ASP A 58 4.242 -3.889 -0.862 1.00 0.00 C ATOM 801 O ASP A 58 3.610 -4.198 -1.873 1.00 0.00 O ATOM 802 CB ASP A 58 4.887 -1.484 -0.621 1.00 0.00 C ATOM 803 CG ASP A 58 6.017 -0.501 -0.383 1.00 0.00 C ATOM 804 OD1 ASP A 58 7.132 -0.743 -0.892 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.786 0.510 0.312 1.00 0.00 O ATOM 0 H ASP A 58 5.486 -2.482 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 58 6.141 -3.175 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.271 -1.132 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.247 -1.518 0.261 1.00 0.00 H new ATOM 810 N THR A 59 3.973 -4.391 0.339 1.00 0.00 N ATOM 811 CA THR A 59 2.898 -5.355 0.542 1.00 0.00 C ATOM 812 C THR A 59 1.642 -4.673 1.072 1.00 0.00 C ATOM 813 O THR A 59 1.713 -3.814 1.951 1.00 0.00 O ATOM 814 CB THR A 59 3.318 -6.466 1.522 1.00 0.00 C ATOM 815 OG1 THR A 59 4.582 -7.013 1.131 1.00 0.00 O ATOM 816 CG2 THR A 59 2.273 -7.571 1.567 1.00 0.00 C ATOM 0 H THR A 59 4.485 -4.146 1.186 1.00 0.00 H new ATOM 0 HA THR A 59 2.684 -5.800 -0.430 1.00 0.00 H new ATOM 0 HB THR A 59 3.405 -6.029 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.842 -7.718 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.591 -8.345 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.319 -7.157 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.159 -8.004 0.573 1.00 0.00 H new ATOM 824 N VAL A 60 0.491 -5.062 0.532 1.00 0.00 N ATOM 825 CA VAL A 60 -0.782 -4.489 0.952 1.00 0.00 C ATOM 826 C VAL A 60 -1.359 -5.247 2.143 1.00 0.00 C ATOM 827 O VAL A 60 -1.633 -6.445 2.058 1.00 0.00 O ATOM 828 CB VAL A 60 -1.809 -4.501 -0.196 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.133 -3.911 0.265 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.269 -3.745 -1.400 1.00 0.00 C ATOM 0 H VAL A 60 0.414 -5.771 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.585 -3.457 1.242 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.984 -5.535 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.846 -3.928 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.524 -4.499 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.979 -2.882 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.007 -3.763 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.064 -2.712 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.349 -4.217 -1.743 1.00 0.00 H new ATOM 840 N LEU A 61 -1.542 -4.541 3.253 1.00 0.00 N ATOM 841 CA LEU A 61 -2.088 -5.146 4.463 1.00 0.00 C ATOM 842 C LEU A 61 -3.612 -5.075 4.468 1.00 0.00 C ATOM 843 O LEU A 61 -4.289 -6.100 4.529 1.00 0.00 O ATOM 844 CB LEU A 61 -1.529 -4.446 5.704 1.00 0.00 C ATOM 845 CG LEU A 61 -0.048 -4.684 5.998 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.393 -3.873 7.207 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.220 -6.165 6.221 1.00 0.00 C ATOM 0 H LEU A 61 -1.320 -3.549 3.340 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.792 -6.195 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.689 -3.373 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.107 -4.768 6.570 1.00 0.00 H new ATOM 0 HG LEU A 61 0.531 -4.356 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.450 -4.055 7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.238 -2.812 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.192 -4.170 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.279 -6.316 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.370 -6.518 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.057 -6.724 5.327 1.00 0.00 H new ATOM 859 N GLN A 62 -4.142 -3.858 4.402 1.00 0.00 N ATOM 860 CA GLN A 62 -5.586 -3.654 4.398 1.00 0.00 C ATOM 861 C GLN A 62 -5.963 -2.452 3.538 1.00 0.00 C ATOM 862 O GLN A 62 -5.222 -1.471 3.464 1.00 0.00 O ATOM 863 CB GLN A 62 -6.099 -3.456 5.825 1.00 0.00 C ATOM 864 CG GLN A 62 -5.719 -2.113 6.428 1.00 0.00 C ATOM 865 CD GLN A 62 -5.949 -2.058 7.925 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.035 -1.758 8.695 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.174 -2.349 8.347 1.00 0.00 N ATOM 0 H GLN A 62 -3.594 -2.999 4.351 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.052 -4.543 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.185 -3.552 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.707 -4.253 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.669 -1.909 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.299 -1.326 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.901 -2.592 7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.388 -2.329 9.344 1.00 0.00 H new ATOM 876 N LEU A 63 -7.120 -2.535 2.890 1.00 0.00 N ATOM 877 CA LEU A 63 -7.596 -1.454 2.034 1.00 0.00 C ATOM 878 C LEU A 63 -8.999 -1.015 2.441 1.00 0.00 C ATOM 879 O LEU A 63 -9.838 -1.839 2.800 1.00 0.00 O ATOM 880 CB LEU A 63 -7.593 -1.897 0.570 1.00 0.00 C ATOM 881 CG LEU A 63 -8.357 -0.999 -0.405 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.726 -1.054 -1.787 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.822 -1.407 -0.468 1.00 0.00 C ATOM 0 H LEU A 63 -7.745 -3.339 2.941 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.921 -0.606 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.558 -1.966 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.014 -2.901 0.514 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.302 0.028 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.283 -0.409 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.692 -0.713 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.750 -2.079 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.351 -0.758 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.898 -2.441 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.268 -1.315 0.522 1.00 0.00 H new ATOM 895 N ASN A 64 -9.246 0.290 2.381 1.00 0.00 N ATOM 896 CA ASN A 64 -10.548 0.839 2.742 1.00 0.00 C ATOM 897 C ASN A 64 -11.003 0.311 4.099 1.00 0.00 C ATOM 898 O ASN A 64 -12.169 -0.038 4.280 1.00 0.00 O ATOM 899 CB ASN A 64 -11.586 0.491 1.673 1.00 0.00 C ATOM 900 CG ASN A 64 -11.629 1.514 0.554 1.00 0.00 C ATOM 901 OD1 ASN A 64 -12.689 2.049 0.228 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.474 1.791 -0.039 1.00 0.00 N ATOM 0 H ASN A 64 -8.562 0.986 2.086 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.452 1.923 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.359 -0.490 1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.570 0.421 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.441 2.472 -0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.620 1.323 0.264 1.00 0.00 H new ATOM 909 N GLU A 65 -10.075 0.258 5.049 1.00 0.00 N ATOM 910 CA GLU A 65 -10.381 -0.227 6.389 1.00 0.00 C ATOM 911 C GLU A 65 -10.839 -1.682 6.350 1.00 0.00 C ATOM 912 O GLU A 65 -11.608 -2.125 7.204 1.00 0.00 O ATOM 913 CB GLU A 65 -11.462 0.642 7.035 1.00 0.00 C ATOM 914 CG GLU A 65 -10.992 2.046 7.375 1.00 0.00 C ATOM 915 CD GLU A 65 -11.837 2.700 8.452 1.00 0.00 C ATOM 916 OE1 GLU A 65 -12.068 2.055 9.496 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.267 3.854 8.250 1.00 0.00 O ATOM 0 H GLU A 65 -9.105 0.545 4.915 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.471 -0.167 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.315 0.707 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.812 0.155 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.954 2.007 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.017 2.661 6.476 1.00 0.00 H new ATOM 924 N ARG A 66 -10.361 -2.420 5.353 1.00 0.00 N ATOM 925 CA ARG A 66 -10.723 -3.824 5.201 1.00 0.00 C ATOM 926 C ARG A 66 -9.485 -4.679 4.941 1.00 0.00 C ATOM 927 O ARG A 66 -8.543 -4.262 4.266 1.00 0.00 O ATOM 928 CB ARG A 66 -11.722 -3.994 4.055 1.00 0.00 C ATOM 929 CG ARG A 66 -13.122 -3.506 4.391 1.00 0.00 C ATOM 930 CD ARG A 66 -14.142 -4.001 3.378 1.00 0.00 C ATOM 931 NE ARG A 66 -14.492 -5.403 3.594 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.328 -5.814 4.541 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.896 -4.936 5.355 1.00 0.00 N ATOM 934 NH2 ARG A 66 -15.596 -7.107 4.675 1.00 0.00 N ATOM 0 H ARG A 66 -9.723 -2.069 4.639 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.186 -4.157 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.357 -3.452 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.770 -5.047 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.400 -3.851 5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.132 -2.416 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.042 -3.389 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.742 -3.878 2.371 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.071 -6.104 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.692 -3.942 5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.538 -5.255 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.160 -7.786 4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.238 -7.422 5.402 1.00 0.00 H new ATOM 948 N PRO A 67 -9.485 -5.902 5.490 1.00 0.00 N ATOM 949 CA PRO A 67 -8.370 -6.841 5.332 1.00 0.00 C ATOM 950 C PRO A 67 -8.258 -7.373 3.907 1.00 0.00 C ATOM 951 O PRO A 67 -9.226 -7.889 3.348 1.00 0.00 O ATOM 952 CB PRO A 67 -8.720 -7.974 6.300 1.00 0.00 C ATOM 953 CG PRO A 67 -10.203 -7.917 6.429 1.00 0.00 C ATOM 954 CD PRO A 67 -10.574 -6.465 6.307 1.00 0.00 C ATOM 0 HA PRO A 67 -7.408 -6.370 5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.393 -8.940 5.914 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.233 -7.835 7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.685 -8.510 5.652 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.527 -8.323 7.387 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.544 -6.337 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.635 -5.983 7.282 1.00 0.00 H new ATOM 962 N VAL A 68 -7.070 -7.244 3.325 1.00 0.00 N ATOM 963 CA VAL A 68 -6.831 -7.713 1.965 1.00 0.00 C ATOM 964 C VAL A 68 -5.568 -8.565 1.892 1.00 0.00 C ATOM 965 O VAL A 68 -4.943 -8.675 0.838 1.00 0.00 O ATOM 966 CB VAL A 68 -6.701 -6.537 0.980 1.00 0.00 C ATOM 967 CG1 VAL A 68 -7.993 -5.736 0.931 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.528 -5.648 1.364 1.00 0.00 C ATOM 0 H VAL A 68 -6.259 -6.819 3.774 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.692 -8.319 1.683 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.513 -6.939 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.882 -4.909 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.809 -6.381 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.215 -5.343 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.451 -4.822 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.684 -5.253 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.607 -6.231 1.343 1.00 0.00 H new ATOM 978 N GLU A 69 -5.200 -9.166 3.019 1.00 0.00 N ATOM 979 CA GLU A 69 -4.011 -10.008 3.082 1.00 0.00 C ATOM 980 C GLU A 69 -4.184 -11.259 2.226 1.00 0.00 C ATOM 981 O GLU A 69 -3.223 -11.768 1.649 1.00 0.00 O ATOM 982 CB GLU A 69 -3.715 -10.404 4.530 1.00 0.00 C ATOM 983 CG GLU A 69 -2.956 -9.342 5.309 1.00 0.00 C ATOM 984 CD GLU A 69 -2.815 -9.686 6.779 1.00 0.00 C ATOM 985 OE1 GLU A 69 -2.355 -10.806 7.085 1.00 0.00 O ATOM 986 OE2 GLU A 69 -3.165 -8.835 7.623 1.00 0.00 O ATOM 0 H GLU A 69 -5.708 -9.086 3.900 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.170 -9.435 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.655 -10.614 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.137 -11.328 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.965 -9.215 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.472 -8.387 5.211 1.00 0.00 H new ATOM 993 N HIS A 70 -5.417 -11.750 2.150 1.00 0.00 N ATOM 994 CA HIS A 70 -5.718 -12.942 1.365 1.00 0.00 C ATOM 995 C HIS A 70 -6.566 -12.591 0.146 1.00 0.00 C ATOM 996 O HIS A 70 -7.420 -13.371 -0.273 1.00 0.00 O ATOM 997 CB HIS A 70 -6.445 -13.975 2.226 1.00 0.00 C ATOM 998 CG HIS A 70 -6.188 -15.391 1.808 1.00 0.00 C ATOM 999 ND1 HIS A 70 -7.182 -16.235 1.360 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -5.041 -16.108 1.771 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -6.657 -17.412 1.067 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -5.360 -17.361 1.307 1.00 0.00 N ATOM 0 H HIS A 70 -6.223 -11.341 2.622 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.775 -13.366 1.019 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.139 -13.850 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.517 -13.781 2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.058 -15.760 2.053 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.197 -18.270 0.695 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.701 -18.128 1.170 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.324 -11.412 -0.416 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.066 -10.957 -1.587 1.00 0.00 C ATOM 1013 C TRP A 71 -6.214 -11.065 -2.847 1.00 0.00 C ATOM 1014 O TRP A 71 -5.037 -10.702 -2.846 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.530 -9.513 -1.392 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.622 -9.373 -0.374 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.902 -10.231 0.651 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.579 -8.312 -0.285 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -9.976 -9.767 1.372 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.409 -8.591 0.818 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.815 -7.152 -1.028 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.456 -7.754 1.193 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.855 -6.322 -0.656 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.664 -6.625 0.447 1.00 0.00 C ATOM 0 H TRP A 71 -5.620 -10.754 -0.080 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.939 -11.599 -1.706 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.679 -8.903 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.880 -9.119 -2.346 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.359 -11.140 0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.385 -10.224 2.187 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.195 -6.909 -1.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.082 -7.987 2.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.048 -5.425 -1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.468 -5.955 0.714 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.815 -11.565 -3.921 1.00 0.00 N ATOM 1036 CA LYS A 72 -6.112 -11.718 -5.190 1.00 0.00 C ATOM 1037 C LYS A 72 -6.202 -10.442 -6.019 1.00 0.00 C ATOM 1038 O LYS A 72 -7.155 -9.672 -5.890 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.693 -12.894 -5.979 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.688 -14.204 -5.211 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.856 -15.395 -6.139 1.00 0.00 C ATOM 1042 CE LYS A 72 -8.323 -15.676 -6.426 1.00 0.00 C ATOM 1043 NZ LYS A 72 -8.947 -16.510 -5.362 1.00 0.00 N ATOM 0 H LYS A 72 -7.788 -11.871 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.062 -11.916 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.717 -12.656 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.123 -13.020 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.752 -14.300 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.492 -14.199 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.331 -15.205 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.397 -16.275 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.863 -14.733 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.414 -16.184 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.946 -16.679 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.448 -17.420 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.883 -16.014 -4.450 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.206 -10.224 -6.871 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.172 -9.040 -7.722 1.00 0.00 C ATOM 1059 C CYS A 73 -6.562 -8.721 -8.264 1.00 0.00 C ATOM 1060 O CYS A 73 -6.984 -7.565 -8.278 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.195 -9.247 -8.880 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.693 -10.536 -10.046 1.00 0.00 S ATOM 0 H CYS A 73 -4.411 -10.852 -6.991 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.835 -8.198 -7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.084 -8.307 -9.420 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.215 -9.498 -8.474 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.805 -10.634 -10.990 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.268 -9.755 -8.712 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.610 -9.585 -9.256 1.00 0.00 C ATOM 1070 C VAL A 74 -9.597 -9.177 -8.168 1.00 0.00 C ATOM 1071 O VAL A 74 -10.549 -8.442 -8.425 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.110 -10.877 -9.929 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.338 -11.145 -11.212 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.996 -12.054 -8.973 1.00 0.00 C ATOM 0 H VAL A 74 -6.933 -10.718 -8.709 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.551 -8.794 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.161 -10.748 -10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.705 -12.062 -11.673 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.477 -10.312 -11.901 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.278 -11.254 -10.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.354 -12.958 -9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.954 -12.187 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.599 -11.861 -8.085 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.361 -9.659 -6.952 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.230 -9.344 -5.824 1.00 0.00 C ATOM 1086 C GLU A 75 -9.995 -7.917 -5.338 1.00 0.00 C ATOM 1087 O GLU A 75 -10.942 -7.175 -5.075 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.994 -10.330 -4.679 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.850 -11.583 -4.767 1.00 0.00 C ATOM 1090 CD GLU A 75 -10.504 -12.602 -3.698 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -10.081 -12.188 -2.599 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -10.657 -13.813 -3.962 1.00 0.00 O ATOM 0 H GLU A 75 -8.576 -10.269 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.263 -9.429 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.943 -10.618 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.195 -9.829 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.901 -11.308 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.724 -12.036 -5.750 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.727 -7.540 -5.222 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.366 -6.201 -4.767 1.00 0.00 C ATOM 1101 C LEU A 76 -8.676 -5.160 -5.837 1.00 0.00 C ATOM 1102 O LEU A 76 -9.572 -4.333 -5.671 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.881 -6.148 -4.403 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.398 -4.857 -3.742 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.350 -4.436 -2.634 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -4.987 -5.032 -3.197 1.00 0.00 C ATOM 0 H LEU A 76 -7.932 -8.142 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.960 -5.973 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.662 -6.980 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.299 -6.308 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.380 -4.070 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.990 -3.515 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.343 -4.269 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.401 -5.221 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.660 -4.103 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.979 -5.832 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.311 -5.286 -4.013 1.00 0.00 H new ATOM 1118 N ALA A 77 -7.931 -5.209 -6.937 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.129 -4.273 -8.036 1.00 0.00 C ATOM 1120 C ALA A 77 -9.596 -3.874 -8.160 1.00 0.00 C ATOM 1121 O ALA A 77 -9.914 -2.719 -8.443 1.00 0.00 O ATOM 1122 CB ALA A 77 -7.633 -4.878 -9.341 1.00 0.00 C ATOM 0 H ALA A 77 -7.185 -5.887 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.551 -3.374 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.787 -4.168 -10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.571 -5.106 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.185 -5.794 -9.550 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.487 -4.838 -7.947 1.00 0.00 N ATOM 1129 CA HIS A 78 -11.921 -4.587 -8.035 1.00 0.00 C ATOM 1130 C HIS A 78 -12.358 -3.561 -6.994 1.00 0.00 C ATOM 1131 O HIS A 78 -13.002 -2.566 -7.322 1.00 0.00 O ATOM 1132 CB HIS A 78 -12.700 -5.888 -7.845 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.183 -5.724 -7.979 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -14.779 -5.151 -9.083 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.191 -6.062 -7.142 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.090 -5.142 -8.917 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.366 -5.691 -7.748 1.00 0.00 N ATOM 0 H HIS A 78 -10.241 -5.800 -7.712 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.135 -4.186 -9.026 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.356 -6.618 -8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.476 -6.296 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.090 -6.536 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -16.813 -4.752 -9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.300 -5.819 -7.359 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.003 -3.813 -5.737 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.361 -2.911 -4.648 1.00 0.00 C ATOM 1148 C GLU A 79 -11.877 -1.493 -4.935 1.00 0.00 C ATOM 1149 O GLU A 79 -12.606 -0.523 -4.726 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.766 -3.408 -3.329 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.322 -2.699 -2.106 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.778 -3.036 -1.847 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.183 -4.179 -2.145 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.511 -2.158 -1.347 1.00 0.00 O ATOM 0 H GLU A 79 -11.469 -4.633 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.448 -2.895 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.954 -4.478 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.684 -3.276 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.729 -2.971 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.220 -1.622 -2.238 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.642 -1.381 -5.414 1.00 0.00 N ATOM 1162 CA ILE A 80 -10.061 -0.082 -5.730 1.00 0.00 C ATOM 1163 C ILE A 80 -10.963 0.710 -6.669 1.00 0.00 C ATOM 1164 O ILE A 80 -11.421 1.802 -6.332 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.670 -0.230 -6.376 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.715 -0.950 -5.422 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -8.117 1.134 -6.758 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.492 -1.518 -6.107 1.00 0.00 C ATOM 0 H ILE A 80 -10.025 -2.174 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.960 0.456 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.767 -0.828 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.397 -0.254 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.252 -1.758 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.134 1.014 -7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.790 1.613 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.030 1.754 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.860 -2.014 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.801 -2.239 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.933 -0.711 -6.581 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.217 0.152 -7.848 1.00 0.00 N ATOM 1181 CA ARG A 81 -12.066 0.807 -8.836 1.00 0.00 C ATOM 1182 C ARG A 81 -13.392 1.236 -8.215 1.00 0.00 C ATOM 1183 O ARG A 81 -13.926 2.297 -8.537 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.323 -0.129 -10.019 1.00 0.00 C ATOM 1185 CG ARG A 81 -11.256 -0.052 -11.099 1.00 0.00 C ATOM 1186 CD ARG A 81 -10.108 -1.008 -10.817 1.00 0.00 C ATOM 1187 NE ARG A 81 -8.917 -0.677 -11.594 1.00 0.00 N ATOM 1188 CZ ARG A 81 -8.795 -0.922 -12.894 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -9.787 -1.497 -13.559 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -7.679 -0.591 -13.531 1.00 0.00 N ATOM 0 H ARG A 81 -10.847 -0.752 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.547 1.697 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.385 -1.154 -9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.291 0.112 -10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.699 -0.289 -12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.875 0.967 -11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.867 -0.981 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.420 -2.027 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.135 -0.233 -11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.646 -1.752 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.691 -1.684 -14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.914 -0.148 -13.023 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.586 -0.780 -14.529 1.00 0.00 H new ATOM 1204 N SER A 82 -13.919 0.402 -7.324 1.00 0.00 N ATOM 1205 CA SER A 82 -15.185 0.692 -6.661 1.00 0.00 C ATOM 1206 C SER A 82 -15.341 2.190 -6.419 1.00 0.00 C ATOM 1207 O SER A 82 -16.335 2.795 -6.821 1.00 0.00 O ATOM 1208 CB SER A 82 -15.275 -0.063 -5.333 1.00 0.00 C ATOM 1209 OG SER A 82 -14.915 -1.424 -5.495 1.00 0.00 O ATOM 0 H SER A 82 -13.489 -0.480 -7.045 1.00 0.00 H new ATOM 0 HA SER A 82 -15.993 0.361 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.619 0.405 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.290 0.004 -4.941 1.00 0.00 H new ATOM 0 HG SER A 82 -15.312 -1.955 -4.773 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.351 2.782 -5.760 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.377 4.210 -5.462 1.00 0.00 C ATOM 1217 C CYS A 83 -13.426 4.973 -6.378 1.00 0.00 C ATOM 1218 O CYS A 83 -12.214 5.007 -6.166 1.00 0.00 O ATOM 1219 CB CYS A 83 -14.002 4.454 -4.000 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.247 3.892 -2.815 1.00 0.00 S ATOM 0 H CYS A 83 -13.521 2.296 -5.422 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.390 4.574 -5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.060 3.948 -3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.831 5.520 -3.853 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.838 4.140 -1.606 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.986 5.601 -7.423 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.206 6.374 -8.393 1.00 0.00 C ATOM 1228 C PRO A 84 -12.648 7.661 -7.795 1.00 0.00 C ATOM 1229 O PRO A 84 -11.513 8.046 -8.075 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.222 6.693 -9.493 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.545 6.651 -8.809 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.425 5.603 -7.737 1.00 0.00 C ATOM 0 HA PRO A 84 -12.334 5.823 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.035 7.672 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.171 5.965 -10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.793 7.622 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.340 6.401 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.027 5.851 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.761 4.628 -8.089 1.00 0.00 H new ATOM 1240 N SER A 85 -13.454 8.322 -6.969 1.00 0.00 N ATOM 1241 CA SER A 85 -13.041 9.568 -6.333 1.00 0.00 C ATOM 1242 C SER A 85 -11.685 9.408 -5.654 1.00 0.00 C ATOM 1243 O SER A 85 -10.702 10.032 -6.052 1.00 0.00 O ATOM 1244 CB SER A 85 -14.088 10.013 -5.310 1.00 0.00 C ATOM 1245 OG SER A 85 -14.766 8.899 -4.756 1.00 0.00 O ATOM 0 H SER A 85 -14.396 8.016 -6.725 1.00 0.00 H new ATOM 0 HA SER A 85 -12.952 10.331 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.605 10.581 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.807 10.680 -5.787 1.00 0.00 H new ATOM 0 HG SER A 85 -15.428 9.210 -4.104 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.640 8.567 -4.625 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.405 8.325 -3.889 1.00 0.00 C ATOM 1253 C GLU A 86 -10.359 6.896 -3.357 1.00 0.00 C ATOM 1254 O GLU A 86 -11.391 6.234 -3.236 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.272 9.317 -2.732 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.961 9.195 -1.973 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.042 8.211 -0.823 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.081 8.195 -0.129 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -8.068 7.457 -0.616 1.00 0.00 O ATOM 0 H GLU A 86 -12.445 8.042 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.570 8.465 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.364 10.331 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.099 9.166 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.176 8.881 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.675 10.174 -1.589 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.157 6.427 -3.040 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.977 5.077 -2.520 1.00 0.00 C ATOM 1268 C ILE A 87 -7.846 5.028 -1.499 1.00 0.00 C ATOM 1269 O ILE A 87 -6.780 5.607 -1.710 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.677 4.074 -3.650 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.405 4.479 -4.397 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.855 3.988 -4.608 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.148 3.853 -3.833 1.00 0.00 C ATOM 0 H ILE A 87 -8.293 6.962 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.913 4.798 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.519 3.090 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.503 4.196 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.306 5.564 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.628 3.275 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.741 3.658 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.041 4.969 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.286 4.184 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.026 4.156 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.226 2.767 -3.888 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.085 4.332 -0.392 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.085 4.205 0.661 1.00 0.00 C ATOM 1287 C ILE A 88 -6.515 2.792 0.709 1.00 0.00 C ATOM 1288 O ILE A 88 -7.258 1.809 0.702 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.673 4.556 2.040 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.249 5.974 2.027 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.609 4.421 3.119 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.118 6.284 3.226 1.00 0.00 C ATOM 0 H ILE A 88 -8.962 3.848 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.287 4.909 0.425 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.480 3.858 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.428 6.690 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.835 6.111 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.040 4.672 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.241 3.395 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.783 5.098 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.492 7.305 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.959 5.591 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.530 6.179 4.138 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.191 2.696 0.760 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.519 1.402 0.811 1.00 0.00 C ATOM 1306 C LEU A 89 -3.354 1.432 1.796 1.00 0.00 C ATOM 1307 O LEU A 89 -2.438 2.245 1.666 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.015 1.011 -0.579 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.089 2.016 -1.265 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.177 1.311 -2.257 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.900 3.100 -1.961 1.00 0.00 C ATOM 0 H LEU A 89 -4.561 3.499 0.767 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.241 0.659 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.489 0.059 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.879 0.845 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.468 2.487 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.525 2.042 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.571 0.573 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.781 0.812 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.225 3.806 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.547 2.645 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.510 3.626 -1.227 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.395 0.541 2.780 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.343 0.463 3.787 1.00 0.00 C ATOM 1325 C LEU A 90 -1.275 -0.549 3.382 1.00 0.00 C ATOM 1326 O LEU A 90 -1.586 -1.615 2.851 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.935 0.081 5.145 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.928 -0.235 6.251 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.340 1.047 6.820 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.585 -1.057 7.351 1.00 0.00 C ATOM 0 H LEU A 90 -4.146 -0.138 2.902 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.876 1.445 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.572 0.898 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.578 -0.788 5.007 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.117 -0.822 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.625 0.802 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.833 1.598 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.139 1.661 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.854 -1.273 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.415 -0.495 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.957 -1.993 6.933 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.016 -0.208 3.638 1.00 0.00 N ATOM 1343 CA VAL A 91 1.097 -1.088 3.303 1.00 0.00 C ATOM 1344 C VAL A 91 2.149 -1.087 4.407 1.00 0.00 C ATOM 1345 O VAL A 91 2.096 -0.273 5.329 1.00 0.00 O ATOM 1346 CB VAL A 91 1.760 -0.673 1.977 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.774 -0.794 0.825 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.308 0.743 2.074 1.00 0.00 C ATOM 0 H VAL A 91 0.258 0.671 4.076 1.00 0.00 H new ATOM 0 HA VAL A 91 0.687 -2.092 3.197 1.00 0.00 H new ATOM 0 HB VAL A 91 2.594 -1.348 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.261 -0.496 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.436 -1.827 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.082 -0.146 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.773 1.019 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.494 1.434 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.050 0.792 2.871 1.00 0.00 H new ATOM 1358 N TRP A 92 3.104 -2.004 4.306 1.00 0.00 N ATOM 1359 CA TRP A 92 4.170 -2.109 5.296 1.00 0.00 C ATOM 1360 C TRP A 92 5.475 -1.537 4.754 1.00 0.00 C ATOM 1361 O TRP A 92 5.864 -1.821 3.620 1.00 0.00 O ATOM 1362 CB TRP A 92 4.370 -3.568 5.708 1.00 0.00 C ATOM 1363 CG TRP A 92 5.640 -3.802 6.469 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.888 -3.982 5.945 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.784 -3.884 7.891 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.800 -4.170 6.956 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.148 -4.114 8.159 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.895 -3.783 8.964 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.639 -4.245 9.455 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.384 -3.914 10.250 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.746 -4.142 10.486 1.00 0.00 C ATOM 0 H TRP A 92 3.162 -2.685 3.549 1.00 0.00 H new ATOM 0 HA TRP A 92 3.877 -1.529 6.171 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.525 -3.884 6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.369 -4.193 4.815 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.124 -3.977 4.891 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.800 -4.326 6.831 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.844 -3.606 8.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.688 -4.422 9.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.705 -3.839 11.087 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.098 -4.238 11.502 1.00 0.00 H new ATOM 1382 N ARG A 93 6.148 -0.732 5.569 1.00 0.00 N ATOM 1383 CA ARG A 93 7.410 -0.121 5.169 1.00 0.00 C ATOM 1384 C ARG A 93 8.490 -0.366 6.219 1.00 0.00 C ATOM 1385 O ARG A 93 8.191 -0.586 7.393 1.00 0.00 O ATOM 1386 CB ARG A 93 7.226 1.382 4.952 1.00 0.00 C ATOM 1387 CG ARG A 93 8.289 2.003 4.061 1.00 0.00 C ATOM 1388 CD ARG A 93 7.938 1.853 2.589 1.00 0.00 C ATOM 1389 NE ARG A 93 6.668 2.494 2.260 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.555 3.774 1.925 1.00 0.00 C ATOM 1391 NH1 ARG A 93 7.632 4.546 1.875 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.364 4.285 1.640 1.00 0.00 N ATOM 0 H ARG A 93 5.841 -0.488 6.510 1.00 0.00 H new ATOM 0 HA ARG A 93 7.727 -0.581 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.245 1.559 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.236 1.884 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.398 3.060 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.251 1.530 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.731 2.288 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.886 0.794 2.335 1.00 0.00 H new ATOM 0 HE ARG A 93 5.821 1.927 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.549 4.157 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.543 5.529 1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.533 3.694 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.279 5.268 1.383 1.00 0.00 H new ATOM 1406 N VAL A 94 9.747 -0.327 5.788 1.00 0.00 N ATOM 1407 CA VAL A 94 10.871 -0.544 6.691 1.00 0.00 C ATOM 1408 C VAL A 94 11.789 0.673 6.728 1.00 0.00 C ATOM 1409 O VAL A 94 12.234 1.160 5.689 1.00 0.00 O ATOM 1410 CB VAL A 94 11.692 -1.779 6.277 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.892 -1.956 7.196 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.819 -3.025 6.281 1.00 0.00 C ATOM 0 H VAL A 94 10.012 -0.147 4.820 1.00 0.00 H new ATOM 0 HA VAL A 94 10.452 -0.710 7.684 1.00 0.00 H new ATOM 0 HB VAL A 94 12.061 -1.625 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.460 -2.834 6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.528 -1.073 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.548 -2.088 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.416 -3.888 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.419 -3.186 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.996 -2.895 5.578 1.00 0.00 H new