USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 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 53 LYS NZ :NH3+ -141:sc= 2.15 (180deg=0.239) USER MOD Set 1.2: A 54 ASN : amide:sc= 1.06 K(o=3.2,f=-11!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0177) USER MOD Set 2.2: A 78 TYR OH : rot 151:sc= -0.169 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0338 (180deg=-0.249) USER MOD Single : A 18 MET CE :methyl 179:sc= 0 (180deg=-0.000176) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0.825 (180deg=0.68) USER MOD Single : A 25 GLN : amide:sc= 0.717 K(o=0.72,f=-0.14) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 46 GLN : amide:sc= 0.52 K(o=0.52,f=-0.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0.63 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= 1.12 (180deg=0.65) USER MOD Single : A 70 SER OG : rot 180:sc= 0.077 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 81 SER OG : rot 79:sc= 1.24 USER MOD Single : A 82 CYS SG : rot 76:sc= 0.555 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.323 -0.094 -5.782 1.00 0.00 N ATOM 183 CA LYS A 16 -9.636 0.174 -7.183 1.00 0.00 C ATOM 184 C LYS A 16 -8.518 -0.440 -8.032 1.00 0.00 C ATOM 185 O LYS A 16 -7.466 -0.813 -7.508 1.00 0.00 O ATOM 186 CB LYS A 16 -9.703 1.704 -7.372 1.00 0.00 C ATOM 187 CG LYS A 16 -11.022 2.327 -6.896 1.00 0.00 C ATOM 188 CD LYS A 16 -12.069 2.518 -8.001 1.00 0.00 C ATOM 189 CE LYS A 16 -11.668 3.616 -8.997 1.00 0.00 C ATOM 190 NZ LYS A 16 -11.545 4.945 -8.362 1.00 0.00 N ATOM 0 HA LYS A 16 -10.591 -0.258 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.877 2.165 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.561 1.937 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.447 1.696 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.809 3.295 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.206 1.578 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.028 2.772 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.718 3.350 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.410 3.666 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.492 5.678 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.374 5.120 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.682 4.974 -7.782 1.00 0.00 H new ATOM 204 N PRO A 17 -8.695 -0.593 -9.352 1.00 0.00 N ATOM 205 CA PRO A 17 -7.644 -1.159 -10.182 1.00 0.00 C ATOM 206 C PRO A 17 -6.495 -0.153 -10.265 1.00 0.00 C ATOM 207 O PRO A 17 -6.670 0.990 -10.684 1.00 0.00 O ATOM 208 CB PRO A 17 -8.295 -1.442 -11.534 1.00 0.00 C ATOM 209 CG PRO A 17 -9.438 -0.427 -11.604 1.00 0.00 C ATOM 210 CD PRO A 17 -9.855 -0.230 -10.152 1.00 0.00 C ATOM 0 HA PRO A 17 -7.218 -2.081 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.590 -1.308 -12.354 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.664 -2.466 -11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.111 0.510 -12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.265 -0.800 -12.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.150 0.803 -9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.712 -0.855 -9.903 1.00 0.00 H new ATOM 218 N MET A 18 -5.326 -0.562 -9.785 1.00 0.00 N ATOM 219 CA MET A 18 -4.125 0.258 -9.790 1.00 0.00 C ATOM 220 C MET A 18 -3.530 0.127 -11.178 1.00 0.00 C ATOM 221 O MET A 18 -3.118 -0.966 -11.581 1.00 0.00 O ATOM 222 CB MET A 18 -3.146 -0.190 -8.713 1.00 0.00 C ATOM 223 CG MET A 18 -3.751 -0.010 -7.314 1.00 0.00 C ATOM 224 SD MET A 18 -4.025 1.709 -6.806 1.00 0.00 S ATOM 225 CE MET A 18 -2.705 1.895 -5.574 1.00 0.00 C ATOM 0 H MET A 18 -5.186 -1.486 -9.376 1.00 0.00 H new ATOM 0 HA MET A 18 -4.356 1.299 -9.564 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.883 -1.236 -8.868 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.224 0.386 -8.792 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.703 -0.539 -7.277 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.093 -0.486 -6.587 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.722 2.908 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.860 1.182 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.740 1.706 -6.044 1.00 0.00 H new ATOM 235 N SER A 19 -3.562 1.227 -11.910 1.00 0.00 N ATOM 236 CA SER A 19 -3.080 1.341 -13.273 1.00 0.00 C ATOM 237 C SER A 19 -1.552 1.328 -13.336 1.00 0.00 C ATOM 238 O SER A 19 -0.880 1.512 -12.319 1.00 0.00 O ATOM 239 CB SER A 19 -3.643 2.639 -13.881 1.00 0.00 C ATOM 240 OG SER A 19 -5.016 2.793 -13.559 1.00 0.00 O ATOM 0 H SER A 19 -3.942 2.104 -11.553 1.00 0.00 H new ATOM 0 HA SER A 19 -3.423 0.480 -13.847 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.079 3.494 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.519 2.622 -14.964 1.00 0.00 H new ATOM 0 HG SER A 19 -5.353 3.624 -13.953 1.00 0.00 H new ATOM 246 N TYR A 20 -0.990 1.175 -14.536 1.00 0.00 N ATOM 247 CA TYR A 20 0.459 1.168 -14.748 1.00 0.00 C ATOM 248 C TYR A 20 1.099 2.456 -14.200 1.00 0.00 C ATOM 249 O TYR A 20 2.160 2.405 -13.572 1.00 0.00 O ATOM 250 CB TYR A 20 0.741 0.990 -16.248 1.00 0.00 C ATOM 251 CG TYR A 20 2.095 1.503 -16.701 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.254 0.723 -16.546 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.196 2.797 -17.241 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.506 1.220 -16.950 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.443 3.309 -17.632 1.00 0.00 C ATOM 256 CZ TYR A 20 4.602 2.515 -17.505 1.00 0.00 C ATOM 257 OH TYR A 20 5.795 2.991 -17.948 1.00 0.00 O ATOM 0 H TYR A 20 -1.530 1.052 -15.393 1.00 0.00 H new ATOM 0 HA TYR A 20 0.906 0.336 -14.203 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.667 -0.069 -16.495 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.036 1.504 -16.814 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.183 -0.264 -16.114 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.308 3.401 -17.356 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.392 0.613 -16.836 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.515 4.310 -18.030 1.00 0.00 H new ATOM 0 HH TYR A 20 5.675 3.898 -18.299 1.00 0.00 H new ATOM 267 N GLU A 21 0.436 3.598 -14.416 1.00 0.00 N ATOM 268 CA GLU A 21 0.898 4.915 -13.979 1.00 0.00 C ATOM 269 C GLU A 21 0.866 5.027 -12.442 1.00 0.00 C ATOM 270 O GLU A 21 1.691 5.730 -11.860 1.00 0.00 O ATOM 271 CB GLU A 21 0.042 6.025 -14.631 1.00 0.00 C ATOM 272 CG GLU A 21 -0.169 5.946 -16.162 1.00 0.00 C ATOM 273 CD GLU A 21 1.034 6.287 -17.059 1.00 0.00 C ATOM 274 OE1 GLU A 21 1.917 7.092 -16.685 1.00 0.00 O ATOM 275 OE2 GLU A 21 1.078 5.774 -18.204 1.00 0.00 O ATOM 0 H GLU A 21 -0.456 3.630 -14.910 1.00 0.00 H new ATOM 0 HA GLU A 21 1.932 5.043 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.938 6.020 -14.154 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.503 6.986 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.496 4.935 -16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.987 6.617 -16.425 1.00 0.00 H new ATOM 282 N GLU A 22 -0.085 4.360 -11.774 1.00 0.00 N ATOM 283 CA GLU A 22 -0.223 4.358 -10.313 1.00 0.00 C ATOM 284 C GLU A 22 0.944 3.546 -9.755 1.00 0.00 C ATOM 285 O GLU A 22 1.684 3.989 -8.879 1.00 0.00 O ATOM 286 CB GLU A 22 -1.536 3.677 -9.864 1.00 0.00 C ATOM 287 CG GLU A 22 -2.840 4.281 -10.403 1.00 0.00 C ATOM 288 CD GLU A 22 -3.381 5.459 -9.597 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.666 6.053 -8.762 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.580 5.780 -9.796 1.00 0.00 O ATOM 0 H GLU A 22 -0.793 3.796 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.232 5.387 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.496 2.629 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.575 3.697 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.676 4.607 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.600 3.500 -10.434 1.00 0.00 H new ATOM 297 N LYS A 23 1.123 2.329 -10.280 1.00 0.00 N ATOM 298 CA LYS A 23 2.175 1.408 -9.872 1.00 0.00 C ATOM 299 C LYS A 23 3.543 2.074 -9.973 1.00 0.00 C ATOM 300 O LYS A 23 4.383 1.886 -9.100 1.00 0.00 O ATOM 301 CB LYS A 23 2.109 0.191 -10.787 1.00 0.00 C ATOM 302 CG LYS A 23 0.870 -0.674 -10.534 1.00 0.00 C ATOM 303 CD LYS A 23 0.738 -1.647 -11.695 1.00 0.00 C ATOM 304 CE LYS A 23 -0.388 -2.653 -11.466 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.138 -3.918 -12.185 1.00 0.00 N ATOM 0 H LYS A 23 0.524 1.954 -11.016 1.00 0.00 H new ATOM 0 HA LYS A 23 2.031 1.111 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.110 0.522 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.004 -0.414 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.967 -1.214 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.021 -0.051 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.549 -1.093 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.679 -2.180 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.487 -2.853 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.333 -2.225 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.015 -4.475 -12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.182 -3.710 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.596 -4.461 -11.687 1.00 0.00 H new ATOM 319 N ARG A 24 3.799 2.823 -11.049 1.00 0.00 N ATOM 320 CA ARG A 24 5.081 3.488 -11.207 1.00 0.00 C ATOM 321 C ARG A 24 5.226 4.640 -10.227 1.00 0.00 C ATOM 322 O ARG A 24 6.293 4.738 -9.623 1.00 0.00 O ATOM 323 CB ARG A 24 5.290 3.947 -12.649 1.00 0.00 C ATOM 324 CG ARG A 24 5.746 2.766 -13.528 1.00 0.00 C ATOM 325 CD ARG A 24 6.576 3.325 -14.675 1.00 0.00 C ATOM 326 NE ARG A 24 7.473 2.352 -15.319 1.00 0.00 N ATOM 327 CZ ARG A 24 8.597 2.705 -15.963 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.937 3.984 -16.067 1.00 0.00 N ATOM 329 NH2 ARG A 24 9.396 1.783 -16.483 1.00 0.00 N ATOM 0 H ARG A 24 3.140 2.979 -11.812 1.00 0.00 H new ATOM 0 HA ARG A 24 5.864 2.765 -10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.363 4.365 -13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.036 4.741 -12.680 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.334 2.059 -12.942 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.883 2.222 -13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.901 3.731 -15.429 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.173 4.157 -14.301 1.00 0.00 H new ATOM 0 HE ARG A 24 7.229 1.363 -15.274 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.343 4.705 -15.656 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.792 4.246 -16.557 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.159 0.795 -16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.247 2.062 -16.970 1.00 0.00 H new ATOM 343 N GLN A 25 4.208 5.492 -10.047 1.00 0.00 N ATOM 344 CA GLN A 25 4.301 6.607 -9.108 1.00 0.00 C ATOM 345 C GLN A 25 4.635 6.088 -7.709 1.00 0.00 C ATOM 346 O GLN A 25 5.404 6.724 -6.990 1.00 0.00 O ATOM 347 CB GLN A 25 2.996 7.417 -9.117 1.00 0.00 C ATOM 348 CG GLN A 25 3.041 8.633 -8.177 1.00 0.00 C ATOM 349 CD GLN A 25 4.135 9.627 -8.578 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.105 10.190 -9.670 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.146 9.851 -7.755 1.00 0.00 N ATOM 0 H GLN A 25 3.317 5.427 -10.539 1.00 0.00 H new ATOM 0 HA GLN A 25 5.106 7.274 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.792 7.756 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.170 6.769 -8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.074 9.135 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.215 8.295 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.177 9.387 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.895 10.488 -8.028 1.00 0.00 H new ATOM 360 N LEU A 26 4.096 4.927 -7.334 1.00 0.00 N ATOM 361 CA LEU A 26 4.352 4.316 -6.038 1.00 0.00 C ATOM 362 C LEU A 26 5.848 4.072 -5.855 1.00 0.00 C ATOM 363 O LEU A 26 6.356 4.247 -4.753 1.00 0.00 O ATOM 364 CB LEU A 26 3.525 3.029 -5.932 1.00 0.00 C ATOM 365 CG LEU A 26 3.509 2.342 -4.557 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.206 3.294 -3.401 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.476 1.215 -4.592 1.00 0.00 C ATOM 0 H LEU A 26 3.467 4.385 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 26 4.048 4.982 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.497 3.259 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.904 2.317 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 26 4.511 1.956 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.211 2.740 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.965 4.076 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.226 3.747 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.450 0.715 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.492 1.630 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.748 0.496 -5.365 1.00 0.00 H new ATOM 379 N SER A 27 6.566 3.705 -6.919 1.00 0.00 N ATOM 380 CA SER A 27 8.001 3.464 -6.862 1.00 0.00 C ATOM 381 C SER A 27 8.747 4.764 -6.543 1.00 0.00 C ATOM 382 O SER A 27 9.687 4.752 -5.744 1.00 0.00 O ATOM 383 CB SER A 27 8.506 2.885 -8.185 1.00 0.00 C ATOM 384 OG SER A 27 9.601 2.023 -7.943 1.00 0.00 O ATOM 0 H SER A 27 6.162 3.567 -7.846 1.00 0.00 H new ATOM 0 HA SER A 27 8.193 2.740 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.705 2.339 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.807 3.691 -8.854 1.00 0.00 H new ATOM 0 HG SER A 27 9.920 1.653 -8.793 1.00 0.00 H new ATOM 390 N LEU A 28 8.361 5.895 -7.150 1.00 0.00 N ATOM 391 CA LEU A 28 9.003 7.181 -6.912 1.00 0.00 C ATOM 392 C LEU A 28 8.832 7.566 -5.452 1.00 0.00 C ATOM 393 O LEU A 28 9.818 7.934 -4.812 1.00 0.00 O ATOM 394 CB LEU A 28 8.387 8.281 -7.788 1.00 0.00 C ATOM 395 CG LEU A 28 8.853 8.339 -9.245 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.343 8.674 -9.378 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.504 7.081 -10.033 1.00 0.00 C ATOM 0 H LEU A 28 7.593 5.936 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 28 10.059 7.084 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.304 8.155 -7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.599 9.244 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 28 8.293 9.162 -9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.617 8.702 -10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.539 9.647 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.934 7.912 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.860 7.183 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.979 6.217 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.423 6.942 -10.037 1.00 0.00 H new ATOM 409 N ASP A 29 7.606 7.453 -4.940 1.00 0.00 N ATOM 410 CA ASP A 29 7.258 7.782 -3.563 1.00 0.00 C ATOM 411 C ASP A 29 7.990 6.850 -2.599 1.00 0.00 C ATOM 412 O ASP A 29 8.434 7.297 -1.539 1.00 0.00 O ATOM 413 CB ASP A 29 5.745 7.734 -3.353 1.00 0.00 C ATOM 414 CG ASP A 29 5.043 9.000 -3.854 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.369 9.473 -4.968 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.198 9.563 -3.119 1.00 0.00 O ATOM 0 H ASP A 29 6.811 7.122 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 29 7.578 8.803 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.337 6.867 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.533 7.600 -2.292 1.00 0.00 H new ATOM 421 N ILE A 30 8.147 5.571 -2.961 1.00 0.00 N ATOM 422 CA ILE A 30 8.865 4.579 -2.166 1.00 0.00 C ATOM 423 C ILE A 30 10.321 5.047 -2.112 1.00 0.00 C ATOM 424 O ILE A 30 10.923 5.057 -1.042 1.00 0.00 O ATOM 425 CB ILE A 30 8.691 3.161 -2.776 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.356 2.553 -2.292 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.849 2.199 -2.450 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.914 1.320 -3.087 1.00 0.00 C ATOM 0 H ILE A 30 7.770 5.194 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 30 8.474 4.498 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 30 8.692 3.285 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.451 2.281 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.577 3.313 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.657 1.229 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.782 2.607 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.929 2.079 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.969 0.950 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.785 1.590 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.673 0.542 -3.003 1.00 0.00 H new ATOM 440 N ASN A 31 10.890 5.472 -3.246 1.00 0.00 N ATOM 441 CA ASN A 31 12.268 5.946 -3.303 1.00 0.00 C ATOM 442 C ASN A 31 12.458 7.208 -2.452 1.00 0.00 C ATOM 443 O ASN A 31 13.593 7.467 -2.040 1.00 0.00 O ATOM 444 CB ASN A 31 12.750 6.163 -4.744 1.00 0.00 C ATOM 445 CG ASN A 31 13.270 4.884 -5.387 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.475 4.690 -5.510 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.396 4.018 -5.875 1.00 0.00 N ATOM 0 H ASN A 31 10.406 5.495 -4.144 1.00 0.00 H new ATOM 0 HA ASN A 31 12.892 5.160 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.929 6.558 -5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.539 6.915 -4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.723 3.181 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.396 4.188 -5.768 1.00 0.00 H new ATOM 454 N LYS A 32 11.406 7.999 -2.175 1.00 0.00 N ATOM 455 CA LYS A 32 11.538 9.191 -1.328 1.00 0.00 C ATOM 456 C LYS A 32 11.793 8.764 0.117 1.00 0.00 C ATOM 457 O LYS A 32 12.224 9.597 0.915 1.00 0.00 O ATOM 458 CB LYS A 32 10.274 10.075 -1.311 1.00 0.00 C ATOM 459 CG LYS A 32 9.810 10.695 -2.628 1.00 0.00 C ATOM 460 CD LYS A 32 10.874 11.598 -3.249 1.00 0.00 C ATOM 461 CE LYS A 32 10.249 12.351 -4.425 1.00 0.00 C ATOM 462 NZ LYS A 32 11.278 12.760 -5.397 1.00 0.00 N ATOM 0 H LYS A 32 10.462 7.833 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 32 12.362 9.766 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.453 9.475 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.444 10.886 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.554 9.902 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.902 11.273 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.253 12.302 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.723 11.004 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.511 11.717 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.720 13.231 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.829 13.269 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.968 13.383 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.765 11.917 -5.762 1.00 0.00 H new ATOM 476 N LEU A 33 11.470 7.529 0.508 1.00 0.00 N ATOM 477 CA LEU A 33 11.702 7.070 1.868 1.00 0.00 C ATOM 478 C LEU A 33 13.198 6.859 2.052 1.00 0.00 C ATOM 479 O LEU A 33 13.869 6.400 1.117 1.00 0.00 O ATOM 480 CB LEU A 33 10.996 5.736 2.151 1.00 0.00 C ATOM 481 CG LEU A 33 9.469 5.868 2.202 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.826 4.498 2.047 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.013 6.496 3.525 1.00 0.00 C ATOM 0 H LEU A 33 11.046 6.832 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 33 11.307 7.821 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.268 5.016 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.353 5.336 3.100 1.00 0.00 H new ATOM 0 HG LEU A 33 9.159 6.517 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.741 4.599 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.118 4.065 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.158 3.847 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.926 6.577 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.336 5.869 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.452 7.488 3.627 1.00 0.00 H new ATOM 495 N PRO A 34 13.754 7.221 3.212 1.00 0.00 N ATOM 496 CA PRO A 34 15.164 7.013 3.481 1.00 0.00 C ATOM 497 C PRO A 34 15.372 5.502 3.634 1.00 0.00 C ATOM 498 O PRO A 34 14.427 4.788 3.987 1.00 0.00 O ATOM 499 CB PRO A 34 15.406 7.739 4.804 1.00 0.00 C ATOM 500 CG PRO A 34 14.072 7.601 5.528 1.00 0.00 C ATOM 501 CD PRO A 34 13.083 7.774 4.377 1.00 0.00 C ATOM 0 HA PRO A 34 15.838 7.378 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.220 7.285 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.672 8.784 4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.968 6.632 6.016 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.942 8.361 6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.148 7.250 4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.834 8.824 4.226 1.00 0.00 H new ATOM 509 N GLY A 35 16.600 5.020 3.442 1.00 0.00 N ATOM 510 CA GLY A 35 16.921 3.606 3.579 1.00 0.00 C ATOM 511 C GLY A 35 16.471 3.108 4.950 1.00 0.00 C ATOM 512 O GLY A 35 15.851 2.052 5.044 1.00 0.00 O ATOM 0 H GLY A 35 17.398 5.602 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.428 3.033 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.994 3.453 3.460 1.00 0.00 H new ATOM 516 N GLU A 36 16.670 3.919 5.999 1.00 0.00 N ATOM 517 CA GLU A 36 16.278 3.553 7.354 1.00 0.00 C ATOM 518 C GLU A 36 14.779 3.235 7.480 1.00 0.00 C ATOM 519 O GLU A 36 14.406 2.518 8.407 1.00 0.00 O ATOM 520 CB GLU A 36 16.737 4.604 8.386 1.00 0.00 C ATOM 521 CG GLU A 36 15.956 5.924 8.346 1.00 0.00 C ATOM 522 CD GLU A 36 16.373 6.902 9.447 1.00 0.00 C ATOM 523 OE1 GLU A 36 15.971 6.677 10.616 1.00 0.00 O ATOM 524 OE2 GLU A 36 17.031 7.920 9.131 1.00 0.00 O ATOM 0 H GLU A 36 17.104 4.839 5.926 1.00 0.00 H new ATOM 0 HA GLU A 36 16.801 2.624 7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.649 4.176 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.793 4.817 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.102 6.396 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.891 5.712 8.441 1.00 0.00 H new ATOM 531 N LYS A 37 13.906 3.763 6.610 1.00 0.00 N ATOM 532 CA LYS A 37 12.461 3.496 6.655 1.00 0.00 C ATOM 533 C LYS A 37 12.022 2.537 5.548 1.00 0.00 C ATOM 534 O LYS A 37 10.892 2.056 5.610 1.00 0.00 O ATOM 535 CB LYS A 37 11.650 4.799 6.536 1.00 0.00 C ATOM 536 CG LYS A 37 11.831 5.748 7.731 1.00 0.00 C ATOM 537 CD LYS A 37 11.083 7.078 7.545 1.00 0.00 C ATOM 538 CE LYS A 37 9.562 6.948 7.697 1.00 0.00 C ATOM 539 NZ LYS A 37 9.157 6.709 9.095 1.00 0.00 N ATOM 0 H LYS A 37 14.183 4.389 5.854 1.00 0.00 H new ATOM 0 HA LYS A 37 12.265 3.031 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.943 5.318 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.593 4.551 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.475 5.258 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.893 5.949 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.453 7.799 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.309 7.478 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.084 7.857 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.206 6.129 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.119 6.713 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.521 5.787 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.545 7.459 9.702 1.00 0.00 H new ATOM 553 N LEU A 38 12.857 2.242 4.548 1.00 0.00 N ATOM 554 CA LEU A 38 12.476 1.347 3.457 1.00 0.00 C ATOM 555 C LEU A 38 12.081 -0.035 3.974 1.00 0.00 C ATOM 556 O LEU A 38 11.063 -0.562 3.536 1.00 0.00 O ATOM 557 CB LEU A 38 13.580 1.285 2.396 1.00 0.00 C ATOM 558 CG LEU A 38 13.205 0.451 1.152 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.995 1.034 0.410 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.391 0.400 0.182 1.00 0.00 C ATOM 0 H LEU A 38 13.804 2.613 4.473 1.00 0.00 H new ATOM 0 HA LEU A 38 11.588 1.756 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.825 2.299 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.480 0.865 2.846 1.00 0.00 H new ATOM 0 HG LEU A 38 12.948 -0.549 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.767 0.415 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.134 1.054 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.223 2.048 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.120 -0.190 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.651 1.412 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.247 -0.058 0.677 1.00 0.00 H new ATOM 572 N GLY A 39 12.776 -0.574 4.979 1.00 0.00 N ATOM 573 CA GLY A 39 12.449 -1.888 5.534 1.00 0.00 C ATOM 574 C GLY A 39 11.021 -1.973 6.094 1.00 0.00 C ATOM 575 O GLY A 39 10.498 -3.067 6.308 1.00 0.00 O ATOM 0 H GLY A 39 13.571 -0.118 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.573 -2.643 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.158 -2.126 6.327 1.00 0.00 H new ATOM 579 N ARG A 40 10.360 -0.847 6.393 1.00 0.00 N ATOM 580 CA ARG A 40 8.986 -0.832 6.905 1.00 0.00 C ATOM 581 C ARG A 40 7.994 -1.085 5.771 1.00 0.00 C ATOM 582 O ARG A 40 6.888 -1.549 6.028 1.00 0.00 O ATOM 583 CB ARG A 40 8.713 0.549 7.532 1.00 0.00 C ATOM 584 CG ARG A 40 7.339 0.720 8.197 1.00 0.00 C ATOM 585 CD ARG A 40 7.188 -0.150 9.447 1.00 0.00 C ATOM 586 NE ARG A 40 6.006 0.245 10.224 1.00 0.00 N ATOM 587 CZ ARG A 40 5.630 -0.293 11.389 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.380 -1.212 11.979 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.492 0.100 11.955 1.00 0.00 N ATOM 0 H ARG A 40 10.766 0.082 6.286 1.00 0.00 H new ATOM 0 HA ARG A 40 8.865 -1.617 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.484 0.748 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.817 1.307 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.195 1.767 8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.557 0.464 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.104 -1.197 9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.081 -0.061 10.066 1.00 0.00 H new ATOM 0 HE ARG A 40 5.424 0.991 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.252 -1.514 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.086 -1.617 12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.914 0.807 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.198 -0.305 12.844 1.00 0.00 H new ATOM 603 N VAL A 41 8.364 -0.760 4.535 1.00 0.00 N ATOM 604 CA VAL A 41 7.530 -0.919 3.357 1.00 0.00 C ATOM 605 C VAL A 41 7.247 -2.395 3.146 1.00 0.00 C ATOM 606 O VAL A 41 6.088 -2.790 3.050 1.00 0.00 O ATOM 607 CB VAL A 41 8.239 -0.295 2.138 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.477 -0.494 0.826 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.448 1.211 2.347 1.00 0.00 C ATOM 0 H VAL A 41 9.281 -0.367 4.324 1.00 0.00 H new ATOM 0 HA VAL A 41 6.578 -0.404 3.490 1.00 0.00 H new ATOM 0 HB VAL A 41 9.194 -0.814 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.031 -0.031 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.364 -1.560 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.492 -0.033 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.950 1.633 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.482 1.697 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.061 1.374 3.233 1.00 0.00 H new ATOM 619 N VAL A 42 8.288 -3.225 3.137 1.00 0.00 N ATOM 620 CA VAL A 42 8.152 -4.654 2.917 1.00 0.00 C ATOM 621 C VAL A 42 7.187 -5.318 3.912 1.00 0.00 C ATOM 622 O VAL A 42 6.415 -6.206 3.540 1.00 0.00 O ATOM 623 CB VAL A 42 9.535 -5.324 2.938 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.421 -6.627 2.135 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.700 -4.488 2.385 1.00 0.00 C ATOM 0 H VAL A 42 9.250 -2.920 3.283 1.00 0.00 H new ATOM 0 HA VAL A 42 7.708 -4.795 1.931 1.00 0.00 H new ATOM 0 HB VAL A 42 9.788 -5.477 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.386 -7.134 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.675 -7.274 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.121 -6.399 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.624 -5.063 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.504 -4.235 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.800 -3.573 2.968 1.00 0.00 H new ATOM 635 N HIS A 43 7.167 -4.848 5.166 1.00 0.00 N ATOM 636 CA HIS A 43 6.304 -5.397 6.206 1.00 0.00 C ATOM 637 C HIS A 43 4.818 -5.219 5.866 1.00 0.00 C ATOM 638 O HIS A 43 3.972 -5.910 6.446 1.00 0.00 O ATOM 639 CB HIS A 43 6.655 -4.792 7.572 1.00 0.00 C ATOM 640 CG HIS A 43 7.872 -5.421 8.212 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.924 -5.965 9.476 1.00 0.00 N ATOM 642 CD2 HIS A 43 9.113 -5.576 7.653 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.165 -6.432 9.680 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.943 -6.164 8.616 1.00 0.00 N ATOM 0 H HIS A 43 7.752 -4.075 5.483 1.00 0.00 H new ATOM 0 HA HIS A 43 6.483 -6.471 6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.828 -3.722 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.802 -4.905 8.241 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.400 -5.295 6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.492 -6.949 10.570 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.942 -6.352 8.528 1.00 0.00 H new ATOM 652 N ILE A 44 4.477 -4.301 4.956 1.00 0.00 N ATOM 653 CA ILE A 44 3.102 -4.070 4.534 1.00 0.00 C ATOM 654 C ILE A 44 2.717 -5.275 3.660 1.00 0.00 C ATOM 655 O ILE A 44 1.701 -5.927 3.915 1.00 0.00 O ATOM 656 CB ILE A 44 2.987 -2.708 3.807 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.401 -1.538 4.735 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.556 -2.488 3.283 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.603 -0.196 4.018 1.00 0.00 C ATOM 0 H ILE A 44 5.155 -3.697 4.492 1.00 0.00 H new ATOM 0 HA ILE A 44 2.409 -4.000 5.372 1.00 0.00 H new ATOM 0 HB ILE A 44 3.672 -2.729 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.638 -1.413 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.326 -1.806 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.498 -1.525 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.299 -3.283 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.857 -2.500 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.891 0.565 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.388 -0.298 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.674 0.100 3.531 1.00 0.00 H new ATOM 671 N ILE A 45 3.541 -5.605 2.652 1.00 0.00 N ATOM 672 CA ILE A 45 3.307 -6.730 1.746 1.00 0.00 C ATOM 673 C ILE A 45 3.212 -8.023 2.542 1.00 0.00 C ATOM 674 O ILE A 45 2.313 -8.811 2.268 1.00 0.00 O ATOM 675 CB ILE A 45 4.394 -6.872 0.653 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.501 -5.621 -0.244 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.087 -8.087 -0.243 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.612 -4.688 0.227 1.00 0.00 C ATOM 0 H ILE A 45 4.396 -5.089 2.445 1.00 0.00 H new ATOM 0 HA ILE A 45 2.367 -6.527 1.233 1.00 0.00 H new ATOM 0 HB ILE A 45 5.343 -7.002 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.692 -5.925 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.551 -5.087 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.857 -8.178 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.070 -8.992 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.116 -7.952 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.658 -3.818 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.407 -4.364 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.566 -5.215 0.199 1.00 0.00 H new ATOM 690 N GLN A 46 4.070 -8.233 3.545 1.00 0.00 N ATOM 691 CA GLN A 46 4.046 -9.455 4.345 1.00 0.00 C ATOM 692 C GLN A 46 2.670 -9.761 4.941 1.00 0.00 C ATOM 693 O GLN A 46 2.340 -10.928 5.122 1.00 0.00 O ATOM 694 CB GLN A 46 5.133 -9.402 5.425 1.00 0.00 C ATOM 695 CG GLN A 46 6.512 -9.573 4.772 1.00 0.00 C ATOM 696 CD GLN A 46 7.593 -9.986 5.766 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.780 -9.390 6.827 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.382 -10.972 5.392 1.00 0.00 N ATOM 0 H GLN A 46 4.792 -7.567 3.821 1.00 0.00 H new ATOM 0 HA GLN A 46 4.261 -10.284 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.086 -8.452 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.968 -10.188 6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.445 -10.323 3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.802 -8.636 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.212 -11.455 4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.163 -11.253 5.985 1.00 0.00 H new ATOM 707 N SER A 47 1.852 -8.747 5.229 1.00 0.00 N ATOM 708 CA SER A 47 0.526 -9.004 5.775 1.00 0.00 C ATOM 709 C SER A 47 -0.421 -9.456 4.652 1.00 0.00 C ATOM 710 O SER A 47 -1.399 -10.174 4.882 1.00 0.00 O ATOM 711 CB SER A 47 0.030 -7.733 6.468 1.00 0.00 C ATOM 712 OG SER A 47 -1.293 -7.921 6.922 1.00 0.00 O ATOM 0 H SER A 47 2.081 -7.762 5.096 1.00 0.00 H new ATOM 0 HA SER A 47 0.560 -9.808 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.681 -7.488 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.071 -6.891 5.777 1.00 0.00 H new ATOM 0 HG SER A 47 -1.605 -7.105 7.366 1.00 0.00 H new ATOM 718 N ARG A 48 -0.206 -8.970 3.427 1.00 0.00 N ATOM 719 CA ARG A 48 -1.029 -9.303 2.269 1.00 0.00 C ATOM 720 C ARG A 48 -0.654 -10.667 1.721 1.00 0.00 C ATOM 721 O ARG A 48 -1.553 -11.408 1.337 1.00 0.00 O ATOM 722 CB ARG A 48 -0.914 -8.225 1.181 1.00 0.00 C ATOM 723 CG ARG A 48 -1.101 -6.782 1.681 1.00 0.00 C ATOM 724 CD ARG A 48 -2.452 -6.458 2.342 1.00 0.00 C ATOM 725 NE ARG A 48 -2.586 -7.042 3.688 1.00 0.00 N ATOM 726 CZ ARG A 48 -3.713 -7.500 4.249 1.00 0.00 C ATOM 727 NH1 ARG A 48 -4.904 -7.224 3.736 1.00 0.00 N ATOM 728 NH2 ARG A 48 -3.637 -8.253 5.337 1.00 0.00 N ATOM 0 H ARG A 48 0.555 -8.326 3.212 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.069 -9.339 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.065 -8.307 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.657 -8.427 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.309 -6.563 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.963 -6.107 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.569 -5.376 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.259 -6.828 1.709 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.736 -7.104 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.977 -6.651 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.747 -7.585 4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.727 -8.478 5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.489 -8.607 5.773 1.00 0.00 H new ATOM 742 N GLU A 49 0.625 -11.022 1.758 1.00 0.00 N ATOM 743 CA GLU A 49 1.154 -12.280 1.270 1.00 0.00 C ATOM 744 C GLU A 49 1.533 -13.181 2.457 1.00 0.00 C ATOM 745 O GLU A 49 2.668 -13.119 2.944 1.00 0.00 O ATOM 746 CB GLU A 49 2.329 -11.996 0.320 1.00 0.00 C ATOM 747 CG GLU A 49 1.929 -11.304 -0.992 1.00 0.00 C ATOM 748 CD GLU A 49 0.874 -12.074 -1.816 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.642 -13.286 -1.592 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.199 -11.478 -2.685 1.00 0.00 O ATOM 0 H GLU A 49 1.347 -10.414 2.145 1.00 0.00 H new ATOM 0 HA GLU A 49 0.402 -12.824 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.057 -11.373 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.826 -12.937 0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.541 -10.311 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.821 -11.165 -1.603 1.00 0.00 H new ATOM 757 N PRO A 50 0.615 -14.048 2.935 1.00 0.00 N ATOM 758 CA PRO A 50 0.864 -14.933 4.072 1.00 0.00 C ATOM 759 C PRO A 50 1.973 -15.959 3.828 1.00 0.00 C ATOM 760 O PRO A 50 2.436 -16.586 4.783 1.00 0.00 O ATOM 761 CB PRO A 50 -0.475 -15.615 4.375 1.00 0.00 C ATOM 762 CG PRO A 50 -1.168 -15.603 3.016 1.00 0.00 C ATOM 763 CD PRO A 50 -0.746 -14.250 2.459 1.00 0.00 C ATOM 0 HA PRO A 50 1.229 -14.350 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.338 -16.629 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.047 -15.071 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.838 -16.426 2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.251 -15.686 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.787 -14.243 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.407 -13.457 2.808 1.00 0.00 H new ATOM 771 N SER A 51 2.418 -16.151 2.589 1.00 0.00 N ATOM 772 CA SER A 51 3.480 -17.082 2.245 1.00 0.00 C ATOM 773 C SER A 51 4.820 -16.350 2.098 1.00 0.00 C ATOM 774 O SER A 51 5.856 -17.004 2.014 1.00 0.00 O ATOM 775 CB SER A 51 3.065 -17.895 1.019 1.00 0.00 C ATOM 776 OG SER A 51 1.857 -18.584 1.316 1.00 0.00 O ATOM 0 H SER A 51 2.041 -15.652 1.783 1.00 0.00 H new ATOM 0 HA SER A 51 3.637 -17.797 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.924 -17.239 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.849 -18.604 0.753 1.00 0.00 H new ATOM 0 HG SER A 51 1.579 -19.108 0.536 1.00 0.00 H new ATOM 782 N LEU A 52 4.836 -15.012 2.136 1.00 0.00 N ATOM 783 CA LEU A 52 6.044 -14.186 2.036 1.00 0.00 C ATOM 784 C LEU A 52 6.384 -13.574 3.399 1.00 0.00 C ATOM 785 O LEU A 52 7.486 -13.063 3.601 1.00 0.00 O ATOM 786 CB LEU A 52 5.853 -13.093 0.966 1.00 0.00 C ATOM 787 CG LEU A 52 6.195 -13.496 -0.483 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.653 -13.946 -0.645 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.281 -14.591 -1.047 1.00 0.00 C ATOM 0 H LEU A 52 3.985 -14.459 2.240 1.00 0.00 H new ATOM 0 HA LEU A 52 6.881 -14.815 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.815 -12.763 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.468 -12.235 1.238 1.00 0.00 H new ATOM 0 HG LEU A 52 6.033 -12.582 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.837 -14.218 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.319 -13.132 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.841 -14.809 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.580 -14.824 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.364 -15.487 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.249 -14.242 -1.041 1.00 0.00 H new ATOM 801 N LYS A 53 5.477 -13.670 4.378 1.00 0.00 N ATOM 802 CA LYS A 53 5.650 -13.136 5.721 1.00 0.00 C ATOM 803 C LYS A 53 6.852 -13.693 6.479 1.00 0.00 C ATOM 804 O LYS A 53 7.325 -13.033 7.398 1.00 0.00 O ATOM 805 CB LYS A 53 4.356 -13.366 6.524 1.00 0.00 C ATOM 806 CG LYS A 53 4.216 -14.807 7.030 1.00 0.00 C ATOM 807 CD LYS A 53 2.844 -15.099 7.648 1.00 0.00 C ATOM 808 CE LYS A 53 2.829 -16.482 8.313 1.00 0.00 C ATOM 809 NZ LYS A 53 3.184 -17.572 7.388 1.00 0.00 N ATOM 0 H LYS A 53 4.579 -14.136 4.247 1.00 0.00 H new ATOM 0 HA LYS A 53 5.857 -12.072 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.336 -12.684 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.498 -13.121 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.388 -15.494 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.990 -15.002 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.602 -14.333 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.075 -15.053 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.526 -16.483 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.837 -16.670 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.587 -18.401 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.033 -17.259 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.184 -17.827 7.520 1.00 0.00 H new ATOM 823 N ASN A 54 7.360 -14.875 6.118 1.00 0.00 N ATOM 824 CA ASN A 54 8.487 -15.498 6.814 1.00 0.00 C ATOM 825 C ASN A 54 9.834 -15.228 6.160 1.00 0.00 C ATOM 826 O ASN A 54 10.838 -15.755 6.638 1.00 0.00 O ATOM 827 CB ASN A 54 8.220 -16.996 7.023 1.00 0.00 C ATOM 828 CG ASN A 54 6.907 -17.176 7.765 1.00 0.00 C ATOM 829 OD1 ASN A 54 5.904 -17.560 7.176 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.838 -16.785 9.024 1.00 0.00 N ATOM 0 H ASN A 54 7.002 -15.425 5.337 1.00 0.00 H new ATOM 0 HA ASN A 54 8.561 -15.024 7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.180 -17.507 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.035 -17.446 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.944 -16.801 9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.679 -16.467 9.506 1.00 0.00 H new ATOM 837 N SER A 55 9.882 -14.464 5.069 1.00 0.00 N ATOM 838 CA SER A 55 11.134 -14.133 4.405 1.00 0.00 C ATOM 839 C SER A 55 11.651 -12.797 4.971 1.00 0.00 C ATOM 840 O SER A 55 10.932 -12.101 5.702 1.00 0.00 O ATOM 841 CB SER A 55 10.919 -14.151 2.885 1.00 0.00 C ATOM 842 OG SER A 55 10.613 -15.480 2.479 1.00 0.00 O ATOM 0 H SER A 55 9.057 -14.061 4.626 1.00 0.00 H new ATOM 0 HA SER A 55 11.913 -14.870 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.108 -13.477 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.814 -13.797 2.373 1.00 0.00 H new ATOM 0 HG SER A 55 10.472 -15.502 1.509 1.00 0.00 H new ATOM 848 N ASN A 56 12.908 -12.448 4.699 1.00 0.00 N ATOM 849 CA ASN A 56 13.517 -11.202 5.174 1.00 0.00 C ATOM 850 C ASN A 56 13.043 -10.048 4.286 1.00 0.00 C ATOM 851 O ASN A 56 12.824 -10.281 3.099 1.00 0.00 O ATOM 852 CB ASN A 56 15.054 -11.327 5.187 1.00 0.00 C ATOM 853 CG ASN A 56 15.669 -10.833 6.498 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.077 -10.978 7.569 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.845 -10.236 6.468 1.00 0.00 N ATOM 0 H ASN A 56 13.538 -13.024 4.140 1.00 0.00 H new ATOM 0 HA ASN A 56 13.206 -10.999 6.199 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.332 -12.369 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.469 -10.756 4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.265 -9.894 7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.334 -10.117 5.581 1.00 0.00 H new ATOM 862 N PRO A 57 12.919 -8.805 4.790 1.00 0.00 N ATOM 863 CA PRO A 57 12.454 -7.684 3.985 1.00 0.00 C ATOM 864 C PRO A 57 13.344 -7.422 2.770 1.00 0.00 C ATOM 865 O PRO A 57 12.848 -7.266 1.659 1.00 0.00 O ATOM 866 CB PRO A 57 12.393 -6.474 4.929 1.00 0.00 C ATOM 867 CG PRO A 57 13.299 -6.857 6.091 1.00 0.00 C ATOM 868 CD PRO A 57 13.149 -8.370 6.155 1.00 0.00 C ATOM 0 HA PRO A 57 11.473 -7.900 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.741 -5.567 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.374 -6.283 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.333 -6.561 5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.987 -6.380 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.045 -8.834 6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.318 -8.653 6.801 1.00 0.00 H new ATOM 876 N ASP A 58 14.660 -7.426 2.964 1.00 0.00 N ATOM 877 CA ASP A 58 15.601 -7.167 1.874 1.00 0.00 C ATOM 878 C ASP A 58 15.688 -8.329 0.887 1.00 0.00 C ATOM 879 O ASP A 58 16.298 -8.184 -0.173 1.00 0.00 O ATOM 880 CB ASP A 58 16.996 -6.865 2.438 1.00 0.00 C ATOM 881 CG ASP A 58 17.225 -5.384 2.726 1.00 0.00 C ATOM 882 OD1 ASP A 58 16.259 -4.637 2.996 1.00 0.00 O ATOM 883 OD2 ASP A 58 18.416 -4.994 2.758 1.00 0.00 O ATOM 0 H ASP A 58 15.101 -7.606 3.866 1.00 0.00 H new ATOM 0 HA ASP A 58 15.224 -6.301 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.139 -7.433 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.749 -7.211 1.730 1.00 0.00 H new ATOM 888 N GLU A 59 15.134 -9.492 1.224 1.00 0.00 N ATOM 889 CA GLU A 59 15.159 -10.678 0.376 1.00 0.00 C ATOM 890 C GLU A 59 13.873 -10.793 -0.454 1.00 0.00 C ATOM 891 O GLU A 59 13.790 -11.658 -1.327 1.00 0.00 O ATOM 892 CB GLU A 59 15.405 -11.915 1.255 1.00 0.00 C ATOM 893 CG GLU A 59 16.795 -11.868 1.922 1.00 0.00 C ATOM 894 CD GLU A 59 17.041 -13.012 2.907 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.416 -14.091 2.803 1.00 0.00 O ATOM 896 OE2 GLU A 59 17.819 -12.797 3.863 1.00 0.00 O ATOM 0 H GLU A 59 14.648 -9.637 2.109 1.00 0.00 H new ATOM 0 HA GLU A 59 15.975 -10.600 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.634 -11.976 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.322 -12.816 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.561 -11.896 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.905 -10.919 2.446 1.00 0.00 H new ATOM 903 N ILE A 60 12.865 -9.958 -0.199 1.00 0.00 N ATOM 904 CA ILE A 60 11.595 -9.960 -0.927 1.00 0.00 C ATOM 905 C ILE A 60 11.735 -9.005 -2.120 1.00 0.00 C ATOM 906 O ILE A 60 12.221 -7.881 -1.971 1.00 0.00 O ATOM 907 CB ILE A 60 10.459 -9.581 0.048 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.240 -10.741 1.047 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.131 -9.253 -0.664 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.527 -10.328 2.337 1.00 0.00 C ATOM 0 H ILE A 60 12.909 -9.248 0.532 1.00 0.00 H new ATOM 0 HA ILE A 60 11.343 -10.943 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 60 10.769 -8.673 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.659 -11.523 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.207 -11.174 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.375 -8.995 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.279 -8.411 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.799 -10.121 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.412 -11.198 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.116 -9.569 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.544 -9.923 2.096 1.00 0.00 H new ATOM 922 N GLU A 61 11.274 -9.430 -3.299 1.00 0.00 N ATOM 923 CA GLU A 61 11.339 -8.662 -4.540 1.00 0.00 C ATOM 924 C GLU A 61 9.946 -8.118 -4.843 1.00 0.00 C ATOM 925 O GLU A 61 9.095 -8.809 -5.413 1.00 0.00 O ATOM 926 CB GLU A 61 11.898 -9.543 -5.662 1.00 0.00 C ATOM 927 CG GLU A 61 13.361 -9.906 -5.368 1.00 0.00 C ATOM 928 CD GLU A 61 13.900 -10.981 -6.305 1.00 0.00 C ATOM 929 OE1 GLU A 61 13.209 -12.007 -6.500 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.050 -10.837 -6.782 1.00 0.00 O ATOM 0 H GLU A 61 10.834 -10.343 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 61 12.016 -7.812 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.301 -10.451 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.830 -9.019 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.978 -9.011 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.445 -10.252 -4.338 1.00 0.00 H new ATOM 937 N ILE A 62 9.731 -6.858 -4.470 1.00 0.00 N ATOM 938 CA ILE A 62 8.487 -6.116 -4.620 1.00 0.00 C ATOM 939 C ILE A 62 8.227 -5.901 -6.111 1.00 0.00 C ATOM 940 O ILE A 62 8.980 -5.182 -6.774 1.00 0.00 O ATOM 941 CB ILE A 62 8.638 -4.758 -3.893 1.00 0.00 C ATOM 942 CG1 ILE A 62 8.850 -4.921 -2.368 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.435 -3.825 -4.145 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.493 -3.680 -1.735 1.00 0.00 C ATOM 0 H ILE A 62 10.463 -6.299 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 62 7.648 -6.662 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 62 9.532 -4.301 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.891 -5.115 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.481 -5.790 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.586 -2.885 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.344 -3.629 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.523 -4.302 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.621 -3.842 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.465 -3.500 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.850 -2.815 -1.896 1.00 0.00 H new ATOM 956 N ASP A 63 7.146 -6.470 -6.641 1.00 0.00 N ATOM 957 CA ASP A 63 6.765 -6.344 -8.045 1.00 0.00 C ATOM 958 C ASP A 63 5.339 -5.833 -8.104 1.00 0.00 C ATOM 959 O ASP A 63 4.416 -6.457 -7.586 1.00 0.00 O ATOM 960 CB ASP A 63 6.873 -7.687 -8.778 1.00 0.00 C ATOM 961 CG ASP A 63 8.104 -7.802 -9.663 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.529 -6.798 -10.280 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.585 -8.948 -9.802 1.00 0.00 O ATOM 0 H ASP A 63 6.500 -7.041 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 63 7.443 -5.649 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.888 -8.492 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.982 -7.830 -9.389 1.00 0.00 H new ATOM 968 N PHE A 64 5.107 -4.687 -8.732 1.00 0.00 N ATOM 969 CA PHE A 64 3.760 -4.112 -8.828 1.00 0.00 C ATOM 970 C PHE A 64 2.950 -4.853 -9.903 1.00 0.00 C ATOM 971 O PHE A 64 1.816 -4.512 -10.234 1.00 0.00 O ATOM 972 CB PHE A 64 3.859 -2.600 -9.051 1.00 0.00 C ATOM 973 CG PHE A 64 4.811 -1.875 -8.106 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.770 -2.095 -6.712 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.765 -0.983 -8.627 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.671 -1.434 -5.856 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.687 -0.353 -7.775 1.00 0.00 C ATOM 978 CZ PHE A 64 6.646 -0.574 -6.391 1.00 0.00 C ATOM 0 H PHE A 64 5.833 -4.132 -9.185 1.00 0.00 H new ATOM 0 HA PHE A 64 3.215 -4.248 -7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.180 -2.419 -10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.865 -2.166 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.041 -2.776 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.789 -0.781 -9.688 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.613 -1.587 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.434 0.308 -8.190 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.358 -0.087 -5.741 1.00 0.00 H new ATOM 988 N GLU A 65 3.571 -5.882 -10.465 1.00 0.00 N ATOM 989 CA GLU A 65 3.121 -6.772 -11.503 1.00 0.00 C ATOM 990 C GLU A 65 2.627 -8.112 -10.955 1.00 0.00 C ATOM 991 O GLU A 65 2.066 -8.910 -11.708 1.00 0.00 O ATOM 992 CB GLU A 65 4.313 -6.904 -12.449 1.00 0.00 C ATOM 993 CG GLU A 65 4.591 -5.554 -13.114 1.00 0.00 C ATOM 994 CD GLU A 65 5.585 -5.682 -14.262 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.811 -5.636 -14.013 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.123 -5.762 -15.427 1.00 0.00 O ATOM 0 H GLU A 65 4.512 -6.133 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 65 2.247 -6.382 -12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.192 -7.238 -11.898 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.107 -7.659 -13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.657 -5.134 -13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.980 -4.857 -12.372 1.00 0.00 H new ATOM 1003 N THR A 66 2.824 -8.348 -9.659 1.00 0.00 N ATOM 1004 CA THR A 66 2.399 -9.543 -8.948 1.00 0.00 C ATOM 1005 C THR A 66 1.615 -9.108 -7.696 1.00 0.00 C ATOM 1006 O THR A 66 0.736 -9.836 -7.222 1.00 0.00 O ATOM 1007 CB THR A 66 3.633 -10.435 -8.694 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.283 -11.786 -8.490 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.477 -9.976 -7.507 1.00 0.00 C ATOM 0 H THR A 66 3.304 -7.681 -9.055 1.00 0.00 H new ATOM 0 HA THR A 66 1.712 -10.164 -9.524 1.00 0.00 H new ATOM 0 HB THR A 66 4.227 -10.340 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.094 -12.314 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.328 -10.646 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.836 -8.963 -7.686 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.870 -9.991 -6.602 1.00 0.00 H new ATOM 1017 N LEU A 67 1.901 -7.907 -7.164 1.00 0.00 N ATOM 1018 CA LEU A 67 1.231 -7.368 -5.987 1.00 0.00 C ATOM 1019 C LEU A 67 -0.123 -6.836 -6.436 1.00 0.00 C ATOM 1020 O LEU A 67 -0.239 -6.096 -7.418 1.00 0.00 O ATOM 1021 CB LEU A 67 2.092 -6.318 -5.277 1.00 0.00 C ATOM 1022 CG LEU A 67 3.370 -6.910 -4.644 1.00 0.00 C ATOM 1023 CD1 LEU A 67 4.162 -5.770 -3.997 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.093 -8.026 -3.631 1.00 0.00 C ATOM 0 H LEU A 67 2.611 -7.284 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 67 1.076 -8.146 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.373 -5.544 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.499 -5.835 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 67 3.949 -7.381 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.070 -6.169 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.428 -5.035 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.552 -5.293 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.037 -8.394 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.479 -7.636 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.566 -8.843 -4.124 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.152 -7.238 -5.698 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.552 -6.925 -5.953 1.00 0.00 C ATOM 1038 C LYS A 68 -2.860 -5.442 -5.793 1.00 0.00 C ATOM 1039 O LYS A 68 -2.195 -4.770 -5.004 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.430 -7.785 -5.009 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.585 -9.262 -5.433 1.00 0.00 C ATOM 1042 CD LYS A 68 -2.240 -9.961 -5.665 1.00 0.00 C ATOM 1043 CE LYS A 68 -2.291 -11.429 -6.066 1.00 0.00 C ATOM 1044 NZ LYS A 68 -0.911 -11.941 -6.221 1.00 0.00 N ATOM 0 H LYS A 68 -1.026 -7.817 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.777 -7.163 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.001 -7.753 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.420 -7.334 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.140 -9.799 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.177 -9.312 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.702 -9.415 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.652 -9.878 -4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.823 -12.006 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.841 -11.544 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.908 -12.730 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.296 -11.180 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.559 -12.273 -5.301 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.926 -4.939 -6.450 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.346 -3.540 -6.357 1.00 0.00 C ATOM 1060 C PRO A 69 -4.547 -3.117 -4.900 1.00 0.00 C ATOM 1061 O PRO A 69 -4.277 -1.976 -4.531 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.638 -3.430 -7.173 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.083 -4.870 -7.407 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.776 -5.650 -7.395 1.00 0.00 C ATOM 0 HA PRO A 69 -3.584 -2.867 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.398 -2.865 -6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.466 -2.912 -8.117 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.762 -5.212 -6.626 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.607 -4.979 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.935 -6.683 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.325 -5.681 -8.387 1.00 0.00 H new ATOM 1072 N SER A 70 -5.016 -4.044 -4.067 1.00 0.00 N ATOM 1073 CA SER A 70 -5.261 -3.823 -2.658 1.00 0.00 C ATOM 1074 C SER A 70 -3.955 -3.666 -1.875 1.00 0.00 C ATOM 1075 O SER A 70 -3.883 -2.867 -0.948 1.00 0.00 O ATOM 1076 CB SER A 70 -6.098 -5.001 -2.146 1.00 0.00 C ATOM 1077 OG SER A 70 -5.670 -6.225 -2.748 1.00 0.00 O ATOM 0 H SER A 70 -5.239 -4.992 -4.369 1.00 0.00 H new ATOM 0 HA SER A 70 -5.804 -2.890 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.009 -5.073 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.151 -4.829 -2.369 1.00 0.00 H new ATOM 0 HG SER A 70 -6.215 -6.965 -2.407 1.00 0.00 H new ATOM 1083 N THR A 71 -2.911 -4.416 -2.230 1.00 0.00 N ATOM 1084 CA THR A 71 -1.629 -4.325 -1.551 1.00 0.00 C ATOM 1085 C THR A 71 -1.064 -2.929 -1.795 1.00 0.00 C ATOM 1086 O THR A 71 -0.658 -2.244 -0.855 1.00 0.00 O ATOM 1087 CB THR A 71 -0.683 -5.416 -2.080 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.197 -6.712 -1.841 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.716 -5.328 -1.456 1.00 0.00 C ATOM 0 H THR A 71 -2.934 -5.096 -2.990 1.00 0.00 H new ATOM 0 HA THR A 71 -1.743 -4.483 -0.479 1.00 0.00 H new ATOM 0 HB THR A 71 -0.605 -5.242 -3.153 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.572 -7.381 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.346 -6.120 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.157 -4.359 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.640 -5.443 -0.375 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.093 -2.478 -3.054 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.568 -1.172 -3.416 1.00 0.00 C ATOM 1099 C LEU A 72 -1.287 -0.037 -2.700 1.00 0.00 C ATOM 1100 O LEU A 72 -0.662 0.981 -2.433 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.567 -0.954 -4.926 1.00 0.00 C ATOM 1102 CG LEU A 72 0.006 -2.109 -5.766 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.015 -1.716 -7.235 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.405 -2.561 -5.349 1.00 0.00 C ATOM 0 H LEU A 72 -1.478 -3.007 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 72 0.469 -1.159 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.591 -0.768 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.005 -0.052 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.650 -2.961 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.421 -2.535 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.003 -1.502 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.633 -0.829 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.731 -3.378 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.100 -1.726 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.384 -2.902 -4.314 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.573 -0.183 -2.362 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.304 0.866 -1.650 1.00 0.00 C ATOM 1118 C ARG A 73 -2.665 1.150 -0.302 1.00 0.00 C ATOM 1119 O ARG A 73 -2.629 2.305 0.114 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.766 0.446 -1.417 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.644 0.814 -2.606 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.072 2.281 -2.502 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.323 2.442 -1.743 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.836 3.613 -1.353 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.099 4.716 -1.329 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -9.110 3.661 -0.992 1.00 0.00 N ATOM 0 H ARG A 73 -3.126 -1.015 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.271 1.763 -2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.815 -0.629 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.147 0.930 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.100 0.650 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.523 0.170 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.280 2.856 -2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.201 2.692 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.837 1.596 -1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.120 4.681 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.512 5.599 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.679 2.815 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.522 4.544 -0.691 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.197 0.104 0.372 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.576 0.234 1.681 1.00 0.00 C ATOM 1142 C GLU A 74 -0.197 0.861 1.537 1.00 0.00 C ATOM 1143 O GLU A 74 0.180 1.728 2.324 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.511 -1.129 2.381 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.907 -1.737 2.586 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.068 -2.364 3.968 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -3.110 -1.622 4.979 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -3.238 -3.599 4.064 1.00 0.00 O ATOM 0 H GLU A 74 -2.238 -0.854 0.025 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.181 0.891 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.901 -1.812 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.019 -1.018 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.662 -0.962 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.087 -2.494 1.823 1.00 0.00 H new ATOM 1155 N LEU A 75 0.548 0.436 0.513 1.00 0.00 N ATOM 1156 CA LEU A 75 1.879 0.957 0.245 1.00 0.00 C ATOM 1157 C LEU A 75 1.753 2.458 -0.028 1.00 0.00 C ATOM 1158 O LEU A 75 2.463 3.249 0.600 1.00 0.00 O ATOM 1159 CB LEU A 75 2.537 0.215 -0.925 1.00 0.00 C ATOM 1160 CG LEU A 75 2.721 -1.301 -0.731 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.194 -1.947 -2.034 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.720 -1.621 0.375 1.00 0.00 C ATOM 0 H LEU A 75 0.241 -0.277 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 75 2.527 0.799 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.936 0.379 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.514 0.661 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 75 1.751 -1.705 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.320 -3.019 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.454 -1.775 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.146 -1.508 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.817 -2.702 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.690 -1.191 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.368 -1.199 1.316 1.00 0.00 H new ATOM 1174 N GLU A 76 0.824 2.841 -0.914 1.00 0.00 N ATOM 1175 CA GLU A 76 0.522 4.216 -1.290 1.00 0.00 C ATOM 1176 C GLU A 76 0.187 5.036 -0.040 1.00 0.00 C ATOM 1177 O GLU A 76 0.690 6.146 0.128 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.646 4.239 -2.296 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.942 5.677 -2.742 1.00 0.00 C ATOM 1180 CD GLU A 76 -2.041 5.799 -3.802 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -1.773 5.698 -5.023 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -3.186 6.131 -3.423 1.00 0.00 O ATOM 0 H GLU A 76 0.240 2.165 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 76 1.394 4.662 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.399 3.626 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.535 3.803 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.230 6.263 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.026 6.118 -3.134 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.656 4.496 0.841 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.056 5.166 2.073 1.00 0.00 C ATOM 1191 C ARG A 77 0.165 5.443 2.942 1.00 0.00 C ATOM 1192 O ARG A 77 0.331 6.579 3.400 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.161 4.369 2.799 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.099 5.313 3.564 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.329 4.596 4.142 1.00 0.00 C ATOM 1196 NE ARG A 77 -5.265 5.561 4.747 1.00 0.00 N ATOM 1197 CZ ARG A 77 -6.418 5.290 5.381 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.852 4.044 5.552 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -7.135 6.295 5.859 1.00 0.00 N ATOM 0 H ARG A 77 -1.081 3.577 0.717 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.495 6.135 1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.733 3.789 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.709 3.659 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.546 5.787 4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.429 6.109 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.834 4.039 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.013 3.871 4.892 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.008 6.546 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.305 3.260 5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.732 3.873 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.809 7.255 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.013 6.110 6.343 1.00 0.00 H new ATOM 1213 N TYR A 78 1.044 4.458 3.155 1.00 0.00 N ATOM 1214 CA TYR A 78 2.243 4.646 3.970 1.00 0.00 C ATOM 1215 C TYR A 78 3.138 5.731 3.370 1.00 0.00 C ATOM 1216 O TYR A 78 3.453 6.695 4.071 1.00 0.00 O ATOM 1217 CB TYR A 78 3.020 3.334 4.177 1.00 0.00 C ATOM 1218 CG TYR A 78 4.327 3.497 4.954 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.311 3.725 6.346 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.567 3.433 4.288 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.511 3.898 7.065 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.769 3.611 4.999 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.751 3.853 6.389 1.00 0.00 C ATOM 1224 OH TYR A 78 7.930 4.062 7.044 1.00 0.00 O ATOM 0 H TYR A 78 0.944 3.518 2.771 1.00 0.00 H new ATOM 0 HA TYR A 78 1.916 4.975 4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.382 2.626 4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.241 2.898 3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.366 3.768 6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.596 3.246 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.483 4.065 8.132 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.713 3.562 4.476 1.00 0.00 H new ATOM 0 HH TYR A 78 8.647 3.569 6.593 1.00 0.00 H new ATOM 1234 N VAL A 79 3.528 5.628 2.091 1.00 0.00 N ATOM 1235 CA VAL A 79 4.399 6.633 1.482 1.00 0.00 C ATOM 1236 C VAL A 79 3.779 8.022 1.546 1.00 0.00 C ATOM 1237 O VAL A 79 4.460 8.955 1.962 1.00 0.00 O ATOM 1238 CB VAL A 79 4.837 6.289 0.046 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.581 4.961 -0.031 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.706 6.222 -0.987 1.00 0.00 C ATOM 0 H VAL A 79 3.256 4.867 1.468 1.00 0.00 H new ATOM 0 HA VAL A 79 5.309 6.631 2.082 1.00 0.00 H new ATOM 0 HB VAL A 79 5.485 7.128 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.868 4.764 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.475 5.008 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.933 4.160 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.120 5.973 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.988 5.457 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.204 7.188 -1.041 1.00 0.00 H new ATOM 1250 N THR A 80 2.501 8.165 1.191 1.00 0.00 N ATOM 1251 CA THR A 80 1.822 9.449 1.211 1.00 0.00 C ATOM 1252 C THR A 80 1.873 10.023 2.622 1.00 0.00 C ATOM 1253 O THR A 80 2.153 11.203 2.782 1.00 0.00 O ATOM 1254 CB THR A 80 0.380 9.286 0.696 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.401 8.710 -0.593 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.341 10.630 0.585 1.00 0.00 C ATOM 0 H THR A 80 1.913 7.391 0.883 1.00 0.00 H new ATOM 0 HA THR A 80 2.323 10.154 0.547 1.00 0.00 H new ATOM 0 HB THR A 80 -0.147 8.653 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.265 7.742 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.355 10.470 0.218 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.381 11.104 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.198 11.276 -0.108 1.00 0.00 H new ATOM 1264 N SER A 81 1.655 9.210 3.652 1.00 0.00 N ATOM 1265 CA SER A 81 1.661 9.670 5.037 1.00 0.00 C ATOM 1266 C SER A 81 3.064 10.085 5.496 1.00 0.00 C ATOM 1267 O SER A 81 3.201 10.912 6.397 1.00 0.00 O ATOM 1268 CB SER A 81 1.086 8.581 5.951 1.00 0.00 C ATOM 1269 OG SER A 81 -0.165 8.107 5.466 1.00 0.00 O ATOM 0 H SER A 81 1.469 8.212 3.549 1.00 0.00 H new ATOM 0 HA SER A 81 1.031 10.557 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.790 7.752 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.961 8.977 6.959 1.00 0.00 H new ATOM 0 HG SER A 81 -0.014 7.480 4.728 1.00 0.00 H new ATOM 1275 N CYS A 82 4.119 9.520 4.903 1.00 0.00 N ATOM 1276 CA CYS A 82 5.494 9.863 5.249 1.00 0.00 C ATOM 1277 C CYS A 82 5.906 11.207 4.632 1.00 0.00 C ATOM 1278 O CYS A 82 6.868 11.824 5.092 1.00 0.00 O ATOM 1279 CB CYS A 82 6.436 8.753 4.772 1.00 0.00 C ATOM 1280 SG CYS A 82 6.103 7.237 5.713 1.00 0.00 S ATOM 0 H CYS A 82 4.041 8.814 4.171 1.00 0.00 H new ATOM 0 HA CYS A 82 5.562 9.959 6.333 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.293 8.572 3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.474 9.058 4.907 1.00 0.00 H new ATOM 0 HG CYS A 82 5.013 6.683 5.272 1.00 0.00 H new ATOM 1286 N LEU A 83 5.162 11.671 3.624 1.00 0.00 N ATOM 1287 CA LEU A 83 5.371 12.908 2.874 1.00 0.00 C ATOM 1288 C LEU A 83 4.427 14.019 3.353 1.00 0.00 C ATOM 1289 O LEU A 83 4.873 15.116 3.706 1.00 0.00 O ATOM 1290 CB LEU A 83 5.153 12.602 1.375 1.00 0.00 C ATOM 1291 CG LEU A 83 6.093 11.512 0.819 1.00 0.00 C ATOM 1292 CD1 LEU A 83 5.609 10.992 -0.536 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.528 12.030 0.664 1.00 0.00 C ATOM 0 H LEU A 83 4.346 11.158 3.290 1.00 0.00 H new ATOM 0 HA LEU A 83 6.386 13.270 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.120 12.289 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.296 13.518 0.802 1.00 0.00 H new ATOM 0 HG LEU A 83 6.081 10.698 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.295 10.226 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.612 10.565 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.575 11.815 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.161 11.235 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.537 12.876 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.907 12.348 1.635 1.00 0.00 H new