USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 516 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 18 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 20 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.203) USER MOD Single : A 41 GLN : amide:sc= -0.615 K(o=-0.61,f=-2.2) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -0.948 K(o=-0.95,f=-6.8!) USER MOD Single : A 54 SER OG : rot 7:sc= 0.648 USER MOD Single : A 57 GLN : amide:sc= -0.792 X(o=-0.79,f=-0.47) USER MOD Single : A 61 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.71) USER MOD Single : A 73 ASN : amide:sc= -0.245 K(o=-0.24,f=-1.8) USER MOD Single : A 76 SER OG : rot 180:sc= -0.706 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.012) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.015 USER MOD ----------------------------------------------------------------- ATOM 198 N ARG A 16 5.026 -14.655 6.583 1.00 0.00 N ATOM 199 CA ARG A 16 4.679 -13.251 6.444 1.00 0.00 C ATOM 200 C ARG A 16 5.680 -12.545 5.527 1.00 0.00 C ATOM 201 O ARG A 16 6.887 -12.604 5.758 1.00 0.00 O ATOM 202 CB ARG A 16 4.662 -12.550 7.804 1.00 0.00 C ATOM 203 CG ARG A 16 3.384 -12.882 8.576 1.00 0.00 C ATOM 204 CD ARG A 16 2.540 -11.627 8.805 1.00 0.00 C ATOM 205 NE ARG A 16 2.041 -11.599 10.198 1.00 0.00 N ATOM 206 CZ ARG A 16 2.830 -11.488 11.276 1.00 0.00 C ATOM 207 NH1 ARG A 16 4.158 -11.395 11.127 1.00 0.00 N ATOM 208 NH2 ARG A 16 2.290 -11.471 12.502 1.00 0.00 N ATOM 0 HA ARG A 16 3.681 -13.198 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.532 -12.855 8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.736 -11.472 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.802 -13.620 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.641 -13.332 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.136 -10.737 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.701 -11.611 8.109 1.00 0.00 H new ATOM 0 HE ARG A 16 1.034 -11.668 10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.569 -11.409 10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.759 -11.311 11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.279 -11.543 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.890 -11.387 13.322 1.00 0.00 H new ATOM 222 N ILE A 17 5.142 -11.895 4.506 1.00 0.00 N ATOM 223 CA ILE A 17 5.973 -11.179 3.553 1.00 0.00 C ATOM 224 C ILE A 17 5.892 -9.678 3.839 1.00 0.00 C ATOM 225 O ILE A 17 5.014 -9.229 4.574 1.00 0.00 O ATOM 226 CB ILE A 17 5.589 -11.553 2.120 1.00 0.00 C ATOM 227 CG1 ILE A 17 4.191 -11.037 1.774 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.715 -13.062 1.895 1.00 0.00 C ATOM 229 CD1 ILE A 17 4.216 -9.532 1.497 1.00 0.00 C ATOM 0 H ILE A 17 4.141 -11.849 4.318 1.00 0.00 H new ATOM 0 HA ILE A 17 7.018 -11.470 3.665 1.00 0.00 H new ATOM 0 HB ILE A 17 6.289 -11.066 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.810 -11.565 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.508 -11.248 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.436 -13.301 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.745 -13.372 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.054 -13.589 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.210 -9.190 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.574 -9.005 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.882 -9.327 0.658 1.00 0.00 H new ATOM 241 N THR A 18 6.820 -8.944 3.244 1.00 0.00 N ATOM 242 CA THR A 18 6.865 -7.503 3.425 1.00 0.00 C ATOM 243 C THR A 18 7.261 -6.813 2.118 1.00 0.00 C ATOM 244 O THR A 18 7.815 -7.446 1.221 1.00 0.00 O ATOM 245 CB THR A 18 7.818 -7.202 4.584 1.00 0.00 C ATOM 246 OG1 THR A 18 7.361 -8.046 5.638 1.00 0.00 O ATOM 247 CG2 THR A 18 7.640 -5.786 5.136 1.00 0.00 C ATOM 0 H THR A 18 7.547 -9.320 2.636 1.00 0.00 H new ATOM 0 HA THR A 18 5.883 -7.106 3.681 1.00 0.00 H new ATOM 0 HB THR A 18 8.847 -7.335 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.925 -7.916 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.340 -5.625 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.833 -5.060 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.620 -5.663 5.500 1.00 0.00 H new ATOM 255 N PHE A 19 6.961 -5.524 2.053 1.00 0.00 N ATOM 256 CA PHE A 19 7.279 -4.741 0.871 1.00 0.00 C ATOM 257 C PHE A 19 7.383 -3.253 1.211 1.00 0.00 C ATOM 258 O PHE A 19 6.932 -2.821 2.271 1.00 0.00 O ATOM 259 CB PHE A 19 6.134 -4.946 -0.122 1.00 0.00 C ATOM 260 CG PHE A 19 4.752 -4.608 0.442 1.00 0.00 C ATOM 261 CD1 PHE A 19 4.046 -5.552 1.122 1.00 0.00 C ATOM 262 CD2 PHE A 19 4.230 -3.365 0.265 1.00 0.00 C ATOM 263 CE1 PHE A 19 2.764 -5.238 1.646 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.948 -3.052 0.789 1.00 0.00 C ATOM 265 CZ PHE A 19 2.242 -3.995 1.468 1.00 0.00 C ATOM 0 H PHE A 19 6.501 -5.003 2.799 1.00 0.00 H new ATOM 0 HA PHE A 19 8.237 -5.060 0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.316 -4.330 -1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.136 -5.984 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.460 -6.539 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.791 -2.616 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.203 -5.987 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.534 -2.065 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.267 -3.757 1.866 1.00 0.00 H new ATOM 275 N GLN A 20 7.980 -2.509 0.291 1.00 0.00 N ATOM 276 CA GLN A 20 8.149 -1.078 0.480 1.00 0.00 C ATOM 277 C GLN A 20 7.096 -0.309 -0.321 1.00 0.00 C ATOM 278 O GLN A 20 6.515 -0.844 -1.263 1.00 0.00 O ATOM 279 CB GLN A 20 9.562 -0.637 0.094 1.00 0.00 C ATOM 280 CG GLN A 20 10.560 -0.959 1.208 1.00 0.00 C ATOM 281 CD GLN A 20 11.668 -1.884 0.701 1.00 0.00 C ATOM 282 OE1 GLN A 20 11.844 -2.998 1.168 1.00 0.00 O ATOM 283 NE2 GLN A 20 12.402 -1.364 -0.278 1.00 0.00 N ATOM 0 H GLN A 20 8.353 -2.870 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 20 8.010 -0.852 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.864 -1.137 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.570 0.434 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.998 -0.036 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.040 -1.431 2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.201 -0.425 -0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.166 -1.904 -0.685 1.00 0.00 H new ATOM 292 N LEU A 21 6.883 0.935 0.084 1.00 0.00 N ATOM 293 CA LEU A 21 5.911 1.783 -0.585 1.00 0.00 C ATOM 294 C LEU A 21 6.543 3.146 -0.873 1.00 0.00 C ATOM 295 O LEU A 21 7.257 3.693 -0.035 1.00 0.00 O ATOM 296 CB LEU A 21 4.620 1.864 0.232 1.00 0.00 C ATOM 297 CG LEU A 21 3.325 1.569 -0.529 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.101 1.959 0.300 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.329 2.247 -1.901 1.00 0.00 C ATOM 0 H LEU A 21 7.367 1.376 0.867 1.00 0.00 H new ATOM 0 HA LEU A 21 5.627 1.354 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.696 1.165 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.547 2.864 0.661 1.00 0.00 H new ATOM 0 HG LEU A 21 3.267 0.494 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.195 1.739 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.096 1.392 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.139 3.025 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.398 2.022 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.421 3.326 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.171 1.877 -2.487 1.00 0.00 H new ATOM 311 N GLU A 22 6.257 3.656 -2.062 1.00 0.00 N ATOM 312 CA GLU A 22 6.788 4.944 -2.472 1.00 0.00 C ATOM 313 C GLU A 22 5.787 6.057 -2.153 1.00 0.00 C ATOM 314 O GLU A 22 4.676 6.067 -2.681 1.00 0.00 O ATOM 315 CB GLU A 22 7.149 4.941 -3.959 1.00 0.00 C ATOM 316 CG GLU A 22 8.547 5.520 -4.185 1.00 0.00 C ATOM 317 CD GLU A 22 9.233 4.848 -5.376 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.444 3.619 -5.290 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.530 5.579 -6.346 1.00 0.00 O ATOM 0 H GLU A 22 5.664 3.200 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 22 7.703 5.133 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.107 3.923 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.416 5.524 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.476 6.594 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.151 5.383 -3.288 1.00 0.00 H new ATOM 326 N LEU A 23 6.216 6.967 -1.291 1.00 0.00 N ATOM 327 CA LEU A 23 5.372 8.081 -0.896 1.00 0.00 C ATOM 328 C LEU A 23 5.585 9.246 -1.864 1.00 0.00 C ATOM 329 O LEU A 23 6.146 10.274 -1.488 1.00 0.00 O ATOM 330 CB LEU A 23 5.617 8.445 0.570 1.00 0.00 C ATOM 331 CG LEU A 23 4.811 7.655 1.602 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.553 7.581 2.938 1.00 0.00 C ATOM 333 CD2 LEU A 23 3.404 8.236 1.760 1.00 0.00 C ATOM 0 H LEU A 23 7.138 6.955 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 23 4.320 7.803 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.677 8.309 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.398 9.505 0.702 1.00 0.00 H new ATOM 0 HG LEU A 23 4.699 6.633 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.958 7.014 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.514 7.088 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.716 8.589 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.852 7.656 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.473 9.273 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.883 8.194 0.803 1.00 0.00 H new ATOM 345 N VAL A 24 5.127 9.046 -3.090 1.00 0.00 N ATOM 346 CA VAL A 24 5.261 10.067 -4.115 1.00 0.00 C ATOM 347 C VAL A 24 4.996 11.442 -3.497 1.00 0.00 C ATOM 348 O VAL A 24 5.858 12.318 -3.531 1.00 0.00 O ATOM 349 CB VAL A 24 4.335 9.753 -5.292 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.419 10.843 -6.363 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.649 8.377 -5.884 1.00 0.00 C ATOM 0 H VAL A 24 4.662 8.192 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 24 6.276 10.078 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 24 3.312 9.731 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.751 10.595 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.124 11.800 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.442 10.912 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.977 8.178 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.680 8.359 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.514 7.612 -5.119 1.00 0.00 H new ATOM 426 N VAL A 29 10.720 6.162 1.776 1.00 0.00 N ATOM 427 CA VAL A 29 10.271 4.814 1.473 1.00 0.00 C ATOM 428 C VAL A 29 9.776 4.145 2.757 1.00 0.00 C ATOM 429 O VAL A 29 10.513 4.051 3.736 1.00 0.00 O ATOM 430 CB VAL A 29 11.391 4.031 0.785 1.00 0.00 C ATOM 431 CG1 VAL A 29 10.967 2.584 0.522 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.825 4.719 -0.511 1.00 0.00 C ATOM 0 HA VAL A 29 9.434 4.839 0.775 1.00 0.00 H new ATOM 0 HB VAL A 29 12.248 4.012 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.781 2.050 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.730 2.097 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.087 2.574 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.622 4.142 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.975 4.784 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.187 5.722 -0.287 1.00 0.00 H new ATOM 442 N VAL A 30 8.529 3.698 2.710 1.00 0.00 N ATOM 443 CA VAL A 30 7.927 3.041 3.858 1.00 0.00 C ATOM 444 C VAL A 30 7.862 1.534 3.601 1.00 0.00 C ATOM 445 O VAL A 30 7.930 1.092 2.455 1.00 0.00 O ATOM 446 CB VAL A 30 6.558 3.656 4.154 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.702 4.968 4.928 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.760 3.865 2.865 1.00 0.00 C ATOM 0 H VAL A 30 7.920 3.778 1.896 1.00 0.00 H new ATOM 0 HA VAL A 30 8.537 3.193 4.749 1.00 0.00 H new ATOM 0 HB VAL A 30 6.005 2.956 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.714 5.384 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.212 4.779 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.283 5.677 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.791 4.303 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.308 4.535 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.612 2.906 2.369 1.00 0.00 H new ATOM 458 N ARG A 31 7.731 0.786 4.687 1.00 0.00 N ATOM 459 CA ARG A 31 7.656 -0.662 4.594 1.00 0.00 C ATOM 460 C ARG A 31 6.318 -1.161 5.143 1.00 0.00 C ATOM 461 O ARG A 31 5.778 -0.587 6.087 1.00 0.00 O ATOM 462 CB ARG A 31 8.797 -1.324 5.370 1.00 0.00 C ATOM 463 CG ARG A 31 8.834 -2.831 5.111 1.00 0.00 C ATOM 464 CD ARG A 31 9.673 -3.549 6.170 1.00 0.00 C ATOM 465 NE ARG A 31 10.474 -4.622 5.540 1.00 0.00 N ATOM 466 CZ ARG A 31 11.107 -5.585 6.222 1.00 0.00 C ATOM 467 NH1 ARG A 31 11.037 -5.616 7.560 1.00 0.00 N ATOM 468 NH2 ARG A 31 11.811 -6.518 5.566 1.00 0.00 N ATOM 0 H ARG A 31 7.675 1.156 5.636 1.00 0.00 H new ATOM 0 HA ARG A 31 7.744 -0.931 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.747 -0.878 5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.672 -1.138 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.819 -3.229 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.249 -3.023 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.331 -2.837 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.023 -3.971 6.936 1.00 0.00 H new ATOM 0 HE ARG A 31 10.549 -4.628 4.523 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.501 -4.906 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.519 -6.350 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.864 -6.494 4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.293 -7.252 6.085 1.00 0.00 H new ATOM 482 N ILE A 32 5.822 -2.224 4.528 1.00 0.00 N ATOM 483 CA ILE A 32 4.557 -2.807 4.943 1.00 0.00 C ATOM 484 C ILE A 32 4.723 -4.320 5.096 1.00 0.00 C ATOM 485 O ILE A 32 5.153 -4.998 4.164 1.00 0.00 O ATOM 486 CB ILE A 32 3.439 -2.405 3.979 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.469 -0.901 3.702 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.076 -2.866 4.497 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.215 -0.458 2.943 1.00 0.00 C ATOM 0 H ILE A 32 6.273 -2.697 3.745 1.00 0.00 H new ATOM 0 HA ILE A 32 4.261 -2.419 5.917 1.00 0.00 H new ATOM 0 HB ILE A 32 3.609 -2.911 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.541 -0.356 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.357 -0.652 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.299 -2.567 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.074 -3.951 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.882 -2.409 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.261 0.615 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.159 -0.987 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.330 -0.686 3.537 1.00 0.00 H new ATOM 501 N SER A 33 4.374 -4.805 6.279 1.00 0.00 N ATOM 502 CA SER A 33 4.480 -6.226 6.565 1.00 0.00 C ATOM 503 C SER A 33 3.091 -6.809 6.837 1.00 0.00 C ATOM 504 O SER A 33 2.274 -6.186 7.513 1.00 0.00 O ATOM 505 CB SER A 33 5.404 -6.480 7.757 1.00 0.00 C ATOM 506 OG SER A 33 4.903 -5.896 8.956 1.00 0.00 O ATOM 0 H SER A 33 4.018 -4.240 7.050 1.00 0.00 H new ATOM 0 HA SER A 33 4.911 -6.720 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.524 -7.554 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.393 -6.074 7.542 1.00 0.00 H new ATOM 0 HG SER A 33 5.521 -6.082 9.694 1.00 0.00 H new ATOM 512 N ALA A 34 2.868 -7.997 6.296 1.00 0.00 N ATOM 513 CA ALA A 34 1.593 -8.672 6.471 1.00 0.00 C ATOM 514 C ALA A 34 1.642 -10.035 5.779 1.00 0.00 C ATOM 515 O ALA A 34 2.508 -10.279 4.940 1.00 0.00 O ATOM 516 CB ALA A 34 0.468 -7.785 5.932 1.00 0.00 C ATOM 0 H ALA A 34 3.549 -8.510 5.736 1.00 0.00 H new ATOM 0 HA ALA A 34 1.394 -8.847 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.489 -8.291 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.457 -6.841 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.634 -7.591 4.872 1.00 0.00 H new ATOM 522 N LYS A 35 0.703 -10.890 6.157 1.00 0.00 N ATOM 523 CA LYS A 35 0.629 -12.223 5.584 1.00 0.00 C ATOM 524 C LYS A 35 0.487 -12.112 4.065 1.00 0.00 C ATOM 525 O LYS A 35 -0.038 -11.123 3.557 1.00 0.00 O ATOM 526 CB LYS A 35 -0.488 -13.030 6.249 1.00 0.00 C ATOM 527 CG LYS A 35 -1.753 -12.186 6.411 1.00 0.00 C ATOM 528 CD LYS A 35 -1.971 -11.801 7.876 1.00 0.00 C ATOM 529 CE LYS A 35 -2.212 -10.297 8.018 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.789 -9.828 9.356 1.00 0.00 N ATOM 0 H LYS A 35 -0.013 -10.685 6.854 1.00 0.00 H new ATOM 0 HA LYS A 35 1.549 -12.774 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.710 -13.913 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.155 -13.383 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.674 -11.285 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.616 -12.743 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.824 -12.349 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.101 -12.091 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.660 -9.760 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.269 -10.076 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.960 -8.805 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.334 -10.328 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.776 -10.021 9.487 1.00 0.00 H new ATOM 544 N PRO A 36 0.977 -13.170 3.363 1.00 0.00 N ATOM 545 CA PRO A 36 0.910 -13.201 1.912 1.00 0.00 C ATOM 546 C PRO A 36 -0.513 -13.499 1.435 1.00 0.00 C ATOM 547 O PRO A 36 -1.084 -12.736 0.658 1.00 0.00 O ATOM 548 CB PRO A 36 1.911 -14.265 1.495 1.00 0.00 C ATOM 549 CG PRO A 36 2.161 -15.111 2.733 1.00 0.00 C ATOM 550 CD PRO A 36 1.605 -14.359 3.931 1.00 0.00 C ATOM 0 HA PRO A 36 1.157 -12.241 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.518 -14.873 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.836 -13.812 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.678 -16.083 2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.228 -15.296 2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.883 -14.965 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.395 -14.093 4.633 1.00 0.00 H new ATOM 558 N THR A 37 -1.045 -14.612 1.921 1.00 0.00 N ATOM 559 CA THR A 37 -2.390 -15.020 1.554 1.00 0.00 C ATOM 560 C THR A 37 -3.309 -13.801 1.452 1.00 0.00 C ATOM 561 O THR A 37 -3.959 -13.593 0.429 1.00 0.00 O ATOM 562 CB THR A 37 -2.865 -16.055 2.576 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.359 -15.574 3.818 1.00 0.00 O ATOM 564 CG2 THR A 37 -2.182 -17.412 2.396 1.00 0.00 C ATOM 0 H THR A 37 -0.569 -15.243 2.565 1.00 0.00 H new ATOM 0 HA THR A 37 -2.407 -15.483 0.568 1.00 0.00 H new ATOM 0 HB THR A 37 -3.945 -16.178 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.622 -16.185 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.555 -18.109 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.399 -17.799 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.105 -17.295 2.513 1.00 0.00 H new ATOM 572 N LYS A 38 -3.333 -13.027 2.527 1.00 0.00 N ATOM 573 CA LYS A 38 -4.162 -11.834 2.571 1.00 0.00 C ATOM 574 C LYS A 38 -4.015 -11.068 1.255 1.00 0.00 C ATOM 575 O LYS A 38 -3.113 -11.347 0.467 1.00 0.00 O ATOM 576 CB LYS A 38 -3.831 -10.998 3.810 1.00 0.00 C ATOM 577 CG LYS A 38 -5.071 -10.802 4.685 1.00 0.00 C ATOM 578 CD LYS A 38 -5.001 -9.476 5.445 1.00 0.00 C ATOM 579 CE LYS A 38 -5.551 -9.628 6.865 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.029 -9.713 6.841 1.00 0.00 N ATOM 0 H LYS A 38 -2.792 -13.202 3.374 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.214 -12.103 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.048 -11.490 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.440 -10.028 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.966 -10.822 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.155 -11.627 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.968 -9.131 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.570 -8.716 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.137 -10.523 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.239 -8.780 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.374 -10.017 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.427 -8.780 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.325 -10.402 6.121 1.00 0.00 H new ATOM 594 N ARG A 39 -4.916 -10.116 1.058 1.00 0.00 N ATOM 595 CA ARG A 39 -4.899 -9.308 -0.149 1.00 0.00 C ATOM 596 C ARG A 39 -4.097 -8.025 0.083 1.00 0.00 C ATOM 597 O ARG A 39 -3.489 -7.851 1.138 1.00 0.00 O ATOM 598 CB ARG A 39 -6.318 -8.942 -0.587 1.00 0.00 C ATOM 599 CG ARG A 39 -7.133 -10.196 -0.910 1.00 0.00 C ATOM 600 CD ARG A 39 -8.405 -9.840 -1.682 1.00 0.00 C ATOM 601 NE ARG A 39 -9.590 -10.388 -0.986 1.00 0.00 N ATOM 602 CZ ARG A 39 -10.852 -10.223 -1.406 1.00 0.00 C ATOM 603 NH1 ARG A 39 -11.100 -9.526 -2.523 1.00 0.00 N ATOM 604 NH2 ARG A 39 -11.865 -10.757 -0.711 1.00 0.00 N ATOM 0 H ARG A 39 -5.662 -9.887 1.714 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.429 -9.897 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.812 -8.377 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.276 -8.295 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.528 -10.886 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.396 -10.711 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.494 -8.757 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.350 -10.241 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.437 -10.925 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.329 -9.121 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.060 -9.400 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.676 -11.289 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.825 -10.631 -1.031 1.00 0.00 H new ATOM 618 N LEU A 40 -4.123 -7.160 -0.920 1.00 0.00 N ATOM 619 CA LEU A 40 -3.406 -5.899 -0.839 1.00 0.00 C ATOM 620 C LEU A 40 -4.282 -4.864 -0.129 1.00 0.00 C ATOM 621 O LEU A 40 -3.775 -3.884 0.414 1.00 0.00 O ATOM 622 CB LEU A 40 -2.937 -5.459 -2.227 1.00 0.00 C ATOM 623 CG LEU A 40 -1.425 -5.487 -2.464 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.100 -5.319 -3.950 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.715 -4.444 -1.600 1.00 0.00 C ATOM 0 H LEU A 40 -4.629 -7.308 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.500 -6.013 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.413 -6.099 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.294 -4.445 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.050 -6.464 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.019 -5.342 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.558 -6.130 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.491 -4.365 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.358 -4.485 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.089 -3.451 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.907 -4.652 -0.547 1.00 0.00 H new ATOM 637 N GLN A 41 -5.582 -5.118 -0.157 1.00 0.00 N ATOM 638 CA GLN A 41 -6.533 -4.220 0.476 1.00 0.00 C ATOM 639 C GLN A 41 -6.736 -4.611 1.942 1.00 0.00 C ATOM 640 O GLN A 41 -6.888 -3.746 2.803 1.00 0.00 O ATOM 641 CB GLN A 41 -7.864 -4.211 -0.278 1.00 0.00 C ATOM 642 CG GLN A 41 -8.580 -5.556 -0.143 1.00 0.00 C ATOM 643 CD GLN A 41 -9.471 -5.827 -1.357 1.00 0.00 C ATOM 644 OE1 GLN A 41 -9.057 -6.409 -2.346 1.00 0.00 O ATOM 645 NE2 GLN A 41 -10.715 -5.374 -1.227 1.00 0.00 N ATOM 0 H GLN A 41 -5.999 -5.932 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.127 -3.209 0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.500 -3.416 0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.688 -3.993 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.845 -6.355 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.184 -5.561 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.997 -4.895 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.387 -5.506 -1.983 1.00 0.00 H new ATOM 654 N GLU A 42 -6.732 -5.914 2.180 1.00 0.00 N ATOM 655 CA GLU A 42 -6.913 -6.430 3.526 1.00 0.00 C ATOM 656 C GLU A 42 -5.636 -6.237 4.345 1.00 0.00 C ATOM 657 O GLU A 42 -5.690 -6.119 5.568 1.00 0.00 O ATOM 658 CB GLU A 42 -7.329 -7.902 3.498 1.00 0.00 C ATOM 659 CG GLU A 42 -8.537 -8.113 2.583 1.00 0.00 C ATOM 660 CD GLU A 42 -9.844 -7.817 3.322 1.00 0.00 C ATOM 661 OE1 GLU A 42 -9.942 -6.700 3.875 1.00 0.00 O ATOM 662 OE2 GLU A 42 -10.714 -8.714 3.318 1.00 0.00 O ATOM 0 H GLU A 42 -6.606 -6.628 1.463 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.716 -5.869 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.495 -8.513 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.570 -8.235 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.454 -7.465 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.546 -9.140 2.218 1.00 0.00 H new ATOM 669 N ALA A 43 -4.516 -6.210 3.638 1.00 0.00 N ATOM 670 CA ALA A 43 -3.226 -6.033 4.284 1.00 0.00 C ATOM 671 C ALA A 43 -2.992 -4.544 4.545 1.00 0.00 C ATOM 672 O ALA A 43 -2.251 -4.179 5.457 1.00 0.00 O ATOM 673 CB ALA A 43 -2.130 -6.652 3.415 1.00 0.00 C ATOM 0 H ALA A 43 -4.475 -6.308 2.624 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.205 -6.544 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.163 -6.519 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.327 -7.716 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.118 -6.163 2.441 1.00 0.00 H new ATOM 679 N LEU A 44 -3.636 -3.724 3.728 1.00 0.00 N ATOM 680 CA LEU A 44 -3.507 -2.282 3.859 1.00 0.00 C ATOM 681 C LEU A 44 -4.614 -1.756 4.775 1.00 0.00 C ATOM 682 O LEU A 44 -4.552 -0.619 5.240 1.00 0.00 O ATOM 683 CB LEU A 44 -3.482 -1.619 2.481 1.00 0.00 C ATOM 684 CG LEU A 44 -2.237 -1.884 1.631 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.295 -0.678 1.649 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.534 -3.168 2.075 1.00 0.00 C ATOM 0 H LEU A 44 -4.249 -4.030 2.972 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.557 -2.026 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.356 -1.954 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.583 -0.542 2.616 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.552 -2.031 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.418 -0.892 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.812 0.194 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.982 -0.476 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.653 -3.333 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.232 -3.075 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.216 -4.012 1.968 1.00 0.00 H new ATOM 698 N GLN A 45 -5.602 -2.609 5.006 1.00 0.00 N ATOM 699 CA GLN A 45 -6.721 -2.245 5.858 1.00 0.00 C ATOM 700 C GLN A 45 -6.216 -1.723 7.204 1.00 0.00 C ATOM 701 O GLN A 45 -6.624 -0.652 7.652 1.00 0.00 O ATOM 702 CB GLN A 45 -7.671 -3.428 6.050 1.00 0.00 C ATOM 703 CG GLN A 45 -8.951 -3.243 5.232 1.00 0.00 C ATOM 704 CD GLN A 45 -10.129 -2.868 6.134 1.00 0.00 C ATOM 705 OE1 GLN A 45 -10.008 -2.091 7.067 1.00 0.00 O ATOM 706 NE2 GLN A 45 -11.272 -3.463 5.805 1.00 0.00 N ATOM 0 H GLN A 45 -5.650 -3.551 4.618 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.281 -1.448 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.174 -4.350 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.922 -3.530 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.799 -2.465 4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.179 -4.163 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.304 -4.103 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.117 -3.279 6.346 1.00 0.00 H new ATOM 715 N PRO A 46 -5.310 -2.523 7.828 1.00 0.00 N ATOM 716 CA PRO A 46 -4.745 -2.153 9.114 1.00 0.00 C ATOM 717 C PRO A 46 -3.705 -1.042 8.957 1.00 0.00 C ATOM 718 O PRO A 46 -3.158 -0.554 9.944 1.00 0.00 O ATOM 719 CB PRO A 46 -4.159 -3.440 9.672 1.00 0.00 C ATOM 720 CG PRO A 46 -4.005 -4.376 8.484 1.00 0.00 C ATOM 721 CD PRO A 46 -4.803 -3.797 7.327 1.00 0.00 C ATOM 0 HA PRO A 46 -5.488 -1.741 9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.198 -3.256 10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.815 -3.872 10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.955 -4.476 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.366 -5.374 8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.177 -3.655 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.617 -4.461 7.036 1.00 0.00 H new ATOM 729 N ILE A 47 -3.464 -0.674 7.707 1.00 0.00 N ATOM 730 CA ILE A 47 -2.500 0.371 7.407 1.00 0.00 C ATOM 731 C ILE A 47 -3.241 1.684 7.147 1.00 0.00 C ATOM 732 O ILE A 47 -2.823 2.741 7.618 1.00 0.00 O ATOM 733 CB ILE A 47 -1.586 -0.057 6.257 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.691 -1.226 6.674 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.773 1.128 5.732 1.00 0.00 C ATOM 736 CD1 ILE A 47 0.041 -0.917 7.981 1.00 0.00 C ATOM 0 H ILE A 47 -3.920 -1.081 6.890 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.843 0.539 8.260 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.212 -0.407 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.295 -2.126 6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.034 -1.432 5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.132 0.796 4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.450 1.902 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.157 1.531 6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.670 -1.764 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.662 -0.031 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.687 -0.735 8.772 1.00 0.00 H new ATOM 748 N LEU A 48 -4.329 1.575 6.399 1.00 0.00 N ATOM 749 CA LEU A 48 -5.132 2.740 6.071 1.00 0.00 C ATOM 750 C LEU A 48 -5.886 3.202 7.319 1.00 0.00 C ATOM 751 O LEU A 48 -6.008 4.401 7.567 1.00 0.00 O ATOM 752 CB LEU A 48 -6.042 2.445 4.877 1.00 0.00 C ATOM 753 CG LEU A 48 -5.350 1.906 3.623 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.356 1.229 2.691 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.563 3.010 2.914 1.00 0.00 C ATOM 0 H LEU A 48 -4.673 0.697 6.011 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.494 3.567 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.796 1.723 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.569 3.362 4.612 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.632 1.145 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.839 0.855 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.833 0.398 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.115 1.951 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.081 2.600 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.242 3.811 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.804 3.407 3.589 1.00 0.00 H new ATOM 767 N ALA A 49 -6.371 2.227 8.074 1.00 0.00 N ATOM 768 CA ALA A 49 -7.110 2.519 9.290 1.00 0.00 C ATOM 769 C ALA A 49 -6.135 2.986 10.374 1.00 0.00 C ATOM 770 O ALA A 49 -6.550 3.553 11.384 1.00 0.00 O ATOM 771 CB ALA A 49 -7.904 1.282 9.715 1.00 0.00 C ATOM 0 H ALA A 49 -6.266 1.234 7.867 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.826 3.323 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.458 1.501 10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.602 1.008 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.218 0.454 9.897 1.00 0.00 H new ATOM 777 N LYS A 50 -4.859 2.731 10.126 1.00 0.00 N ATOM 778 CA LYS A 50 -3.822 3.119 11.068 1.00 0.00 C ATOM 779 C LYS A 50 -3.120 4.378 10.557 1.00 0.00 C ATOM 780 O LYS A 50 -2.279 4.949 11.249 1.00 0.00 O ATOM 781 CB LYS A 50 -2.872 1.949 11.330 1.00 0.00 C ATOM 782 CG LYS A 50 -1.913 2.268 12.479 1.00 0.00 C ATOM 783 CD LYS A 50 -1.554 1.004 13.262 1.00 0.00 C ATOM 784 CE LYS A 50 -1.168 1.342 14.703 1.00 0.00 C ATOM 785 NZ LYS A 50 -0.246 0.320 15.246 1.00 0.00 N ATOM 0 H LYS A 50 -4.519 2.261 9.287 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.259 3.368 12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.448 1.055 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.303 1.729 10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.006 2.725 12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.371 2.996 13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.401 0.318 13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.727 0.491 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.694 2.323 14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.063 1.398 15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.006 0.565 16.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.711 -0.610 15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.616 0.286 14.665 1.00 0.00 H new ATOM 799 N HIS A 51 -3.491 4.775 9.348 1.00 0.00 N ATOM 800 CA HIS A 51 -2.907 5.957 8.736 1.00 0.00 C ATOM 801 C HIS A 51 -4.011 6.966 8.413 1.00 0.00 C ATOM 802 O HIS A 51 -3.763 7.970 7.747 1.00 0.00 O ATOM 803 CB HIS A 51 -2.073 5.578 7.511 1.00 0.00 C ATOM 804 CG HIS A 51 -0.723 4.991 7.845 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.443 3.640 7.731 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.422 5.585 8.289 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.815 3.441 8.094 1.00 0.00 C ATOM 808 NE2 HIS A 51 1.350 4.648 8.440 1.00 0.00 N ATOM 0 H HIS A 51 -4.189 4.299 8.776 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.221 6.433 9.437 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.632 4.859 6.912 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.930 6.465 6.893 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.095 2.920 7.420 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.552 6.639 8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.328 2.491 8.113 1.00 0.00 H new ATOM 816 N GLY A 52 -5.205 6.664 8.901 1.00 0.00 N ATOM 817 CA GLY A 52 -6.348 7.533 8.672 1.00 0.00 C ATOM 818 C GLY A 52 -6.696 7.601 7.184 1.00 0.00 C ATOM 819 O GLY A 52 -7.405 8.507 6.750 1.00 0.00 O ATOM 0 H GLY A 52 -5.406 5.831 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.207 7.165 9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.129 8.534 9.044 1.00 0.00 H new ATOM 823 N LEU A 53 -6.181 6.631 6.443 1.00 0.00 N ATOM 824 CA LEU A 53 -6.428 6.569 5.013 1.00 0.00 C ATOM 825 C LEU A 53 -7.581 5.601 4.741 1.00 0.00 C ATOM 826 O LEU A 53 -8.321 5.238 5.654 1.00 0.00 O ATOM 827 CB LEU A 53 -5.142 6.221 4.261 1.00 0.00 C ATOM 828 CG LEU A 53 -3.915 7.068 4.604 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.627 6.371 4.162 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.037 8.474 4.015 1.00 0.00 C ATOM 0 H LEU A 53 -5.593 5.881 6.807 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.735 7.545 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.903 5.175 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.334 6.311 3.192 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.867 7.176 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.770 6.994 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.541 5.410 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.651 6.212 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.152 9.055 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.123 8.408 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.923 8.963 4.420 1.00 0.00 H new ATOM 842 N SER A 54 -7.698 5.210 3.480 1.00 0.00 N ATOM 843 CA SER A 54 -8.748 4.291 3.076 1.00 0.00 C ATOM 844 C SER A 54 -8.345 3.570 1.788 1.00 0.00 C ATOM 845 O SER A 54 -7.349 3.924 1.159 1.00 0.00 O ATOM 846 CB SER A 54 -10.077 5.024 2.880 1.00 0.00 C ATOM 847 OG SER A 54 -10.614 5.492 4.114 1.00 0.00 O ATOM 0 H SER A 54 -7.083 5.513 2.725 1.00 0.00 H new ATOM 0 HA SER A 54 -8.883 3.556 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.930 5.867 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.793 4.355 2.403 1.00 0.00 H new ATOM 0 HG SER A 54 -9.966 5.336 4.833 1.00 0.00 H new ATOM 853 N LEU A 55 -9.140 2.571 1.433 1.00 0.00 N ATOM 854 CA LEU A 55 -8.879 1.797 0.231 1.00 0.00 C ATOM 855 C LEU A 55 -9.411 2.557 -0.985 1.00 0.00 C ATOM 856 O LEU A 55 -9.037 2.262 -2.119 1.00 0.00 O ATOM 857 CB LEU A 55 -9.447 0.383 0.370 1.00 0.00 C ATOM 858 CG LEU A 55 -8.783 -0.506 1.424 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.767 -1.546 1.962 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.510 -1.152 0.873 1.00 0.00 C ATOM 0 H LEU A 55 -9.965 2.280 1.957 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.806 1.671 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.508 0.461 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.370 -0.115 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.487 0.122 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.270 -2.165 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.618 -1.040 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.115 -2.175 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.058 -1.778 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.759 -1.764 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.806 -0.374 0.578 1.00 0.00 H new ATOM 872 N ASP A 56 -10.277 3.521 -0.708 1.00 0.00 N ATOM 873 CA ASP A 56 -10.865 4.325 -1.766 1.00 0.00 C ATOM 874 C ASP A 56 -10.260 5.730 -1.728 1.00 0.00 C ATOM 875 O ASP A 56 -10.795 6.656 -2.336 1.00 0.00 O ATOM 876 CB ASP A 56 -12.378 4.457 -1.582 1.00 0.00 C ATOM 877 CG ASP A 56 -13.179 4.585 -2.879 1.00 0.00 C ATOM 878 OD1 ASP A 56 -12.735 5.369 -3.745 1.00 0.00 O ATOM 879 OD2 ASP A 56 -14.217 3.896 -2.976 1.00 0.00 O ATOM 0 H ASP A 56 -10.585 3.763 0.234 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.659 3.834 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.739 3.587 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.578 5.330 -0.961 1.00 0.00 H new ATOM 884 N GLN A 57 -9.154 5.845 -1.008 1.00 0.00 N ATOM 885 CA GLN A 57 -8.471 7.121 -0.883 1.00 0.00 C ATOM 886 C GLN A 57 -7.098 7.056 -1.554 1.00 0.00 C ATOM 887 O GLN A 57 -6.735 7.946 -2.321 1.00 0.00 O ATOM 888 CB GLN A 57 -8.346 7.534 0.585 1.00 0.00 C ATOM 889 CG GLN A 57 -9.584 8.307 1.045 1.00 0.00 C ATOM 890 CD GLN A 57 -9.630 9.698 0.409 1.00 0.00 C ATOM 891 OE1 GLN A 57 -8.986 10.634 0.853 1.00 0.00 O ATOM 892 NE2 GLN A 57 -10.425 9.780 -0.654 1.00 0.00 N ATOM 0 H GLN A 57 -8.714 5.075 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.065 7.881 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.215 6.648 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.457 8.151 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.483 7.752 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.576 8.400 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.936 8.957 -0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.523 10.666 -1.150 1.00 0.00 H new ATOM 901 N VAL A 58 -6.371 5.994 -1.239 1.00 0.00 N ATOM 902 CA VAL A 58 -5.045 5.801 -1.802 1.00 0.00 C ATOM 903 C VAL A 58 -5.150 4.935 -3.058 1.00 0.00 C ATOM 904 O VAL A 58 -6.195 4.342 -3.323 1.00 0.00 O ATOM 905 CB VAL A 58 -4.109 5.211 -0.745 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.233 5.965 0.580 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.373 3.716 -0.553 1.00 0.00 C ATOM 0 H VAL A 58 -6.675 5.258 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.614 6.756 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.085 5.327 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.557 5.525 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.972 7.012 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.258 5.895 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.695 3.321 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.403 3.567 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.209 3.194 -1.496 1.00 0.00 H new ATOM 917 N VAL A 59 -4.053 4.889 -3.800 1.00 0.00 N ATOM 918 CA VAL A 59 -4.009 4.105 -5.023 1.00 0.00 C ATOM 919 C VAL A 59 -2.643 3.426 -5.139 1.00 0.00 C ATOM 920 O VAL A 59 -1.608 4.087 -5.061 1.00 0.00 O ATOM 921 CB VAL A 59 -4.340 4.992 -6.225 1.00 0.00 C ATOM 922 CG1 VAL A 59 -4.193 4.216 -7.536 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.742 5.590 -6.096 1.00 0.00 C ATOM 0 H VAL A 59 -3.188 5.382 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.762 3.318 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.625 5.815 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.434 4.869 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.167 3.861 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.873 3.364 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.952 6.216 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.477 4.787 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.798 6.194 -5.190 1.00 0.00 H new ATOM 933 N LEU A 60 -2.683 2.115 -5.323 1.00 0.00 N ATOM 934 CA LEU A 60 -1.461 1.339 -5.451 1.00 0.00 C ATOM 935 C LEU A 60 -1.165 1.102 -6.933 1.00 0.00 C ATOM 936 O LEU A 60 -2.076 0.840 -7.717 1.00 0.00 O ATOM 937 CB LEU A 60 -1.555 0.052 -4.629 1.00 0.00 C ATOM 938 CG LEU A 60 -0.237 -0.482 -4.065 1.00 0.00 C ATOM 939 CD1 LEU A 60 0.764 -0.765 -5.186 1.00 0.00 C ATOM 940 CD2 LEU A 60 0.335 0.471 -3.013 1.00 0.00 C ATOM 0 H LEU A 60 -3.543 1.570 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.615 1.891 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.239 0.224 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.000 -0.723 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.438 -1.430 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.692 -1.143 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.348 -1.509 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.966 0.155 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.272 0.068 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.518 1.445 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.377 0.579 -2.195 1.00 0.00 H new ATOM 952 N HIS A 61 0.112 1.202 -7.272 1.00 0.00 N ATOM 953 CA HIS A 61 0.539 1.002 -8.646 1.00 0.00 C ATOM 954 C HIS A 61 2.065 1.086 -8.726 1.00 0.00 C ATOM 955 O HIS A 61 2.652 2.114 -8.395 1.00 0.00 O ATOM 956 CB HIS A 61 -0.159 1.991 -9.582 1.00 0.00 C ATOM 957 CG HIS A 61 0.550 3.317 -9.713 1.00 0.00 C ATOM 958 ND1 HIS A 61 1.439 3.594 -10.736 1.00 0.00 N ATOM 959 CD2 HIS A 61 0.491 4.440 -8.940 1.00 0.00 C ATOM 960 CE1 HIS A 61 1.889 4.830 -10.576 1.00 0.00 C ATOM 961 NE2 HIS A 61 1.301 5.352 -9.462 1.00 0.00 N ATOM 0 H HIS A 61 0.865 1.419 -6.619 1.00 0.00 H new ATOM 0 HA HIS A 61 0.246 0.007 -8.980 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.248 1.539 -10.570 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.172 2.166 -9.219 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.113 4.565 -8.053 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.597 5.335 -11.216 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.458 6.289 -9.091 1.00 0.00 H new ATOM 969 N ARG A 62 2.663 -0.011 -9.169 1.00 0.00 N ATOM 970 CA ARG A 62 4.109 -0.074 -9.297 1.00 0.00 C ATOM 971 C ARG A 62 4.630 1.155 -10.045 1.00 0.00 C ATOM 972 O ARG A 62 3.869 1.840 -10.726 1.00 0.00 O ATOM 973 CB ARG A 62 4.541 -1.337 -10.044 1.00 0.00 C ATOM 974 CG ARG A 62 4.886 -2.462 -9.066 1.00 0.00 C ATOM 975 CD ARG A 62 4.970 -3.809 -9.786 1.00 0.00 C ATOM 976 NE ARG A 62 5.765 -4.764 -8.982 1.00 0.00 N ATOM 977 CZ ARG A 62 5.273 -5.474 -7.957 1.00 0.00 C ATOM 978 NH1 ARG A 62 3.987 -5.340 -7.605 1.00 0.00 N ATOM 979 NH2 ARG A 62 6.068 -6.317 -7.284 1.00 0.00 N ATOM 0 H ARG A 62 2.173 -0.862 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 62 4.530 -0.098 -8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.741 -1.662 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.406 -1.116 -10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.837 -2.246 -8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.130 -2.511 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.968 -4.206 -9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.427 -3.678 -10.767 1.00 0.00 H new ATOM 0 HE ARG A 62 6.748 -4.890 -9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.382 -4.698 -8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.613 -5.880 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.047 -6.418 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.694 -6.857 -6.504 1.00 0.00 H new ATOM 1111 N LEU A 71 -5.823 -4.497 -5.625 1.00 0.00 N ATOM 1112 CA LEU A 71 -5.541 -4.883 -4.252 1.00 0.00 C ATOM 1113 C LEU A 71 -6.003 -6.324 -4.028 1.00 0.00 C ATOM 1114 O LEU A 71 -5.395 -7.060 -3.252 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.160 -3.880 -3.277 1.00 0.00 C ATOM 1116 CG LEU A 71 -5.856 -2.405 -3.548 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -7.076 -1.531 -3.255 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.622 -1.947 -2.767 1.00 0.00 C ATOM 0 HA LEU A 71 -4.468 -4.858 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.242 -4.015 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.817 -4.122 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.627 -2.293 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.833 -0.488 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.906 -1.839 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.360 -1.642 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.428 -0.895 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.798 -2.077 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.760 -2.542 -3.067 1.00 0.00 H new ATOM 1130 N GLU A 72 -7.073 -6.684 -4.721 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.623 -8.024 -4.606 1.00 0.00 C ATOM 1132 C GLU A 72 -6.500 -9.063 -4.642 1.00 0.00 C ATOM 1133 O GLU A 72 -6.646 -10.159 -4.102 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.652 -8.290 -5.707 1.00 0.00 C ATOM 1135 CG GLU A 72 -8.067 -7.992 -7.088 1.00 0.00 C ATOM 1136 CD GLU A 72 -9.122 -7.376 -8.010 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -9.584 -6.263 -7.679 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -9.443 -8.033 -9.024 1.00 0.00 O ATOM 0 H GLU A 72 -7.574 -6.071 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.136 -8.105 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.977 -9.329 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.535 -7.673 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.222 -7.310 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.684 -8.912 -7.531 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.406 -8.683 -5.284 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.259 -9.568 -5.398 1.00 0.00 C ATOM 1147 C ASN A 73 -3.585 -9.700 -4.031 1.00 0.00 C ATOM 1148 O ASN A 73 -3.602 -8.764 -3.233 1.00 0.00 O ATOM 1149 CB ASN A 73 -3.228 -9.011 -6.381 1.00 0.00 C ATOM 1150 CG ASN A 73 -3.895 -8.582 -7.690 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -5.035 -8.911 -7.973 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -3.122 -7.831 -8.470 1.00 0.00 N ATOM 0 H ASN A 73 -5.289 -7.774 -5.731 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.613 -10.534 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.716 -8.159 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.470 -9.767 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.475 -7.494 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.176 -7.592 -8.172 1.00 0.00 H new ATOM 1159 N PRO A 74 -2.992 -10.901 -3.796 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.313 -11.168 -2.539 1.00 0.00 C ATOM 1161 C PRO A 74 -0.962 -10.451 -2.482 1.00 0.00 C ATOM 1162 O PRO A 74 -0.258 -10.366 -3.487 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.185 -12.681 -2.474 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.375 -13.177 -3.899 1.00 0.00 C ATOM 1165 CD PRO A 74 -2.951 -12.033 -4.717 1.00 0.00 C ATOM 0 HA PRO A 74 -2.862 -10.791 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.210 -12.974 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.935 -13.108 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.424 -13.506 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.046 -14.036 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.329 -11.815 -5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.946 -12.275 -5.091 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.642 -9.953 -1.297 1.00 0.00 N ATOM 1174 CA VAL A 75 0.611 -9.246 -1.096 1.00 0.00 C ATOM 1175 C VAL A 75 1.775 -10.161 -1.481 1.00 0.00 C ATOM 1176 O VAL A 75 2.882 -9.689 -1.736 1.00 0.00 O ATOM 1177 CB VAL A 75 0.700 -8.738 0.345 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.238 -7.551 0.567 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.408 -9.862 1.341 1.00 0.00 C ATOM 0 H VAL A 75 -1.229 -10.025 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 75 0.662 -8.368 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 75 1.720 -8.395 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.155 -7.210 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.036 -6.739 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.265 -7.857 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.478 -9.475 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.596 -10.249 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.134 -10.664 1.208 1.00 0.00 H new ATOM 1189 N SER A 76 1.485 -11.453 -1.511 1.00 0.00 N ATOM 1190 CA SER A 76 2.494 -12.439 -1.861 1.00 0.00 C ATOM 1191 C SER A 76 3.013 -12.177 -3.276 1.00 0.00 C ATOM 1192 O SER A 76 4.058 -12.697 -3.664 1.00 0.00 O ATOM 1193 CB SER A 76 1.937 -13.859 -1.754 1.00 0.00 C ATOM 1194 OG SER A 76 2.889 -14.767 -1.206 1.00 0.00 O ATOM 0 H SER A 76 0.566 -11.840 -1.299 1.00 0.00 H new ATOM 0 HA SER A 76 3.320 -12.348 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.043 -13.851 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.634 -14.205 -2.742 1.00 0.00 H new ATOM 0 HG SER A 76 2.494 -15.662 -1.153 1.00 0.00 H new ATOM 1200 N SER A 77 2.259 -11.370 -4.008 1.00 0.00 N ATOM 1201 CA SER A 77 2.630 -11.033 -5.372 1.00 0.00 C ATOM 1202 C SER A 77 3.247 -9.633 -5.416 1.00 0.00 C ATOM 1203 O SER A 77 3.723 -9.193 -6.461 1.00 0.00 O ATOM 1204 CB SER A 77 1.422 -11.109 -6.307 1.00 0.00 C ATOM 1205 OG SER A 77 1.257 -12.412 -6.862 1.00 0.00 O ATOM 0 H SER A 77 1.393 -10.940 -3.683 1.00 0.00 H new ATOM 0 HA SER A 77 3.367 -11.760 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.521 -10.832 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.541 -10.384 -7.112 1.00 0.00 H new ATOM 0 HG SER A 77 0.474 -12.420 -7.452 1.00 0.00 H new ATOM 1211 N VAL A 78 3.218 -8.973 -4.268 1.00 0.00 N ATOM 1212 CA VAL A 78 3.769 -7.632 -4.162 1.00 0.00 C ATOM 1213 C VAL A 78 4.871 -7.620 -3.101 1.00 0.00 C ATOM 1214 O VAL A 78 5.100 -6.602 -2.450 1.00 0.00 O ATOM 1215 CB VAL A 78 2.650 -6.629 -3.873 1.00 0.00 C ATOM 1216 CG1 VAL A 78 1.397 -6.955 -4.688 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.333 -6.576 -2.378 1.00 0.00 C ATOM 0 H VAL A 78 2.822 -9.341 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 78 4.223 -7.330 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 78 2.999 -5.642 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.617 -6.227 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.634 -6.917 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.045 -7.954 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.535 -5.856 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.014 -7.562 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.224 -6.273 -1.828 1.00 0.00 H new ATOM 1227 N ALA A 79 5.524 -8.764 -2.959 1.00 0.00 N ATOM 1228 CA ALA A 79 6.597 -8.898 -1.988 1.00 0.00 C ATOM 1229 C ALA A 79 7.911 -9.176 -2.721 1.00 0.00 C ATOM 1230 O ALA A 79 8.444 -10.282 -2.650 1.00 0.00 O ATOM 1231 CB ALA A 79 6.244 -10.000 -0.987 1.00 0.00 C ATOM 0 H ALA A 79 5.331 -9.607 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 79 6.723 -7.973 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.048 -10.101 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.319 -9.741 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.113 -10.944 -1.516 1.00 0.00 H new ATOM 1237 N SER A 80 8.396 -8.152 -3.409 1.00 0.00 N ATOM 1238 CA SER A 80 9.637 -8.272 -4.154 1.00 0.00 C ATOM 1239 C SER A 80 10.205 -6.883 -4.451 1.00 0.00 C ATOM 1240 O SER A 80 11.254 -6.512 -3.925 1.00 0.00 O ATOM 1241 CB SER A 80 9.425 -9.048 -5.456 1.00 0.00 C ATOM 1242 OG SER A 80 10.412 -10.059 -5.641 1.00 0.00 O ATOM 0 H SER A 80 7.951 -7.236 -3.466 1.00 0.00 H new ATOM 0 HA SER A 80 10.350 -8.827 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.435 -9.504 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.451 -8.357 -6.298 1.00 0.00 H new ATOM 0 HG SER A 80 10.241 -10.533 -6.482 1.00 0.00 H new ATOM 1248 N GLN A 81 9.488 -6.152 -5.292 1.00 0.00 N ATOM 1249 CA GLN A 81 9.908 -4.812 -5.665 1.00 0.00 C ATOM 1250 C GLN A 81 9.183 -3.771 -4.808 1.00 0.00 C ATOM 1251 O GLN A 81 8.351 -4.120 -3.973 1.00 0.00 O ATOM 1252 CB GLN A 81 9.670 -4.557 -7.154 1.00 0.00 C ATOM 1253 CG GLN A 81 10.901 -4.939 -7.979 1.00 0.00 C ATOM 1254 CD GLN A 81 10.505 -5.769 -9.202 1.00 0.00 C ATOM 1255 OE1 GLN A 81 9.955 -6.853 -9.097 1.00 0.00 O ATOM 1256 NE2 GLN A 81 10.816 -5.202 -10.364 1.00 0.00 N ATOM 0 H GLN A 81 8.619 -6.463 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 81 10.979 -4.724 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.808 -5.133 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.433 -3.505 -7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.422 -4.037 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.597 -5.506 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.276 -4.292 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.594 -5.677 -11.239 1.00 0.00 H new ATOM 1265 N THR A 82 9.527 -2.514 -5.045 1.00 0.00 N ATOM 1266 CA THR A 82 8.920 -1.420 -4.305 1.00 0.00 C ATOM 1267 C THR A 82 7.714 -0.867 -5.067 1.00 0.00 C ATOM 1268 O THR A 82 7.793 -0.623 -6.270 1.00 0.00 O ATOM 1269 CB THR A 82 10.002 -0.372 -4.037 1.00 0.00 C ATOM 1270 OG1 THR A 82 10.762 -0.925 -2.965 1.00 0.00 O ATOM 1271 CG2 THR A 82 9.432 0.925 -3.460 1.00 0.00 C ATOM 0 H THR A 82 10.218 -2.228 -5.739 1.00 0.00 H new ATOM 0 HA THR A 82 8.532 -1.759 -3.345 1.00 0.00 H new ATOM 0 HB THR A 82 10.533 -0.153 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.487 -0.310 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.242 1.634 -3.289 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.718 1.353 -4.163 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.929 0.713 -2.516 1.00 0.00 H new ATOM 1279 N LEU A 83 6.625 -0.683 -4.334 1.00 0.00 N ATOM 1280 CA LEU A 83 5.404 -0.163 -4.925 1.00 0.00 C ATOM 1281 C LEU A 83 5.363 1.356 -4.745 1.00 0.00 C ATOM 1282 O LEU A 83 6.230 1.931 -4.089 1.00 0.00 O ATOM 1283 CB LEU A 83 4.182 -0.883 -4.352 1.00 0.00 C ATOM 1284 CG LEU A 83 4.324 -2.395 -4.160 1.00 0.00 C ATOM 1285 CD1 LEU A 83 3.413 -2.892 -3.035 1.00 0.00 C ATOM 1286 CD2 LEU A 83 4.073 -3.140 -5.472 1.00 0.00 C ATOM 0 H LEU A 83 6.563 -0.885 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 83 5.386 -0.359 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.940 -0.435 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.334 -0.698 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 83 5.351 -2.607 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.533 -3.969 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.681 -2.394 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.375 -2.667 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.180 -4.212 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.064 -2.926 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.796 -2.814 -6.220 1.00 0.00 H new ATOM 1298 N VAL A 84 4.347 1.963 -5.341 1.00 0.00 N ATOM 1299 CA VAL A 84 4.181 3.404 -5.254 1.00 0.00 C ATOM 1300 C VAL A 84 2.767 3.722 -4.764 1.00 0.00 C ATOM 1301 O VAL A 84 1.808 3.052 -5.147 1.00 0.00 O ATOM 1302 CB VAL A 84 4.506 4.049 -6.603 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.391 5.573 -6.523 1.00 0.00 C ATOM 1304 CG2 VAL A 84 5.893 3.629 -7.092 1.00 0.00 C ATOM 0 H VAL A 84 3.631 1.483 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 84 4.878 3.826 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 84 3.774 3.695 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.627 6.007 -7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.375 5.847 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.090 5.952 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.099 4.101 -8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.644 3.940 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.926 2.546 -7.206 1.00 0.00 H new ATOM 1314 N LEU A 85 2.682 4.744 -3.925 1.00 0.00 N ATOM 1315 CA LEU A 85 1.401 5.159 -3.379 1.00 0.00 C ATOM 1316 C LEU A 85 1.038 6.539 -3.932 1.00 0.00 C ATOM 1317 O LEU A 85 1.834 7.473 -3.849 1.00 0.00 O ATOM 1318 CB LEU A 85 1.424 5.095 -1.851 1.00 0.00 C ATOM 1319 CG LEU A 85 0.059 5.082 -1.159 1.00 0.00 C ATOM 1320 CD1 LEU A 85 -0.454 3.651 -0.987 1.00 0.00 C ATOM 1321 CD2 LEU A 85 0.112 5.835 0.172 1.00 0.00 C ATOM 0 H LEU A 85 3.479 5.297 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 85 0.614 4.473 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.969 4.199 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.989 5.950 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.653 5.605 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.425 3.670 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.553 3.180 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.251 3.082 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.871 5.811 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.841 5.361 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.403 6.870 -0.007 1.00 0.00 H new ATOM 1333 N ASP A 86 -0.163 6.623 -4.484 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.641 7.873 -5.050 1.00 0.00 C ATOM 1335 C ASP A 86 -1.777 8.420 -4.183 1.00 0.00 C ATOM 1336 O ASP A 86 -2.950 8.237 -4.503 1.00 0.00 O ATOM 1337 CB ASP A 86 -1.184 7.665 -6.465 1.00 0.00 C ATOM 1338 CG ASP A 86 -1.082 8.885 -7.383 1.00 0.00 C ATOM 1339 OD1 ASP A 86 -1.322 10.000 -6.872 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.767 8.674 -8.574 1.00 0.00 O ATOM 0 H ASP A 86 -0.820 5.846 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 86 0.197 8.569 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.646 6.836 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.230 7.367 -6.396 1.00 0.00 H new ATOM 1345 N THR A 87 -1.388 9.080 -3.102 1.00 0.00 N ATOM 1346 CA THR A 87 -2.359 9.654 -2.186 1.00 0.00 C ATOM 1347 C THR A 87 -3.260 10.650 -2.920 1.00 0.00 C ATOM 1348 O THR A 87 -2.893 11.162 -3.977 1.00 0.00 O ATOM 1349 CB THR A 87 -1.595 10.274 -1.015 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.621 11.108 -1.637 1.00 0.00 O ATOM 1351 CG2 THR A 87 -0.767 9.244 -0.245 1.00 0.00 C ATOM 0 H THR A 87 -0.414 9.230 -2.840 1.00 0.00 H new ATOM 0 HA THR A 87 -3.028 8.891 -1.788 1.00 0.00 H new ATOM 0 HB THR A 87 -2.300 10.754 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.082 11.551 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.245 9.737 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.426 8.473 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.039 8.787 -0.916 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.451 10.901 -2.315 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.407 11.827 -2.899 1.00 0.00 C ATOM 1361 C PRO A 88 -4.960 13.276 -2.698 1.00 0.00 C ATOM 1362 O PRO A 88 -4.215 13.576 -1.766 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.728 11.512 -2.215 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.371 10.749 -0.951 1.00 0.00 C ATOM 1365 CD PRO A 88 -4.919 10.313 -1.063 1.00 0.00 C ATOM 0 HA PRO A 88 -5.496 11.714 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.273 12.426 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.371 10.916 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.514 11.378 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.021 9.883 -0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.333 10.668 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.832 9.227 -1.079 1.00 0.00 H new