USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=12 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= -0.0572 USER MOD Single : A 20 GLN : amide:sc= -0.389! C(o=-0.39!,f=-12!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.257 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00623 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= -0.0078 (180deg=-0.0357) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-8!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00267 USER MOD Single : A 57 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.18) USER MOD Single : A 61 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-3.3!) USER MOD Single : A 73 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.7) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0356 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 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00358 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0157 USER MOD ----------------------------------------------------------------- ATOM 198 N ARG A 16 4.909 -14.398 6.921 1.00 0.00 N ATOM 199 CA ARG A 16 4.525 -13.022 6.659 1.00 0.00 C ATOM 200 C ARG A 16 5.518 -12.367 5.697 1.00 0.00 C ATOM 201 O ARG A 16 6.725 -12.388 5.935 1.00 0.00 O ATOM 202 CB ARG A 16 4.471 -12.209 7.955 1.00 0.00 C ATOM 203 CG ARG A 16 3.036 -12.103 8.475 1.00 0.00 C ATOM 204 CD ARG A 16 2.810 -10.770 9.191 1.00 0.00 C ATOM 205 NE ARG A 16 2.732 -10.987 10.653 1.00 0.00 N ATOM 206 CZ ARG A 16 2.566 -10.007 11.551 1.00 0.00 C ATOM 207 NH1 ARG A 16 2.461 -8.735 11.142 1.00 0.00 N ATOM 208 NH2 ARG A 16 2.507 -10.298 12.858 1.00 0.00 N ATOM 0 HA ARG A 16 3.532 -13.035 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.102 -12.679 8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.873 -11.211 7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.336 -12.197 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.831 -12.927 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.623 -10.082 8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.890 -10.308 8.834 1.00 0.00 H new ATOM 0 HE ARG A 16 2.810 -11.943 10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.507 -8.514 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.335 -7.988 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.589 -11.266 13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.381 -9.551 13.541 1.00 0.00 H new ATOM 222 N ILE A 17 4.974 -11.802 4.629 1.00 0.00 N ATOM 223 CA ILE A 17 5.797 -11.143 3.630 1.00 0.00 C ATOM 224 C ILE A 17 5.787 -9.634 3.881 1.00 0.00 C ATOM 225 O ILE A 17 4.849 -9.107 4.476 1.00 0.00 O ATOM 226 CB ILE A 17 5.345 -11.534 2.221 1.00 0.00 C ATOM 227 CG1 ILE A 17 3.963 -10.959 1.909 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.390 -13.052 2.033 1.00 0.00 C ATOM 229 CD1 ILE A 17 4.051 -9.467 1.580 1.00 0.00 C ATOM 0 H ILE A 17 3.973 -11.787 4.434 1.00 0.00 H new ATOM 0 HA ILE A 17 6.832 -11.474 3.712 1.00 0.00 H new ATOM 0 HB ILE A 17 6.043 -11.100 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.524 -11.495 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.302 -11.108 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.064 -13.303 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.409 -13.407 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.729 -13.528 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.054 -9.083 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.468 -8.930 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.693 -9.323 0.711 1.00 0.00 H new ATOM 241 N THR A 18 6.843 -8.982 3.416 1.00 0.00 N ATOM 242 CA THR A 18 6.967 -7.544 3.584 1.00 0.00 C ATOM 243 C THR A 18 7.301 -6.878 2.247 1.00 0.00 C ATOM 244 O THR A 18 7.862 -7.514 1.356 1.00 0.00 O ATOM 245 CB THR A 18 8.012 -7.283 4.670 1.00 0.00 C ATOM 246 OG1 THR A 18 7.716 -8.248 5.676 1.00 0.00 O ATOM 247 CG2 THR A 18 7.806 -5.939 5.371 1.00 0.00 C ATOM 0 H THR A 18 7.620 -9.423 2.923 1.00 0.00 H new ATOM 0 HA THR A 18 6.025 -7.101 3.906 1.00 0.00 H new ATOM 0 HB THR A 18 9.008 -7.313 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.348 -8.151 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.574 -5.804 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.874 -5.133 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.823 -5.921 5.841 1.00 0.00 H new ATOM 255 N PHE A 19 6.941 -5.607 2.150 1.00 0.00 N ATOM 256 CA PHE A 19 7.196 -4.848 0.937 1.00 0.00 C ATOM 257 C PHE A 19 7.334 -3.355 1.243 1.00 0.00 C ATOM 258 O PHE A 19 6.898 -2.891 2.295 1.00 0.00 O ATOM 259 CB PHE A 19 5.991 -5.058 0.017 1.00 0.00 C ATOM 260 CG PHE A 19 4.651 -4.677 0.649 1.00 0.00 C ATOM 261 CD1 PHE A 19 4.189 -3.403 0.547 1.00 0.00 C ATOM 262 CD2 PHE A 19 3.922 -5.614 1.314 1.00 0.00 C ATOM 263 CE1 PHE A 19 2.945 -3.049 1.134 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.678 -5.260 1.901 1.00 0.00 C ATOM 265 CZ PHE A 19 2.216 -3.986 1.798 1.00 0.00 C ATOM 0 H PHE A 19 6.475 -5.083 2.891 1.00 0.00 H new ATOM 0 HA PHE A 19 8.125 -5.184 0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.133 -4.471 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.955 -6.105 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.768 -2.659 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.289 -6.626 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.578 -2.036 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.099 -6.003 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.270 -3.717 2.244 1.00 0.00 H new ATOM 275 N GLN A 20 7.943 -2.646 0.304 1.00 0.00 N ATOM 276 CA GLN A 20 8.145 -1.215 0.460 1.00 0.00 C ATOM 277 C GLN A 20 7.106 -0.441 -0.354 1.00 0.00 C ATOM 278 O GLN A 20 6.529 -0.976 -1.299 1.00 0.00 O ATOM 279 CB GLN A 20 9.566 -0.815 0.060 1.00 0.00 C ATOM 280 CG GLN A 20 10.498 -0.812 1.273 1.00 0.00 C ATOM 281 CD GLN A 20 11.831 -1.486 0.942 1.00 0.00 C ATOM 282 OE1 GLN A 20 12.310 -2.356 1.650 1.00 0.00 O ATOM 283 NE2 GLN A 20 12.402 -1.035 -0.172 1.00 0.00 N ATOM 0 H GLN A 20 8.303 -3.035 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 20 8.015 -0.961 1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.944 -1.508 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.554 0.175 -0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.676 0.213 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.021 -1.331 2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.947 -0.304 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.295 -1.420 -0.479 1.00 0.00 H new ATOM 292 N LEU A 21 6.901 0.807 0.042 1.00 0.00 N ATOM 293 CA LEU A 21 5.942 1.660 -0.640 1.00 0.00 C ATOM 294 C LEU A 21 6.596 3.008 -0.950 1.00 0.00 C ATOM 295 O LEU A 21 7.443 3.480 -0.193 1.00 0.00 O ATOM 296 CB LEU A 21 4.653 1.775 0.175 1.00 0.00 C ATOM 297 CG LEU A 21 3.352 1.513 -0.587 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.134 1.853 0.274 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.338 2.263 -1.921 1.00 0.00 C ATOM 0 H LEU A 21 7.382 1.248 0.826 1.00 0.00 H new ATOM 0 HA LEU A 21 5.650 1.220 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.710 1.075 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.605 2.776 0.603 1.00 0.00 H new ATOM 0 HG LEU A 21 3.298 0.448 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.223 1.658 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.141 1.238 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.169 2.906 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.403 2.060 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.426 3.334 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.175 1.930 -2.534 1.00 0.00 H new ATOM 311 N GLU A 22 6.178 3.590 -2.064 1.00 0.00 N ATOM 312 CA GLU A 22 6.713 4.875 -2.483 1.00 0.00 C ATOM 313 C GLU A 22 5.690 5.984 -2.228 1.00 0.00 C ATOM 314 O GLU A 22 4.784 6.195 -3.033 1.00 0.00 O ATOM 315 CB GLU A 22 7.129 4.841 -3.955 1.00 0.00 C ATOM 316 CG GLU A 22 8.528 5.432 -4.143 1.00 0.00 C ATOM 317 CD GLU A 22 9.251 4.770 -5.318 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.728 3.632 -5.121 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.309 5.417 -6.386 1.00 0.00 O ATOM 0 H GLU A 22 5.475 3.196 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 22 7.604 5.086 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.113 3.813 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.410 5.401 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.453 6.505 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.109 5.296 -3.231 1.00 0.00 H new ATOM 326 N LEU A 23 5.870 6.663 -1.105 1.00 0.00 N ATOM 327 CA LEU A 23 4.974 7.746 -0.734 1.00 0.00 C ATOM 328 C LEU A 23 5.207 8.937 -1.666 1.00 0.00 C ATOM 329 O LEU A 23 5.726 9.969 -1.242 1.00 0.00 O ATOM 330 CB LEU A 23 5.131 8.085 0.750 1.00 0.00 C ATOM 331 CG LEU A 23 4.448 7.132 1.732 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.099 7.210 3.114 1.00 0.00 C ATOM 333 CD2 LEU A 23 2.941 7.393 1.792 1.00 0.00 C ATOM 0 H LEU A 23 6.622 6.485 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 23 3.935 7.442 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.195 8.115 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.739 9.088 0.916 1.00 0.00 H new ATOM 0 HG LEU A 23 4.584 6.113 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.595 6.523 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.151 6.937 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.016 8.226 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.480 6.702 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.762 8.418 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.507 7.246 0.803 1.00 0.00 H new ATOM 345 N VAL A 24 4.812 8.754 -2.917 1.00 0.00 N ATOM 346 CA VAL A 24 4.971 9.801 -3.912 1.00 0.00 C ATOM 347 C VAL A 24 4.654 11.156 -3.276 1.00 0.00 C ATOM 348 O VAL A 24 5.292 12.159 -3.592 1.00 0.00 O ATOM 349 CB VAL A 24 4.103 9.497 -5.135 1.00 0.00 C ATOM 350 CG1 VAL A 24 3.944 10.737 -6.016 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.675 8.325 -5.935 1.00 0.00 C ATOM 0 H VAL A 24 4.382 7.897 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 24 6.002 9.840 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 24 3.113 9.209 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.323 10.494 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.471 11.533 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.924 11.069 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.040 8.129 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.681 8.572 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.712 7.437 -5.304 1.00 0.00 H new ATOM 426 N VAL A 29 10.594 6.243 1.597 1.00 0.00 N ATOM 427 CA VAL A 29 10.236 4.858 1.344 1.00 0.00 C ATOM 428 C VAL A 29 9.807 4.198 2.656 1.00 0.00 C ATOM 429 O VAL A 29 10.538 4.238 3.644 1.00 0.00 O ATOM 430 CB VAL A 29 11.400 4.133 0.664 1.00 0.00 C ATOM 431 CG1 VAL A 29 11.109 2.637 0.528 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.713 4.756 -0.698 1.00 0.00 C ATOM 0 HA VAL A 29 9.390 4.802 0.660 1.00 0.00 H new ATOM 0 HB VAL A 29 12.281 4.247 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.952 2.145 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.958 2.204 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.210 2.494 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.544 4.222 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.835 4.687 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.984 5.804 -0.565 1.00 0.00 H new ATOM 442 N VAL A 30 8.622 3.606 2.623 1.00 0.00 N ATOM 443 CA VAL A 30 8.086 2.939 3.797 1.00 0.00 C ATOM 444 C VAL A 30 8.054 1.429 3.551 1.00 0.00 C ATOM 445 O VAL A 30 8.178 0.980 2.413 1.00 0.00 O ATOM 446 CB VAL A 30 6.713 3.517 4.147 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.849 4.749 5.044 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.918 3.845 2.881 1.00 0.00 C ATOM 0 H VAL A 30 8.018 3.575 1.802 1.00 0.00 H new ATOM 0 HA VAL A 30 8.727 3.114 4.661 1.00 0.00 H new ATOM 0 HB VAL A 30 6.161 2.758 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.859 5.140 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.357 4.472 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.428 5.514 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.946 4.254 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.465 4.578 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.776 2.937 2.295 1.00 0.00 H new ATOM 458 N ARG A 31 7.886 0.688 4.636 1.00 0.00 N ATOM 459 CA ARG A 31 7.836 -0.761 4.552 1.00 0.00 C ATOM 460 C ARG A 31 6.583 -1.291 5.252 1.00 0.00 C ATOM 461 O ARG A 31 6.207 -0.799 6.315 1.00 0.00 O ATOM 462 CB ARG A 31 9.075 -1.393 5.191 1.00 0.00 C ATOM 463 CG ARG A 31 9.029 -2.919 5.083 1.00 0.00 C ATOM 464 CD ARG A 31 9.521 -3.387 3.711 1.00 0.00 C ATOM 465 NE ARG A 31 10.984 -3.192 3.605 1.00 0.00 N ATOM 466 CZ ARG A 31 11.890 -3.926 4.267 1.00 0.00 C ATOM 467 NH1 ARG A 31 11.487 -4.907 5.086 1.00 0.00 N ATOM 468 NH2 ARG A 31 13.197 -3.678 4.109 1.00 0.00 N ATOM 0 H ARG A 31 7.783 1.064 5.578 1.00 0.00 H new ATOM 0 HA ARG A 31 7.808 -1.031 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.973 -1.017 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.137 -1.101 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.646 -3.361 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.009 -3.268 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.275 -4.439 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.013 -2.830 2.924 1.00 0.00 H new ATOM 0 HE ARG A 31 11.325 -2.453 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.492 -5.095 5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.176 -5.466 5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.503 -2.931 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.887 -4.236 4.612 1.00 0.00 H new ATOM 482 N ILE A 32 5.971 -2.286 4.628 1.00 0.00 N ATOM 483 CA ILE A 32 4.768 -2.888 5.178 1.00 0.00 C ATOM 484 C ILE A 32 4.982 -4.395 5.334 1.00 0.00 C ATOM 485 O ILE A 32 5.550 -5.039 4.453 1.00 0.00 O ATOM 486 CB ILE A 32 3.550 -2.525 4.327 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.489 -1.017 4.073 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.261 -3.052 4.961 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.162 -0.625 3.418 1.00 0.00 C ATOM 0 H ILE A 32 6.286 -2.691 3.746 1.00 0.00 H new ATOM 0 HA ILE A 32 4.564 -2.490 6.172 1.00 0.00 H new ATOM 0 HB ILE A 32 3.654 -3.011 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.606 -0.481 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.318 -0.719 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.410 -2.780 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.315 -4.137 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.138 -2.615 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.144 0.452 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.059 -1.144 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.337 -0.903 4.074 1.00 0.00 H new ATOM 501 N SER A 33 4.517 -4.913 6.461 1.00 0.00 N ATOM 502 CA SER A 33 4.650 -6.332 6.743 1.00 0.00 C ATOM 503 C SER A 33 3.279 -6.934 7.060 1.00 0.00 C ATOM 504 O SER A 33 2.582 -6.462 7.957 1.00 0.00 O ATOM 505 CB SER A 33 5.616 -6.574 7.905 1.00 0.00 C ATOM 506 OG SER A 33 6.468 -5.455 8.132 1.00 0.00 O ATOM 0 H SER A 33 4.048 -4.375 7.190 1.00 0.00 H new ATOM 0 HA SER A 33 5.058 -6.819 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.048 -6.787 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.223 -7.455 7.695 1.00 0.00 H new ATOM 0 HG SER A 33 7.068 -5.648 8.882 1.00 0.00 H new ATOM 512 N ALA A 34 2.933 -7.966 6.305 1.00 0.00 N ATOM 513 CA ALA A 34 1.658 -8.637 6.494 1.00 0.00 C ATOM 514 C ALA A 34 1.697 -10.001 5.801 1.00 0.00 C ATOM 515 O ALA A 34 2.550 -10.244 4.949 1.00 0.00 O ATOM 516 CB ALA A 34 0.530 -7.747 5.967 1.00 0.00 C ATOM 0 H ALA A 34 3.513 -8.354 5.561 1.00 0.00 H new ATOM 0 HA ALA A 34 1.469 -8.811 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.427 -8.250 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.527 -6.802 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.685 -7.554 4.905 1.00 0.00 H new ATOM 522 N LYS A 35 0.762 -10.854 6.192 1.00 0.00 N ATOM 523 CA LYS A 35 0.678 -12.187 5.619 1.00 0.00 C ATOM 524 C LYS A 35 0.556 -12.077 4.098 1.00 0.00 C ATOM 525 O LYS A 35 0.010 -11.101 3.585 1.00 0.00 O ATOM 526 CB LYS A 35 -0.455 -12.980 6.272 1.00 0.00 C ATOM 527 CG LYS A 35 -1.712 -12.120 6.420 1.00 0.00 C ATOM 528 CD LYS A 35 -1.960 -11.761 7.886 1.00 0.00 C ATOM 529 CE LYS A 35 -2.156 -10.253 8.056 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.718 -9.821 9.402 1.00 0.00 N ATOM 0 H LYS A 35 0.056 -10.648 6.899 1.00 0.00 H new ATOM 0 HA LYS A 35 1.589 -12.749 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.681 -13.860 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.137 -13.337 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.605 -11.209 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.573 -12.657 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.842 -12.289 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.117 -12.092 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.589 -9.719 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.206 -9.998 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.858 -8.795 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.277 -10.317 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.711 -10.046 9.528 1.00 0.00 H new ATOM 544 N PRO A 36 1.087 -13.117 3.402 1.00 0.00 N ATOM 545 CA PRO A 36 1.042 -13.147 1.950 1.00 0.00 C ATOM 546 C PRO A 36 -0.364 -13.486 1.451 1.00 0.00 C ATOM 547 O PRO A 36 -0.957 -12.723 0.689 1.00 0.00 O ATOM 548 CB PRO A 36 2.081 -14.180 1.545 1.00 0.00 C ATOM 549 CG PRO A 36 2.337 -15.022 2.785 1.00 0.00 C ATOM 550 CD PRO A 36 1.741 -14.289 3.976 1.00 0.00 C ATOM 0 HA PRO A 36 1.267 -12.179 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.719 -14.796 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.998 -13.699 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.884 -16.008 2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.407 -15.176 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.029 -14.917 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.512 -14.002 4.690 1.00 0.00 H new ATOM 558 N THR A 37 -0.857 -14.630 1.901 1.00 0.00 N ATOM 559 CA THR A 37 -2.183 -15.079 1.511 1.00 0.00 C ATOM 560 C THR A 37 -3.146 -13.893 1.432 1.00 0.00 C ATOM 561 O THR A 37 -3.833 -13.712 0.428 1.00 0.00 O ATOM 562 CB THR A 37 -2.627 -16.158 2.500 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.246 -15.641 3.772 1.00 0.00 O ATOM 564 CG2 THR A 37 -1.815 -17.448 2.364 1.00 0.00 C ATOM 0 H THR A 37 -0.362 -15.260 2.532 1.00 0.00 H new ATOM 0 HA THR A 37 -2.174 -15.517 0.513 1.00 0.00 H new ATOM 0 HB THR A 37 -3.684 -16.377 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.499 -16.278 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.171 -18.180 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.933 -17.848 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.762 -17.236 2.549 1.00 0.00 H new ATOM 572 N LYS A 38 -3.166 -13.116 2.505 1.00 0.00 N ATOM 573 CA LYS A 38 -4.033 -11.952 2.570 1.00 0.00 C ATOM 574 C LYS A 38 -3.926 -11.167 1.261 1.00 0.00 C ATOM 575 O LYS A 38 -3.048 -11.435 0.442 1.00 0.00 O ATOM 576 CB LYS A 38 -3.720 -11.119 3.814 1.00 0.00 C ATOM 577 CG LYS A 38 -4.951 -10.991 4.713 1.00 0.00 C ATOM 578 CD LYS A 38 -4.964 -9.643 5.437 1.00 0.00 C ATOM 579 CE LYS A 38 -5.554 -9.780 6.841 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.344 -8.536 7.616 1.00 0.00 N ATOM 0 H LYS A 38 -2.596 -13.270 3.336 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.074 -12.258 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.906 -11.582 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.379 -10.128 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.856 -11.095 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.958 -11.800 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.949 -9.251 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.547 -8.923 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.620 -9.998 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.089 -10.620 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.766 -8.640 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.324 -8.353 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.794 -7.739 7.122 1.00 0.00 H new ATOM 594 N ARG A 39 -4.832 -10.214 1.104 1.00 0.00 N ATOM 595 CA ARG A 39 -4.850 -9.388 -0.092 1.00 0.00 C ATOM 596 C ARG A 39 -4.073 -8.092 0.146 1.00 0.00 C ATOM 597 O ARG A 39 -3.502 -7.894 1.218 1.00 0.00 O ATOM 598 CB ARG A 39 -6.284 -9.046 -0.503 1.00 0.00 C ATOM 599 CG ARG A 39 -7.093 -10.315 -0.779 1.00 0.00 C ATOM 600 CD ARG A 39 -8.488 -9.973 -1.306 1.00 0.00 C ATOM 601 NE ARG A 39 -9.517 -10.415 -0.339 1.00 0.00 N ATOM 602 CZ ARG A 39 -10.813 -10.572 -0.640 1.00 0.00 C ATOM 603 NH1 ARG A 39 -11.247 -10.323 -1.883 1.00 0.00 N ATOM 604 NH2 ARG A 39 -11.675 -10.978 0.302 1.00 0.00 N ATOM 0 H ARG A 39 -5.559 -9.995 1.785 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.379 -9.956 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.765 -8.469 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.271 -8.418 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.568 -10.934 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.180 -10.901 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.570 -8.899 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.651 -10.457 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.221 -10.613 0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.591 -10.014 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.234 -10.443 -2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.344 -11.167 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.662 -11.098 0.073 1.00 0.00 H new ATOM 618 N LEU A 40 -4.075 -7.243 -0.871 1.00 0.00 N ATOM 619 CA LEU A 40 -3.377 -5.972 -0.786 1.00 0.00 C ATOM 620 C LEU A 40 -4.254 -4.961 -0.045 1.00 0.00 C ATOM 621 O LEU A 40 -3.744 -4.040 0.592 1.00 0.00 O ATOM 622 CB LEU A 40 -2.942 -5.505 -2.177 1.00 0.00 C ATOM 623 CG LEU A 40 -1.434 -5.459 -2.428 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.131 -5.238 -3.911 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.762 -4.406 -1.543 1.00 0.00 C ATOM 0 H LEU A 40 -4.549 -7.411 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.458 -6.081 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.394 -6.165 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.349 -4.508 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.013 -6.426 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.052 -5.209 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.557 -6.054 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.568 -4.293 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.310 -4.394 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.182 -3.425 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.934 -4.649 -0.494 1.00 0.00 H new ATOM 637 N GLN A 41 -5.559 -5.168 -0.151 1.00 0.00 N ATOM 638 CA GLN A 41 -6.512 -4.286 0.501 1.00 0.00 C ATOM 639 C GLN A 41 -6.702 -4.698 1.962 1.00 0.00 C ATOM 640 O GLN A 41 -6.843 -3.846 2.838 1.00 0.00 O ATOM 641 CB GLN A 41 -7.848 -4.276 -0.244 1.00 0.00 C ATOM 642 CG GLN A 41 -8.733 -5.442 0.202 1.00 0.00 C ATOM 643 CD GLN A 41 -9.855 -5.695 -0.808 1.00 0.00 C ATOM 644 OE1 GLN A 41 -9.690 -6.390 -1.797 1.00 0.00 O ATOM 645 NE2 GLN A 41 -11.002 -5.095 -0.504 1.00 0.00 N ATOM 0 H GLN A 41 -5.978 -5.934 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.114 -3.272 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.363 -3.333 -0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.670 -4.339 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.128 -6.342 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.161 -5.225 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.072 -4.527 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.812 -5.203 -1.115 1.00 0.00 H new ATOM 654 N GLU A 42 -6.699 -6.005 2.180 1.00 0.00 N ATOM 655 CA GLU A 42 -6.869 -6.540 3.520 1.00 0.00 C ATOM 656 C GLU A 42 -5.596 -6.329 4.342 1.00 0.00 C ATOM 657 O GLU A 42 -5.648 -6.274 5.570 1.00 0.00 O ATOM 658 CB GLU A 42 -7.253 -8.021 3.475 1.00 0.00 C ATOM 659 CG GLU A 42 -8.498 -8.238 2.612 1.00 0.00 C ATOM 660 CD GLU A 42 -9.596 -8.951 3.403 1.00 0.00 C ATOM 661 OE1 GLU A 42 -10.316 -8.242 4.139 1.00 0.00 O ATOM 662 OE2 GLU A 42 -9.691 -10.189 3.254 1.00 0.00 O ATOM 0 H GLU A 42 -6.582 -6.709 1.451 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.684 -6.001 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.423 -8.604 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.439 -8.383 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.868 -7.278 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.237 -8.827 1.733 1.00 0.00 H new ATOM 669 N ALA A 43 -4.484 -6.216 3.632 1.00 0.00 N ATOM 670 CA ALA A 43 -3.199 -6.012 4.280 1.00 0.00 C ATOM 671 C ALA A 43 -2.983 -4.515 4.513 1.00 0.00 C ATOM 672 O ALA A 43 -2.225 -4.125 5.401 1.00 0.00 O ATOM 673 CB ALA A 43 -2.092 -6.635 3.428 1.00 0.00 C ATOM 0 H ALA A 43 -4.446 -6.262 2.614 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.177 -6.504 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.129 -6.482 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.276 -7.704 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.081 -6.164 2.445 1.00 0.00 H new ATOM 679 N LEU A 44 -3.661 -3.718 3.702 1.00 0.00 N ATOM 680 CA LEU A 44 -3.553 -2.273 3.809 1.00 0.00 C ATOM 681 C LEU A 44 -4.693 -1.743 4.680 1.00 0.00 C ATOM 682 O LEU A 44 -4.656 -0.599 5.129 1.00 0.00 O ATOM 683 CB LEU A 44 -3.494 -1.636 2.419 1.00 0.00 C ATOM 684 CG LEU A 44 -2.218 -1.896 1.616 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.326 -0.653 1.585 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.474 -3.122 2.149 1.00 0.00 C ATOM 0 H LEU A 44 -4.288 -4.045 2.967 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.621 -1.996 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.344 -1.996 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.617 -0.559 2.529 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.502 -2.114 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.426 -0.865 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.868 0.172 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.048 -0.379 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.571 -3.284 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.203 -2.958 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.117 -3.999 2.075 1.00 0.00 H new ATOM 698 N GLN A 45 -5.680 -2.601 4.893 1.00 0.00 N ATOM 699 CA GLN A 45 -6.830 -2.234 5.702 1.00 0.00 C ATOM 700 C GLN A 45 -6.376 -1.764 7.086 1.00 0.00 C ATOM 701 O GLN A 45 -6.781 -0.698 7.547 1.00 0.00 O ATOM 702 CB GLN A 45 -7.816 -3.398 5.814 1.00 0.00 C ATOM 703 CG GLN A 45 -9.096 -3.110 5.027 1.00 0.00 C ATOM 704 CD GLN A 45 -10.257 -2.782 5.969 1.00 0.00 C ATOM 705 OE1 GLN A 45 -10.112 -2.071 6.950 1.00 0.00 O ATOM 706 NE2 GLN A 45 -11.412 -3.338 5.617 1.00 0.00 N ATOM 0 H GLN A 45 -5.707 -3.550 4.519 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.347 -1.410 5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.352 -4.310 5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.061 -3.573 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.929 -2.275 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.353 -3.974 4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.463 -3.923 4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.247 -3.180 6.181 1.00 0.00 H new ATOM 715 N PRO A 46 -5.519 -2.604 7.726 1.00 0.00 N ATOM 716 CA PRO A 46 -5.006 -2.285 9.047 1.00 0.00 C ATOM 717 C PRO A 46 -3.936 -1.195 8.972 1.00 0.00 C ATOM 718 O PRO A 46 -3.425 -0.750 9.998 1.00 0.00 O ATOM 719 CB PRO A 46 -4.476 -3.602 9.591 1.00 0.00 C ATOM 720 CG PRO A 46 -4.287 -4.506 8.384 1.00 0.00 C ATOM 721 CD PRO A 46 -5.018 -3.875 7.210 1.00 0.00 C ATOM 0 HA PRO A 46 -5.770 -1.875 9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.534 -3.455 10.120 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.176 -4.041 10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.227 -4.622 8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.680 -5.502 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.349 -3.723 6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.833 -4.510 6.863 1.00 0.00 H new ATOM 729 N ILE A 47 -3.628 -0.797 7.746 1.00 0.00 N ATOM 730 CA ILE A 47 -2.627 0.233 7.523 1.00 0.00 C ATOM 731 C ILE A 47 -3.326 1.569 7.261 1.00 0.00 C ATOM 732 O ILE A 47 -2.956 2.591 7.837 1.00 0.00 O ATOM 733 CB ILE A 47 -1.665 -0.186 6.410 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.758 -1.329 6.870 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.863 1.012 5.898 1.00 0.00 C ATOM 736 CD1 ILE A 47 -0.034 -0.965 8.168 1.00 0.00 C ATOM 0 H ILE A 47 -4.054 -1.169 6.897 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.011 0.364 8.412 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.254 -0.560 5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.351 -2.231 7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.028 -1.554 6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.187 0.686 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.545 1.765 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.284 1.439 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.604 -1.794 8.474 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.577 -0.077 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.767 -0.764 8.949 1.00 0.00 H new ATOM 748 N LEU A 48 -4.324 1.518 6.392 1.00 0.00 N ATOM 749 CA LEU A 48 -5.078 2.711 6.046 1.00 0.00 C ATOM 750 C LEU A 48 -5.847 3.197 7.277 1.00 0.00 C ATOM 751 O LEU A 48 -5.827 4.384 7.597 1.00 0.00 O ATOM 752 CB LEU A 48 -5.967 2.450 4.829 1.00 0.00 C ATOM 753 CG LEU A 48 -5.261 1.898 3.589 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.224 1.077 2.729 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.596 3.022 2.791 1.00 0.00 C ATOM 0 H LEU A 48 -4.629 0.669 5.917 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.404 3.516 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.750 1.749 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.460 3.383 4.557 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.470 1.225 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.697 0.697 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.610 0.241 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.052 1.708 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.101 2.603 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.353 3.739 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.860 3.526 3.417 1.00 0.00 H new ATOM 767 N ALA A 49 -6.507 2.253 7.933 1.00 0.00 N ATOM 768 CA ALA A 49 -7.281 2.570 9.121 1.00 0.00 C ATOM 769 C ALA A 49 -6.353 3.152 10.189 1.00 0.00 C ATOM 770 O ALA A 49 -6.749 4.039 10.944 1.00 0.00 O ATOM 771 CB ALA A 49 -8.012 1.316 9.604 1.00 0.00 C ATOM 0 H ALA A 49 -6.521 1.269 7.664 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.038 3.322 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.593 1.554 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.680 0.960 8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.285 0.540 9.841 1.00 0.00 H new ATOM 777 N LYS A 50 -5.136 2.629 10.219 1.00 0.00 N ATOM 778 CA LYS A 50 -4.148 3.085 11.182 1.00 0.00 C ATOM 779 C LYS A 50 -3.512 4.382 10.678 1.00 0.00 C ATOM 780 O LYS A 50 -2.878 5.105 11.444 1.00 0.00 O ATOM 781 CB LYS A 50 -3.135 1.977 11.476 1.00 0.00 C ATOM 782 CG LYS A 50 -2.576 2.109 12.894 1.00 0.00 C ATOM 783 CD LYS A 50 -3.242 1.110 13.842 1.00 0.00 C ATOM 784 CE LYS A 50 -3.615 1.776 15.168 1.00 0.00 C ATOM 785 NZ LYS A 50 -4.142 0.774 16.121 1.00 0.00 N ATOM 0 H LYS A 50 -4.812 1.893 9.591 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.623 3.312 12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.611 1.003 11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.320 2.023 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.499 1.941 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.736 3.124 13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.136 0.699 13.373 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.567 0.274 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.740 2.267 15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.362 2.550 14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.390 1.243 17.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.989 0.324 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.417 0.050 16.299 1.00 0.00 H new ATOM 799 N HIS A 51 -3.704 4.637 9.392 1.00 0.00 N ATOM 800 CA HIS A 51 -3.157 5.835 8.777 1.00 0.00 C ATOM 801 C HIS A 51 -4.290 6.812 8.459 1.00 0.00 C ATOM 802 O HIS A 51 -4.071 7.830 7.805 1.00 0.00 O ATOM 803 CB HIS A 51 -2.319 5.479 7.547 1.00 0.00 C ATOM 804 CG HIS A 51 -0.962 4.903 7.874 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.657 3.563 7.711 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.167 5.499 8.355 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.601 3.372 8.081 1.00 0.00 C ATOM 808 NE2 HIS A 51 1.109 4.573 8.481 1.00 0.00 N ATOM 0 H HIS A 51 -4.230 4.035 8.759 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.482 6.331 9.475 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.870 4.761 6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.186 6.374 6.940 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.293 2.844 7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.276 6.547 8.593 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.131 2.431 8.068 1.00 0.00 H new ATOM 816 N GLY A 52 -5.477 6.468 8.938 1.00 0.00 N ATOM 817 CA GLY A 52 -6.645 7.303 8.713 1.00 0.00 C ATOM 818 C GLY A 52 -6.971 7.399 7.222 1.00 0.00 C ATOM 819 O GLY A 52 -7.790 8.222 6.814 1.00 0.00 O ATOM 0 H GLY A 52 -5.655 5.623 9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.500 6.891 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.466 8.300 9.115 1.00 0.00 H new ATOM 823 N LEU A 53 -6.315 6.547 6.449 1.00 0.00 N ATOM 824 CA LEU A 53 -6.525 6.525 5.011 1.00 0.00 C ATOM 825 C LEU A 53 -7.695 5.595 4.685 1.00 0.00 C ATOM 826 O LEU A 53 -8.421 5.167 5.581 1.00 0.00 O ATOM 827 CB LEU A 53 -5.229 6.161 4.285 1.00 0.00 C ATOM 828 CG LEU A 53 -4.005 7.013 4.629 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.711 6.302 4.228 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.112 8.405 4.003 1.00 0.00 C ATOM 0 H LEU A 53 -5.637 5.866 6.791 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.796 7.517 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.994 5.119 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.405 6.231 3.212 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.976 7.148 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.857 6.929 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.637 5.354 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.716 6.116 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.230 8.990 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.179 8.312 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.003 8.906 4.380 1.00 0.00 H new ATOM 842 N SER A 54 -7.841 5.308 3.400 1.00 0.00 N ATOM 843 CA SER A 54 -8.910 4.436 2.944 1.00 0.00 C ATOM 844 C SER A 54 -8.502 3.744 1.643 1.00 0.00 C ATOM 845 O SER A 54 -7.525 4.136 1.006 1.00 0.00 O ATOM 846 CB SER A 54 -10.211 5.217 2.745 1.00 0.00 C ATOM 847 OG SER A 54 -10.691 5.775 3.965 1.00 0.00 O ATOM 0 H SER A 54 -7.236 5.664 2.660 1.00 0.00 H new ATOM 0 HA SER A 54 -9.085 3.681 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.047 6.015 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.970 4.556 2.325 1.00 0.00 H new ATOM 0 HG SER A 54 -11.522 6.267 3.795 1.00 0.00 H new ATOM 853 N LEU A 55 -9.271 2.725 1.285 1.00 0.00 N ATOM 854 CA LEU A 55 -9.001 1.975 0.070 1.00 0.00 C ATOM 855 C LEU A 55 -9.542 2.749 -1.133 1.00 0.00 C ATOM 856 O LEU A 55 -9.017 2.630 -2.239 1.00 0.00 O ATOM 857 CB LEU A 55 -9.553 0.553 0.186 1.00 0.00 C ATOM 858 CG LEU A 55 -8.886 -0.344 1.231 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.829 -1.463 1.676 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.552 -0.889 0.714 1.00 0.00 C ATOM 0 H LEU A 55 -10.080 2.402 1.815 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.927 1.864 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.617 0.615 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.465 0.070 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.668 0.261 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.330 -2.086 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.729 -1.029 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.101 -2.073 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.098 -1.523 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.724 -1.473 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.883 -0.059 0.488 1.00 0.00 H new ATOM 872 N ASP A 56 -10.585 3.524 -0.877 1.00 0.00 N ATOM 873 CA ASP A 56 -11.204 4.318 -1.926 1.00 0.00 C ATOM 874 C ASP A 56 -10.721 5.766 -1.815 1.00 0.00 C ATOM 875 O ASP A 56 -11.449 6.694 -2.162 1.00 0.00 O ATOM 876 CB ASP A 56 -12.728 4.316 -1.792 1.00 0.00 C ATOM 877 CG ASP A 56 -13.493 4.306 -3.117 1.00 0.00 C ATOM 878 OD1 ASP A 56 -12.815 4.212 -4.163 1.00 0.00 O ATOM 879 OD2 ASP A 56 -14.738 4.392 -3.053 1.00 0.00 O ATOM 0 H ASP A 56 -11.018 3.620 0.042 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.926 3.884 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.026 3.443 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.029 5.195 -1.223 1.00 0.00 H new ATOM 884 N GLN A 57 -9.497 5.913 -1.330 1.00 0.00 N ATOM 885 CA GLN A 57 -8.909 7.232 -1.170 1.00 0.00 C ATOM 886 C GLN A 57 -7.497 7.258 -1.758 1.00 0.00 C ATOM 887 O GLN A 57 -7.146 8.176 -2.498 1.00 0.00 O ATOM 888 CB GLN A 57 -8.898 7.652 0.302 1.00 0.00 C ATOM 889 CG GLN A 57 -10.299 8.053 0.768 1.00 0.00 C ATOM 890 CD GLN A 57 -10.698 9.415 0.197 1.00 0.00 C ATOM 891 OE1 GLN A 57 -10.082 10.434 0.465 1.00 0.00 O ATOM 892 NE2 GLN A 57 -11.760 9.377 -0.603 1.00 0.00 N ATOM 0 H GLN A 57 -8.896 5.140 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.522 7.951 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.528 6.831 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.212 8.487 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.020 7.298 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.328 8.089 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.229 8.490 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.105 10.235 -1.034 1.00 0.00 H new ATOM 901 N VAL A 58 -6.724 6.241 -1.406 1.00 0.00 N ATOM 902 CA VAL A 58 -5.358 6.136 -1.890 1.00 0.00 C ATOM 903 C VAL A 58 -5.330 5.250 -3.137 1.00 0.00 C ATOM 904 O VAL A 58 -6.136 4.330 -3.268 1.00 0.00 O ATOM 905 CB VAL A 58 -4.445 5.626 -0.773 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.726 6.357 0.541 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.584 4.112 -0.600 1.00 0.00 C ATOM 0 H VAL A 58 -7.018 5.482 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.979 7.116 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.415 5.837 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.064 5.976 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.552 7.425 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.763 6.192 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.925 3.775 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.616 3.868 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.311 3.613 -1.530 1.00 0.00 H new ATOM 917 N VAL A 59 -4.394 5.559 -4.022 1.00 0.00 N ATOM 918 CA VAL A 59 -4.250 4.802 -5.254 1.00 0.00 C ATOM 919 C VAL A 59 -2.874 4.133 -5.279 1.00 0.00 C ATOM 920 O VAL A 59 -1.859 4.783 -5.032 1.00 0.00 O ATOM 921 CB VAL A 59 -4.493 5.713 -6.459 1.00 0.00 C ATOM 922 CG1 VAL A 59 -4.261 4.960 -7.771 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.898 6.317 -6.415 1.00 0.00 C ATOM 0 H VAL A 59 -3.728 6.323 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.998 4.010 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.775 6.531 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.440 5.630 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.233 4.600 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.944 4.113 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.045 6.960 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.638 5.517 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.013 6.905 -5.504 1.00 0.00 H new ATOM 933 N LEU A 60 -2.884 2.842 -5.579 1.00 0.00 N ATOM 934 CA LEU A 60 -1.650 2.078 -5.639 1.00 0.00 C ATOM 935 C LEU A 60 -1.305 1.789 -7.101 1.00 0.00 C ATOM 936 O LEU A 60 -2.197 1.612 -7.930 1.00 0.00 O ATOM 937 CB LEU A 60 -1.755 0.822 -4.772 1.00 0.00 C ATOM 938 CG LEU A 60 -0.566 0.541 -3.851 1.00 0.00 C ATOM 939 CD1 LEU A 60 0.691 0.220 -4.662 1.00 0.00 C ATOM 940 CD2 LEU A 60 -0.340 1.700 -2.878 1.00 0.00 C ATOM 0 H LEU A 60 -3.728 2.306 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.824 2.655 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.653 0.902 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.892 -0.038 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.798 -0.340 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.521 0.024 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.511 -0.660 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.937 1.067 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.511 1.475 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.139 2.612 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.231 1.840 -2.265 1.00 0.00 H new ATOM 952 N HIS A 61 -0.009 1.750 -7.373 1.00 0.00 N ATOM 953 CA HIS A 61 0.465 1.485 -8.721 1.00 0.00 C ATOM 954 C HIS A 61 1.992 1.383 -8.717 1.00 0.00 C ATOM 955 O HIS A 61 2.681 2.355 -8.414 1.00 0.00 O ATOM 956 CB HIS A 61 -0.056 2.541 -9.697 1.00 0.00 C ATOM 957 CG HIS A 61 0.596 3.894 -9.545 1.00 0.00 C ATOM 958 ND1 HIS A 61 1.852 4.182 -10.049 1.00 0.00 N ATOM 959 CD2 HIS A 61 0.154 5.034 -8.940 1.00 0.00 C ATOM 960 CE1 HIS A 61 2.143 5.441 -9.755 1.00 0.00 C ATOM 961 NE2 HIS A 61 1.089 5.967 -9.067 1.00 0.00 N ATOM 0 H HIS A 61 0.728 1.897 -6.683 1.00 0.00 H new ATOM 0 HA HIS A 61 0.072 0.529 -9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.099 2.187 -10.716 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.132 2.650 -9.558 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.452 3.535 -10.560 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.796 5.156 -8.442 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.054 5.959 -10.014 1.00 0.00 H new ATOM 969 N ARG A 62 2.474 0.197 -9.059 1.00 0.00 N ATOM 970 CA ARG A 62 3.906 -0.044 -9.099 1.00 0.00 C ATOM 971 C ARG A 62 4.618 1.100 -9.824 1.00 0.00 C ATOM 972 O ARG A 62 3.990 1.857 -10.562 1.00 0.00 O ATOM 973 CB ARG A 62 4.223 -1.363 -9.807 1.00 0.00 C ATOM 974 CG ARG A 62 4.180 -2.536 -8.826 1.00 0.00 C ATOM 975 CD ARG A 62 4.029 -3.866 -9.568 1.00 0.00 C ATOM 976 NE ARG A 62 5.299 -4.623 -9.513 1.00 0.00 N ATOM 977 CZ ARG A 62 5.581 -5.676 -10.292 1.00 0.00 C ATOM 978 NH1 ARG A 62 4.684 -6.103 -11.191 1.00 0.00 N ATOM 979 NH2 ARG A 62 6.759 -6.303 -10.172 1.00 0.00 N ATOM 0 H ARG A 62 1.899 -0.607 -9.311 1.00 0.00 H new ATOM 0 HA ARG A 62 4.261 -0.102 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.506 -1.530 -10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.209 -1.305 -10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.092 -2.550 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.348 -2.405 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.227 -4.453 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.750 -3.683 -10.606 1.00 0.00 H new ATOM 0 HE ARG A 62 6.004 -4.324 -8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.787 -5.626 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.898 -6.905 -11.784 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.442 -5.979 -9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.973 -7.105 -10.765 1.00 0.00 H new ATOM 1111 N LEU A 71 -5.728 -4.496 -5.555 1.00 0.00 N ATOM 1112 CA LEU A 71 -5.497 -4.871 -4.170 1.00 0.00 C ATOM 1113 C LEU A 71 -5.994 -6.300 -3.943 1.00 0.00 C ATOM 1114 O LEU A 71 -5.485 -7.008 -3.076 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.125 -3.844 -3.225 1.00 0.00 C ATOM 1116 CG LEU A 71 -5.836 -2.375 -3.542 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -7.062 -1.503 -3.268 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.601 -1.884 -2.784 1.00 0.00 C ATOM 0 HA LEU A 71 -4.430 -4.865 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.205 -3.990 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.778 -4.052 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.615 -2.292 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.829 -0.464 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.893 -1.837 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.339 -1.585 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.417 -0.837 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.769 -1.984 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.736 -2.481 -3.073 1.00 0.00 H new ATOM 1130 N GLU A 72 -6.983 -6.682 -4.738 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.555 -8.013 -4.635 1.00 0.00 C ATOM 1132 C GLU A 72 -6.451 -9.071 -4.697 1.00 0.00 C ATOM 1133 O GLU A 72 -6.646 -10.203 -4.258 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.600 -8.247 -5.727 1.00 0.00 C ATOM 1135 CG GLU A 72 -7.938 -8.393 -7.099 1.00 0.00 C ATOM 1136 CD GLU A 72 -8.759 -7.690 -8.182 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -9.349 -6.638 -7.853 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -8.777 -8.220 -9.314 1.00 0.00 O ATOM 0 H GLU A 72 -7.403 -6.092 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.059 -8.097 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.174 -9.145 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.304 -7.415 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.933 -7.972 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.833 -9.450 -7.346 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.316 -8.664 -5.247 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.181 -9.563 -5.372 1.00 0.00 C ATOM 1147 C ASN A 73 -3.510 -9.724 -4.007 1.00 0.00 C ATOM 1148 O ASN A 73 -3.533 -8.806 -3.188 1.00 0.00 O ATOM 1149 CB ASN A 73 -3.142 -9.005 -6.347 1.00 0.00 C ATOM 1150 CG ASN A 73 -3.779 -8.672 -7.697 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -4.888 -9.076 -8.006 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -3.019 -7.914 -8.482 1.00 0.00 N ATOM 0 H ASN A 73 -5.158 -7.724 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.548 -10.520 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.687 -8.109 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.343 -9.733 -6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.356 -7.637 -9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.100 -7.610 -8.162 1.00 0.00 H new ATOM 1159 N PRO A 74 -2.914 -10.928 -3.798 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.238 -11.221 -2.545 1.00 0.00 C ATOM 1161 C PRO A 74 -0.890 -10.501 -2.468 1.00 0.00 C ATOM 1162 O PRO A 74 -0.151 -10.453 -3.450 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.105 -12.735 -2.515 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.289 -13.198 -3.951 1.00 0.00 C ATOM 1165 CD PRO A 74 -2.867 -12.038 -4.745 1.00 0.00 C ATOM 0 HA PRO A 74 -2.791 -10.865 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.130 -13.034 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.856 -13.180 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.336 -13.513 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.957 -14.059 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.243 -11.798 -5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.860 -12.275 -5.127 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.611 -9.959 -1.292 1.00 0.00 N ATOM 1174 CA VAL A 75 0.635 -9.243 -1.074 1.00 0.00 C ATOM 1175 C VAL A 75 1.811 -10.159 -1.419 1.00 0.00 C ATOM 1176 O VAL A 75 2.918 -9.685 -1.671 1.00 0.00 O ATOM 1177 CB VAL A 75 0.690 -8.715 0.361 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.314 -7.579 0.566 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.458 -9.841 1.370 1.00 0.00 C ATOM 0 H VAL A 75 -1.226 -10.001 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 75 0.696 -8.374 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 75 1.689 -8.314 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.254 -7.222 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.082 -6.761 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.322 -7.944 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.502 -9.438 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.522 -10.286 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.228 -10.603 1.249 1.00 0.00 H new ATOM 1189 N SER A 76 1.531 -11.454 -1.421 1.00 0.00 N ATOM 1190 CA SER A 76 2.552 -12.440 -1.731 1.00 0.00 C ATOM 1191 C SER A 76 3.194 -12.120 -3.082 1.00 0.00 C ATOM 1192 O SER A 76 4.348 -12.473 -3.324 1.00 0.00 O ATOM 1193 CB SER A 76 1.966 -13.854 -1.743 1.00 0.00 C ATOM 1194 OG SER A 76 2.953 -14.842 -1.461 1.00 0.00 O ATOM 0 H SER A 76 0.611 -11.843 -1.213 1.00 0.00 H new ATOM 0 HA SER A 76 3.315 -12.399 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.165 -13.921 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.521 -14.054 -2.718 1.00 0.00 H new ATOM 0 HG SER A 76 2.540 -15.731 -1.476 1.00 0.00 H new ATOM 1200 N SER A 77 2.420 -11.456 -3.928 1.00 0.00 N ATOM 1201 CA SER A 77 2.899 -11.085 -5.248 1.00 0.00 C ATOM 1202 C SER A 77 3.733 -9.805 -5.162 1.00 0.00 C ATOM 1203 O SER A 77 4.753 -9.678 -5.838 1.00 0.00 O ATOM 1204 CB SER A 77 1.735 -10.895 -6.223 1.00 0.00 C ATOM 1205 OG SER A 77 1.991 -11.507 -7.485 1.00 0.00 O ATOM 0 H SER A 77 1.464 -11.165 -3.724 1.00 0.00 H new ATOM 0 HA SER A 77 3.525 -11.894 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.828 -11.319 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.552 -9.830 -6.367 1.00 0.00 H new ATOM 0 HG SER A 77 1.224 -11.365 -8.079 1.00 0.00 H new ATOM 1211 N VAL A 78 3.269 -8.890 -4.324 1.00 0.00 N ATOM 1212 CA VAL A 78 3.959 -7.625 -4.140 1.00 0.00 C ATOM 1213 C VAL A 78 4.935 -7.747 -2.968 1.00 0.00 C ATOM 1214 O VAL A 78 4.992 -6.868 -2.109 1.00 0.00 O ATOM 1215 CB VAL A 78 2.943 -6.496 -3.957 1.00 0.00 C ATOM 1216 CG1 VAL A 78 2.074 -6.332 -5.206 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.080 -6.731 -2.716 1.00 0.00 C ATOM 0 H VAL A 78 2.423 -9.000 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 78 4.544 -7.377 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 78 3.496 -5.568 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.361 -5.523 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.707 -6.097 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.534 -7.259 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.366 -5.914 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.541 -7.673 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.717 -6.774 -1.833 1.00 0.00 H new ATOM 1227 N ALA A 79 5.678 -8.844 -2.969 1.00 0.00 N ATOM 1228 CA ALA A 79 6.648 -9.092 -1.917 1.00 0.00 C ATOM 1229 C ALA A 79 8.035 -9.266 -2.538 1.00 0.00 C ATOM 1230 O ALA A 79 8.564 -10.376 -2.584 1.00 0.00 O ATOM 1231 CB ALA A 79 6.216 -10.313 -1.102 1.00 0.00 C ATOM 0 H ALA A 79 5.627 -9.571 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 79 6.698 -8.245 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.944 -10.499 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.238 -10.127 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.158 -11.184 -1.755 1.00 0.00 H new ATOM 1237 N SER A 80 8.585 -8.153 -3.001 1.00 0.00 N ATOM 1238 CA SER A 80 9.900 -8.169 -3.618 1.00 0.00 C ATOM 1239 C SER A 80 10.246 -6.776 -4.150 1.00 0.00 C ATOM 1240 O SER A 80 11.231 -6.174 -3.727 1.00 0.00 O ATOM 1241 CB SER A 80 9.967 -9.200 -4.746 1.00 0.00 C ATOM 1242 OG SER A 80 11.090 -10.066 -4.612 1.00 0.00 O ATOM 0 H SER A 80 8.144 -7.234 -2.961 1.00 0.00 H new ATOM 0 HA SER A 80 10.630 -8.453 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.052 -9.792 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.019 -8.685 -5.705 1.00 0.00 H new ATOM 0 HG SER A 80 11.096 -10.710 -5.350 1.00 0.00 H new ATOM 1248 N GLN A 81 9.415 -6.306 -5.069 1.00 0.00 N ATOM 1249 CA GLN A 81 9.620 -4.996 -5.663 1.00 0.00 C ATOM 1250 C GLN A 81 8.953 -3.916 -4.808 1.00 0.00 C ATOM 1251 O GLN A 81 8.137 -4.222 -3.941 1.00 0.00 O ATOM 1252 CB GLN A 81 9.098 -4.958 -7.100 1.00 0.00 C ATOM 1253 CG GLN A 81 10.253 -4.877 -8.101 1.00 0.00 C ATOM 1254 CD GLN A 81 10.734 -3.434 -8.267 1.00 0.00 C ATOM 1255 OE1 GLN A 81 11.709 -3.005 -7.672 1.00 0.00 O ATOM 1256 NE2 GLN A 81 9.997 -2.711 -9.106 1.00 0.00 N ATOM 0 H GLN A 81 8.599 -6.809 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 81 10.691 -4.796 -5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.502 -5.849 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.439 -4.099 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.078 -5.502 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.931 -5.270 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.193 -3.132 -9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.236 -1.735 -9.284 1.00 0.00 H new ATOM 1265 N THR A 82 9.327 -2.675 -5.084 1.00 0.00 N ATOM 1266 CA THR A 82 8.775 -1.548 -4.351 1.00 0.00 C ATOM 1267 C THR A 82 7.565 -0.973 -5.090 1.00 0.00 C ATOM 1268 O THR A 82 7.605 -0.788 -6.305 1.00 0.00 O ATOM 1269 CB THR A 82 9.896 -0.529 -4.137 1.00 0.00 C ATOM 1270 OG1 THR A 82 10.688 -1.097 -3.097 1.00 0.00 O ATOM 1271 CG2 THR A 82 9.387 0.785 -3.541 1.00 0.00 C ATOM 0 H THR A 82 10.005 -2.425 -5.804 1.00 0.00 H new ATOM 0 HA THR A 82 8.404 -1.855 -3.373 1.00 0.00 H new ATOM 0 HB THR A 82 10.391 -0.329 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.440 -0.501 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.222 1.473 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.653 1.230 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.922 0.590 -2.575 1.00 0.00 H new ATOM 1279 N LEU A 83 6.517 -0.705 -4.324 1.00 0.00 N ATOM 1280 CA LEU A 83 5.297 -0.155 -4.890 1.00 0.00 C ATOM 1281 C LEU A 83 5.300 1.365 -4.715 1.00 0.00 C ATOM 1282 O LEU A 83 6.092 1.904 -3.945 1.00 0.00 O ATOM 1283 CB LEU A 83 4.070 -0.841 -4.288 1.00 0.00 C ATOM 1284 CG LEU A 83 4.153 -2.362 -4.148 1.00 0.00 C ATOM 1285 CD1 LEU A 83 3.224 -2.863 -3.041 1.00 0.00 C ATOM 1286 CD2 LEU A 83 3.875 -3.052 -5.486 1.00 0.00 C ATOM 0 H LEU A 83 6.488 -0.859 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 83 5.250 -0.353 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.888 -0.415 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.204 -0.600 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 83 5.170 -2.623 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.303 -3.947 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.511 -2.409 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.196 -2.590 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.940 -4.133 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.876 -2.787 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.611 -2.728 -6.222 1.00 0.00 H new ATOM 1298 N VAL A 84 4.403 2.014 -5.444 1.00 0.00 N ATOM 1299 CA VAL A 84 4.292 3.461 -5.379 1.00 0.00 C ATOM 1300 C VAL A 84 2.853 3.842 -5.026 1.00 0.00 C ATOM 1301 O VAL A 84 1.916 3.458 -5.723 1.00 0.00 O ATOM 1302 CB VAL A 84 4.769 4.082 -6.694 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.735 5.610 -6.623 1.00 0.00 C ATOM 1304 CG2 VAL A 84 6.167 3.581 -7.062 1.00 0.00 C ATOM 0 H VAL A 84 3.747 1.564 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 84 4.936 3.859 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 84 4.083 3.768 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.079 6.026 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.715 5.943 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.387 5.951 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.482 4.038 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.869 3.851 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.147 2.497 -7.175 1.00 0.00 H new ATOM 1314 N LEU A 85 2.723 4.593 -3.942 1.00 0.00 N ATOM 1315 CA LEU A 85 1.414 5.031 -3.487 1.00 0.00 C ATOM 1316 C LEU A 85 1.218 6.504 -3.851 1.00 0.00 C ATOM 1317 O LEU A 85 2.131 7.313 -3.693 1.00 0.00 O ATOM 1318 CB LEU A 85 1.240 4.738 -1.995 1.00 0.00 C ATOM 1319 CG LEU A 85 0.053 5.420 -1.312 1.00 0.00 C ATOM 1320 CD1 LEU A 85 0.302 6.921 -1.148 1.00 0.00 C ATOM 1321 CD2 LEU A 85 -1.250 5.134 -2.062 1.00 0.00 C ATOM 0 H LEU A 85 3.503 4.909 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 85 0.628 4.470 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.138 3.660 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.152 5.036 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.052 5.000 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.557 7.381 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.192 7.078 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.448 7.375 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.078 5.630 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.172 5.509 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.429 4.059 -2.083 1.00 0.00 H new ATOM 1333 N ASP A 86 0.022 6.807 -4.333 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.306 8.168 -4.721 1.00 0.00 C ATOM 1335 C ASP A 86 -1.513 8.648 -3.913 1.00 0.00 C ATOM 1336 O ASP A 86 -2.656 8.387 -4.283 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.670 8.245 -6.205 1.00 0.00 C ATOM 1338 CG ASP A 86 0.205 9.184 -7.038 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.106 9.805 -6.434 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.046 9.259 -8.260 1.00 0.00 O ATOM 0 H ASP A 86 -0.732 6.133 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 86 0.567 8.792 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.610 7.243 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.708 8.567 -6.293 1.00 0.00 H new ATOM 1345 N THR A 87 -1.217 9.342 -2.824 1.00 0.00 N ATOM 1346 CA THR A 87 -2.264 9.861 -1.960 1.00 0.00 C ATOM 1347 C THR A 87 -3.191 10.791 -2.745 1.00 0.00 C ATOM 1348 O THR A 87 -2.810 11.316 -3.790 1.00 0.00 O ATOM 1349 CB THR A 87 -1.596 10.539 -0.762 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.686 11.465 -1.350 1.00 0.00 O ATOM 1351 CG2 THR A 87 -0.697 9.583 0.025 1.00 0.00 C ATOM 0 H THR A 87 -0.267 9.557 -2.520 1.00 0.00 H new ATOM 0 HA THR A 87 -2.901 9.060 -1.585 1.00 0.00 H new ATOM 0 HB THR A 87 -2.362 10.945 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.211 11.950 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.248 10.114 0.864 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.292 8.750 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.089 9.203 -0.627 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.422 10.972 -2.197 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.407 11.830 -2.834 1.00 0.00 C ATOM 1361 C PRO A 88 -5.061 13.307 -2.631 1.00 0.00 C ATOM 1362 O PRO A 88 -4.139 13.635 -1.886 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.735 11.439 -2.207 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.388 10.711 -0.918 1.00 0.00 C ATOM 1365 CD PRO A 88 -4.908 10.367 -0.960 1.00 0.00 C ATOM 0 HA PRO A 88 -5.440 11.701 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.346 12.319 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.309 10.798 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.610 11.338 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.987 9.806 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.384 10.766 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.752 9.288 -0.959 1.00 0.00 H new