USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 439 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 15 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.46) USER MOD Single : A 16 GLN : amide:sc=-0.000268 X(o=-0.00027,f=0) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.692 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.69) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.792) USER MOD Single : A 55 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N ARG A 14 9.234 1.297 -8.324 1.00 0.00 N ATOM 230 CA ARG A 14 10.019 1.553 -7.123 1.00 0.00 C ATOM 231 C ARG A 14 10.288 3.046 -6.956 1.00 0.00 C ATOM 232 O ARG A 14 10.618 3.509 -5.865 1.00 0.00 O ATOM 233 CB ARG A 14 11.343 0.789 -7.180 1.00 0.00 C ATOM 234 CG ARG A 14 12.146 1.056 -8.442 1.00 0.00 C ATOM 235 CD ARG A 14 12.136 -0.146 -9.374 1.00 0.00 C ATOM 236 NE ARG A 14 13.252 -1.050 -9.112 1.00 0.00 N ATOM 237 CZ ARG A 14 14.486 -0.843 -9.559 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.760 0.232 -10.285 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.449 -1.712 -9.279 1.00 0.00 N ATOM 0 HA ARG A 14 9.444 1.207 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.946 1.058 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.140 -0.279 -7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.735 1.923 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.174 1.302 -8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.197 -0.687 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.182 0.196 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 14 13.075 -1.886 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.023 0.903 -10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.708 0.388 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.242 -2.540 -8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.396 -1.552 -9.623 1.00 0.00 H new ATOM 253 N GLN A 15 10.145 3.793 -8.046 1.00 0.00 N ATOM 254 CA GLN A 15 10.374 5.233 -8.021 1.00 0.00 C ATOM 255 C GLN A 15 9.611 5.885 -6.872 1.00 0.00 C ATOM 256 O GLN A 15 10.178 6.655 -6.098 1.00 0.00 O ATOM 257 CB GLN A 15 9.952 5.861 -9.350 1.00 0.00 C ATOM 258 CG GLN A 15 10.863 5.496 -10.512 1.00 0.00 C ATOM 259 CD GLN A 15 10.418 4.237 -11.229 1.00 0.00 C ATOM 260 OE1 GLN A 15 9.353 4.203 -11.846 1.00 0.00 O ATOM 261 NE2 GLN A 15 11.234 3.192 -11.153 1.00 0.00 N ATOM 0 H GLN A 15 9.872 3.425 -8.957 1.00 0.00 H new ATOM 0 HA GLN A 15 11.440 5.404 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.935 5.547 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.933 6.945 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.890 6.323 -11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.879 5.359 -10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.107 3.264 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.987 2.318 -11.617 1.00 0.00 H new ATOM 270 N GLN A 16 8.324 5.571 -6.770 1.00 0.00 N ATOM 271 CA GLN A 16 7.484 6.128 -5.716 1.00 0.00 C ATOM 272 C GLN A 16 8.084 5.856 -4.341 1.00 0.00 C ATOM 273 O GLN A 16 7.943 6.662 -3.420 1.00 0.00 O ATOM 274 CB GLN A 16 6.073 5.541 -5.795 1.00 0.00 C ATOM 275 CG GLN A 16 5.311 5.954 -7.044 1.00 0.00 C ATOM 276 CD GLN A 16 5.119 4.807 -8.017 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.247 3.959 -7.829 1.00 0.00 O ATOM 278 NE2 GLN A 16 5.934 4.776 -9.064 1.00 0.00 N ATOM 0 H GLN A 16 7.840 4.935 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 16 7.430 7.207 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.139 4.453 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.509 5.853 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.336 6.348 -6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.848 6.762 -7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.643 5.500 -9.180 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.851 4.028 -9.753 1.00 0.00 H new ATOM 287 N LEU A 17 8.754 4.717 -4.208 1.00 0.00 N ATOM 288 CA LEU A 17 9.376 4.338 -2.944 1.00 0.00 C ATOM 289 C LEU A 17 10.806 4.862 -2.863 1.00 0.00 C ATOM 290 O LEU A 17 11.430 4.829 -1.802 1.00 0.00 O ATOM 291 CB LEU A 17 9.368 2.817 -2.785 1.00 0.00 C ATOM 292 CG LEU A 17 7.993 2.164 -2.645 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.935 0.866 -3.436 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.668 1.912 -1.180 1.00 0.00 C ATOM 0 H LEU A 17 8.881 4.040 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 17 8.799 4.784 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.870 2.379 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.961 2.560 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 17 7.246 2.846 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.949 0.416 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.122 1.073 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.693 0.178 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.686 1.447 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.419 1.250 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.666 2.859 -0.640 1.00 0.00 H new ATOM 306 N GLU A 18 11.319 5.347 -3.990 1.00 0.00 N ATOM 307 CA GLU A 18 12.675 5.879 -4.045 1.00 0.00 C ATOM 308 C GLU A 18 12.760 7.227 -3.335 1.00 0.00 C ATOM 309 O GLU A 18 13.723 7.505 -2.621 1.00 0.00 O ATOM 310 CB GLU A 18 13.131 6.025 -5.498 1.00 0.00 C ATOM 311 CG GLU A 18 13.456 4.702 -6.170 1.00 0.00 C ATOM 312 CD GLU A 18 14.921 4.331 -6.049 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.324 3.853 -4.967 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.665 4.518 -7.034 1.00 0.00 O ATOM 0 H GLU A 18 10.816 5.382 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 18 13.334 5.177 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.349 6.529 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.012 6.666 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.848 3.914 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.185 4.758 -7.224 1.00 0.00 H new ATOM 321 N ILE A 19 11.745 8.061 -3.538 1.00 0.00 N ATOM 322 CA ILE A 19 11.704 9.379 -2.918 1.00 0.00 C ATOM 323 C ILE A 19 12.115 9.310 -1.452 1.00 0.00 C ATOM 324 O ILE A 19 12.808 10.194 -0.947 1.00 0.00 O ATOM 325 CB ILE A 19 10.300 10.005 -3.018 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.807 9.977 -4.466 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.316 11.429 -2.485 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.613 9.074 -4.681 1.00 0.00 C ATOM 0 H ILE A 19 10.940 7.847 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 19 12.411 10.005 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 19 9.612 9.418 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.546 10.990 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.621 9.649 -5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.317 11.858 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.628 11.423 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.014 12.028 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.318 9.104 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.876 8.052 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.783 9.414 -4.061 1.00 0.00 H new ATOM 340 N LEU A 20 11.685 8.253 -0.772 1.00 0.00 N ATOM 341 CA LEU A 20 12.009 8.066 0.638 1.00 0.00 C ATOM 342 C LEU A 20 13.250 7.194 0.800 1.00 0.00 C ATOM 343 O LEU A 20 14.267 7.639 1.333 1.00 0.00 O ATOM 344 CB LEU A 20 10.827 7.432 1.374 1.00 0.00 C ATOM 345 CG LEU A 20 9.454 7.624 0.729 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.242 9.081 0.348 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.307 6.725 -0.490 1.00 0.00 C ATOM 0 H LEU A 20 11.111 7.512 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 20 12.216 9.045 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.015 6.363 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.792 7.841 2.384 1.00 0.00 H new ATOM 0 HG LEU A 20 8.691 7.345 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.260 9.198 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.303 9.703 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.011 9.387 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.324 6.875 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.078 6.972 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.413 5.683 -0.189 1.00 0.00 H new ATOM 359 N GLU A 21 13.160 5.952 0.336 1.00 0.00 N ATOM 360 CA GLU A 21 14.277 5.019 0.429 1.00 0.00 C ATOM 361 C GLU A 21 15.588 5.701 0.052 1.00 0.00 C ATOM 362 O GLU A 21 16.658 5.330 0.537 1.00 0.00 O ATOM 363 CB GLU A 21 14.038 3.811 -0.480 1.00 0.00 C ATOM 364 CG GLU A 21 14.471 2.491 0.136 1.00 0.00 C ATOM 365 CD GLU A 21 15.937 2.482 0.525 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.792 2.569 -0.380 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.228 2.389 1.736 1.00 0.00 O ATOM 0 H GLU A 21 12.326 5.568 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 21 14.348 4.679 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.978 3.757 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.576 3.959 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.864 2.289 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.282 1.684 -0.572 1.00 0.00 H new ATOM 374 N THR A 22 15.499 6.703 -0.818 1.00 0.00 N ATOM 375 CA THR A 22 16.677 7.436 -1.263 1.00 0.00 C ATOM 376 C THR A 22 16.932 8.653 -0.380 1.00 0.00 C ATOM 377 O THR A 22 18.030 8.829 0.151 1.00 0.00 O ATOM 378 CB THR A 22 16.533 7.898 -2.725 1.00 0.00 C ATOM 379 OG1 THR A 22 16.152 6.793 -3.552 1.00 0.00 O ATOM 380 CG2 THR A 22 17.837 8.493 -3.235 1.00 0.00 C ATOM 0 H THR A 22 14.622 7.025 -1.228 1.00 0.00 H new ATOM 0 HA THR A 22 17.522 6.752 -1.188 1.00 0.00 H new ATOM 0 HB THR A 22 15.761 8.666 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.194 6.618 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.711 8.812 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.110 9.351 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.625 7.742 -3.180 1.00 0.00 H new ATOM 388 N LEU A 23 15.913 9.491 -0.227 1.00 0.00 N ATOM 389 CA LEU A 23 16.026 10.693 0.592 1.00 0.00 C ATOM 390 C LEU A 23 16.076 10.338 2.075 1.00 0.00 C ATOM 391 O LEU A 23 17.083 10.564 2.745 1.00 0.00 O ATOM 392 CB LEU A 23 14.851 11.632 0.320 1.00 0.00 C ATOM 393 CG LEU A 23 14.985 13.053 0.870 1.00 0.00 C ATOM 394 CD1 LEU A 23 14.001 13.987 0.184 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.772 13.064 2.377 1.00 0.00 C ATOM 0 H LEU A 23 14.999 9.360 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 23 16.955 11.198 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.703 11.694 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.950 11.185 0.740 1.00 0.00 H new ATOM 0 HG LEU A 23 15.995 13.408 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.112 14.993 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.201 14.003 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.984 13.636 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.871 14.083 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.775 12.689 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.518 12.428 2.854 1.00 0.00 H new ATOM 407 N PHE A 24 14.982 9.778 2.581 1.00 0.00 N ATOM 408 CA PHE A 24 14.900 9.390 3.984 1.00 0.00 C ATOM 409 C PHE A 24 16.173 8.674 4.425 1.00 0.00 C ATOM 410 O PHE A 24 16.612 8.813 5.566 1.00 0.00 O ATOM 411 CB PHE A 24 13.687 8.487 4.216 1.00 0.00 C ATOM 412 CG PHE A 24 13.610 7.933 5.610 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.732 8.767 6.709 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.417 6.577 5.821 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.662 8.260 7.993 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.345 6.065 7.102 1.00 0.00 C ATOM 417 CZ PHE A 24 13.469 6.907 8.190 1.00 0.00 C ATOM 0 H PHE A 24 14.140 9.583 2.040 1.00 0.00 H new ATOM 0 HA PHE A 24 14.788 10.296 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.778 9.052 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.718 7.660 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.884 9.826 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.322 5.913 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.758 8.921 8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.192 5.007 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.415 6.508 9.192 1.00 0.00 H new ATOM 427 N ASN A 25 16.761 7.908 3.512 1.00 0.00 N ATOM 428 CA ASN A 25 17.983 7.168 3.806 1.00 0.00 C ATOM 429 C ASN A 25 19.206 8.072 3.691 1.00 0.00 C ATOM 430 O ASN A 25 20.106 8.025 4.529 1.00 0.00 O ATOM 431 CB ASN A 25 18.123 5.976 2.857 1.00 0.00 C ATOM 432 CG ASN A 25 19.207 5.011 3.297 1.00 0.00 C ATOM 433 OD1 ASN A 25 19.163 4.473 4.404 1.00 0.00 O ATOM 434 ND2 ASN A 25 20.188 4.789 2.431 1.00 0.00 N ATOM 0 H ASN A 25 16.411 7.783 2.562 1.00 0.00 H new ATOM 0 HA ASN A 25 17.920 6.801 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.171 5.447 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.348 6.338 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.946 4.151 2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.184 5.257 1.525 1.00 0.00 H new ATOM 441 N GLU A 26 19.232 8.894 2.646 1.00 0.00 N ATOM 442 CA GLU A 26 20.345 9.808 2.422 1.00 0.00 C ATOM 443 C GLU A 26 20.620 10.647 3.667 1.00 0.00 C ATOM 444 O GLU A 26 21.765 10.774 4.104 1.00 0.00 O ATOM 445 CB GLU A 26 20.050 10.724 1.232 1.00 0.00 C ATOM 446 CG GLU A 26 21.154 11.730 0.950 1.00 0.00 C ATOM 447 CD GLU A 26 22.538 11.120 1.048 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.728 9.995 0.540 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.432 11.767 1.633 1.00 0.00 O ATOM 0 H GLU A 26 18.495 8.945 1.942 1.00 0.00 H new ATOM 0 HA GLU A 26 21.231 9.213 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.892 10.112 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.120 11.261 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.015 12.147 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.075 12.558 1.655 1.00 0.00 H new ATOM 456 N THR A 27 19.562 11.219 4.234 1.00 0.00 N ATOM 457 CA THR A 27 19.689 12.046 5.427 1.00 0.00 C ATOM 458 C THR A 27 18.328 12.553 5.890 1.00 0.00 C ATOM 459 O THR A 27 17.330 12.412 5.185 1.00 0.00 O ATOM 460 CB THR A 27 20.616 13.251 5.179 1.00 0.00 C ATOM 461 OG1 THR A 27 20.820 13.431 3.773 1.00 0.00 O ATOM 462 CG2 THR A 27 21.956 13.054 5.871 1.00 0.00 C ATOM 0 H THR A 27 18.608 11.124 3.886 1.00 0.00 H new ATOM 0 HA THR A 27 20.124 11.417 6.204 1.00 0.00 H new ATOM 0 HB THR A 27 20.139 14.140 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.409 14.200 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.594 13.917 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.799 12.947 6.944 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.437 12.156 5.484 1.00 0.00 H new ATOM 470 N GLN A 28 18.296 13.145 7.080 1.00 0.00 N ATOM 471 CA GLN A 28 17.056 13.673 7.637 1.00 0.00 C ATOM 472 C GLN A 28 16.959 15.179 7.418 1.00 0.00 C ATOM 473 O GLN A 28 16.612 15.929 8.331 1.00 0.00 O ATOM 474 CB GLN A 28 16.968 13.357 9.131 1.00 0.00 C ATOM 475 CG GLN A 28 15.549 13.114 9.619 1.00 0.00 C ATOM 476 CD GLN A 28 15.495 12.193 10.822 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.966 12.540 11.906 1.00 0.00 O ATOM 478 NE2 GLN A 28 14.918 11.011 10.637 1.00 0.00 N ATOM 0 H GLN A 28 19.114 13.271 7.676 1.00 0.00 H new ATOM 0 HA GLN A 28 16.223 13.195 7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.572 12.475 9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 28 17.401 14.183 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.089 14.068 9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.959 12.683 8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.541 10.765 9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.852 10.349 11.410 1.00 0.00 H new ATOM 487 N TYR A 29 17.268 15.616 6.202 1.00 0.00 N ATOM 488 CA TYR A 29 17.219 17.033 5.863 1.00 0.00 C ATOM 489 C TYR A 29 16.107 17.314 4.857 1.00 0.00 C ATOM 490 O TYR A 29 16.347 17.493 3.662 1.00 0.00 O ATOM 491 CB TYR A 29 18.563 17.491 5.296 1.00 0.00 C ATOM 492 CG TYR A 29 19.744 17.128 6.169 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.686 17.283 7.549 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.917 16.633 5.614 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.762 16.953 8.350 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.997 16.299 6.408 1.00 0.00 C ATOM 497 CZ TYR A 29 21.915 16.461 7.775 1.00 0.00 C ATOM 498 OH TYR A 29 22.990 16.132 8.569 1.00 0.00 O ATOM 0 H TYR A 29 17.555 15.009 5.434 1.00 0.00 H new ATOM 0 HA TYR A 29 17.009 17.591 6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.701 17.048 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.541 18.572 5.160 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.785 17.668 8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.986 16.507 4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.701 17.080 9.421 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.901 15.913 5.960 1.00 0.00 H new ATOM 0 HH TYR A 29 23.721 15.800 8.008 1.00 0.00 H new ATOM 508 N PRO A 30 14.860 17.355 5.349 1.00 0.00 N ATOM 509 CA PRO A 30 13.686 17.615 4.511 1.00 0.00 C ATOM 510 C PRO A 30 13.639 19.054 4.009 1.00 0.00 C ATOM 511 O PRO A 30 12.876 19.874 4.518 1.00 0.00 O ATOM 512 CB PRO A 30 12.511 17.338 5.452 1.00 0.00 C ATOM 513 CG PRO A 30 13.058 17.567 6.819 1.00 0.00 C ATOM 514 CD PRO A 30 14.501 17.150 6.763 1.00 0.00 C ATOM 0 HA PRO A 30 13.683 17.000 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.673 18.003 5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.145 16.318 5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.965 18.614 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.512 16.984 7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.120 17.754 7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.631 16.111 7.064 1.00 0.00 H new ATOM 522 N ASP A 31 14.460 19.353 3.008 1.00 0.00 N ATOM 523 CA ASP A 31 14.511 20.693 2.436 1.00 0.00 C ATOM 524 C ASP A 31 14.337 20.644 0.921 1.00 0.00 C ATOM 525 O ASP A 31 14.289 19.568 0.326 1.00 0.00 O ATOM 526 CB ASP A 31 15.835 21.371 2.788 1.00 0.00 C ATOM 527 CG ASP A 31 15.814 22.003 4.166 1.00 0.00 C ATOM 528 OD1 ASP A 31 15.273 23.121 4.297 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.339 21.381 5.113 1.00 0.00 O ATOM 0 H ASP A 31 15.099 18.685 2.576 1.00 0.00 H new ATOM 0 HA ASP A 31 13.691 21.273 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.639 20.637 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.057 22.136 2.044 1.00 0.00 H new ATOM 534 N VAL A 32 14.242 21.817 0.303 1.00 0.00 N ATOM 535 CA VAL A 32 14.074 21.908 -1.142 1.00 0.00 C ATOM 536 C VAL A 32 15.148 21.111 -1.872 1.00 0.00 C ATOM 537 O VAL A 32 14.875 20.457 -2.879 1.00 0.00 O ATOM 538 CB VAL A 32 14.121 23.371 -1.622 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.771 24.043 -1.423 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.217 24.135 -0.893 1.00 0.00 C ATOM 0 H VAL A 32 14.279 22.717 0.781 1.00 0.00 H new ATOM 0 HA VAL A 32 13.095 21.489 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 32 14.350 23.378 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.824 25.076 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.011 23.509 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.509 24.027 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.237 25.167 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.020 24.120 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.181 23.666 -1.091 1.00 0.00 H new ATOM 550 N PHE A 33 16.372 21.169 -1.358 1.00 0.00 N ATOM 551 CA PHE A 33 17.490 20.452 -1.961 1.00 0.00 C ATOM 552 C PHE A 33 17.209 18.953 -2.014 1.00 0.00 C ATOM 553 O PHE A 33 17.778 18.233 -2.833 1.00 0.00 O ATOM 554 CB PHE A 33 18.776 20.714 -1.174 1.00 0.00 C ATOM 555 CG PHE A 33 19.897 21.248 -2.019 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.749 22.434 -2.720 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.098 20.565 -2.112 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.779 22.927 -3.499 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.132 21.053 -2.889 1.00 0.00 C ATOM 560 CZ PHE A 33 21.972 22.237 -3.582 1.00 0.00 C ATOM 0 H PHE A 33 16.615 21.705 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 33 17.616 20.817 -2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.565 21.424 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.098 19.787 -0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.819 22.979 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.228 19.640 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.651 23.851 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 33 23.063 20.510 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.779 22.622 -4.188 1.00 0.00 H new ATOM 570 N ALA A 34 16.329 18.490 -1.132 1.00 0.00 N ATOM 571 CA ALA A 34 15.971 17.078 -1.079 1.00 0.00 C ATOM 572 C ALA A 34 14.833 16.763 -2.044 1.00 0.00 C ATOM 573 O ALA A 34 15.008 16.002 -2.996 1.00 0.00 O ATOM 574 CB ALA A 34 15.586 16.685 0.340 1.00 0.00 C ATOM 0 H ALA A 34 15.851 19.072 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 34 16.841 16.496 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.321 15.628 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.428 16.864 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.733 17.281 0.664 1.00 0.00 H new ATOM 580 N ARG A 35 13.669 17.352 -1.792 1.00 0.00 N ATOM 581 CA ARG A 35 12.502 17.132 -2.638 1.00 0.00 C ATOM 582 C ARG A 35 12.823 17.443 -4.097 1.00 0.00 C ATOM 583 O ARG A 35 12.479 16.675 -4.995 1.00 0.00 O ATOM 584 CB ARG A 35 11.333 17.997 -2.166 1.00 0.00 C ATOM 585 CG ARG A 35 11.671 19.475 -2.062 1.00 0.00 C ATOM 586 CD ARG A 35 10.536 20.264 -1.429 1.00 0.00 C ATOM 587 NE ARG A 35 10.930 20.868 -0.159 1.00 0.00 N ATOM 588 CZ ARG A 35 10.292 21.890 0.398 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.233 22.421 -0.200 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.711 22.385 1.556 1.00 0.00 N ATOM 0 H ARG A 35 13.509 17.985 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 35 12.221 16.082 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.498 17.872 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.998 17.640 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.577 19.601 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.881 19.872 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.210 21.045 -2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.683 19.605 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 35 11.740 20.483 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.907 22.044 -1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.745 23.206 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.524 21.980 2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.220 23.170 1.983 1.00 0.00 H new ATOM 604 N GLU A 36 13.482 18.575 -4.325 1.00 0.00 N ATOM 605 CA GLU A 36 13.847 18.987 -5.675 1.00 0.00 C ATOM 606 C GLU A 36 14.792 17.976 -6.316 1.00 0.00 C ATOM 607 O GLU A 36 14.846 17.849 -7.540 1.00 0.00 O ATOM 608 CB GLU A 36 14.502 20.370 -5.650 1.00 0.00 C ATOM 609 CG GLU A 36 14.826 20.914 -7.031 1.00 0.00 C ATOM 610 CD GLU A 36 15.025 22.418 -7.034 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.600 23.073 -6.059 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.604 22.939 -8.010 1.00 0.00 O ATOM 0 H GLU A 36 13.774 19.222 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 36 12.936 19.035 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.838 21.068 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.420 20.318 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.729 20.431 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.019 20.657 -7.717 1.00 0.00 H new ATOM 619 N ARG A 37 15.537 17.259 -5.481 1.00 0.00 N ATOM 620 CA ARG A 37 16.482 16.260 -5.965 1.00 0.00 C ATOM 621 C ARG A 37 15.755 14.994 -6.409 1.00 0.00 C ATOM 622 O ARG A 37 15.792 14.623 -7.583 1.00 0.00 O ATOM 623 CB ARG A 37 17.501 15.921 -4.876 1.00 0.00 C ATOM 624 CG ARG A 37 18.529 14.886 -5.304 1.00 0.00 C ATOM 625 CD ARG A 37 18.899 13.960 -4.156 1.00 0.00 C ATOM 626 NE ARG A 37 20.077 13.153 -4.461 1.00 0.00 N ATOM 627 CZ ARG A 37 21.306 13.649 -4.544 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.517 14.943 -4.344 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.328 12.851 -4.826 1.00 0.00 N ATOM 0 H ARG A 37 15.504 17.351 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 37 17.005 16.678 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.018 16.833 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.972 15.553 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.133 14.299 -6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.424 15.390 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.087 14.551 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.058 13.304 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 37 19.949 12.153 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.734 15.560 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.462 15.322 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.170 11.855 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.271 13.234 -4.889 1.00 0.00 H new ATOM 643 N VAL A 38 15.096 14.334 -5.463 1.00 0.00 N ATOM 644 CA VAL A 38 14.360 13.110 -5.756 1.00 0.00 C ATOM 645 C VAL A 38 13.352 13.330 -6.878 1.00 0.00 C ATOM 646 O VAL A 38 12.961 12.389 -7.569 1.00 0.00 O ATOM 647 CB VAL A 38 13.619 12.588 -4.510 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.590 11.910 -3.556 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.881 13.723 -3.815 1.00 0.00 C ATOM 0 H VAL A 38 15.056 14.626 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 38 15.093 12.368 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 38 12.884 11.848 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.048 11.548 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.069 11.070 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.350 12.625 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.363 13.337 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.595 14.487 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.155 14.159 -4.501 1.00 0.00 H new ATOM 659 N ALA A 39 12.934 14.579 -7.054 1.00 0.00 N ATOM 660 CA ALA A 39 11.973 14.924 -8.095 1.00 0.00 C ATOM 661 C ALA A 39 12.477 14.499 -9.470 1.00 0.00 C ATOM 662 O ALA A 39 11.688 14.189 -10.362 1.00 0.00 O ATOM 663 CB ALA A 39 11.686 16.418 -8.074 1.00 0.00 C ATOM 0 H ALA A 39 13.246 15.369 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 39 11.047 14.385 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.967 16.661 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.274 16.696 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.611 16.969 -8.247 1.00 0.00 H new ATOM 669 N ASP A 40 13.795 14.489 -9.635 1.00 0.00 N ATOM 670 CA ASP A 40 14.405 14.102 -10.902 1.00 0.00 C ATOM 671 C ASP A 40 14.566 12.588 -10.987 1.00 0.00 C ATOM 672 O ASP A 40 14.782 12.038 -12.067 1.00 0.00 O ATOM 673 CB ASP A 40 15.764 14.783 -11.067 1.00 0.00 C ATOM 674 CG ASP A 40 16.193 14.875 -12.519 1.00 0.00 C ATOM 675 OD1 ASP A 40 16.772 13.895 -13.030 1.00 0.00 O ATOM 676 OD2 ASP A 40 15.949 15.929 -13.143 1.00 0.00 O ATOM 0 H ASP A 40 14.462 14.745 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 40 13.746 14.425 -11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.719 15.785 -10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.515 14.230 -10.504 1.00 0.00 H new ATOM 681 N GLN A 41 14.460 11.921 -9.843 1.00 0.00 N ATOM 682 CA GLN A 41 14.596 10.470 -9.789 1.00 0.00 C ATOM 683 C GLN A 41 13.322 9.786 -10.270 1.00 0.00 C ATOM 684 O GLN A 41 13.363 8.923 -11.148 1.00 0.00 O ATOM 685 CB GLN A 41 14.924 10.020 -8.364 1.00 0.00 C ATOM 686 CG GLN A 41 16.303 10.452 -7.891 1.00 0.00 C ATOM 687 CD GLN A 41 17.390 9.474 -8.292 1.00 0.00 C ATOM 688 OE1 GLN A 41 18.048 9.646 -9.318 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.583 8.439 -7.483 1.00 0.00 N ATOM 0 H GLN A 41 14.280 12.362 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 41 15.413 10.182 -10.450 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.173 10.422 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.854 8.934 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.533 11.434 -8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.295 10.556 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.014 8.336 -6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.300 7.747 -7.702 1.00 0.00 H new ATOM 698 N ILE A 42 12.191 10.176 -9.691 1.00 0.00 N ATOM 699 CA ILE A 42 10.905 9.600 -10.062 1.00 0.00 C ATOM 700 C ILE A 42 10.254 10.391 -11.192 1.00 0.00 C ATOM 701 O ILE A 42 9.226 9.985 -11.736 1.00 0.00 O ATOM 702 CB ILE A 42 9.941 9.553 -8.862 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.333 10.935 -8.614 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.667 9.058 -7.619 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.255 10.939 -7.553 1.00 0.00 C ATOM 0 H ILE A 42 12.140 10.889 -8.963 1.00 0.00 H new ATOM 0 HA ILE A 42 11.101 8.582 -10.400 1.00 0.00 H new ATOM 0 HB ILE A 42 9.134 8.857 -9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.125 11.624 -8.319 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.914 11.312 -9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.973 9.030 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.058 8.057 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.491 9.732 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.869 11.951 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.444 10.276 -7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.673 10.593 -6.608 1.00 0.00 H new ATOM 717 N ARG A 43 10.859 11.521 -11.541 1.00 0.00 N ATOM 718 CA ARG A 43 10.339 12.369 -12.607 1.00 0.00 C ATOM 719 C ARG A 43 9.040 13.045 -12.178 1.00 0.00 C ATOM 720 O ARG A 43 8.006 12.897 -12.831 1.00 0.00 O ATOM 721 CB ARG A 43 10.104 11.545 -13.874 1.00 0.00 C ATOM 722 CG ARG A 43 10.387 12.308 -15.158 1.00 0.00 C ATOM 723 CD ARG A 43 9.493 13.531 -15.287 1.00 0.00 C ATOM 724 NE ARG A 43 8.104 13.169 -15.555 1.00 0.00 N ATOM 725 CZ ARG A 43 7.090 14.021 -15.456 1.00 0.00 C ATOM 726 NH1 ARG A 43 7.309 15.279 -15.098 1.00 0.00 N ATOM 727 NH2 ARG A 43 5.853 13.616 -15.715 1.00 0.00 N ATOM 0 H ARG A 43 11.710 11.871 -11.101 1.00 0.00 H new ATOM 0 HA ARG A 43 11.079 13.142 -12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.736 10.657 -13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.070 11.200 -13.887 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.432 12.616 -15.177 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.233 11.651 -16.014 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.544 14.116 -14.369 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.863 14.167 -16.091 1.00 0.00 H new ATOM 0 HE ARG A 43 7.901 12.209 -15.834 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.258 15.594 -14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.528 15.931 -15.023 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.680 12.649 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.075 14.271 -15.639 1.00 0.00 H new ATOM 741 N LEU A 44 9.100 13.787 -11.078 1.00 0.00 N ATOM 742 CA LEU A 44 7.929 14.486 -10.561 1.00 0.00 C ATOM 743 C LEU A 44 8.298 15.886 -10.080 1.00 0.00 C ATOM 744 O LEU A 44 9.474 16.199 -9.899 1.00 0.00 O ATOM 745 CB LEU A 44 7.300 13.690 -9.416 1.00 0.00 C ATOM 746 CG LEU A 44 5.912 14.147 -8.965 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.939 14.136 -10.134 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.401 13.265 -7.835 1.00 0.00 C ATOM 0 H LEU A 44 9.948 13.920 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 44 7.206 14.580 -11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.236 12.645 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.971 13.733 -8.558 1.00 0.00 H new ATOM 0 HG LEU A 44 5.990 15.169 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.957 14.464 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.297 14.810 -10.912 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.865 13.126 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.412 13.605 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.339 12.233 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.085 13.325 -6.989 1.00 0.00 H new ATOM 760 N GLN A 45 7.285 16.721 -9.874 1.00 0.00 N ATOM 761 CA GLN A 45 7.504 18.087 -9.413 1.00 0.00 C ATOM 762 C GLN A 45 8.301 18.101 -8.112 1.00 0.00 C ATOM 763 O GLN A 45 8.253 17.149 -7.334 1.00 0.00 O ATOM 764 CB GLN A 45 6.166 18.801 -9.213 1.00 0.00 C ATOM 765 CG GLN A 45 5.912 19.911 -10.220 1.00 0.00 C ATOM 766 CD GLN A 45 7.008 20.958 -10.223 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.256 21.617 -9.213 1.00 0.00 O ATOM 768 NE2 GLN A 45 7.672 21.118 -11.362 1.00 0.00 N ATOM 0 H GLN A 45 6.305 16.476 -10.019 1.00 0.00 H new ATOM 0 HA GLN A 45 8.078 18.614 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.360 18.070 -9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.134 19.220 -8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.825 19.479 -11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.959 20.389 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.434 20.550 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.420 21.808 -11.423 1.00 0.00 H new ATOM 777 N GLU A 46 9.033 19.187 -7.884 1.00 0.00 N ATOM 778 CA GLU A 46 9.841 19.323 -6.678 1.00 0.00 C ATOM 779 C GLU A 46 8.957 19.527 -5.451 1.00 0.00 C ATOM 780 O GLU A 46 9.182 18.922 -4.403 1.00 0.00 O ATOM 781 CB GLU A 46 10.814 20.495 -6.819 1.00 0.00 C ATOM 782 CG GLU A 46 10.134 21.817 -7.135 1.00 0.00 C ATOM 783 CD GLU A 46 10.961 22.693 -8.056 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.203 22.279 -9.209 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.366 23.792 -7.623 1.00 0.00 O ATOM 0 H GLU A 46 9.083 19.985 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 46 10.409 18.402 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.380 20.600 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.531 20.268 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.166 21.622 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.941 22.353 -6.206 1.00 0.00 H new ATOM 792 N SER A 47 7.950 20.383 -5.590 1.00 0.00 N ATOM 793 CA SER A 47 7.034 20.671 -4.493 1.00 0.00 C ATOM 794 C SER A 47 5.961 19.592 -4.384 1.00 0.00 C ATOM 795 O SER A 47 5.344 19.418 -3.332 1.00 0.00 O ATOM 796 CB SER A 47 6.379 22.039 -4.692 1.00 0.00 C ATOM 797 OG SER A 47 5.749 22.481 -3.502 1.00 0.00 O ATOM 0 H SER A 47 7.748 20.889 -6.452 1.00 0.00 H new ATOM 0 HA SER A 47 7.609 20.683 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.132 22.765 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.645 21.981 -5.496 1.00 0.00 H new ATOM 0 HG SER A 47 5.339 23.358 -3.655 1.00 0.00 H new ATOM 803 N ARG A 48 5.744 18.869 -5.478 1.00 0.00 N ATOM 804 CA ARG A 48 4.745 17.808 -5.507 1.00 0.00 C ATOM 805 C ARG A 48 5.275 16.543 -4.837 1.00 0.00 C ATOM 806 O ARG A 48 4.585 15.921 -4.030 1.00 0.00 O ATOM 807 CB ARG A 48 4.337 17.501 -6.949 1.00 0.00 C ATOM 808 CG ARG A 48 3.231 16.465 -7.063 1.00 0.00 C ATOM 809 CD ARG A 48 1.875 17.057 -6.715 1.00 0.00 C ATOM 810 NE ARG A 48 1.502 18.140 -7.620 1.00 0.00 N ATOM 811 CZ ARG A 48 1.006 17.944 -8.837 1.00 0.00 C ATOM 812 NH1 ARG A 48 0.823 16.711 -9.290 1.00 0.00 N ATOM 813 NH2 ARG A 48 0.691 18.981 -9.602 1.00 0.00 N ATOM 0 H ARG A 48 6.247 18.999 -6.356 1.00 0.00 H new ATOM 0 HA ARG A 48 3.871 18.152 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.010 18.423 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.211 17.149 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.206 16.068 -8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.445 15.628 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.117 16.275 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.895 17.431 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 48 1.629 19.100 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.063 15.911 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.442 16.562 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.829 19.931 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.310 18.829 -10.536 1.00 0.00 H new ATOM 827 N ILE A 49 6.504 16.171 -5.179 1.00 0.00 N ATOM 828 CA ILE A 49 7.127 14.981 -4.610 1.00 0.00 C ATOM 829 C ILE A 49 7.073 15.008 -3.086 1.00 0.00 C ATOM 830 O ILE A 49 7.128 13.965 -2.436 1.00 0.00 O ATOM 831 CB ILE A 49 8.594 14.845 -5.058 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.961 13.370 -5.236 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.519 15.509 -4.050 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.351 13.156 -5.790 1.00 0.00 C ATOM 0 H ILE A 49 7.088 16.675 -5.846 1.00 0.00 H new ATOM 0 HA ILE A 49 6.563 14.123 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 49 8.714 15.348 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.881 12.865 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.237 12.902 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.552 15.404 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.269 16.567 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.399 15.032 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.543 12.088 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.430 13.631 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.084 13.594 -5.113 1.00 0.00 H new ATOM 846 N GLN A 50 6.962 16.207 -2.524 1.00 0.00 N ATOM 847 CA GLN A 50 6.899 16.369 -1.076 1.00 0.00 C ATOM 848 C GLN A 50 5.745 15.564 -0.488 1.00 0.00 C ATOM 849 O GLN A 50 5.887 14.927 0.556 1.00 0.00 O ATOM 850 CB GLN A 50 6.743 17.847 -0.714 1.00 0.00 C ATOM 851 CG GLN A 50 7.792 18.346 0.267 1.00 0.00 C ATOM 852 CD GLN A 50 7.607 19.808 0.624 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.053 20.584 -0.154 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.071 20.192 1.808 1.00 0.00 N ATOM 0 H GLN A 50 6.914 17.080 -3.049 1.00 0.00 H new ATOM 0 HA GLN A 50 7.831 15.995 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.796 18.443 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.753 18.006 -0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.749 17.746 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.783 18.203 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.524 19.515 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.974 21.164 2.103 1.00 0.00 H new ATOM 863 N VAL A 51 4.602 15.597 -1.165 1.00 0.00 N ATOM 864 CA VAL A 51 3.423 14.870 -0.710 1.00 0.00 C ATOM 865 C VAL A 51 3.665 13.365 -0.728 1.00 0.00 C ATOM 866 O VAL A 51 3.129 12.630 0.102 1.00 0.00 O ATOM 867 CB VAL A 51 2.194 15.191 -1.582 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.076 16.691 -1.805 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.274 14.451 -2.908 1.00 0.00 C ATOM 0 H VAL A 51 4.467 16.119 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 51 3.228 15.192 0.313 1.00 0.00 H new ATOM 0 HB VAL A 51 1.300 14.854 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.203 16.899 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.969 17.194 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.972 17.056 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.398 14.689 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.175 14.755 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.307 13.377 -2.724 1.00 0.00 H new ATOM 879 N TRP A 52 4.475 12.913 -1.678 1.00 0.00 N ATOM 880 CA TRP A 52 4.789 11.494 -1.803 1.00 0.00 C ATOM 881 C TRP A 52 5.935 11.105 -0.875 1.00 0.00 C ATOM 882 O TRP A 52 6.126 9.928 -0.569 1.00 0.00 O ATOM 883 CB TRP A 52 5.151 11.157 -3.250 1.00 0.00 C ATOM 884 CG TRP A 52 3.994 10.634 -4.047 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.502 9.360 -4.038 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.186 11.372 -4.969 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.436 9.262 -4.900 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.222 10.483 -5.483 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.181 12.698 -5.410 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.266 10.878 -6.415 1.00 0.00 C ATOM 891 CZ3 TRP A 52 2.232 13.089 -6.336 1.00 0.00 C ATOM 892 CH2 TRP A 52 1.285 12.182 -6.829 1.00 0.00 C ATOM 0 H TRP A 52 4.926 13.508 -2.373 1.00 0.00 H new ATOM 0 HA TRP A 52 3.905 10.925 -1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.543 12.050 -3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.950 10.415 -3.254 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.893 8.549 -3.441 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.892 8.417 -5.077 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.906 13.405 -5.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.536 10.180 -6.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.220 14.111 -6.685 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.555 12.519 -7.550 1.00 0.00 H new ATOM 903 N PHE A 53 6.694 12.101 -0.431 1.00 0.00 N ATOM 904 CA PHE A 53 7.822 11.862 0.462 1.00 0.00 C ATOM 905 C PHE A 53 7.367 11.161 1.738 1.00 0.00 C ATOM 906 O PHE A 53 8.170 10.558 2.450 1.00 0.00 O ATOM 907 CB PHE A 53 8.512 13.183 0.811 1.00 0.00 C ATOM 908 CG PHE A 53 9.657 13.026 1.770 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.681 12.130 1.506 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.710 13.774 2.935 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.736 11.984 2.387 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.763 13.631 3.820 1.00 0.00 C ATOM 913 CZ PHE A 53 11.777 12.736 3.545 1.00 0.00 C ATOM 0 H PHE A 53 6.549 13.081 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 53 8.531 11.214 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.877 13.646 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.778 13.864 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.654 11.540 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.920 14.477 3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.528 11.282 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.792 14.219 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.601 12.624 4.234 1.00 0.00 H new ATOM 923 N LYS A 54 6.071 11.244 2.022 1.00 0.00 N ATOM 924 CA LYS A 54 5.506 10.618 3.211 1.00 0.00 C ATOM 925 C LYS A 54 5.100 9.176 2.925 1.00 0.00 C ATOM 926 O LYS A 54 4.891 8.386 3.845 1.00 0.00 O ATOM 927 CB LYS A 54 4.294 11.412 3.704 1.00 0.00 C ATOM 928 CG LYS A 54 4.239 11.563 5.214 1.00 0.00 C ATOM 929 CD LYS A 54 2.833 11.340 5.746 1.00 0.00 C ATOM 930 CE LYS A 54 2.761 11.573 7.247 1.00 0.00 C ATOM 931 NZ LYS A 54 2.001 10.496 7.940 1.00 0.00 N ATOM 0 H LYS A 54 5.392 11.739 1.444 1.00 0.00 H new ATOM 0 HA LYS A 54 6.271 10.615 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.309 12.402 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.384 10.918 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.921 10.850 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.581 12.559 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.140 12.012 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.514 10.323 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.770 11.625 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.288 12.535 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.526 10.890 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.290 10.101 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.656 9.744 8.235 1.00 0.00 H new ATOM 945 N ASN A 55 4.991 8.839 1.644 1.00 0.00 N ATOM 946 CA ASN A 55 4.610 7.491 1.238 1.00 0.00 C ATOM 947 C ASN A 55 5.274 6.446 2.130 1.00 0.00 C ATOM 948 O ASN A 55 4.611 5.789 2.932 1.00 0.00 O ATOM 949 CB ASN A 55 4.994 7.249 -0.223 1.00 0.00 C ATOM 950 CG ASN A 55 4.962 5.779 -0.593 1.00 0.00 C ATOM 951 OD1 ASN A 55 5.883 5.267 -1.229 1.00 0.00 O ATOM 952 ND2 ASN A 55 3.896 5.092 -0.196 1.00 0.00 N ATOM 0 H ASN A 55 5.161 9.481 0.869 1.00 0.00 H new ATOM 0 HA ASN A 55 3.529 7.398 1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.312 7.799 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.993 7.645 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.818 4.099 -0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.156 5.557 0.329 1.00 0.00 H new ATOM 959 N ARG A 56 6.587 6.300 1.984 1.00 0.00 N ATOM 960 CA ARG A 56 7.341 5.335 2.775 1.00 0.00 C ATOM 961 C ARG A 56 7.763 5.939 4.112 1.00 0.00 C ATOM 962 O ARG A 56 7.719 5.274 5.146 1.00 0.00 O ATOM 963 CB ARG A 56 8.575 4.864 2.004 1.00 0.00 C ATOM 964 CG ARG A 56 9.017 3.455 2.365 1.00 0.00 C ATOM 965 CD ARG A 56 10.444 3.436 2.888 1.00 0.00 C ATOM 966 NE ARG A 56 10.588 4.215 4.115 1.00 0.00 N ATOM 967 CZ ARG A 56 10.296 3.744 5.323 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.848 2.505 5.464 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.453 4.514 6.392 1.00 0.00 N ATOM 0 H ARG A 56 7.150 6.838 1.325 1.00 0.00 H new ATOM 0 HA ARG A 56 6.695 4.479 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.364 4.907 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.397 5.554 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.346 3.044 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.941 2.813 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.748 2.406 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.115 3.833 2.126 1.00 0.00 H new ATOM 0 HE ARG A 56 10.931 5.173 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.727 1.910 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.625 2.146 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.798 5.468 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.229 4.152 7.319 1.00 0.00 H new ATOM 983 N ARG A 57 8.172 7.204 4.080 1.00 0.00 N ATOM 984 CA ARG A 57 8.603 7.897 5.288 1.00 0.00 C ATOM 985 C ARG A 57 7.580 7.726 6.408 1.00 0.00 C ATOM 986 O ARG A 57 7.932 7.714 7.587 1.00 0.00 O ATOM 987 CB ARG A 57 8.816 9.384 5.000 1.00 0.00 C ATOM 988 CG ARG A 57 9.121 10.208 6.240 1.00 0.00 C ATOM 989 CD ARG A 57 10.408 9.750 6.910 1.00 0.00 C ATOM 990 NE ARG A 57 10.702 10.521 8.115 1.00 0.00 N ATOM 991 CZ ARG A 57 11.251 11.731 8.098 1.00 0.00 C ATOM 992 NH1 ARG A 57 11.564 12.304 6.944 1.00 0.00 N ATOM 993 NH2 ARG A 57 11.488 12.369 9.236 1.00 0.00 N ATOM 0 H ARG A 57 8.214 7.769 3.232 1.00 0.00 H new ATOM 0 HA ARG A 57 9.547 7.458 5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.636 9.494 4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.923 9.784 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.206 11.260 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.294 10.127 6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.327 8.694 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.236 9.845 6.208 1.00 0.00 H new ATOM 0 HE ARG A 57 10.473 10.108 9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.383 11.816 6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.985 13.233 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.249 11.931 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.909 13.298 9.222 1.00 0.00 H new ATOM 1007 N ALA A 58 6.313 7.596 6.030 1.00 0.00 N ATOM 1008 CA ALA A 58 5.240 7.425 7.001 1.00 0.00 C ATOM 1009 C ALA A 58 5.024 5.951 7.327 1.00 0.00 C ATOM 1010 O ALA A 58 4.654 5.600 8.448 1.00 0.00 O ATOM 1011 CB ALA A 58 3.952 8.047 6.480 1.00 0.00 C ATOM 0 H ALA A 58 6.004 7.606 5.058 1.00 0.00 H new ATOM 0 HA ALA A 58 5.531 7.934 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.159 7.912 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.107 9.112 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.666 7.564 5.546 1.00 0.00 H new ATOM 1017 N LYS A 59 5.256 5.092 6.340 1.00 0.00 N ATOM 1018 CA LYS A 59 5.087 3.655 6.521 1.00 0.00 C ATOM 1019 C LYS A 59 5.945 3.148 7.676 1.00 0.00 C ATOM 1020 O LYS A 59 5.673 2.091 8.247 1.00 0.00 O ATOM 1021 CB LYS A 59 5.454 2.912 5.235 1.00 0.00 C ATOM 1022 CG LYS A 59 4.255 2.336 4.502 1.00 0.00 C ATOM 1023 CD LYS A 59 3.320 3.430 4.017 1.00 0.00 C ATOM 1024 CE LYS A 59 1.863 3.009 4.131 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.509 1.958 3.137 1.00 0.00 N ATOM 0 H LYS A 59 5.562 5.366 5.406 1.00 0.00 H new ATOM 0 HA LYS A 59 4.040 3.464 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.983 3.594 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.144 2.104 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.596 1.745 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.713 1.660 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.485 4.336 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.550 3.673 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.670 2.637 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.222 3.878 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.508 1.699 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.668 2.322 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.103 1.119 3.293 1.00 0.00 H new ATOM 1039 N TYR A 60 6.980 3.908 8.017 1.00 0.00 N ATOM 1040 CA TYR A 60 7.878 3.535 9.103 1.00 0.00 C ATOM 1041 C TYR A 60 7.093 3.200 10.368 1.00 0.00 C ATOM 1042 O TYR A 60 7.526 2.385 11.183 1.00 0.00 O ATOM 1043 CB TYR A 60 8.865 4.668 9.389 1.00 0.00 C ATOM 1044 CG TYR A 60 8.358 5.674 10.396 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.281 6.501 10.099 1.00 0.00 C ATOM 1046 CD2 TYR A 60 8.956 5.800 11.644 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.814 7.423 11.016 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.495 6.718 12.568 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.424 7.527 12.249 1.00 0.00 C ATOM 1050 OH TYR A 60 6.963 8.444 13.166 1.00 0.00 O ATOM 0 H TYR A 60 7.218 4.787 7.557 1.00 0.00 H new ATOM 0 HA TYR A 60 8.432 2.648 8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.799 4.241 9.754 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.093 5.184 8.456 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.801 6.422 9.135 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.796 5.169 11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.976 8.058 10.769 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.970 6.802 13.534 1.00 0.00 H new ATOM 0 HH TYR A 60 7.501 8.388 13.983 1.00 0.00 H new ATOM 1060 N ARG A 61 5.935 3.833 10.523 1.00 0.00 N ATOM 1061 CA ARG A 61 5.088 3.603 11.687 1.00 0.00 C ATOM 1062 C ARG A 61 4.309 2.299 11.544 1.00 0.00 C ATOM 1063 O ARG A 61 4.066 1.597 12.527 1.00 0.00 O ATOM 1064 CB ARG A 61 4.118 4.771 11.878 1.00 0.00 C ATOM 1065 CG ARG A 61 3.005 4.813 10.844 1.00 0.00 C ATOM 1066 CD ARG A 61 2.536 6.236 10.586 1.00 0.00 C ATOM 1067 NE ARG A 61 2.077 6.891 11.808 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.407 8.038 11.820 1.00 0.00 C ATOM 1069 NH1 ARG A 61 1.121 8.654 10.682 1.00 0.00 N ATOM 1070 NH2 ARG A 61 1.023 8.571 12.973 1.00 0.00 N ATOM 0 H ARG A 61 5.562 4.509 9.857 1.00 0.00 H new ATOM 0 HA ARG A 61 5.732 3.527 12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.676 4.707 12.872 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.676 5.706 11.837 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.356 4.370 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.165 4.209 11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.351 6.813 10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.727 6.224 9.855 1.00 0.00 H new ATOM 0 HE ARG A 61 2.282 6.443 12.701 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.415 8.247 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.606 9.535 10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.242 8.100 13.851 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.509 9.452 12.981 1.00 0.00 H new ATOM 1084 N LEU A 62 3.919 1.981 10.315 1.00 0.00 N ATOM 1085 CA LEU A 62 3.166 0.761 10.042 1.00 0.00 C ATOM 1086 C LEU A 62 4.063 -0.468 10.152 1.00 0.00 C ATOM 1087 O LEU A 62 3.756 -1.407 10.885 1.00 0.00 O ATOM 1088 CB LEU A 62 2.539 0.826 8.648 1.00 0.00 C ATOM 1089 CG LEU A 62 1.231 0.057 8.465 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.441 -1.426 8.728 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.151 0.615 9.380 1.00 0.00 C ATOM 0 H LEU A 62 4.111 2.551 9.491 1.00 0.00 H new ATOM 0 HA LEU A 62 2.374 0.678 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.360 1.872 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.264 0.447 7.927 1.00 0.00 H new ATOM 0 HG LEU A 62 0.903 0.179 7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.498 -1.957 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.181 -1.818 8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.794 -1.568 9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.773 0.055 9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.471 0.525 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.020 1.665 9.143 1.00 0.00 H new