USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.48) USER MOD Single : A 19 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.5) USER MOD Single : A 28 SER OG : rot 130:sc= -0.0173 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.16) USER MOD Single : A 38 THR OG1 : rot -120:sc= -1.05 USER MOD Single : A 41 SER OG : rot 180:sc= -0.411 USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= -0.432 (180deg=-1.66!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 145:sc= -0.393 (180deg=-1.88!) USER MOD Single : A 47 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.627 USER MOD Single : A 51 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.2) USER MOD Single : A 68 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.29) USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.874 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -176:sc= 0 (180deg=-0.0336) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.912 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 2.518 18.626 -7.955 1.00 0.00 N ATOM 217 CA ASN A 15 1.496 17.824 -7.293 1.00 0.00 C ATOM 218 C ASN A 15 1.963 17.382 -5.909 1.00 0.00 C ATOM 219 O ASN A 15 3.131 17.545 -5.555 1.00 0.00 O ATOM 220 CB ASN A 15 1.150 16.599 -8.141 1.00 0.00 C ATOM 221 CG ASN A 15 0.165 16.923 -9.249 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.552 17.119 -10.401 1.00 0.00 O ATOM 223 ND2 ASN A 15 -1.116 16.980 -8.903 1.00 0.00 N ATOM 0 HA ASN A 15 0.605 18.441 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.063 16.193 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.730 15.824 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.825 17.193 -9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.391 16.810 -7.936 1.00 0.00 H new ATOM 230 N ASP A 16 1.043 16.822 -5.131 1.00 0.00 N ATOM 231 CA ASP A 16 1.361 16.355 -3.787 1.00 0.00 C ATOM 232 C ASP A 16 2.070 15.005 -3.834 1.00 0.00 C ATOM 233 O ASP A 16 2.076 14.331 -4.864 1.00 0.00 O ATOM 234 CB ASP A 16 0.087 16.247 -2.947 1.00 0.00 C ATOM 235 CG ASP A 16 -0.528 17.601 -2.651 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.076 18.260 -1.692 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.462 18.000 -3.378 1.00 0.00 O ATOM 0 H ASP A 16 0.072 16.681 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 16 2.031 17.081 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.640 15.628 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.316 15.742 -2.008 1.00 0.00 H new ATOM 242 N HIS A 17 2.668 14.617 -2.712 1.00 0.00 N ATOM 243 CA HIS A 17 3.380 13.347 -2.625 1.00 0.00 C ATOM 244 C HIS A 17 3.546 12.915 -1.171 1.00 0.00 C ATOM 245 O HIS A 17 4.340 13.493 -0.429 1.00 0.00 O ATOM 246 CB HIS A 17 4.750 13.461 -3.295 1.00 0.00 C ATOM 247 CG HIS A 17 5.550 14.637 -2.826 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.398 15.905 -3.344 1.00 0.00 N ATOM 249 CD2 HIS A 17 6.514 14.732 -1.880 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.234 16.730 -2.739 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.922 16.043 -1.845 1.00 0.00 N ATOM 0 H HIS A 17 2.674 15.164 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 17 2.791 12.591 -3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.315 12.549 -3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.613 13.532 -4.374 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.892 13.927 -1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.337 17.786 -2.941 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.640 16.424 -1.229 1.00 0.00 H new ATOM 259 N ILE A 18 2.791 11.897 -0.772 1.00 0.00 N ATOM 260 CA ILE A 18 2.854 11.388 0.592 1.00 0.00 C ATOM 261 C ILE A 18 3.633 10.079 0.655 1.00 0.00 C ATOM 262 O ILE A 18 4.239 9.658 -0.329 1.00 0.00 O ATOM 263 CB ILE A 18 1.447 11.165 1.176 1.00 0.00 C ATOM 264 CG1 ILE A 18 0.793 9.940 0.533 1.00 0.00 C ATOM 265 CG2 ILE A 18 0.585 12.401 0.970 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.621 9.690 1.009 1.00 0.00 C ATOM 0 H ILE A 18 2.128 11.408 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 18 3.369 12.143 1.187 1.00 0.00 H new ATOM 0 HB ILE A 18 1.539 10.985 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.786 10.068 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.400 9.060 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.406 12.227 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.045 13.253 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.497 12.610 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.022 8.807 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.619 9.530 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.243 10.553 0.772 1.00 0.00 H new ATOM 278 N ASN A 19 3.609 9.438 1.819 1.00 0.00 N ATOM 279 CA ASN A 19 4.312 8.174 2.010 1.00 0.00 C ATOM 280 C ASN A 19 3.377 7.113 2.582 1.00 0.00 C ATOM 281 O ASN A 19 2.469 7.421 3.356 1.00 0.00 O ATOM 282 CB ASN A 19 5.511 8.369 2.941 1.00 0.00 C ATOM 283 CG ASN A 19 6.642 7.406 2.635 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.592 7.750 1.932 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.544 6.192 3.164 1.00 0.00 N ATOM 0 H ASN A 19 3.111 9.773 2.644 1.00 0.00 H new ATOM 0 HA ASN A 19 4.667 7.834 1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.875 9.393 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.191 8.233 3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.275 5.501 2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.738 5.951 3.741 1.00 0.00 H new ATOM 292 N LEU A 20 3.605 5.862 2.197 1.00 0.00 N ATOM 293 CA LEU A 20 2.783 4.754 2.672 1.00 0.00 C ATOM 294 C LEU A 20 3.630 3.505 2.894 1.00 0.00 C ATOM 295 O LEU A 20 4.648 3.305 2.230 1.00 0.00 O ATOM 296 CB LEU A 20 1.667 4.455 1.670 1.00 0.00 C ATOM 297 CG LEU A 20 0.743 5.624 1.326 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.190 5.249 0.185 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.054 6.052 2.549 1.00 0.00 C ATOM 0 H LEU A 20 4.352 5.590 1.558 1.00 0.00 H new ATOM 0 HA LEU A 20 2.340 5.045 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.121 4.094 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.059 3.642 2.066 1.00 0.00 H new ATOM 0 HG LEU A 20 1.358 6.465 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.840 6.093 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.398 4.992 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.798 4.393 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.706 6.885 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.658 5.216 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.630 6.363 3.339 1.00 0.00 H new ATOM 311 N LYS A 21 3.202 2.665 3.831 1.00 0.00 N ATOM 312 CA LYS A 21 3.918 1.433 4.140 1.00 0.00 C ATOM 313 C LYS A 21 2.948 0.268 4.308 1.00 0.00 C ATOM 314 O LYS A 21 2.188 0.215 5.275 1.00 0.00 O ATOM 315 CB LYS A 21 4.749 1.607 5.413 1.00 0.00 C ATOM 316 CG LYS A 21 5.473 2.940 5.490 1.00 0.00 C ATOM 317 CD LYS A 21 6.714 2.851 6.361 1.00 0.00 C ATOM 318 CE LYS A 21 6.388 3.109 7.824 1.00 0.00 C ATOM 319 NZ LYS A 21 7.577 3.590 8.581 1.00 0.00 N ATOM 0 H LYS A 21 2.362 2.815 4.390 1.00 0.00 H new ATOM 0 HA LYS A 21 4.584 1.211 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.096 1.508 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.481 0.802 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.754 3.261 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.800 3.698 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.163 1.864 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.453 3.576 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.590 3.848 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.014 2.192 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.313 3.754 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.330 2.874 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.919 4.478 8.162 1.00 0.00 H new ATOM 333 N VAL A 22 2.981 -0.665 3.362 1.00 0.00 N ATOM 334 CA VAL A 22 2.107 -1.831 3.407 1.00 0.00 C ATOM 335 C VAL A 22 2.763 -2.981 4.163 1.00 0.00 C ATOM 336 O VAL A 22 3.472 -3.798 3.577 1.00 0.00 O ATOM 337 CB VAL A 22 1.735 -2.308 1.991 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.676 -3.398 2.056 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.257 -1.139 1.143 1.00 0.00 C ATOM 0 H VAL A 22 3.604 -0.636 2.555 1.00 0.00 H new ATOM 0 HA VAL A 22 1.200 -1.527 3.930 1.00 0.00 H new ATOM 0 HB VAL A 22 2.625 -2.727 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.426 -3.723 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.060 -4.245 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.218 -3.009 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.998 -1.495 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.379 -0.688 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.050 -0.395 1.069 1.00 0.00 H new ATOM 349 N ALA A 23 2.521 -3.037 5.469 1.00 0.00 N ATOM 350 CA ALA A 23 3.086 -4.088 6.306 1.00 0.00 C ATOM 351 C ALA A 23 1.990 -4.972 6.892 1.00 0.00 C ATOM 352 O ALA A 23 1.193 -4.526 7.716 1.00 0.00 O ATOM 353 CB ALA A 23 3.929 -3.482 7.418 1.00 0.00 C ATOM 0 H ALA A 23 1.938 -2.367 5.970 1.00 0.00 H new ATOM 0 HA ALA A 23 3.724 -4.712 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.344 -4.279 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.741 -2.899 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.306 -2.833 8.034 1.00 0.00 H new ATOM 359 N GLY A 24 1.955 -6.229 6.459 1.00 0.00 N ATOM 360 CA GLY A 24 0.952 -7.155 6.951 1.00 0.00 C ATOM 361 C GLY A 24 1.374 -7.837 8.238 1.00 0.00 C ATOM 362 O GLY A 24 2.539 -8.198 8.402 1.00 0.00 O ATOM 0 H GLY A 24 2.603 -6.622 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.017 -6.619 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.755 -7.911 6.190 1.00 0.00 H new ATOM 366 N GLN A 25 0.425 -8.013 9.151 1.00 0.00 N ATOM 367 CA GLN A 25 0.706 -8.654 10.430 1.00 0.00 C ATOM 368 C GLN A 25 1.232 -10.070 10.225 1.00 0.00 C ATOM 369 O GLN A 25 1.857 -10.646 11.117 1.00 0.00 O ATOM 370 CB GLN A 25 -0.555 -8.686 11.296 1.00 0.00 C ATOM 371 CG GLN A 25 -0.409 -9.531 12.552 1.00 0.00 C ATOM 372 CD GLN A 25 -0.717 -10.995 12.310 1.00 0.00 C ATOM 373 OE1 GLN A 25 0.084 -11.872 12.634 1.00 0.00 O ATOM 374 NE2 GLN A 25 -1.883 -11.268 11.737 1.00 0.00 N ATOM 0 H GLN A 25 -0.545 -7.721 9.029 1.00 0.00 H new ATOM 0 HA GLN A 25 1.474 -8.071 10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.815 -7.667 11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.384 -9.072 10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.608 -9.436 12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.076 -9.146 13.324 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.517 -10.510 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.145 -12.236 11.549 1.00 0.00 H new ATOM 383 N ASP A 26 0.976 -10.626 9.046 1.00 0.00 N ATOM 384 CA ASP A 26 1.425 -11.976 8.724 1.00 0.00 C ATOM 385 C ASP A 26 2.900 -11.979 8.334 1.00 0.00 C ATOM 386 O ASP A 26 3.754 -12.423 9.100 1.00 0.00 O ATOM 387 CB ASP A 26 0.583 -12.558 7.588 1.00 0.00 C ATOM 388 CG ASP A 26 1.245 -13.753 6.930 1.00 0.00 C ATOM 389 OD1 ASP A 26 1.919 -14.525 7.644 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.091 -13.916 5.701 1.00 0.00 O ATOM 0 H ASP A 26 0.460 -10.163 8.298 1.00 0.00 H new ATOM 0 HA ASP A 26 1.301 -12.596 9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.391 -12.854 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.406 -11.786 6.839 1.00 0.00 H new ATOM 395 N GLY A 27 3.191 -11.482 7.135 1.00 0.00 N ATOM 396 CA GLY A 27 4.563 -11.438 6.664 1.00 0.00 C ATOM 397 C GLY A 27 4.732 -10.540 5.454 1.00 0.00 C ATOM 398 O GLY A 27 5.309 -10.947 4.446 1.00 0.00 O ATOM 0 H GLY A 27 2.501 -11.109 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.209 -11.085 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.890 -12.447 6.412 1.00 0.00 H new ATOM 402 N SER A 28 4.225 -9.315 5.553 1.00 0.00 N ATOM 403 CA SER A 28 4.318 -8.359 4.456 1.00 0.00 C ATOM 404 C SER A 28 4.924 -7.042 4.933 1.00 0.00 C ATOM 405 O SER A 28 4.805 -6.679 6.103 1.00 0.00 O ATOM 406 CB SER A 28 2.935 -8.108 3.852 1.00 0.00 C ATOM 407 OG SER A 28 2.878 -6.842 3.218 1.00 0.00 O ATOM 0 H SER A 28 3.746 -8.962 6.381 1.00 0.00 H new ATOM 0 HA SER A 28 4.969 -8.783 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.702 -8.891 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.178 -8.161 4.634 1.00 0.00 H new ATOM 0 HG SER A 28 2.512 -6.945 2.315 1.00 0.00 H new ATOM 413 N VAL A 29 5.574 -6.331 4.017 1.00 0.00 N ATOM 414 CA VAL A 29 6.198 -5.054 4.342 1.00 0.00 C ATOM 415 C VAL A 29 6.816 -4.414 3.105 1.00 0.00 C ATOM 416 O VAL A 29 7.822 -4.893 2.581 1.00 0.00 O ATOM 417 CB VAL A 29 7.287 -5.220 5.419 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.265 -6.316 5.026 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.014 -3.903 5.648 1.00 0.00 C ATOM 0 H VAL A 29 5.682 -6.618 3.044 1.00 0.00 H new ATOM 0 HA VAL A 29 5.411 -4.406 4.728 1.00 0.00 H new ATOM 0 HB VAL A 29 6.808 -5.512 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.027 -6.418 5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.730 -7.259 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.741 -6.057 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.780 -4.038 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.482 -3.579 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.302 -3.147 5.978 1.00 0.00 H new ATOM 429 N VAL A 30 6.208 -3.327 2.641 1.00 0.00 N ATOM 430 CA VAL A 30 6.699 -2.618 1.465 1.00 0.00 C ATOM 431 C VAL A 30 6.439 -1.120 1.578 1.00 0.00 C ATOM 432 O VAL A 30 5.445 -0.696 2.166 1.00 0.00 O ATOM 433 CB VAL A 30 6.041 -3.147 0.176 1.00 0.00 C ATOM 434 CG1 VAL A 30 6.659 -2.487 -1.048 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.167 -4.661 0.097 1.00 0.00 C ATOM 0 H VAL A 30 5.374 -2.918 3.062 1.00 0.00 H new ATOM 0 HA VAL A 30 7.773 -2.794 1.414 1.00 0.00 H new ATOM 0 HB VAL A 30 4.981 -2.894 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.182 -2.873 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.512 -1.408 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.726 -2.707 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.697 -5.018 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.221 -4.939 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.673 -5.113 0.958 1.00 0.00 H new ATOM 445 N GLN A 31 7.340 -0.325 1.009 1.00 0.00 N ATOM 446 CA GLN A 31 7.208 1.127 1.046 1.00 0.00 C ATOM 447 C GLN A 31 7.020 1.692 -0.358 1.00 0.00 C ATOM 448 O GLN A 31 7.632 1.219 -1.316 1.00 0.00 O ATOM 449 CB GLN A 31 8.439 1.755 1.702 1.00 0.00 C ATOM 450 CG GLN A 31 9.755 1.204 1.178 1.00 0.00 C ATOM 451 CD GLN A 31 10.955 1.978 1.686 1.00 0.00 C ATOM 452 OE1 GLN A 31 11.379 2.960 1.076 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.511 1.539 2.810 1.00 0.00 N ATOM 0 H GLN A 31 8.168 -0.661 0.518 1.00 0.00 H new ATOM 0 HA GLN A 31 6.326 1.372 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.416 2.833 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.389 1.592 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.850 0.159 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.747 1.228 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.127 0.721 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.322 2.020 3.200 1.00 0.00 H new ATOM 462 N PHE A 32 6.170 2.707 -0.473 1.00 0.00 N ATOM 463 CA PHE A 32 5.900 3.336 -1.760 1.00 0.00 C ATOM 464 C PHE A 32 5.600 4.822 -1.587 1.00 0.00 C ATOM 465 O PHE A 32 5.403 5.302 -0.470 1.00 0.00 O ATOM 466 CB PHE A 32 4.725 2.644 -2.454 1.00 0.00 C ATOM 467 CG PHE A 32 5.131 1.817 -3.639 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.658 0.547 -3.466 1.00 0.00 C ATOM 469 CD2 PHE A 32 4.986 2.308 -4.927 1.00 0.00 C ATOM 470 CE1 PHE A 32 6.034 -0.216 -4.556 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.359 1.549 -6.020 1.00 0.00 C ATOM 472 CZ PHE A 32 5.883 0.285 -5.834 1.00 0.00 C ATOM 0 H PHE A 32 5.656 3.111 0.310 1.00 0.00 H new ATOM 0 HA PHE A 32 6.790 3.233 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.213 2.006 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.008 3.399 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.776 0.149 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.577 3.296 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.446 -1.203 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.241 1.944 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.174 -0.311 -6.686 1.00 0.00 H new ATOM 482 N LYS A 33 5.566 5.547 -2.700 1.00 0.00 N ATOM 483 CA LYS A 33 5.290 6.978 -2.674 1.00 0.00 C ATOM 484 C LYS A 33 4.288 7.358 -3.760 1.00 0.00 C ATOM 485 O LYS A 33 4.407 6.923 -4.906 1.00 0.00 O ATOM 486 CB LYS A 33 6.585 7.772 -2.859 1.00 0.00 C ATOM 487 CG LYS A 33 7.740 7.255 -2.019 1.00 0.00 C ATOM 488 CD LYS A 33 8.756 8.349 -1.735 1.00 0.00 C ATOM 489 CE LYS A 33 9.861 7.857 -0.813 1.00 0.00 C ATOM 490 NZ LYS A 33 10.790 6.923 -1.508 1.00 0.00 N ATOM 0 H LYS A 33 5.726 5.166 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 33 4.858 7.222 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.871 7.745 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.401 8.816 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.358 6.859 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.228 6.430 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.190 8.696 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.255 9.204 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.422 8.710 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.419 7.356 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.528 6.611 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.260 6.096 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.232 7.409 -2.315 1.00 0.00 H new ATOM 504 N ILE A 34 3.305 8.173 -3.393 1.00 0.00 N ATOM 505 CA ILE A 34 2.286 8.613 -4.337 1.00 0.00 C ATOM 506 C ILE A 34 1.616 9.898 -3.863 1.00 0.00 C ATOM 507 O ILE A 34 1.708 10.264 -2.690 1.00 0.00 O ATOM 508 CB ILE A 34 1.208 7.533 -4.546 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.493 7.748 -5.882 1.00 0.00 C ATOM 510 CG2 ILE A 34 0.212 7.549 -3.397 1.00 0.00 C ATOM 511 CD1 ILE A 34 0.214 6.463 -6.631 1.00 0.00 C ATOM 0 H ILE A 34 3.193 8.542 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 34 2.792 8.798 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 34 1.692 6.556 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.449 8.266 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.100 8.400 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.543 6.780 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.734 7.353 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.269 8.526 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.294 6.691 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.154 5.954 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.419 5.817 -6.023 1.00 0.00 H new ATOM 523 N LYS A 35 0.940 10.580 -4.781 1.00 0.00 N ATOM 524 CA LYS A 35 0.250 11.824 -4.458 1.00 0.00 C ATOM 525 C LYS A 35 -0.867 11.580 -3.448 1.00 0.00 C ATOM 526 O LYS A 35 -1.079 10.452 -3.003 1.00 0.00 O ATOM 527 CB LYS A 35 -0.324 12.457 -5.727 1.00 0.00 C ATOM 528 CG LYS A 35 0.644 12.459 -6.897 1.00 0.00 C ATOM 529 CD LYS A 35 0.113 13.283 -8.058 1.00 0.00 C ATOM 530 CE LYS A 35 -0.843 12.476 -8.924 1.00 0.00 C ATOM 531 NZ LYS A 35 -0.994 13.067 -10.283 1.00 0.00 N ATOM 0 H LYS A 35 0.855 10.292 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 35 0.974 12.507 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.227 11.919 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.620 13.483 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.605 12.860 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.820 11.435 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.399 14.166 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.946 13.636 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.478 11.453 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.818 12.426 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.653 12.488 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.366 14.035 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.068 13.091 -10.756 1.00 0.00 H new ATOM 545 N ARG A 36 -1.580 12.644 -3.092 1.00 0.00 N ATOM 546 CA ARG A 36 -2.675 12.545 -2.136 1.00 0.00 C ATOM 547 C ARG A 36 -4.012 12.383 -2.854 1.00 0.00 C ATOM 548 O ARG A 36 -5.062 12.285 -2.219 1.00 0.00 O ATOM 549 CB ARG A 36 -2.712 13.784 -1.240 1.00 0.00 C ATOM 550 CG ARG A 36 -3.200 15.036 -1.952 1.00 0.00 C ATOM 551 CD ARG A 36 -3.309 16.214 -0.996 1.00 0.00 C ATOM 552 NE ARG A 36 -2.079 16.416 -0.235 1.00 0.00 N ATOM 553 CZ ARG A 36 -2.009 17.162 0.862 1.00 0.00 C ATOM 554 NH1 ARG A 36 -3.091 17.773 1.323 1.00 0.00 N ATOM 555 NH2 ARG A 36 -0.853 17.298 1.500 1.00 0.00 N ATOM 0 H ARG A 36 -1.418 13.585 -3.452 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.505 11.663 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.360 13.586 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.712 13.967 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.515 15.286 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.172 14.843 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.539 17.118 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.138 16.047 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.228 15.960 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.981 17.671 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.034 18.345 2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.018 16.830 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.800 17.871 2.342 1.00 0.00 H new ATOM 569 N HIS A 37 -3.964 12.357 -4.182 1.00 0.00 N ATOM 570 CA HIS A 37 -5.171 12.207 -4.988 1.00 0.00 C ATOM 571 C HIS A 37 -5.007 11.085 -6.009 1.00 0.00 C ATOM 572 O HIS A 37 -5.212 11.287 -7.207 1.00 0.00 O ATOM 573 CB HIS A 37 -5.499 13.518 -5.701 1.00 0.00 C ATOM 574 CG HIS A 37 -6.855 13.531 -6.338 1.00 0.00 C ATOM 575 ND1 HIS A 37 -7.256 14.497 -7.237 1.00 0.00 N ATOM 576 CD2 HIS A 37 -7.905 12.687 -6.202 1.00 0.00 C ATOM 577 CE1 HIS A 37 -8.493 14.247 -7.625 1.00 0.00 C ATOM 578 NE2 HIS A 37 -8.910 13.154 -7.012 1.00 0.00 N ATOM 0 H HIS A 37 -3.103 12.438 -4.723 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.994 11.949 -4.321 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.435 14.337 -4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.745 13.704 -6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.944 11.810 -5.573 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.067 14.836 -8.325 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -9.829 12.726 -7.123 1.00 0.00 H new ATOM 586 N THR A 38 -4.635 9.903 -5.528 1.00 0.00 N ATOM 587 CA THR A 38 -4.441 8.750 -6.399 1.00 0.00 C ATOM 588 C THR A 38 -5.439 7.644 -6.076 1.00 0.00 C ATOM 589 O THR A 38 -5.757 7.380 -4.916 1.00 0.00 O ATOM 590 CB THR A 38 -3.012 8.189 -6.278 1.00 0.00 C ATOM 591 OG1 THR A 38 -2.694 7.406 -7.434 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.870 7.336 -5.027 1.00 0.00 C ATOM 0 H THR A 38 -4.462 9.719 -4.540 1.00 0.00 H new ATOM 0 HA THR A 38 -4.602 9.094 -7.421 1.00 0.00 H new ATOM 0 HB THR A 38 -2.320 9.028 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.488 6.488 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.852 6.951 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.085 7.942 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.571 6.503 -5.073 1.00 0.00 H new ATOM 600 N PRO A 39 -5.945 6.978 -7.125 1.00 0.00 N ATOM 601 CA PRO A 39 -6.914 5.888 -6.977 1.00 0.00 C ATOM 602 C PRO A 39 -6.292 4.639 -6.361 1.00 0.00 C ATOM 603 O PRO A 39 -5.364 4.054 -6.921 1.00 0.00 O ATOM 604 CB PRO A 39 -7.357 5.610 -8.416 1.00 0.00 C ATOM 605 CG PRO A 39 -6.217 6.068 -9.259 1.00 0.00 C ATOM 606 CD PRO A 39 -5.612 7.239 -8.535 1.00 0.00 C ATOM 0 HA PRO A 39 -7.732 6.158 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.562 4.550 -8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.272 6.150 -8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.485 5.271 -9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.558 6.357 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.534 7.294 -8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.032 8.184 -8.879 1.00 0.00 H new ATOM 614 N LEU A 40 -6.807 4.236 -5.205 1.00 0.00 N ATOM 615 CA LEU A 40 -6.303 3.056 -4.512 1.00 0.00 C ATOM 616 C LEU A 40 -6.229 1.860 -5.456 1.00 0.00 C ATOM 617 O LEU A 40 -5.378 0.985 -5.300 1.00 0.00 O ATOM 618 CB LEU A 40 -7.195 2.722 -3.316 1.00 0.00 C ATOM 619 CG LEU A 40 -6.873 3.455 -2.013 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.862 3.067 -0.924 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.448 3.158 -1.572 1.00 0.00 C ATOM 0 H LEU A 40 -7.574 4.709 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.297 3.277 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.228 2.940 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.134 1.650 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.961 4.527 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.617 3.598 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.872 3.332 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.807 1.993 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.237 3.688 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.332 2.086 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.752 3.487 -2.344 1.00 0.00 H new ATOM 633 N SER A 41 -7.126 1.831 -6.437 1.00 0.00 N ATOM 634 CA SER A 41 -7.165 0.742 -7.405 1.00 0.00 C ATOM 635 C SER A 41 -5.795 0.535 -8.045 1.00 0.00 C ATOM 636 O SER A 41 -5.282 -0.584 -8.095 1.00 0.00 O ATOM 637 CB SER A 41 -8.207 1.030 -8.488 1.00 0.00 C ATOM 638 OG SER A 41 -7.964 2.280 -9.110 1.00 0.00 O ATOM 0 H SER A 41 -7.835 2.550 -6.582 1.00 0.00 H new ATOM 0 HA SER A 41 -7.443 -0.170 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.187 0.238 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.204 1.027 -8.048 1.00 0.00 H new ATOM 0 HG SER A 41 -8.642 2.440 -9.799 1.00 0.00 H new ATOM 644 N LYS A 42 -5.207 1.621 -8.533 1.00 0.00 N ATOM 645 CA LYS A 42 -3.896 1.562 -9.169 1.00 0.00 C ATOM 646 C LYS A 42 -2.893 0.834 -8.280 1.00 0.00 C ATOM 647 O LYS A 42 -1.938 0.229 -8.770 1.00 0.00 O ATOM 648 CB LYS A 42 -3.391 2.974 -9.475 1.00 0.00 C ATOM 649 CG LYS A 42 -2.816 3.691 -8.266 1.00 0.00 C ATOM 650 CD LYS A 42 -1.308 3.524 -8.184 1.00 0.00 C ATOM 651 CE LYS A 42 -0.589 4.510 -9.092 1.00 0.00 C ATOM 652 NZ LYS A 42 -0.353 3.943 -10.449 1.00 0.00 N ATOM 0 H LYS A 42 -5.618 2.554 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.997 1.008 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.627 2.917 -10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.213 3.565 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.063 4.751 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.276 3.301 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.980 3.669 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.038 2.506 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.179 5.422 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.365 4.788 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.622 4.150 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.497 2.913 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.019 4.370 -11.124 1.00 0.00 H new ATOM 666 N LEU A 43 -3.115 0.895 -6.972 1.00 0.00 N ATOM 667 CA LEU A 43 -2.231 0.240 -6.014 1.00 0.00 C ATOM 668 C LEU A 43 -2.452 -1.270 -6.013 1.00 0.00 C ATOM 669 O LEU A 43 -1.555 -2.038 -6.357 1.00 0.00 O ATOM 670 CB LEU A 43 -2.461 0.801 -4.610 1.00 0.00 C ATOM 671 CG LEU A 43 -1.243 0.818 -3.686 1.00 0.00 C ATOM 672 CD1 LEU A 43 -0.599 -0.558 -3.626 1.00 0.00 C ATOM 673 CD2 LEU A 43 -0.236 1.860 -4.149 1.00 0.00 C ATOM 0 H LEU A 43 -3.900 1.391 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.202 0.438 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.834 1.821 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.247 0.217 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.576 1.085 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.266 -0.526 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.321 -1.281 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.280 -0.854 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.624 1.858 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.092 1.624 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.701 2.846 -4.138 1.00 0.00 H new ATOM 685 N MET A 44 -3.653 -1.686 -5.626 1.00 0.00 N ATOM 686 CA MET A 44 -3.994 -3.104 -5.584 1.00 0.00 C ATOM 687 C MET A 44 -3.697 -3.774 -6.922 1.00 0.00 C ATOM 688 O MET A 44 -3.084 -4.840 -6.972 1.00 0.00 O ATOM 689 CB MET A 44 -5.470 -3.285 -5.225 1.00 0.00 C ATOM 690 CG MET A 44 -6.412 -2.471 -6.097 1.00 0.00 C ATOM 691 SD MET A 44 -8.112 -2.501 -5.498 1.00 0.00 S ATOM 692 CE MET A 44 -8.811 -3.788 -6.528 1.00 0.00 C ATOM 0 H MET A 44 -4.406 -1.062 -5.337 1.00 0.00 H new ATOM 0 HA MET A 44 -3.381 -3.577 -4.817 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.729 -4.340 -5.311 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.619 -3.004 -4.182 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.063 -1.439 -6.137 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.383 -2.857 -7.116 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.863 -3.925 -6.276 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.723 -3.503 -7.576 1.00 0.00 H new ATOM 0 HE3 MET A 44 -8.273 -4.721 -6.360 1.00 0.00 H new ATOM 702 N LYS A 45 -4.137 -3.142 -8.005 1.00 0.00 N ATOM 703 CA LYS A 45 -3.919 -3.676 -9.344 1.00 0.00 C ATOM 704 C LYS A 45 -2.450 -4.029 -9.556 1.00 0.00 C ATOM 705 O LYS A 45 -2.115 -5.174 -9.860 1.00 0.00 O ATOM 706 CB LYS A 45 -4.368 -2.662 -10.399 1.00 0.00 C ATOM 707 CG LYS A 45 -5.876 -2.566 -10.547 1.00 0.00 C ATOM 708 CD LYS A 45 -6.453 -3.807 -11.208 1.00 0.00 C ATOM 709 CE LYS A 45 -6.399 -3.707 -12.724 1.00 0.00 C ATOM 710 NZ LYS A 45 -5.076 -4.128 -13.262 1.00 0.00 N ATOM 0 H LYS A 45 -4.647 -2.259 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.512 -4.585 -9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.974 -1.680 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.934 -2.934 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.331 -2.431 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.129 -1.687 -11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.898 -4.686 -10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.486 -3.944 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.182 -4.330 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.604 -2.680 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.209 -4.607 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.473 -3.291 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.620 -4.780 -12.592 1.00 0.00 H new ATOM 724 N ALA A 46 -1.578 -3.039 -9.393 1.00 0.00 N ATOM 725 CA ALA A 46 -0.146 -3.247 -9.563 1.00 0.00 C ATOM 726 C ALA A 46 0.385 -4.263 -8.558 1.00 0.00 C ATOM 727 O ALA A 46 1.266 -5.062 -8.875 1.00 0.00 O ATOM 728 CB ALA A 46 0.599 -1.927 -9.426 1.00 0.00 C ATOM 0 H ALA A 46 -1.839 -2.085 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 46 0.022 -3.644 -10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.668 -2.097 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.248 -1.230 -10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.416 -1.507 -8.437 1.00 0.00 H new ATOM 734 N TYR A 47 -0.157 -4.227 -7.346 1.00 0.00 N ATOM 735 CA TYR A 47 0.265 -5.143 -6.293 1.00 0.00 C ATOM 736 C TYR A 47 0.239 -6.587 -6.784 1.00 0.00 C ATOM 737 O TYR A 47 1.285 -7.214 -6.959 1.00 0.00 O ATOM 738 CB TYR A 47 -0.638 -4.994 -5.067 1.00 0.00 C ATOM 739 CG TYR A 47 0.104 -5.093 -3.753 1.00 0.00 C ATOM 740 CD1 TYR A 47 1.077 -6.065 -3.553 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.167 -4.214 -2.712 1.00 0.00 C ATOM 742 CE1 TYR A 47 1.757 -6.159 -2.354 1.00 0.00 C ATOM 743 CE2 TYR A 47 0.509 -4.300 -1.510 1.00 0.00 C ATOM 744 CZ TYR A 47 1.469 -5.274 -1.336 1.00 0.00 C ATOM 745 OH TYR A 47 2.145 -5.364 -0.141 1.00 0.00 O ATOM 0 H TYR A 47 -0.889 -3.574 -7.068 1.00 0.00 H new ATOM 0 HA TYR A 47 1.289 -4.891 -6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.147 -4.031 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.409 -5.764 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.305 -6.759 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.919 -3.450 -2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.510 -6.921 -2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.287 -3.608 -0.711 1.00 0.00 H new ATOM 0 HH TYR A 47 2.491 -4.481 0.107 1.00 0.00 H new ATOM 755 N CYS A 48 -0.963 -7.108 -7.006 1.00 0.00 N ATOM 756 CA CYS A 48 -1.127 -8.479 -7.478 1.00 0.00 C ATOM 757 C CYS A 48 -0.266 -8.736 -8.711 1.00 0.00 C ATOM 758 O CYS A 48 0.209 -9.850 -8.925 1.00 0.00 O ATOM 759 CB CYS A 48 -2.596 -8.757 -7.799 1.00 0.00 C ATOM 760 SG CYS A 48 -2.864 -10.237 -8.802 1.00 0.00 S ATOM 0 H CYS A 48 -1.838 -6.602 -6.867 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.803 -9.152 -6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.148 -8.859 -6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.012 -7.896 -8.322 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.137 -10.389 -9.019 1.00 0.00 H new ATOM 766 N GLU A 49 -0.072 -7.698 -9.518 1.00 0.00 N ATOM 767 CA GLU A 49 0.729 -7.813 -10.730 1.00 0.00 C ATOM 768 C GLU A 49 2.083 -8.450 -10.430 1.00 0.00 C ATOM 769 O GLU A 49 2.532 -9.346 -11.145 1.00 0.00 O ATOM 770 CB GLU A 49 0.931 -6.437 -11.368 1.00 0.00 C ATOM 771 CG GLU A 49 1.129 -6.486 -12.873 1.00 0.00 C ATOM 772 CD GLU A 49 -0.155 -6.789 -13.621 1.00 0.00 C ATOM 773 OE1 GLU A 49 -1.165 -6.100 -13.366 1.00 0.00 O ATOM 774 OE2 GLU A 49 -0.150 -7.714 -14.460 1.00 0.00 O ATOM 0 H GLU A 49 -0.459 -6.768 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 49 0.192 -8.454 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.067 -5.812 -11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.797 -5.958 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.527 -5.531 -13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.873 -7.246 -13.113 1.00 0.00 H new ATOM 781 N ARG A 50 2.728 -7.980 -9.367 1.00 0.00 N ATOM 782 CA ARG A 50 4.031 -8.502 -8.972 1.00 0.00 C ATOM 783 C ARG A 50 3.884 -9.574 -7.896 1.00 0.00 C ATOM 784 O ARG A 50 4.633 -10.550 -7.874 1.00 0.00 O ATOM 785 CB ARG A 50 4.924 -7.370 -8.461 1.00 0.00 C ATOM 786 CG ARG A 50 4.249 -6.481 -7.428 1.00 0.00 C ATOM 787 CD ARG A 50 5.264 -5.853 -6.486 1.00 0.00 C ATOM 788 NE ARG A 50 6.124 -4.891 -7.170 1.00 0.00 N ATOM 789 CZ ARG A 50 7.173 -4.308 -6.601 1.00 0.00 C ATOM 790 NH1 ARG A 50 7.490 -4.588 -5.344 1.00 0.00 N ATOM 791 NH2 ARG A 50 7.907 -3.443 -7.289 1.00 0.00 N ATOM 0 H ARG A 50 2.370 -7.239 -8.764 1.00 0.00 H new ATOM 0 HA ARG A 50 4.495 -8.953 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.826 -7.799 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.238 -6.757 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.686 -5.696 -7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.532 -7.068 -6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.741 -5.355 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.878 -6.636 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 50 5.907 -4.654 -8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.928 -5.252 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.296 -4.139 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.666 -3.225 -8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.712 -2.996 -6.851 1.00 0.00 H new ATOM 805 N GLN A 51 2.915 -9.383 -7.007 1.00 0.00 N ATOM 806 CA GLN A 51 2.672 -10.333 -5.928 1.00 0.00 C ATOM 807 C GLN A 51 1.203 -10.741 -5.883 1.00 0.00 C ATOM 808 O GLN A 51 0.480 -10.392 -4.950 1.00 0.00 O ATOM 809 CB GLN A 51 3.087 -9.730 -4.585 1.00 0.00 C ATOM 810 CG GLN A 51 4.536 -10.006 -4.217 1.00 0.00 C ATOM 811 CD GLN A 51 5.479 -8.925 -4.708 1.00 0.00 C ATOM 812 OE1 GLN A 51 5.890 -8.925 -5.869 1.00 0.00 O ATOM 813 NE2 GLN A 51 5.827 -7.996 -3.826 1.00 0.00 N ATOM 0 H GLN A 51 2.286 -8.580 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 51 3.272 -11.223 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.927 -8.652 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.440 -10.126 -3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.622 -10.093 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.838 -10.965 -4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.463 -8.035 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.459 -7.244 -4.100 1.00 0.00 H new ATOM 822 N GLY A 52 0.767 -11.481 -6.898 1.00 0.00 N ATOM 823 CA GLY A 52 -0.614 -11.924 -6.955 1.00 0.00 C ATOM 824 C GLY A 52 -0.831 -13.239 -6.234 1.00 0.00 C ATOM 825 O GLY A 52 -1.037 -14.276 -6.866 1.00 0.00 O ATOM 0 H GLY A 52 1.346 -11.782 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.256 -11.161 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.915 -12.030 -7.997 1.00 0.00 H new ATOM 829 N LEU A 53 -0.784 -13.199 -4.907 1.00 0.00 N ATOM 830 CA LEU A 53 -0.976 -14.398 -4.098 1.00 0.00 C ATOM 831 C LEU A 53 -2.451 -14.598 -3.763 1.00 0.00 C ATOM 832 O LEU A 53 -2.998 -15.685 -3.950 1.00 0.00 O ATOM 833 CB LEU A 53 -0.157 -14.305 -2.810 1.00 0.00 C ATOM 834 CG LEU A 53 1.196 -13.601 -2.924 1.00 0.00 C ATOM 835 CD1 LEU A 53 1.137 -12.224 -2.282 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.290 -14.443 -2.285 1.00 0.00 C ATOM 0 H LEU A 53 -0.615 -12.350 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.634 -15.256 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.753 -13.784 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.012 -15.315 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 53 1.431 -13.476 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.109 -11.738 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.381 -11.620 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.879 -12.325 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.246 -13.927 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.060 -14.599 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.349 -15.407 -2.790 1.00 0.00 H new ATOM 848 N SER A 54 -3.089 -13.542 -3.268 1.00 0.00 N ATOM 849 CA SER A 54 -4.500 -13.603 -2.906 1.00 0.00 C ATOM 850 C SER A 54 -5.104 -12.203 -2.841 1.00 0.00 C ATOM 851 O SER A 54 -5.136 -11.578 -1.782 1.00 0.00 O ATOM 852 CB SER A 54 -4.673 -14.308 -1.559 1.00 0.00 C ATOM 853 OG SER A 54 -3.536 -14.118 -0.734 1.00 0.00 O ATOM 0 H SER A 54 -2.651 -12.635 -3.109 1.00 0.00 H new ATOM 0 HA SER A 54 -5.023 -14.171 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.560 -13.924 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.835 -15.374 -1.721 1.00 0.00 H new ATOM 0 HG SER A 54 -3.672 -14.577 0.121 1.00 0.00 H new ATOM 859 N MET A 55 -5.583 -11.719 -3.982 1.00 0.00 N ATOM 860 CA MET A 55 -6.188 -10.394 -4.056 1.00 0.00 C ATOM 861 C MET A 55 -7.328 -10.260 -3.051 1.00 0.00 C ATOM 862 O MET A 55 -7.587 -9.174 -2.533 1.00 0.00 O ATOM 863 CB MET A 55 -6.705 -10.124 -5.470 1.00 0.00 C ATOM 864 CG MET A 55 -7.710 -11.155 -5.957 1.00 0.00 C ATOM 865 SD MET A 55 -7.669 -11.374 -7.746 1.00 0.00 S ATOM 866 CE MET A 55 -6.598 -12.803 -7.887 1.00 0.00 C ATOM 0 H MET A 55 -5.564 -12.224 -4.868 1.00 0.00 H new ATOM 0 HA MET A 55 -5.422 -9.658 -3.810 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.167 -9.137 -5.497 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.860 -10.099 -6.158 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.508 -12.111 -5.473 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.712 -10.851 -5.655 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.475 -13.063 -8.938 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.625 -12.572 -7.454 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.042 -13.644 -7.355 1.00 0.00 H new ATOM 876 N ARG A 56 -8.005 -11.371 -2.780 1.00 0.00 N ATOM 877 CA ARG A 56 -9.118 -11.377 -1.838 1.00 0.00 C ATOM 878 C ARG A 56 -8.628 -11.124 -0.415 1.00 0.00 C ATOM 879 O ARG A 56 -9.382 -10.655 0.437 1.00 0.00 O ATOM 880 CB ARG A 56 -9.862 -12.712 -1.903 1.00 0.00 C ATOM 881 CG ARG A 56 -11.177 -12.714 -1.140 1.00 0.00 C ATOM 882 CD ARG A 56 -12.333 -12.267 -2.021 1.00 0.00 C ATOM 883 NE ARG A 56 -12.764 -13.321 -2.935 1.00 0.00 N ATOM 884 CZ ARG A 56 -13.465 -13.094 -4.041 1.00 0.00 C ATOM 885 NH1 ARG A 56 -13.810 -11.856 -4.368 1.00 0.00 N ATOM 886 NH2 ARG A 56 -13.820 -14.106 -4.822 1.00 0.00 N ATOM 0 H ARG A 56 -7.802 -12.278 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.801 -10.574 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.057 -12.959 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.219 -13.497 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.376 -13.715 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.099 -12.053 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.172 -11.966 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.033 -11.390 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.513 -14.284 -2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.537 -11.076 -3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.348 -11.684 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.555 -15.059 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.358 -13.931 -5.671 1.00 0.00 H new ATOM 900 N GLN A 57 -7.361 -11.439 -0.167 1.00 0.00 N ATOM 901 CA GLN A 57 -6.771 -11.248 1.153 1.00 0.00 C ATOM 902 C GLN A 57 -6.085 -9.889 1.250 1.00 0.00 C ATOM 903 O GLN A 57 -6.410 -9.081 2.121 1.00 0.00 O ATOM 904 CB GLN A 57 -5.767 -12.362 1.453 1.00 0.00 C ATOM 905 CG GLN A 57 -6.379 -13.558 2.162 1.00 0.00 C ATOM 906 CD GLN A 57 -7.612 -14.088 1.456 1.00 0.00 C ATOM 907 OE1 GLN A 57 -7.525 -14.630 0.354 1.00 0.00 O ATOM 908 NE2 GLN A 57 -8.769 -13.933 2.088 1.00 0.00 N ATOM 0 H GLN A 57 -6.723 -11.827 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.573 -11.284 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.317 -12.696 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.962 -11.959 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.636 -14.352 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.642 -13.276 3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.795 -13.478 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.632 -14.269 1.661 1.00 0.00 H new ATOM 917 N ILE A 58 -5.137 -9.645 0.353 1.00 0.00 N ATOM 918 CA ILE A 58 -4.406 -8.383 0.338 1.00 0.00 C ATOM 919 C ILE A 58 -5.350 -7.204 0.126 1.00 0.00 C ATOM 920 O ILE A 58 -5.971 -7.075 -0.929 1.00 0.00 O ATOM 921 CB ILE A 58 -3.330 -8.369 -0.764 1.00 0.00 C ATOM 922 CG1 ILE A 58 -2.338 -9.515 -0.552 1.00 0.00 C ATOM 923 CG2 ILE A 58 -2.606 -7.031 -0.780 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.292 -9.617 -1.640 1.00 0.00 C ATOM 0 H ILE A 58 -4.856 -10.304 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.921 -8.287 1.309 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.817 -8.508 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.840 -9.381 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.887 -10.455 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.849 -7.036 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.322 -6.232 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.128 -6.864 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.623 -10.450 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.781 -9.782 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.717 -8.692 -1.680 1.00 0.00 H new ATOM 936 N ARG A 59 -5.451 -6.346 1.135 1.00 0.00 N ATOM 937 CA ARG A 59 -6.318 -5.176 1.060 1.00 0.00 C ATOM 938 C ARG A 59 -5.899 -4.121 2.079 1.00 0.00 C ATOM 939 O ARG A 59 -5.362 -4.446 3.139 1.00 0.00 O ATOM 940 CB ARG A 59 -7.775 -5.579 1.297 1.00 0.00 C ATOM 941 CG ARG A 59 -8.764 -4.832 0.417 1.00 0.00 C ATOM 942 CD ARG A 59 -10.155 -4.815 1.032 1.00 0.00 C ATOM 943 NE ARG A 59 -11.129 -5.520 0.203 1.00 0.00 N ATOM 944 CZ ARG A 59 -11.246 -6.843 0.170 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.454 -7.600 0.917 1.00 0.00 N ATOM 946 NH2 ARG A 59 -12.157 -7.410 -0.610 1.00 0.00 N ATOM 0 H ARG A 59 -4.943 -6.439 2.015 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.223 -4.749 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.881 -6.649 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.027 -5.402 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.419 -3.809 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.805 -5.302 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.120 -5.274 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.477 -3.783 1.171 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.754 -4.966 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.753 -7.167 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.546 -8.616 0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.768 -6.830 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.246 -8.426 -0.635 1.00 0.00 H new ATOM 960 N PHE A 60 -6.146 -2.857 1.751 1.00 0.00 N ATOM 961 CA PHE A 60 -5.792 -1.754 2.637 1.00 0.00 C ATOM 962 C PHE A 60 -6.807 -1.620 3.769 1.00 0.00 C ATOM 963 O PHE A 60 -7.999 -1.427 3.529 1.00 0.00 O ATOM 964 CB PHE A 60 -5.714 -0.445 1.849 1.00 0.00 C ATOM 965 CG PHE A 60 -4.444 -0.295 1.062 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.237 -0.067 1.704 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.456 -0.382 -0.321 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.067 0.072 0.981 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.289 -0.244 -1.049 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.093 -0.018 -0.397 1.00 0.00 C ATOM 0 H PHE A 60 -6.590 -2.571 0.878 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.815 -1.967 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.563 -0.389 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.805 0.392 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.210 0.003 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.388 -0.560 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.133 0.251 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.313 -0.313 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.180 0.088 -0.963 1.00 0.00 H new ATOM 980 N ARG A 61 -6.324 -1.723 5.003 1.00 0.00 N ATOM 981 CA ARG A 61 -7.188 -1.615 6.173 1.00 0.00 C ATOM 982 C ARG A 61 -6.424 -1.037 7.361 1.00 0.00 C ATOM 983 O ARG A 61 -5.250 -1.345 7.567 1.00 0.00 O ATOM 984 CB ARG A 61 -7.760 -2.986 6.539 1.00 0.00 C ATOM 985 CG ARG A 61 -6.817 -3.836 7.375 1.00 0.00 C ATOM 986 CD ARG A 61 -7.086 -3.667 8.862 1.00 0.00 C ATOM 987 NE ARG A 61 -6.846 -4.901 9.605 1.00 0.00 N ATOM 988 CZ ARG A 61 -7.611 -5.982 9.501 1.00 0.00 C ATOM 989 NH1 ARG A 61 -8.659 -5.981 8.688 1.00 0.00 N ATOM 990 NH2 ARG A 61 -7.328 -7.068 10.209 1.00 0.00 N ATOM 0 H ARG A 61 -5.340 -1.881 5.219 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.008 -0.940 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.692 -2.847 7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.005 -3.524 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.930 -4.885 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.786 -3.559 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.449 -2.876 9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.118 -3.350 9.010 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.047 -4.935 10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.879 -5.149 8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.245 -6.812 8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.522 -7.074 10.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.916 -7.897 10.128 1.00 0.00 H new ATOM 1004 N PHE A 62 -7.099 -0.196 8.138 1.00 0.00 N ATOM 1005 CA PHE A 62 -6.484 0.427 9.305 1.00 0.00 C ATOM 1006 C PHE A 62 -6.882 -0.303 10.584 1.00 0.00 C ATOM 1007 O PHE A 62 -7.834 -1.084 10.596 1.00 0.00 O ATOM 1008 CB PHE A 62 -6.890 1.899 9.396 1.00 0.00 C ATOM 1009 CG PHE A 62 -6.014 2.707 10.311 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -4.675 2.902 10.015 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -6.530 3.270 11.467 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -3.866 3.645 10.854 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -5.726 4.014 12.310 1.00 0.00 C ATOM 1014 CZ PHE A 62 -4.392 4.201 12.004 1.00 0.00 C ATOM 0 H PHE A 62 -8.071 0.070 7.981 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.402 0.362 9.193 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.862 2.338 8.399 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.921 1.962 9.744 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.258 2.468 9.118 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.572 3.126 11.712 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.824 3.791 10.611 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.141 4.449 13.207 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.762 4.781 12.662 1.00 0.00 H new ATOM 1024 N ASP A 63 -6.147 -0.042 11.660 1.00 0.00 N ATOM 1025 CA ASP A 63 -6.423 -0.673 12.945 1.00 0.00 C ATOM 1026 C ASP A 63 -7.638 -0.037 13.613 1.00 0.00 C ATOM 1027 O ASP A 63 -7.542 0.500 14.716 1.00 0.00 O ATOM 1028 CB ASP A 63 -5.204 -0.563 13.863 1.00 0.00 C ATOM 1029 CG ASP A 63 -3.969 -1.207 13.265 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -3.990 -2.435 13.041 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -2.981 -0.482 13.022 1.00 0.00 O ATOM 0 H ASP A 63 -5.356 0.602 11.667 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.640 -1.726 12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.000 0.488 14.066 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.429 -1.035 14.819 1.00 0.00 H new ATOM 1036 N GLY A 64 -8.780 -0.100 12.936 1.00 0.00 N ATOM 1037 CA GLY A 64 -9.997 0.475 13.479 1.00 0.00 C ATOM 1038 C GLY A 64 -11.216 0.154 12.637 1.00 0.00 C ATOM 1039 O GLY A 64 -12.315 -0.017 13.165 1.00 0.00 O ATOM 0 H GLY A 64 -8.884 -0.539 12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.151 0.103 14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.883 1.557 13.551 1.00 0.00 H new ATOM 1043 N GLN A 65 -11.022 0.073 11.325 1.00 0.00 N ATOM 1044 CA GLN A 65 -12.116 -0.228 10.409 1.00 0.00 C ATOM 1045 C GLN A 65 -11.612 -0.327 8.973 1.00 0.00 C ATOM 1046 O GLN A 65 -10.568 0.221 8.616 1.00 0.00 O ATOM 1047 CB GLN A 65 -13.202 0.845 10.507 1.00 0.00 C ATOM 1048 CG GLN A 65 -12.653 2.261 10.577 1.00 0.00 C ATOM 1049 CD GLN A 65 -12.535 2.773 11.999 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -13.486 2.697 12.779 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -11.366 3.297 12.345 1.00 0.00 N ATOM 0 H GLN A 65 -10.118 0.211 10.872 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.540 -1.191 10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.862 0.762 9.643 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.810 0.656 11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.672 2.290 10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.302 2.927 10.008 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.605 3.340 11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.228 3.657 13.289 1.00 0.00 H new ATOM 1060 N PRO A 66 -12.368 -1.043 8.127 1.00 0.00 N ATOM 1061 CA PRO A 66 -12.018 -1.230 6.716 1.00 0.00 C ATOM 1062 C PRO A 66 -12.158 0.055 5.908 1.00 0.00 C ATOM 1063 O PRO A 66 -13.038 0.874 6.176 1.00 0.00 O ATOM 1064 CB PRO A 66 -13.026 -2.277 6.236 1.00 0.00 C ATOM 1065 CG PRO A 66 -14.193 -2.126 7.151 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.624 -1.724 8.484 1.00 0.00 C ATOM 0 HA PRO A 66 -10.978 -1.531 6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.312 -2.105 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.608 -3.282 6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.886 -1.371 6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.750 -3.059 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.300 -1.063 9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.445 -2.589 9.122 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.287 0.225 4.920 1.00 0.00 N ATOM 1075 CA ILE A 67 -11.315 1.411 4.072 1.00 0.00 C ATOM 1076 C ILE A 67 -12.351 1.267 2.962 1.00 0.00 C ATOM 1077 O ILE A 67 -12.775 0.160 2.634 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.938 1.685 3.441 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.824 1.394 4.449 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.855 3.124 2.954 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -8.945 2.189 5.730 1.00 0.00 C ATOM 0 H ILE A 67 -10.553 -0.443 4.686 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.585 2.251 4.712 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.810 1.024 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.831 0.331 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.861 1.610 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.875 3.302 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.629 3.301 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.001 3.802 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.122 1.932 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.908 3.254 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.892 1.955 6.215 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.752 2.396 2.385 1.00 0.00 N ATOM 1094 CA ASN A 68 -13.737 2.396 1.310 1.00 0.00 C ATOM 1095 C ASN A 68 -13.058 2.272 -0.051 1.00 0.00 C ATOM 1096 O ASN A 68 -11.833 2.193 -0.138 1.00 0.00 O ATOM 1097 CB ASN A 68 -14.575 3.675 1.359 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.849 4.133 2.778 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -15.135 3.323 3.659 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -14.762 5.439 3.006 1.00 0.00 N ATOM 0 H ASN A 68 -12.410 3.321 2.644 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.390 1.535 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.056 4.467 0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.522 3.506 0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.935 5.806 3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.522 6.075 2.245 1.00 0.00 H new ATOM 1107 N GLU A 69 -13.862 2.256 -1.109 1.00 0.00 N ATOM 1108 CA GLU A 69 -13.338 2.141 -2.465 1.00 0.00 C ATOM 1109 C GLU A 69 -13.191 3.516 -3.109 1.00 0.00 C ATOM 1110 O GLU A 69 -12.323 3.728 -3.957 1.00 0.00 O ATOM 1111 CB GLU A 69 -14.255 1.261 -3.317 1.00 0.00 C ATOM 1112 CG GLU A 69 -15.654 1.829 -3.491 1.00 0.00 C ATOM 1113 CD GLU A 69 -16.633 0.810 -4.041 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -16.744 0.702 -5.280 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -17.288 0.121 -3.231 1.00 0.00 O ATOM 0 H GLU A 69 -14.878 2.321 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.353 1.678 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.803 1.124 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.327 0.275 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.016 2.193 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.613 2.687 -4.162 1.00 0.00 H new ATOM 1122 N THR A 70 -14.046 4.449 -2.702 1.00 0.00 N ATOM 1123 CA THR A 70 -14.014 5.803 -3.240 1.00 0.00 C ATOM 1124 C THR A 70 -13.326 6.761 -2.275 1.00 0.00 C ATOM 1125 O THR A 70 -13.555 7.970 -2.317 1.00 0.00 O ATOM 1126 CB THR A 70 -15.433 6.323 -3.538 1.00 0.00 C ATOM 1127 OG1 THR A 70 -15.361 7.579 -4.221 1.00 0.00 O ATOM 1128 CG2 THR A 70 -16.232 6.483 -2.254 1.00 0.00 C ATOM 0 H THR A 70 -14.770 4.291 -2.001 1.00 0.00 H new ATOM 0 HA THR A 70 -13.448 5.760 -4.171 1.00 0.00 H new ATOM 0 HB THR A 70 -15.937 5.594 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.698 8.152 -3.783 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.230 6.851 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.310 5.519 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.729 7.194 -1.598 1.00 0.00 H new ATOM 1136 N ASP A 71 -12.481 6.215 -1.408 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.758 7.023 -0.433 1.00 0.00 C ATOM 1138 C ASP A 71 -10.408 7.467 -0.989 1.00 0.00 C ATOM 1139 O ASP A 71 -9.970 6.992 -2.037 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.555 6.236 0.863 1.00 0.00 C ATOM 1141 CG ASP A 71 -10.298 5.389 0.836 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -10.230 4.455 0.010 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -9.382 5.660 1.641 1.00 0.00 O ATOM 0 H ASP A 71 -12.280 5.216 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.354 7.911 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.504 6.930 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.419 5.593 1.033 1.00 0.00 H new ATOM 1148 N THR A 72 -9.754 8.382 -0.281 1.00 0.00 N ATOM 1149 CA THR A 72 -8.456 8.892 -0.704 1.00 0.00 C ATOM 1150 C THR A 72 -7.583 9.238 0.496 1.00 0.00 C ATOM 1151 O THR A 72 -8.069 9.448 1.608 1.00 0.00 O ATOM 1152 CB THR A 72 -8.606 10.141 -1.592 1.00 0.00 C ATOM 1153 OG1 THR A 72 -9.799 10.852 -1.241 1.00 0.00 O ATOM 1154 CG2 THR A 72 -8.653 9.757 -3.064 1.00 0.00 C ATOM 0 H THR A 72 -10.102 8.785 0.589 1.00 0.00 H new ATOM 0 HA THR A 72 -7.978 8.100 -1.281 1.00 0.00 H new ATOM 0 HB THR A 72 -7.740 10.782 -1.428 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.886 11.646 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.759 10.656 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.731 9.243 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.502 9.097 -3.241 1.00 0.00 H new ATOM 1162 N PRO A 73 -6.262 9.299 0.270 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.293 9.621 1.322 1.00 0.00 C ATOM 1164 C PRO A 73 -5.383 11.076 1.768 1.00 0.00 C ATOM 1165 O PRO A 73 -4.857 11.447 2.817 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.942 9.348 0.655 1.00 0.00 C ATOM 1167 CG PRO A 73 -4.199 9.517 -0.802 1.00 0.00 C ATOM 1168 CD PRO A 73 -5.613 9.060 -1.030 1.00 0.00 C ATOM 0 HA PRO A 73 -5.464 9.036 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.179 10.043 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.585 8.343 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.072 10.557 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.498 8.927 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.094 9.624 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.655 8.008 -1.313 1.00 0.00 H new ATOM 1176 N ALA A 74 -6.054 11.896 0.965 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.215 13.310 1.279 1.00 0.00 C ATOM 1178 C ALA A 74 -7.499 13.555 2.064 1.00 0.00 C ATOM 1179 O ALA A 74 -7.836 14.696 2.378 1.00 0.00 O ATOM 1180 CB ALA A 74 -6.207 14.138 0.003 1.00 0.00 C ATOM 0 H ALA A 74 -6.495 11.605 0.092 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.375 13.617 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.328 15.192 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.260 13.995 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.027 13.821 -0.641 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.212 12.477 2.376 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.460 12.577 3.122 1.00 0.00 C ATOM 1188 C GLN A 75 -9.427 11.687 4.360 1.00 0.00 C ATOM 1189 O GLN A 75 -10.388 11.639 5.129 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.643 12.191 2.233 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.939 12.895 2.603 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.141 12.325 1.877 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -13.305 12.523 0.673 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -13.991 11.613 2.608 1.00 0.00 N ATOM 0 H GLN A 75 -7.946 11.525 2.124 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.579 13.612 3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.398 12.421 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.795 11.113 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.097 12.815 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.850 13.957 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.816 11.474 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.819 11.205 2.174 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.317 10.982 4.546 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.158 10.092 5.691 1.00 0.00 C ATOM 1205 C LEU A 76 -6.879 10.414 6.458 1.00 0.00 C ATOM 1206 O LEU A 76 -6.569 9.773 7.461 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.136 8.634 5.229 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.500 7.969 5.040 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.335 6.547 4.528 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -10.284 7.980 6.345 1.00 0.00 C ATOM 0 H LEU A 76 -7.513 11.009 3.919 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.007 10.243 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.594 8.581 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.568 8.052 5.955 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.060 8.538 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.316 6.090 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.814 6.563 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.756 5.967 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.252 7.503 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.728 7.436 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.434 9.009 6.670 1.00 0.00 H new ATOM 1222 N GLU A 77 -6.143 11.412 5.979 1.00 0.00 N ATOM 1223 CA GLU A 77 -4.899 11.818 6.621 1.00 0.00 C ATOM 1224 C GLU A 77 -3.978 10.620 6.831 1.00 0.00 C ATOM 1225 O GLU A 77 -3.441 10.420 7.920 1.00 0.00 O ATOM 1226 CB GLU A 77 -5.189 12.494 7.963 1.00 0.00 C ATOM 1227 CG GLU A 77 -6.313 13.514 7.901 1.00 0.00 C ATOM 1228 CD GLU A 77 -6.490 14.268 9.205 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -6.888 13.636 10.206 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -6.231 15.489 9.223 1.00 0.00 O ATOM 0 H GLU A 77 -6.387 11.953 5.150 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.397 12.529 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.443 11.730 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.283 12.986 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.110 14.224 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.245 13.007 7.649 1.00 0.00 H new ATOM 1237 N MET A 78 -3.801 9.826 5.780 1.00 0.00 N ATOM 1238 CA MET A 78 -2.945 8.647 5.849 1.00 0.00 C ATOM 1239 C MET A 78 -1.567 8.942 5.266 1.00 0.00 C ATOM 1240 O MET A 78 -1.083 8.217 4.397 1.00 0.00 O ATOM 1241 CB MET A 78 -3.589 7.478 5.101 1.00 0.00 C ATOM 1242 CG MET A 78 -5.009 7.177 5.551 1.00 0.00 C ATOM 1243 SD MET A 78 -5.093 6.629 7.267 1.00 0.00 S ATOM 1244 CE MET A 78 -5.838 5.013 7.070 1.00 0.00 C ATOM 0 H MET A 78 -4.238 9.977 4.871 1.00 0.00 H new ATOM 0 HA MET A 78 -2.826 8.376 6.898 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.594 7.699 4.034 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.976 6.587 5.239 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.622 8.070 5.429 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.435 6.408 4.907 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.021 4.575 8.051 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.782 5.110 6.534 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.165 4.368 6.505 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.940 10.010 5.749 1.00 0.00 N ATOM 1255 CA GLU A 79 0.382 10.400 5.274 1.00 0.00 C ATOM 1256 C GLU A 79 1.412 10.311 6.396 1.00 0.00 C ATOM 1257 O GLU A 79 1.145 9.741 7.454 1.00 0.00 O ATOM 1258 CB GLU A 79 0.347 11.822 4.710 1.00 0.00 C ATOM 1259 CG GLU A 79 -0.997 12.208 4.116 1.00 0.00 C ATOM 1260 CD GLU A 79 -0.969 13.568 3.446 1.00 0.00 C ATOM 1261 OE1 GLU A 79 0.002 14.320 3.668 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -1.920 13.879 2.698 1.00 0.00 O ATOM 0 H GLU A 79 -1.326 10.620 6.469 1.00 0.00 H new ATOM 0 HA GLU A 79 0.673 9.710 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.599 12.525 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.115 11.919 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.298 11.455 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.751 12.210 4.903 1.00 0.00 H new ATOM 1269 N ASP A 80 2.589 10.878 6.157 1.00 0.00 N ATOM 1270 CA ASP A 80 3.660 10.864 7.147 1.00 0.00 C ATOM 1271 C ASP A 80 4.131 9.439 7.418 1.00 0.00 C ATOM 1272 O ASP A 80 4.236 9.019 8.570 1.00 0.00 O ATOM 1273 CB ASP A 80 3.189 11.515 8.448 1.00 0.00 C ATOM 1274 CG ASP A 80 2.276 12.701 8.205 1.00 0.00 C ATOM 1275 OD1 ASP A 80 2.503 13.432 7.217 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.335 12.898 9.001 1.00 0.00 O ATOM 0 H ASP A 80 2.826 11.353 5.286 1.00 0.00 H new ATOM 0 HA ASP A 80 4.498 11.434 6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.665 10.775 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.056 11.840 9.023 1.00 0.00 H new ATOM 1281 N GLU A 81 4.411 8.700 6.349 1.00 0.00 N ATOM 1282 CA GLU A 81 4.869 7.321 6.474 1.00 0.00 C ATOM 1283 C GLU A 81 3.808 6.454 7.146 1.00 0.00 C ATOM 1284 O GLU A 81 4.114 5.651 8.027 1.00 0.00 O ATOM 1285 CB GLU A 81 6.172 7.262 7.273 1.00 0.00 C ATOM 1286 CG GLU A 81 7.199 8.294 6.839 1.00 0.00 C ATOM 1287 CD GLU A 81 8.498 8.187 7.614 1.00 0.00 C ATOM 1288 OE1 GLU A 81 8.948 7.049 7.863 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.065 9.241 7.970 1.00 0.00 O ATOM 0 H GLU A 81 4.329 9.032 5.388 1.00 0.00 H new ATOM 0 HA GLU A 81 5.049 6.934 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.947 7.407 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.605 6.267 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.404 8.172 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.783 9.293 6.971 1.00 0.00 H new ATOM 1296 N ASP A 82 2.560 6.623 6.723 1.00 0.00 N ATOM 1297 CA ASP A 82 1.453 5.857 7.283 1.00 0.00 C ATOM 1298 C ASP A 82 1.591 4.376 6.945 1.00 0.00 C ATOM 1299 O ASP A 82 1.641 3.997 5.774 1.00 0.00 O ATOM 1300 CB ASP A 82 0.119 6.390 6.759 1.00 0.00 C ATOM 1301 CG ASP A 82 -0.958 6.408 7.826 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -0.838 7.210 8.775 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -1.919 5.618 7.713 1.00 0.00 O ATOM 0 H ASP A 82 2.290 7.284 5.994 1.00 0.00 H new ATOM 0 HA ASP A 82 1.479 5.968 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.261 7.400 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.212 5.773 5.923 1.00 0.00 H new ATOM 1308 N THR A 83 1.654 3.541 7.978 1.00 0.00 N ATOM 1309 CA THR A 83 1.788 2.102 7.790 1.00 0.00 C ATOM 1310 C THR A 83 0.432 1.409 7.858 1.00 0.00 C ATOM 1311 O THR A 83 -0.124 1.218 8.940 1.00 0.00 O ATOM 1312 CB THR A 83 2.722 1.483 8.848 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.861 2.327 9.050 1.00 0.00 O ATOM 1314 CG2 THR A 83 3.181 0.097 8.420 1.00 0.00 C ATOM 0 H THR A 83 1.614 3.837 8.953 1.00 0.00 H new ATOM 0 HA THR A 83 2.220 1.951 6.801 1.00 0.00 H new ATOM 0 HB THR A 83 2.167 1.392 9.782 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.449 1.927 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.839 -0.320 9.182 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.314 -0.551 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.720 0.168 7.475 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.094 1.035 6.697 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.385 0.361 6.626 1.00 0.00 C ATOM 1324 C ILE A 84 -1.221 -1.152 6.724 1.00 0.00 C ATOM 1325 O ILE A 84 -0.371 -1.739 6.055 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.127 0.703 5.321 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.146 2.217 5.101 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.544 0.149 5.356 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.761 2.628 3.781 1.00 0.00 C ATOM 0 H ILE A 84 0.353 1.187 5.793 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.974 0.715 7.472 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.598 0.241 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.701 2.687 5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.125 2.596 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.055 0.399 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.508 -0.934 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.084 0.585 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.741 3.714 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.193 2.187 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.793 2.279 3.736 1.00 0.00 H new ATOM 1341 N ASP A 85 -2.043 -1.777 7.560 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.992 -3.223 7.743 1.00 0.00 C ATOM 1343 C ASP A 85 -2.586 -3.945 6.538 1.00 0.00 C ATOM 1344 O ASP A 85 -3.683 -3.619 6.085 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.742 -3.624 9.014 1.00 0.00 C ATOM 1346 CG ASP A 85 -2.288 -4.965 9.556 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -1.064 -5.162 9.703 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -3.157 -5.819 9.832 1.00 0.00 O ATOM 0 H ASP A 85 -2.752 -1.305 8.121 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.946 -3.515 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.594 -2.859 9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.811 -3.663 8.804 1.00 0.00 H new ATOM 1353 N VAL A 86 -1.853 -4.927 6.022 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.306 -5.695 4.869 1.00 0.00 C ATOM 1355 C VAL A 86 -2.332 -7.187 5.179 1.00 0.00 C ATOM 1356 O VAL A 86 -1.807 -7.629 6.201 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.407 -5.451 3.643 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.230 -6.414 3.644 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.211 -5.581 2.358 1.00 0.00 C ATOM 0 H VAL A 86 -0.942 -5.209 6.385 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.317 -5.357 4.641 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.015 -4.435 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.394 -6.227 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.359 -6.267 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.599 -7.439 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.560 -5.405 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.633 -6.584 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.017 -4.847 2.357 1.00 0.00 H new ATOM 1369 N PHE A 87 -2.945 -7.960 4.288 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.039 -9.405 4.466 1.00 0.00 C ATOM 1371 C PHE A 87 -2.464 -10.140 3.259 1.00 0.00 C ATOM 1372 O PHE A 87 -3.091 -10.203 2.202 1.00 0.00 O ATOM 1373 CB PHE A 87 -4.496 -9.819 4.684 1.00 0.00 C ATOM 1374 CG PHE A 87 -4.648 -11.067 5.506 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -4.335 -12.306 4.972 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -5.103 -11.000 6.813 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -4.475 -13.456 5.727 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -5.245 -12.146 7.572 1.00 0.00 C ATOM 1379 CZ PHE A 87 -4.929 -13.375 7.029 1.00 0.00 C ATOM 0 H PHE A 87 -3.384 -7.610 3.436 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.456 -9.677 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.028 -9.004 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.971 -9.972 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.978 -12.375 3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.350 -10.041 7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.230 -14.417 5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.603 -12.080 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.037 -14.272 7.621 1.00 0.00 H new