USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 GLN : amide:sc=-0.000868 X(o=-2.7,f=-2.7) USER MOD Set 1.2: A 54 SER OG : rot -72:sc= -2.68! USER MOD Single : A 11 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.3!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 160:sc= -0.356 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.53! C(o=-1.5!,f=-4.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 48 GLN : amide:sc= -4.55! C(o=-4.6!,f=-6.8!) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -1.86 (180deg=-3.5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.0114 (180deg=-0.124) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N GLN A 11 3.406 11.951 -3.965 1.00 0.00 N ATOM 191 CA GLN A 11 3.432 12.291 -2.548 1.00 0.00 C ATOM 192 C GLN A 11 3.459 11.017 -1.716 1.00 0.00 C ATOM 193 O GLN A 11 4.188 10.917 -0.729 1.00 0.00 O ATOM 194 CB GLN A 11 2.210 13.135 -2.177 1.00 0.00 C ATOM 195 CG GLN A 11 2.186 14.500 -2.845 1.00 0.00 C ATOM 196 CD GLN A 11 1.530 15.559 -1.981 1.00 0.00 C ATOM 197 OE1 GLN A 11 1.078 15.279 -0.871 1.00 0.00 O ATOM 198 NE2 GLN A 11 1.475 16.785 -2.489 1.00 0.00 N ATOM 0 HA GLN A 11 4.329 12.874 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.306 12.590 -2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.186 13.269 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.206 14.806 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.653 14.428 -3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.863 16.972 -3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.045 17.540 -1.954 1.00 0.00 H new ATOM 207 N ILE A 12 2.689 10.031 -2.157 1.00 0.00 N ATOM 208 CA ILE A 12 2.640 8.739 -1.500 1.00 0.00 C ATOM 209 C ILE A 12 3.998 8.055 -1.565 1.00 0.00 C ATOM 210 O ILE A 12 4.474 7.493 -0.579 1.00 0.00 O ATOM 211 CB ILE A 12 1.591 7.818 -2.150 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.334 8.612 -2.537 1.00 0.00 C ATOM 213 CG2 ILE A 12 1.248 6.698 -1.202 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.873 7.749 -2.860 1.00 0.00 C ATOM 0 H ILE A 12 2.085 10.107 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 12 2.363 8.916 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 12 2.008 7.393 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.077 9.285 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.563 9.235 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.505 6.046 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.146 6.123 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.844 7.114 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.717 8.387 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.638 7.094 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.132 7.145 -1.990 1.00 0.00 H new ATOM 226 N MET A 13 4.622 8.122 -2.735 1.00 0.00 N ATOM 227 CA MET A 13 5.931 7.516 -2.949 1.00 0.00 C ATOM 228 C MET A 13 6.932 8.003 -1.912 1.00 0.00 C ATOM 229 O MET A 13 7.811 7.254 -1.485 1.00 0.00 O ATOM 230 CB MET A 13 6.426 7.830 -4.360 1.00 0.00 C ATOM 231 CG MET A 13 7.862 7.403 -4.624 1.00 0.00 C ATOM 232 SD MET A 13 8.855 8.720 -5.352 1.00 0.00 S ATOM 233 CE MET A 13 10.373 8.563 -4.413 1.00 0.00 C ATOM 0 H MET A 13 4.240 8.593 -3.555 1.00 0.00 H new ATOM 0 HA MET A 13 5.834 6.436 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.773 7.337 -5.080 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.340 8.903 -4.533 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.320 7.083 -3.688 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.864 6.541 -5.291 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.088 9.313 -4.750 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.163 8.712 -3.354 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.793 7.568 -4.563 1.00 0.00 H new ATOM 243 N MET A 14 6.782 9.250 -1.494 1.00 0.00 N ATOM 244 CA MET A 14 7.648 9.815 -0.476 1.00 0.00 C ATOM 245 C MET A 14 7.159 9.421 0.923 1.00 0.00 C ATOM 246 O MET A 14 7.902 9.523 1.899 1.00 0.00 O ATOM 247 CB MET A 14 7.701 11.341 -0.630 1.00 0.00 C ATOM 248 CG MET A 14 8.237 12.073 0.589 1.00 0.00 C ATOM 249 SD MET A 14 8.877 13.712 0.194 1.00 0.00 S ATOM 250 CE MET A 14 7.354 14.635 0.007 1.00 0.00 C ATOM 0 H MET A 14 6.068 9.889 -1.845 1.00 0.00 H new ATOM 0 HA MET A 14 8.655 9.417 -0.602 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.324 11.586 -1.490 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.698 11.708 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.442 12.167 1.329 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.029 11.479 1.045 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.585 15.671 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.758 14.196 -0.793 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.791 14.601 0.940 1.00 0.00 H new ATOM 260 N GLN A 15 5.906 8.968 1.010 1.00 0.00 N ATOM 261 CA GLN A 15 5.312 8.603 2.289 1.00 0.00 C ATOM 262 C GLN A 15 5.550 7.137 2.643 1.00 0.00 C ATOM 263 O GLN A 15 5.997 6.827 3.747 1.00 0.00 O ATOM 264 CB GLN A 15 3.805 8.855 2.223 1.00 0.00 C ATOM 265 CG GLN A 15 3.435 10.328 2.177 1.00 0.00 C ATOM 266 CD GLN A 15 3.011 10.865 3.530 1.00 0.00 C ATOM 267 OE1 GLN A 15 3.786 11.527 4.220 1.00 0.00 O ATOM 268 NE2 GLN A 15 1.773 10.582 3.918 1.00 0.00 N ATOM 0 H GLN A 15 5.287 8.847 0.208 1.00 0.00 H new ATOM 0 HA GLN A 15 5.784 9.212 3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.401 8.360 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.330 8.397 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.287 10.902 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.625 10.473 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.163 10.030 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.432 10.917 4.819 1.00 0.00 H new ATOM 277 N ILE A 16 5.290 6.244 1.691 1.00 0.00 N ATOM 278 CA ILE A 16 5.473 4.810 1.920 1.00 0.00 C ATOM 279 C ILE A 16 5.042 3.986 0.702 1.00 0.00 C ATOM 280 O ILE A 16 4.547 2.868 0.840 1.00 0.00 O ATOM 281 CB ILE A 16 4.688 4.337 3.164 1.00 0.00 C ATOM 282 CG1 ILE A 16 4.951 2.855 3.445 1.00 0.00 C ATOM 283 CG2 ILE A 16 3.203 4.592 2.975 1.00 0.00 C ATOM 284 CD1 ILE A 16 5.079 2.530 4.917 1.00 0.00 C ATOM 0 H ILE A 16 4.954 6.484 0.758 1.00 0.00 H new ATOM 0 HA ILE A 16 6.538 4.652 2.090 1.00 0.00 H new ATOM 0 HB ILE A 16 5.033 4.908 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.140 2.264 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.866 2.554 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.661 4.254 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.033 5.659 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.848 4.046 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.264 1.463 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.909 3.094 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.156 2.799 5.431 1.00 0.00 H new ATOM 296 N LEU A 17 5.205 4.546 -0.490 1.00 0.00 N ATOM 297 CA LEU A 17 4.834 3.839 -1.711 1.00 0.00 C ATOM 298 C LEU A 17 6.064 3.213 -2.355 1.00 0.00 C ATOM 299 O LEU A 17 7.081 3.878 -2.548 1.00 0.00 O ATOM 300 CB LEU A 17 4.170 4.794 -2.701 1.00 0.00 C ATOM 301 CG LEU A 17 2.834 4.345 -3.279 1.00 0.00 C ATOM 302 CD1 LEU A 17 2.435 5.264 -4.428 1.00 0.00 C ATOM 303 CD2 LEU A 17 2.907 2.898 -3.742 1.00 0.00 C ATOM 0 H LEU A 17 5.588 5.480 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 17 4.128 3.052 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.023 5.753 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.860 4.965 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 17 2.073 4.407 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.479 4.939 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.344 6.286 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.196 5.224 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.942 2.598 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.674 2.800 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.157 2.258 -2.896 1.00 0.00 H new ATOM 315 N THR A 18 5.957 1.941 -2.704 1.00 0.00 N ATOM 316 CA THR A 18 7.052 1.240 -3.355 1.00 0.00 C ATOM 317 C THR A 18 6.661 0.860 -4.777 1.00 0.00 C ATOM 318 O THR A 18 5.530 0.439 -5.023 1.00 0.00 O ATOM 319 CB THR A 18 7.430 -0.013 -2.561 1.00 0.00 C ATOM 320 OG1 THR A 18 6.340 -0.917 -2.502 1.00 0.00 O ATOM 321 CG2 THR A 18 7.860 0.285 -1.141 1.00 0.00 C ATOM 0 H THR A 18 5.124 1.373 -2.548 1.00 0.00 H new ATOM 0 HA THR A 18 7.916 1.904 -3.392 1.00 0.00 H new ATOM 0 HB THR A 18 8.275 -0.449 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.671 -1.815 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.114 -0.646 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.731 0.940 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.045 0.776 -0.610 1.00 0.00 H new ATOM 329 N PRO A 19 7.586 1.005 -5.739 1.00 0.00 N ATOM 330 CA PRO A 19 7.313 0.664 -7.133 1.00 0.00 C ATOM 331 C PRO A 19 6.655 -0.702 -7.242 1.00 0.00 C ATOM 332 O PRO A 19 5.832 -0.945 -8.126 1.00 0.00 O ATOM 333 CB PRO A 19 8.700 0.650 -7.772 1.00 0.00 C ATOM 334 CG PRO A 19 9.507 1.592 -6.943 1.00 0.00 C ATOM 335 CD PRO A 19 8.961 1.495 -5.542 1.00 0.00 C ATOM 0 HA PRO A 19 6.627 1.362 -7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.129 -0.352 -7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.660 0.972 -8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.564 1.325 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.427 2.611 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.547 0.809 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.974 2.462 -5.039 1.00 0.00 H new ATOM 343 N GLU A 20 7.016 -1.585 -6.319 1.00 0.00 N ATOM 344 CA GLU A 20 6.441 -2.919 -6.268 1.00 0.00 C ATOM 345 C GLU A 20 5.014 -2.873 -5.736 1.00 0.00 C ATOM 346 O GLU A 20 4.159 -3.638 -6.163 1.00 0.00 O ATOM 347 CB GLU A 20 7.294 -3.830 -5.384 1.00 0.00 C ATOM 348 CG GLU A 20 8.083 -4.870 -6.163 1.00 0.00 C ATOM 349 CD GLU A 20 9.578 -4.749 -5.943 1.00 0.00 C ATOM 350 OE1 GLU A 20 10.064 -3.612 -5.769 1.00 0.00 O ATOM 351 OE2 GLU A 20 10.265 -5.794 -5.944 1.00 0.00 O ATOM 0 H GLU A 20 7.708 -1.398 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 20 6.422 -3.319 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.987 -3.217 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.647 -4.338 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.755 -5.867 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.866 -4.765 -7.226 1.00 0.00 H new ATOM 358 N ALA A 21 4.763 -1.969 -4.795 1.00 0.00 N ATOM 359 CA ALA A 21 3.445 -1.858 -4.180 1.00 0.00 C ATOM 360 C ALA A 21 2.347 -1.712 -5.231 1.00 0.00 C ATOM 361 O ALA A 21 1.379 -2.477 -5.244 1.00 0.00 O ATOM 362 CB ALA A 21 3.415 -0.677 -3.217 1.00 0.00 C ATOM 0 H ALA A 21 5.452 -1.305 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 21 3.254 -2.777 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.427 -0.603 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.162 -0.824 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.634 0.242 -3.761 1.00 0.00 H new ATOM 368 N ARG A 22 2.526 -0.759 -6.138 1.00 0.00 N ATOM 369 CA ARG A 22 1.540 -0.504 -7.179 1.00 0.00 C ATOM 370 C ARG A 22 1.573 -1.586 -8.256 1.00 0.00 C ATOM 371 O ARG A 22 0.534 -2.124 -8.637 1.00 0.00 O ATOM 372 CB ARG A 22 1.781 0.871 -7.807 1.00 0.00 C ATOM 373 CG ARG A 22 1.497 2.031 -6.870 1.00 0.00 C ATOM 374 CD ARG A 22 0.512 3.013 -7.485 1.00 0.00 C ATOM 375 NE ARG A 22 -0.713 2.352 -7.928 1.00 0.00 N ATOM 376 CZ ARG A 22 -1.528 2.850 -8.852 1.00 0.00 C ATOM 377 NH1 ARG A 22 -1.252 4.011 -9.431 1.00 0.00 N ATOM 378 NH2 ARG A 22 -2.622 2.186 -9.199 1.00 0.00 N ATOM 0 H ARG A 22 3.344 -0.151 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 22 0.553 -0.521 -6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.817 0.931 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.154 0.970 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.096 1.652 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.428 2.547 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.265 3.784 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.980 3.514 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.957 1.457 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.411 4.525 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.880 4.390 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.838 1.293 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.247 2.569 -9.908 1.00 0.00 H new ATOM 392 N SER A 23 2.768 -1.895 -8.747 1.00 0.00 N ATOM 393 CA SER A 23 2.928 -2.899 -9.793 1.00 0.00 C ATOM 394 C SER A 23 2.514 -4.284 -9.305 1.00 0.00 C ATOM 395 O SER A 23 1.750 -4.982 -9.972 1.00 0.00 O ATOM 396 CB SER A 23 4.378 -2.929 -10.279 1.00 0.00 C ATOM 397 OG SER A 23 4.611 -4.043 -11.122 1.00 0.00 O ATOM 0 H SER A 23 3.640 -1.465 -8.438 1.00 0.00 H new ATOM 0 HA SER A 23 2.275 -2.624 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.603 -2.008 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.051 -2.970 -9.423 1.00 0.00 H new ATOM 0 HG SER A 23 5.545 -4.038 -11.420 1.00 0.00 H new ATOM 403 N ARG A 24 3.024 -4.683 -8.144 1.00 0.00 N ATOM 404 CA ARG A 24 2.704 -5.989 -7.580 1.00 0.00 C ATOM 405 C ARG A 24 1.198 -6.171 -7.463 1.00 0.00 C ATOM 406 O ARG A 24 0.654 -7.190 -7.890 1.00 0.00 O ATOM 407 CB ARG A 24 3.351 -6.161 -6.205 1.00 0.00 C ATOM 408 CG ARG A 24 3.119 -7.534 -5.596 1.00 0.00 C ATOM 409 CD ARG A 24 2.521 -7.433 -4.202 1.00 0.00 C ATOM 410 NE ARG A 24 2.644 -8.686 -3.460 1.00 0.00 N ATOM 411 CZ ARG A 24 3.779 -9.108 -2.911 1.00 0.00 C ATOM 412 NH1 ARG A 24 4.882 -8.381 -3.024 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.813 -10.257 -2.250 1.00 0.00 N ATOM 0 H ARG A 24 3.659 -4.122 -7.577 1.00 0.00 H new ATOM 0 HA ARG A 24 3.101 -6.748 -8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.423 -5.987 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.958 -5.401 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.452 -8.110 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.063 -8.076 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.019 -6.635 -3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.469 -7.159 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 24 1.813 -9.269 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.860 -7.497 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.752 -8.706 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.967 -10.820 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.685 -10.578 -1.830 1.00 0.00 H new ATOM 427 N LEU A 25 0.526 -5.184 -6.879 1.00 0.00 N ATOM 428 CA LEU A 25 -0.917 -5.262 -6.704 1.00 0.00 C ATOM 429 C LEU A 25 -1.605 -5.582 -8.023 1.00 0.00 C ATOM 430 O LEU A 25 -2.377 -6.535 -8.115 1.00 0.00 O ATOM 431 CB LEU A 25 -1.460 -3.944 -6.141 1.00 0.00 C ATOM 432 CG LEU A 25 -2.418 -4.081 -4.955 1.00 0.00 C ATOM 433 CD1 LEU A 25 -2.398 -2.819 -4.107 1.00 0.00 C ATOM 434 CD2 LEU A 25 -3.832 -4.370 -5.435 1.00 0.00 C ATOM 0 H LEU A 25 0.954 -4.329 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.128 -6.064 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.617 -3.325 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.974 -3.411 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.084 -4.919 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.085 -2.933 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.389 -2.650 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.706 -1.968 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.496 -4.464 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.174 -3.554 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.840 -5.300 -6.003 1.00 0.00 H new ATOM 446 N ALA A 26 -1.301 -4.791 -9.044 1.00 0.00 N ATOM 447 CA ALA A 26 -1.870 -5.001 -10.368 1.00 0.00 C ATOM 448 C ALA A 26 -1.566 -6.407 -10.867 1.00 0.00 C ATOM 449 O ALA A 26 -2.376 -7.029 -11.554 1.00 0.00 O ATOM 450 CB ALA A 26 -1.313 -3.972 -11.339 1.00 0.00 C ATOM 0 H ALA A 26 -0.663 -3.998 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.952 -4.885 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.743 -4.135 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.567 -2.970 -10.993 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.229 -4.073 -11.393 1.00 0.00 H new ATOM 456 N ASN A 27 -0.376 -6.882 -10.533 1.00 0.00 N ATOM 457 CA ASN A 27 0.079 -8.203 -10.942 1.00 0.00 C ATOM 458 C ASN A 27 -0.628 -9.312 -10.172 1.00 0.00 C ATOM 459 O ASN A 27 -1.043 -10.315 -10.753 1.00 0.00 O ATOM 460 CB ASN A 27 1.584 -8.313 -10.712 1.00 0.00 C ATOM 461 CG ASN A 27 2.144 -9.664 -11.120 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.545 -10.706 -10.851 1.00 0.00 O ATOM 463 ND2 ASN A 27 3.302 -9.653 -11.769 1.00 0.00 N ATOM 0 H ASN A 27 0.301 -6.364 -9.972 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.157 -8.324 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.091 -7.529 -11.275 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.800 -8.139 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.729 -10.531 -12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.765 -8.767 -11.972 1.00 0.00 H new ATOM 470 N LEU A 28 -0.702 -9.158 -8.855 1.00 0.00 N ATOM 471 CA LEU A 28 -1.289 -10.178 -7.997 1.00 0.00 C ATOM 472 C LEU A 28 -2.767 -10.411 -8.306 1.00 0.00 C ATOM 473 O LEU A 28 -3.302 -11.485 -8.046 1.00 0.00 O ATOM 474 CB LEU A 28 -1.107 -9.797 -6.532 1.00 0.00 C ATOM 475 CG LEU A 28 0.018 -10.539 -5.808 1.00 0.00 C ATOM 476 CD1 LEU A 28 -0.392 -11.976 -5.523 1.00 0.00 C ATOM 477 CD2 LEU A 28 1.298 -10.497 -6.629 1.00 0.00 C ATOM 0 H LEU A 28 -0.362 -8.335 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.767 -11.114 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.914 -8.726 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.043 -9.982 -6.005 1.00 0.00 H new ATOM 0 HG LEU A 28 0.206 -10.041 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.419 -12.490 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.283 -11.982 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.606 -12.486 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.088 -11.030 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.126 -10.971 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.599 -9.460 -6.782 1.00 0.00 H new ATOM 489 N ARG A 29 -3.429 -9.403 -8.849 1.00 0.00 N ATOM 490 CA ARG A 29 -4.853 -9.514 -9.167 1.00 0.00 C ATOM 491 C ARG A 29 -5.134 -10.772 -9.986 1.00 0.00 C ATOM 492 O ARG A 29 -6.234 -11.322 -9.938 1.00 0.00 O ATOM 493 CB ARG A 29 -5.333 -8.282 -9.945 1.00 0.00 C ATOM 494 CG ARG A 29 -4.709 -6.976 -9.482 1.00 0.00 C ATOM 495 CD ARG A 29 -5.430 -5.773 -10.064 1.00 0.00 C ATOM 496 NE ARG A 29 -5.154 -5.609 -11.489 1.00 0.00 N ATOM 497 CZ ARG A 29 -5.710 -4.667 -12.245 1.00 0.00 C ATOM 498 NH1 ARG A 29 -6.568 -3.808 -11.712 1.00 0.00 N ATOM 499 NH2 ARG A 29 -5.408 -4.582 -13.533 1.00 0.00 N ATOM 0 H ARG A 29 -3.011 -8.502 -9.080 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.397 -9.577 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.111 -8.424 -11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.417 -8.207 -9.854 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.736 -6.925 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.660 -6.949 -9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.504 -5.885 -9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.125 -4.873 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.497 -6.254 -11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.802 -3.869 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.994 -3.086 -12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.748 -5.240 -13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.836 -3.858 -14.111 1.00 0.00 H new ATOM 513 N LEU A 30 -4.142 -11.210 -10.755 1.00 0.00 N ATOM 514 CA LEU A 30 -4.301 -12.375 -11.620 1.00 0.00 C ATOM 515 C LEU A 30 -4.565 -13.661 -10.827 1.00 0.00 C ATOM 516 O LEU A 30 -5.061 -14.641 -11.386 1.00 0.00 O ATOM 517 CB LEU A 30 -3.068 -12.534 -12.529 1.00 0.00 C ATOM 518 CG LEU A 30 -1.969 -13.481 -12.028 1.00 0.00 C ATOM 519 CD1 LEU A 30 -0.890 -13.647 -13.087 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.371 -12.969 -10.727 1.00 0.00 C ATOM 0 H LEU A 30 -3.220 -10.776 -10.797 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.181 -12.204 -12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.405 -12.887 -13.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.627 -11.549 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.416 -14.456 -11.835 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.118 -14.321 -12.717 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.331 -14.062 -13.993 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.447 -12.676 -13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.594 -13.655 -10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.938 -11.982 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.151 -12.903 -9.969 1.00 0.00 H new ATOM 532 N THR A 31 -4.219 -13.677 -9.539 1.00 0.00 N ATOM 533 CA THR A 31 -4.436 -14.875 -8.726 1.00 0.00 C ATOM 534 C THR A 31 -5.751 -14.793 -7.953 1.00 0.00 C ATOM 535 O THR A 31 -6.774 -15.304 -8.408 1.00 0.00 O ATOM 536 CB THR A 31 -3.256 -15.140 -7.771 1.00 0.00 C ATOM 537 OG1 THR A 31 -3.705 -15.730 -6.562 1.00 0.00 O ATOM 538 CG2 THR A 31 -2.457 -13.910 -7.407 1.00 0.00 C ATOM 0 H THR A 31 -3.796 -12.892 -9.044 1.00 0.00 H new ATOM 0 HA THR A 31 -4.500 -15.719 -9.413 1.00 0.00 H new ATOM 0 HB THR A 31 -2.604 -15.812 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.939 -15.891 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.647 -14.189 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.040 -13.467 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.107 -13.187 -6.915 1.00 0.00 H new ATOM 546 N ARG A 32 -5.722 -14.175 -6.774 1.00 0.00 N ATOM 547 CA ARG A 32 -6.923 -14.088 -5.946 1.00 0.00 C ATOM 548 C ARG A 32 -7.607 -12.729 -6.080 1.00 0.00 C ATOM 549 O ARG A 32 -6.979 -11.690 -5.879 1.00 0.00 O ATOM 550 CB ARG A 32 -6.575 -14.313 -4.470 1.00 0.00 C ATOM 551 CG ARG A 32 -5.360 -15.201 -4.246 1.00 0.00 C ATOM 552 CD ARG A 32 -5.221 -15.600 -2.786 1.00 0.00 C ATOM 553 NE ARG A 32 -4.420 -16.809 -2.625 1.00 0.00 N ATOM 554 CZ ARG A 32 -4.856 -18.025 -2.932 1.00 0.00 C ATOM 555 NH1 ARG A 32 -6.082 -18.191 -3.410 1.00 0.00 N ATOM 556 NH2 ARG A 32 -4.068 -19.077 -2.760 1.00 0.00 N ATOM 0 H ARG A 32 -4.894 -13.733 -6.375 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.605 -14.863 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.397 -13.347 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.434 -14.759 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.444 -16.096 -4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.461 -14.676 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.761 -14.784 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.210 -15.761 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.474 -16.715 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.691 -17.384 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.415 -19.126 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.125 -18.953 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.405 -20.010 -2.996 1.00 0.00 H new ATOM 570 N PRO A 33 -8.921 -12.718 -6.366 1.00 0.00 N ATOM 571 CA PRO A 33 -9.702 -11.484 -6.429 1.00 0.00 C ATOM 572 C PRO A 33 -9.966 -10.909 -5.040 1.00 0.00 C ATOM 573 O PRO A 33 -10.245 -9.719 -4.890 1.00 0.00 O ATOM 574 CB PRO A 33 -11.008 -11.929 -7.083 1.00 0.00 C ATOM 575 CG PRO A 33 -11.161 -13.351 -6.669 1.00 0.00 C ATOM 576 CD PRO A 33 -9.768 -13.911 -6.574 1.00 0.00 C ATOM 0 HA PRO A 33 -9.188 -10.694 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.849 -11.324 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.962 -11.833 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.677 -13.425 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.755 -13.906 -7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.676 -14.616 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.489 -14.446 -7.482 1.00 0.00 H new ATOM 584 N ASP A 34 -9.934 -11.782 -4.032 1.00 0.00 N ATOM 585 CA ASP A 34 -10.188 -11.374 -2.654 1.00 0.00 C ATOM 586 C ASP A 34 -9.246 -10.262 -2.242 1.00 0.00 C ATOM 587 O ASP A 34 -9.664 -9.232 -1.715 1.00 0.00 O ATOM 588 CB ASP A 34 -10.010 -12.560 -1.703 1.00 0.00 C ATOM 589 CG ASP A 34 -10.824 -13.768 -2.120 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.974 -13.584 -2.569 1.00 0.00 O ATOM 591 OD2 ASP A 34 -10.311 -14.901 -1.994 1.00 0.00 O ATOM 0 H ASP A 34 -9.734 -12.776 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.215 -11.014 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.956 -12.833 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.301 -12.260 -0.696 1.00 0.00 H new ATOM 596 N PHE A 35 -7.968 -10.491 -2.484 1.00 0.00 N ATOM 597 CA PHE A 35 -6.941 -9.532 -2.136 1.00 0.00 C ATOM 598 C PHE A 35 -7.271 -8.156 -2.728 1.00 0.00 C ATOM 599 O PHE A 35 -7.318 -7.155 -2.016 1.00 0.00 O ATOM 600 CB PHE A 35 -5.574 -10.064 -2.623 1.00 0.00 C ATOM 601 CG PHE A 35 -4.795 -9.124 -3.505 1.00 0.00 C ATOM 602 CD1 PHE A 35 -4.368 -7.906 -3.014 1.00 0.00 C ATOM 603 CD2 PHE A 35 -4.564 -9.426 -4.833 1.00 0.00 C ATOM 604 CE1 PHE A 35 -3.681 -7.022 -3.816 1.00 0.00 C ATOM 605 CE2 PHE A 35 -3.880 -8.544 -5.645 1.00 0.00 C ATOM 606 CZ PHE A 35 -3.435 -7.343 -5.135 1.00 0.00 C ATOM 0 H PHE A 35 -7.617 -11.341 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.895 -9.406 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.966 -10.306 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.737 -10.995 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.576 -7.643 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.922 -10.360 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.336 -6.081 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.694 -8.794 -6.679 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.894 -6.654 -5.767 1.00 0.00 H new ATOM 616 N VAL A 36 -7.485 -8.122 -4.039 1.00 0.00 N ATOM 617 CA VAL A 36 -7.768 -6.871 -4.734 1.00 0.00 C ATOM 618 C VAL A 36 -8.984 -6.167 -4.147 1.00 0.00 C ATOM 619 O VAL A 36 -8.931 -4.984 -3.833 1.00 0.00 O ATOM 620 CB VAL A 36 -8.006 -7.081 -6.245 1.00 0.00 C ATOM 621 CG1 VAL A 36 -7.812 -5.773 -6.996 1.00 0.00 C ATOM 622 CG2 VAL A 36 -7.090 -8.158 -6.805 1.00 0.00 C ATOM 0 H VAL A 36 -7.468 -8.945 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.882 -6.251 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.034 -7.416 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.983 -5.936 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.519 -5.032 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.795 -5.413 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.283 -8.281 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.051 -7.865 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.279 -9.100 -6.291 1.00 0.00 H new ATOM 632 N GLU A 37 -10.086 -6.893 -4.019 1.00 0.00 N ATOM 633 CA GLU A 37 -11.324 -6.309 -3.519 1.00 0.00 C ATOM 634 C GLU A 37 -11.130 -5.651 -2.155 1.00 0.00 C ATOM 635 O GLU A 37 -11.483 -4.486 -1.965 1.00 0.00 O ATOM 636 CB GLU A 37 -12.415 -7.373 -3.425 1.00 0.00 C ATOM 637 CG GLU A 37 -13.816 -6.789 -3.431 1.00 0.00 C ATOM 638 CD GLU A 37 -14.717 -7.422 -2.388 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.486 -7.187 -1.183 1.00 0.00 O ATOM 640 OE2 GLU A 37 -15.654 -8.151 -2.777 1.00 0.00 O ATOM 0 H GLU A 37 -10.149 -7.884 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.627 -5.538 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.312 -8.065 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.273 -7.952 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.759 -5.715 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.258 -6.925 -4.418 1.00 0.00 H new ATOM 647 N GLN A 38 -10.567 -6.395 -1.211 1.00 0.00 N ATOM 648 CA GLN A 38 -10.347 -5.878 0.132 1.00 0.00 C ATOM 649 C GLN A 38 -9.257 -4.814 0.131 1.00 0.00 C ATOM 650 O GLN A 38 -9.447 -3.711 0.645 1.00 0.00 O ATOM 651 CB GLN A 38 -9.969 -7.018 1.078 1.00 0.00 C ATOM 652 CG GLN A 38 -9.810 -6.580 2.523 1.00 0.00 C ATOM 653 CD GLN A 38 -10.801 -7.257 3.450 1.00 0.00 C ATOM 654 OE1 GLN A 38 -10.865 -8.485 3.520 1.00 0.00 O ATOM 655 NE2 GLN A 38 -11.581 -6.458 4.169 1.00 0.00 N ATOM 0 H GLN A 38 -10.255 -7.356 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.273 -5.419 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.734 -7.793 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.036 -7.467 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.796 -6.802 2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.938 -5.499 2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.494 -5.446 4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.267 -6.857 4.810 1.00 0.00 H new ATOM 664 N ILE A 39 -8.119 -5.150 -0.463 1.00 0.00 N ATOM 665 CA ILE A 39 -6.994 -4.231 -0.535 1.00 0.00 C ATOM 666 C ILE A 39 -7.371 -2.957 -1.292 1.00 0.00 C ATOM 667 O ILE A 39 -7.097 -1.855 -0.828 1.00 0.00 O ATOM 668 CB ILE A 39 -5.769 -4.911 -1.191 1.00 0.00 C ATOM 669 CG1 ILE A 39 -5.270 -6.035 -0.256 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.671 -3.890 -1.508 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.766 -6.244 -0.222 1.00 0.00 C ATOM 0 H ILE A 39 -7.952 -6.055 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.727 -3.952 0.484 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.057 -5.350 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.611 -5.819 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.742 -6.970 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.824 -4.398 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.060 -3.139 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.347 -3.406 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.527 -7.056 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.411 -6.498 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.279 -5.329 0.114 1.00 0.00 H new ATOM 683 N GLU A 40 -8.011 -3.109 -2.444 1.00 0.00 N ATOM 684 CA GLU A 40 -8.401 -1.957 -3.248 1.00 0.00 C ATOM 685 C GLU A 40 -9.209 -0.960 -2.424 1.00 0.00 C ATOM 686 O GLU A 40 -8.864 0.219 -2.357 1.00 0.00 O ATOM 687 CB GLU A 40 -9.209 -2.394 -4.471 1.00 0.00 C ATOM 688 CG GLU A 40 -8.368 -3.039 -5.561 1.00 0.00 C ATOM 689 CD GLU A 40 -7.837 -2.033 -6.563 1.00 0.00 C ATOM 690 OE1 GLU A 40 -7.167 -1.069 -6.138 1.00 0.00 O ATOM 691 OE2 GLU A 40 -8.089 -2.210 -7.774 1.00 0.00 O ATOM 0 H GLU A 40 -8.270 -4.012 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.487 -1.469 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.979 -3.098 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.722 -1.526 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.531 -3.567 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.968 -3.784 -6.084 1.00 0.00 H new ATOM 698 N LEU A 41 -10.271 -1.439 -1.781 1.00 0.00 N ATOM 699 CA LEU A 41 -11.126 -0.570 -0.975 1.00 0.00 C ATOM 700 C LEU A 41 -10.310 0.257 0.020 1.00 0.00 C ATOM 701 O LEU A 41 -10.410 1.485 0.053 1.00 0.00 O ATOM 702 CB LEU A 41 -12.168 -1.403 -0.229 1.00 0.00 C ATOM 703 CG LEU A 41 -13.345 -0.609 0.341 1.00 0.00 C ATOM 704 CD1 LEU A 41 -14.466 -1.547 0.761 1.00 0.00 C ATOM 705 CD2 LEU A 41 -12.891 0.246 1.515 1.00 0.00 C ATOM 0 H LEU A 41 -10.559 -2.417 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.629 0.120 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.557 -2.163 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.674 -1.928 0.588 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.726 0.052 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.295 -0.966 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.808 -2.115 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.099 -2.233 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.740 0.804 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.485 -0.396 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.122 0.943 1.182 1.00 0.00 H new ATOM 717 N GLN A 42 -9.487 -0.417 0.817 1.00 0.00 N ATOM 718 CA GLN A 42 -8.669 0.261 1.816 1.00 0.00 C ATOM 719 C GLN A 42 -7.526 1.036 1.165 1.00 0.00 C ATOM 720 O GLN A 42 -7.184 2.137 1.596 1.00 0.00 O ATOM 721 CB GLN A 42 -8.105 -0.755 2.812 1.00 0.00 C ATOM 722 CG GLN A 42 -8.621 -0.568 4.227 1.00 0.00 C ATOM 723 CD GLN A 42 -9.675 -1.589 4.605 1.00 0.00 C ATOM 724 OE1 GLN A 42 -9.357 -2.686 5.067 1.00 0.00 O ATOM 725 NE2 GLN A 42 -10.939 -1.233 4.413 1.00 0.00 N ATOM 0 H GLN A 42 -9.369 -1.430 0.791 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.306 0.972 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.354 -1.761 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.018 -0.681 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.787 -0.637 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.039 0.434 4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.157 -0.314 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.692 -1.878 4.651 1.00 0.00 H new ATOM 734 N LEU A 43 -6.937 0.447 0.133 1.00 0.00 N ATOM 735 CA LEU A 43 -5.821 1.066 -0.570 1.00 0.00 C ATOM 736 C LEU A 43 -6.254 2.348 -1.275 1.00 0.00 C ATOM 737 O LEU A 43 -5.630 3.396 -1.111 1.00 0.00 O ATOM 738 CB LEU A 43 -5.227 0.083 -1.582 1.00 0.00 C ATOM 739 CG LEU A 43 -3.830 0.439 -2.089 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.909 1.555 -3.120 1.00 0.00 C ATOM 741 CD2 LEU A 43 -2.931 0.835 -0.928 1.00 0.00 C ATOM 0 H LEU A 43 -7.215 -0.462 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.061 1.327 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.190 -0.906 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.900 0.014 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.398 -0.438 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.906 1.797 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.520 1.230 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.358 2.439 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.939 1.086 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.355 1.700 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.853 0.003 -0.228 1.00 0.00 H new ATOM 753 N ILE A 44 -7.327 2.262 -2.056 1.00 0.00 N ATOM 754 CA ILE A 44 -7.833 3.425 -2.778 1.00 0.00 C ATOM 755 C ILE A 44 -8.183 4.554 -1.816 1.00 0.00 C ATOM 756 O ILE A 44 -7.918 5.724 -2.091 1.00 0.00 O ATOM 757 CB ILE A 44 -9.077 3.078 -3.627 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.402 4.232 -4.580 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.275 2.771 -2.735 1.00 0.00 C ATOM 760 CD1 ILE A 44 -10.716 4.061 -5.313 1.00 0.00 C ATOM 0 H ILE A 44 -7.860 1.405 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.036 3.750 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.856 2.187 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.430 5.163 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.598 4.327 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.138 2.530 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.042 1.922 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.503 3.641 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.880 4.915 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.685 3.148 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.530 3.997 -4.591 1.00 0.00 H new ATOM 772 N GLN A 45 -8.785 4.192 -0.688 1.00 0.00 N ATOM 773 CA GLN A 45 -9.192 5.173 0.307 1.00 0.00 C ATOM 774 C GLN A 45 -7.991 5.898 0.905 1.00 0.00 C ATOM 775 O GLN A 45 -8.044 7.102 1.148 1.00 0.00 O ATOM 776 CB GLN A 45 -9.990 4.490 1.416 1.00 0.00 C ATOM 777 CG GLN A 45 -11.198 5.289 1.876 1.00 0.00 C ATOM 778 CD GLN A 45 -12.002 4.570 2.939 1.00 0.00 C ATOM 779 OE1 GLN A 45 -13.208 4.366 2.791 1.00 0.00 O ATOM 780 NE2 GLN A 45 -11.338 4.180 4.021 1.00 0.00 N ATOM 0 H GLN A 45 -9.001 3.226 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.817 5.914 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.323 3.514 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.334 4.315 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.865 6.251 2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.839 5.497 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.339 4.370 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.827 3.691 4.771 1.00 0.00 H new ATOM 789 N LEU A 46 -6.914 5.161 1.152 1.00 0.00 N ATOM 790 CA LEU A 46 -5.720 5.741 1.760 1.00 0.00 C ATOM 791 C LEU A 46 -5.057 6.761 0.839 1.00 0.00 C ATOM 792 O LEU A 46 -4.811 7.900 1.236 1.00 0.00 O ATOM 793 CB LEU A 46 -4.717 4.642 2.116 1.00 0.00 C ATOM 794 CG LEU A 46 -4.812 4.118 3.551 1.00 0.00 C ATOM 795 CD1 LEU A 46 -6.230 3.664 3.864 1.00 0.00 C ATOM 796 CD2 LEU A 46 -3.826 2.980 3.768 1.00 0.00 C ATOM 0 H LEU A 46 -6.842 4.165 0.942 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.034 6.256 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.858 3.807 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.709 5.023 1.951 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.556 4.931 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.276 3.295 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.915 4.504 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.517 2.867 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.907 2.619 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.052 2.167 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.812 3.338 3.588 1.00 0.00 H new ATOM 808 N ALA A 47 -4.774 6.349 -0.391 1.00 0.00 N ATOM 809 CA ALA A 47 -4.118 7.224 -1.355 1.00 0.00 C ATOM 810 C ALA A 47 -5.069 8.295 -1.878 1.00 0.00 C ATOM 811 O ALA A 47 -4.754 9.485 -1.855 1.00 0.00 O ATOM 812 CB ALA A 47 -3.561 6.405 -2.509 1.00 0.00 C ATOM 0 H ALA A 47 -4.988 5.416 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.298 7.730 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.073 7.068 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.836 5.686 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.374 5.874 -3.004 1.00 0.00 H new ATOM 818 N GLN A 48 -6.225 7.864 -2.370 1.00 0.00 N ATOM 819 CA GLN A 48 -7.207 8.782 -2.932 1.00 0.00 C ATOM 820 C GLN A 48 -7.933 9.570 -1.845 1.00 0.00 C ATOM 821 O GLN A 48 -8.262 10.741 -2.034 1.00 0.00 O ATOM 822 CB GLN A 48 -8.223 8.010 -3.778 1.00 0.00 C ATOM 823 CG GLN A 48 -7.586 7.019 -4.740 1.00 0.00 C ATOM 824 CD GLN A 48 -8.491 6.675 -5.908 1.00 0.00 C ATOM 825 OE1 GLN A 48 -9.702 6.894 -5.856 1.00 0.00 O ATOM 826 NE2 GLN A 48 -7.907 6.136 -6.972 1.00 0.00 N ATOM 0 H GLN A 48 -6.505 6.883 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.671 9.494 -3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.903 7.475 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.824 8.720 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.652 7.435 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.333 6.106 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.900 5.972 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.465 5.886 -7.788 1.00 0.00 H new ATOM 899 N ARG A 53 -2.481 9.504 4.410 1.00 0.00 N ATOM 900 CA ARG A 53 -2.703 8.093 4.117 1.00 0.00 C ATOM 901 C ARG A 53 -2.055 7.701 2.792 1.00 0.00 C ATOM 902 O ARG A 53 -2.452 8.175 1.728 1.00 0.00 O ATOM 903 CB ARG A 53 -4.201 7.794 4.074 1.00 0.00 C ATOM 904 CG ARG A 53 -4.728 7.138 5.339 1.00 0.00 C ATOM 905 CD ARG A 53 -5.191 8.172 6.351 1.00 0.00 C ATOM 906 NE ARG A 53 -6.470 7.812 6.958 1.00 0.00 N ATOM 907 CZ ARG A 53 -6.616 6.823 7.833 1.00 0.00 C ATOM 908 NH1 ARG A 53 -5.567 6.098 8.198 1.00 0.00 N ATOM 909 NH2 ARG A 53 -7.811 6.556 8.343 1.00 0.00 N ATOM 0 HA ARG A 53 -2.242 7.505 4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.744 8.724 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.409 7.144 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.557 6.476 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.948 6.519 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.437 8.278 7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.282 9.142 5.862 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.296 8.349 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.647 6.299 7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.681 5.339 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.620 7.110 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.921 5.796 9.015 1.00 0.00 H new ATOM 923 N SER A 54 -1.053 6.834 2.870 1.00 0.00 N ATOM 924 CA SER A 54 -0.339 6.369 1.686 1.00 0.00 C ATOM 925 C SER A 54 -0.444 4.850 1.547 1.00 0.00 C ATOM 926 O SER A 54 -0.658 4.138 2.528 1.00 0.00 O ATOM 927 CB SER A 54 1.129 6.810 1.713 1.00 0.00 C ATOM 928 OG SER A 54 1.527 7.187 3.019 1.00 0.00 O ATOM 0 H SER A 54 -0.714 6.436 3.746 1.00 0.00 H new ATOM 0 HA SER A 54 -0.810 6.825 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.762 5.997 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.272 7.648 1.030 1.00 0.00 H new ATOM 0 HG SER A 54 1.113 8.044 3.253 1.00 0.00 H new ATOM 934 N LYS A 55 -0.285 4.366 0.320 1.00 0.00 N ATOM 935 CA LYS A 55 -0.427 2.949 0.016 1.00 0.00 C ATOM 936 C LYS A 55 0.440 2.079 0.908 1.00 0.00 C ATOM 937 O LYS A 55 1.579 2.424 1.223 1.00 0.00 O ATOM 938 CB LYS A 55 0.039 2.684 -1.415 1.00 0.00 C ATOM 939 CG LYS A 55 -0.967 3.005 -2.501 1.00 0.00 C ATOM 940 CD LYS A 55 -0.557 2.370 -3.825 1.00 0.00 C ATOM 941 CE LYS A 55 -0.335 0.869 -3.684 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.782 0.124 -4.892 1.00 0.00 N ATOM 0 H LYS A 55 -0.055 4.944 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.478 2.704 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.942 3.266 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.315 1.633 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.952 2.642 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.047 4.085 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.329 2.555 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.357 2.841 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.723 0.674 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.876 0.503 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.214 -0.741 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.785 -0.131 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.660 0.722 -5.734 1.00 0.00 H new ATOM 956 N ILE A 56 -0.094 0.917 1.257 1.00 0.00 N ATOM 957 CA ILE A 56 0.651 -0.074 2.012 1.00 0.00 C ATOM 958 C ILE A 56 1.677 -0.724 1.073 1.00 0.00 C ATOM 959 O ILE A 56 1.377 -0.995 -0.089 1.00 0.00 O ATOM 960 CB ILE A 56 -0.324 -1.109 2.657 1.00 0.00 C ATOM 961 CG1 ILE A 56 -0.585 -0.726 4.116 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.175 -2.550 2.581 1.00 0.00 C ATOM 963 CD1 ILE A 56 -1.734 -1.482 4.745 1.00 0.00 C ATOM 0 H ILE A 56 -1.048 0.638 1.026 1.00 0.00 H new ATOM 0 HA ILE A 56 1.190 0.390 2.838 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.247 -1.073 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.319 -0.907 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.791 0.343 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.553 -3.212 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.307 -2.835 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.128 -2.633 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.860 -1.159 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.649 -1.282 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.522 -2.551 4.723 1.00 0.00 H new ATOM 975 N THR A 57 2.892 -0.930 1.567 1.00 0.00 N ATOM 976 CA THR A 57 3.966 -1.469 0.738 1.00 0.00 C ATOM 977 C THR A 57 3.801 -2.966 0.506 1.00 0.00 C ATOM 978 O THR A 57 3.001 -3.623 1.165 1.00 0.00 O ATOM 979 CB THR A 57 5.325 -1.190 1.383 1.00 0.00 C ATOM 980 OG1 THR A 57 5.641 -2.191 2.335 1.00 0.00 O ATOM 981 CG2 THR A 57 5.394 0.150 2.084 1.00 0.00 C ATOM 0 H THR A 57 3.158 -0.734 2.532 1.00 0.00 H new ATOM 0 HA THR A 57 3.915 -0.971 -0.230 1.00 0.00 H new ATOM 0 HB THR A 57 6.040 -1.186 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.514 -1.997 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.385 0.283 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.203 0.947 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.644 0.187 2.874 1.00 0.00 H new ATOM 989 N ASP A 58 4.568 -3.494 -0.445 1.00 0.00 N ATOM 990 CA ASP A 58 4.504 -4.911 -0.789 1.00 0.00 C ATOM 991 C ASP A 58 4.642 -5.782 0.452 1.00 0.00 C ATOM 992 O ASP A 58 4.166 -6.917 0.483 1.00 0.00 O ATOM 993 CB ASP A 58 5.602 -5.261 -1.794 1.00 0.00 C ATOM 994 CG ASP A 58 6.950 -4.690 -1.401 1.00 0.00 C ATOM 995 OD1 ASP A 58 7.671 -5.351 -0.625 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.285 -3.581 -1.870 1.00 0.00 O ATOM 0 H ASP A 58 5.243 -2.959 -0.992 1.00 0.00 H new ATOM 0 HA ASP A 58 3.530 -5.105 -1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.681 -6.345 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.324 -4.883 -2.778 1.00 0.00 H new ATOM 1001 N GLU A 59 5.295 -5.245 1.476 1.00 0.00 N ATOM 1002 CA GLU A 59 5.488 -5.974 2.723 1.00 0.00 C ATOM 1003 C GLU A 59 4.177 -6.080 3.490 1.00 0.00 C ATOM 1004 O GLU A 59 3.742 -7.175 3.845 1.00 0.00 O ATOM 1005 CB GLU A 59 6.542 -5.266 3.577 1.00 0.00 C ATOM 1006 CG GLU A 59 6.693 -5.838 4.981 1.00 0.00 C ATOM 1007 CD GLU A 59 7.775 -6.898 5.065 1.00 0.00 C ATOM 1008 OE1 GLU A 59 8.936 -6.589 4.727 1.00 0.00 O ATOM 1009 OE2 GLU A 59 7.459 -8.037 5.470 1.00 0.00 O ATOM 0 H GLU A 59 5.699 -4.309 1.467 1.00 0.00 H new ATOM 0 HA GLU A 59 5.832 -6.982 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.504 -5.323 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.283 -4.210 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.926 -5.031 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.743 -6.268 5.299 1.00 0.00 H new ATOM 1016 N GLN A 60 3.536 -4.939 3.722 1.00 0.00 N ATOM 1017 CA GLN A 60 2.254 -4.920 4.410 1.00 0.00 C ATOM 1018 C GLN A 60 1.168 -5.447 3.477 1.00 0.00 C ATOM 1019 O GLN A 60 0.201 -6.071 3.916 1.00 0.00 O ATOM 1020 CB GLN A 60 1.923 -3.510 4.901 1.00 0.00 C ATOM 1021 CG GLN A 60 2.541 -3.182 6.250 1.00 0.00 C ATOM 1022 CD GLN A 60 3.303 -1.872 6.239 1.00 0.00 C ATOM 1023 OE1 GLN A 60 2.759 -0.820 6.577 1.00 0.00 O ATOM 1024 NE2 GLN A 60 4.572 -1.927 5.848 1.00 0.00 N ATOM 0 H GLN A 60 3.883 -4.021 3.445 1.00 0.00 H new ATOM 0 HA GLN A 60 2.308 -5.567 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.270 -2.786 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.841 -3.401 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.755 -3.134 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.215 -3.987 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.984 -2.820 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.134 -1.076 5.820 1.00 0.00 H new ATOM 1033 N LEU A 61 1.370 -5.234 2.177 1.00 0.00 N ATOM 1034 CA LEU A 61 0.468 -5.756 1.158 1.00 0.00 C ATOM 1035 C LEU A 61 0.560 -7.276 1.136 1.00 0.00 C ATOM 1036 O LEU A 61 -0.450 -7.977 1.069 1.00 0.00 O ATOM 1037 CB LEU A 61 0.849 -5.204 -0.225 1.00 0.00 C ATOM 1038 CG LEU A 61 0.105 -3.946 -0.683 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.387 -3.681 -2.155 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.390 -4.081 -0.443 1.00 0.00 C ATOM 0 H LEU A 61 2.156 -4.700 1.806 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.550 -5.448 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.917 -4.988 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.682 -5.988 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 61 0.464 -3.100 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.146 -2.785 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.458 -3.537 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.052 -4.532 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.895 -3.175 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.772 -4.936 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.576 -4.229 0.621 1.00 0.00 H new ATOM 1052 N LYS A 62 1.794 -7.773 1.207 1.00 0.00 N ATOM 1053 CA LYS A 62 2.053 -9.206 1.226 1.00 0.00 C ATOM 1054 C LYS A 62 1.330 -9.859 2.396 1.00 0.00 C ATOM 1055 O LYS A 62 0.645 -10.869 2.234 1.00 0.00 O ATOM 1056 CB LYS A 62 3.557 -9.462 1.335 1.00 0.00 C ATOM 1057 CG LYS A 62 3.918 -10.926 1.513 1.00 0.00 C ATOM 1058 CD LYS A 62 3.876 -11.341 2.974 1.00 0.00 C ATOM 1059 CE LYS A 62 5.274 -11.519 3.540 1.00 0.00 C ATOM 1060 NZ LYS A 62 5.960 -12.710 2.964 1.00 0.00 N ATOM 0 H LYS A 62 2.634 -7.196 1.253 1.00 0.00 H new ATOM 0 HA LYS A 62 1.682 -9.641 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.047 -9.083 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.953 -8.895 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.227 -11.544 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.915 -11.106 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.341 -10.588 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.320 -12.273 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.865 -10.626 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.216 -11.622 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.739 -12.998 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.281 -13.492 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.340 -12.472 2.026 1.00 0.00 H new ATOM 1074 N GLU A 63 1.486 -9.269 3.576 1.00 0.00 N ATOM 1075 CA GLU A 63 0.813 -9.759 4.768 1.00 0.00 C ATOM 1076 C GLU A 63 -0.693 -9.681 4.574 1.00 0.00 C ATOM 1077 O GLU A 63 -1.443 -10.522 5.070 1.00 0.00 O ATOM 1078 CB GLU A 63 1.224 -8.947 5.992 1.00 0.00 C ATOM 1079 CG GLU A 63 2.666 -8.470 5.959 1.00 0.00 C ATOM 1080 CD GLU A 63 3.396 -8.717 7.264 1.00 0.00 C ATOM 1081 OE1 GLU A 63 3.056 -8.059 8.270 1.00 0.00 O ATOM 1082 OE2 GLU A 63 4.313 -9.567 7.280 1.00 0.00 O ATOM 0 H GLU A 63 2.074 -8.450 3.730 1.00 0.00 H new ATOM 0 HA GLU A 63 1.104 -10.797 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.567 -8.081 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.072 -9.553 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.193 -8.977 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.686 -7.404 5.733 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.123 -8.655 3.848 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.534 -8.461 3.558 1.00 0.00 C ATOM 1091 C LEU A 64 -3.039 -9.557 2.629 1.00 0.00 C ATOM 1092 O LEU A 64 -4.175 -10.013 2.747 1.00 0.00 O ATOM 1093 CB LEU A 64 -2.758 -7.093 2.919 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.968 -6.326 3.455 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.845 -4.845 3.129 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.260 -6.903 2.890 1.00 0.00 C ATOM 0 H LEU A 64 -0.510 -7.944 3.449 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.090 -8.510 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.865 -6.486 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.876 -7.225 1.843 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.996 -6.434 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.714 -4.314 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.940 -4.445 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.792 -4.713 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.110 -6.345 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.247 -6.828 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.348 -7.950 3.180 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.176 -9.980 1.714 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.514 -11.020 0.761 1.00 0.00 C ATOM 1110 C LEU A 65 -2.673 -12.366 1.450 1.00 0.00 C ATOM 1111 O LEU A 65 -3.505 -13.185 1.061 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.421 -11.112 -0.292 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.924 -11.124 -1.723 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -2.037 -9.706 -2.248 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -1.005 -11.964 -2.592 1.00 0.00 C ATOM 0 H LEU A 65 -1.230 -9.613 1.615 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.464 -10.763 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.741 -10.269 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.841 -12.018 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.917 -11.573 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.399 -9.726 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.735 -9.143 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.058 -9.228 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.375 -11.966 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.001 -11.544 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.980 -12.986 -2.213 1.00 0.00 H new ATOM 1127 N LYS A 66 -1.860 -12.587 2.469 1.00 0.00 N ATOM 1128 CA LYS A 66 -1.883 -13.839 3.205 1.00 0.00 C ATOM 1129 C LYS A 66 -3.133 -13.955 4.075 1.00 0.00 C ATOM 1130 O LYS A 66 -3.744 -15.020 4.155 1.00 0.00 O ATOM 1131 CB LYS A 66 -0.626 -13.948 4.066 1.00 0.00 C ATOM 1132 CG LYS A 66 0.007 -15.328 4.043 1.00 0.00 C ATOM 1133 CD LYS A 66 1.010 -15.453 2.909 1.00 0.00 C ATOM 1134 CE LYS A 66 2.417 -15.113 3.369 1.00 0.00 C ATOM 1135 NZ LYS A 66 3.087 -16.273 4.017 1.00 0.00 N ATOM 0 H LYS A 66 -1.173 -11.912 2.806 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.906 -14.658 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.105 -13.216 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.876 -13.689 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.504 -15.519 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.769 -16.085 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.991 -16.469 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.723 -14.790 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.008 -14.784 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.378 -14.279 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.044 -15.998 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.537 -16.572 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.148 -17.061 3.341 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.512 -12.858 4.725 1.00 0.00 N ATOM 1150 CA ARG A 67 -4.687 -12.857 5.591 1.00 0.00 C ATOM 1151 C ARG A 67 -5.979 -12.834 4.777 1.00 0.00 C ATOM 1152 O ARG A 67 -6.944 -13.519 5.114 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.651 -11.668 6.551 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.666 -10.335 5.843 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.911 -9.274 6.627 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.314 -9.240 8.031 1.00 0.00 N ATOM 1157 CZ ARG A 67 -3.827 -8.374 8.914 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -2.924 -7.479 8.540 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -4.242 -8.405 10.173 1.00 0.00 N ATOM 0 H ARG A 67 -3.026 -11.963 4.669 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.667 -13.780 6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.507 -11.725 7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.756 -11.734 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.220 -10.443 4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.697 -10.013 5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.840 -9.468 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.086 -8.297 6.176 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.006 -9.917 8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.601 -7.454 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.552 -6.815 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.935 -9.094 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.868 -7.740 10.850 1.00 0.00 H new ATOM 1173 N VAL A 68 -5.997 -12.039 3.710 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.165 -11.929 2.856 1.00 0.00 C ATOM 1175 C VAL A 68 -7.480 -13.258 2.180 1.00 0.00 C ATOM 1176 O VAL A 68 -8.642 -13.648 2.063 1.00 0.00 O ATOM 1177 CB VAL A 68 -6.945 -10.860 1.777 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -6.807 -9.483 2.406 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -5.732 -11.196 0.932 1.00 0.00 C ATOM 0 H VAL A 68 -5.209 -11.461 3.419 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.006 -11.644 3.489 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.818 -10.846 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.652 -8.740 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.715 -9.243 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.955 -9.477 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.593 -10.426 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.848 -11.243 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.882 -12.161 0.447 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.435 -13.955 1.748 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.595 -15.239 1.077 1.00 0.00 C ATOM 1191 C ALA A 69 -7.252 -16.262 1.998 1.00 0.00 C ATOM 1192 O ALA A 69 -6.730 -16.576 3.068 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.246 -15.752 0.596 1.00 0.00 C ATOM 0 H ALA A 69 -5.467 -13.652 1.851 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.247 -15.093 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.379 -16.712 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.813 -15.036 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.579 -15.876 1.449 1.00 0.00 H new