USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 476 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 14 HIS : no HD1:sc= -1.16! C(o=-1.2!,f=-2.2!) USER MOD Single : A 18 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.0886 (180deg=-0.497) USER MOD Single : A 32 HIS : no HD1:sc= -0.555 K(o=-0.55,f=-3.1) USER MOD Single : A 35 GLN : amide:sc=-0.00348 K(o=-0.0035,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= 0.276 (180deg=-2.15!) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= 0.865 (180deg=0.797) USER MOD Single : A 41 THR OG1 : rot -143:sc= 1.18 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.15) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -150:sc= -4.76! USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 225 N GLU A 13 -6.426 2.089 -6.461 1.00 0.00 N ATOM 226 CA GLU A 13 -5.754 1.486 -7.606 1.00 0.00 C ATOM 227 C GLU A 13 -4.369 0.981 -7.218 1.00 0.00 C ATOM 228 O GLU A 13 -3.542 1.739 -6.709 1.00 0.00 O ATOM 229 CB GLU A 13 -5.637 2.500 -8.745 1.00 0.00 C ATOM 230 CG GLU A 13 -6.751 2.391 -9.774 1.00 0.00 C ATOM 231 CD GLU A 13 -7.678 3.590 -9.759 1.00 0.00 C ATOM 232 OE1 GLU A 13 -7.905 4.152 -8.667 1.00 0.00 O ATOM 233 OE2 GLU A 13 -8.178 3.968 -10.840 1.00 0.00 O ATOM 0 HA GLU A 13 -6.351 0.638 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.638 3.506 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.678 2.364 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.314 2.287 -10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.329 1.487 -9.583 1.00 0.00 H new ATOM 240 N HIS A 14 -4.122 -0.303 -7.457 1.00 0.00 N ATOM 241 CA HIS A 14 -2.833 -0.907 -7.126 1.00 0.00 C ATOM 242 C HIS A 14 -1.940 -0.982 -8.360 1.00 0.00 C ATOM 243 O HIS A 14 -2.270 -1.648 -9.341 1.00 0.00 O ATOM 244 CB HIS A 14 -3.008 -2.313 -6.529 1.00 0.00 C ATOM 245 CG HIS A 14 -4.394 -2.616 -6.042 1.00 0.00 C ATOM 246 ND1 HIS A 14 -5.197 -1.681 -5.422 1.00 0.00 N ATOM 247 CD2 HIS A 14 -5.121 -3.757 -6.091 1.00 0.00 C ATOM 248 CE1 HIS A 14 -6.355 -2.234 -5.109 1.00 0.00 C ATOM 249 NE2 HIS A 14 -6.333 -3.493 -5.503 1.00 0.00 N ATOM 0 H HIS A 14 -4.794 -0.945 -7.877 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.359 -0.271 -6.378 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.733 -3.050 -7.283 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.311 -2.430 -5.699 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.806 -4.699 -6.514 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.179 -1.740 -4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.094 -4.162 -5.389 1.00 0.00 H new ATOM 258 N VAL A 15 -0.803 -0.298 -8.298 1.00 0.00 N ATOM 259 CA VAL A 15 0.150 -0.289 -9.403 1.00 0.00 C ATOM 260 C VAL A 15 1.482 -0.885 -8.962 1.00 0.00 C ATOM 261 O VAL A 15 1.914 -0.673 -7.833 1.00 0.00 O ATOM 262 CB VAL A 15 0.404 1.139 -9.938 1.00 0.00 C ATOM 263 CG1 VAL A 15 0.815 1.093 -11.401 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.820 2.028 -9.748 1.00 0.00 C ATOM 0 H VAL A 15 -0.518 0.259 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.288 -0.889 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 15 1.221 1.574 -9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.990 2.107 -11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.729 0.508 -11.504 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.021 0.631 -11.988 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.609 3.025 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.666 1.602 -10.287 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.061 2.093 -8.687 1.00 0.00 H new ATOM 274 N ILE A 16 2.130 -1.631 -9.848 1.00 0.00 N ATOM 275 CA ILE A 16 3.418 -2.231 -9.521 1.00 0.00 C ATOM 276 C ILE A 16 4.563 -1.319 -9.951 1.00 0.00 C ATOM 277 O ILE A 16 4.743 -1.038 -11.136 1.00 0.00 O ATOM 278 CB ILE A 16 3.590 -3.628 -10.157 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.535 -4.588 -9.602 1.00 0.00 C ATOM 280 CG2 ILE A 16 4.996 -4.170 -9.901 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.780 -6.038 -9.961 1.00 0.00 C ATOM 0 H ILE A 16 1.790 -1.834 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 16 3.443 -2.355 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 16 3.454 -3.539 -11.235 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.505 -4.492 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.555 -4.291 -9.975 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.095 -5.155 -10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.732 -3.493 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.165 -4.249 -8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.992 -6.657 -9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.780 -6.149 -11.045 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.745 -6.353 -9.564 1.00 0.00 H new ATOM 293 N LEU A 17 5.338 -0.878 -8.972 1.00 0.00 N ATOM 294 CA LEU A 17 6.457 0.016 -9.213 1.00 0.00 C ATOM 295 C LEU A 17 7.783 -0.717 -9.153 1.00 0.00 C ATOM 296 O LEU A 17 7.945 -1.671 -8.391 1.00 0.00 O ATOM 297 CB LEU A 17 6.461 1.112 -8.162 1.00 0.00 C ATOM 298 CG LEU A 17 5.549 2.290 -8.470 1.00 0.00 C ATOM 299 CD1 LEU A 17 4.555 2.493 -7.346 1.00 0.00 C ATOM 300 CD2 LEU A 17 6.370 3.545 -8.698 1.00 0.00 C ATOM 0 H LEU A 17 5.209 -1.129 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 17 6.338 0.436 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.165 0.681 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.480 1.480 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 17 4.993 2.075 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.909 3.339 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.949 1.595 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.091 2.691 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.705 4.380 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.950 3.768 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.046 3.390 -9.538 1.00 0.00 H new ATOM 312 N ASN A 18 8.750 -0.229 -9.916 1.00 0.00 N ATOM 313 CA ASN A 18 10.092 -0.777 -9.865 1.00 0.00 C ATOM 314 C ASN A 18 10.795 -0.233 -8.632 1.00 0.00 C ATOM 315 O ASN A 18 10.584 0.918 -8.250 1.00 0.00 O ATOM 316 CB ASN A 18 10.877 -0.415 -11.129 1.00 0.00 C ATOM 317 CG ASN A 18 10.015 -0.440 -12.377 1.00 0.00 C ATOM 318 OD1 ASN A 18 9.904 0.558 -13.088 1.00 0.00 O ATOM 319 ND2 ASN A 18 9.401 -1.585 -12.650 1.00 0.00 N ATOM 0 H ASN A 18 8.629 0.541 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 18 10.036 -1.864 -9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.311 0.578 -11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.706 -1.113 -11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.809 -1.662 -13.477 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.521 -2.388 -12.033 1.00 0.00 H new ATOM 326 N GLU A 19 11.614 -1.057 -7.992 1.00 0.00 N ATOM 327 CA GLU A 19 12.304 -0.642 -6.774 1.00 0.00 C ATOM 328 C GLU A 19 12.908 0.751 -6.932 1.00 0.00 C ATOM 329 O GLU A 19 12.871 1.558 -6.004 1.00 0.00 O ATOM 330 CB GLU A 19 13.393 -1.653 -6.413 1.00 0.00 C ATOM 331 CG GLU A 19 13.799 -1.615 -4.950 1.00 0.00 C ATOM 332 CD GLU A 19 15.262 -1.951 -4.742 1.00 0.00 C ATOM 333 OE1 GLU A 19 16.110 -1.379 -5.458 1.00 0.00 O ATOM 334 OE2 GLU A 19 15.559 -2.790 -3.866 1.00 0.00 O ATOM 0 H GLU A 19 11.817 -2.011 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 19 11.573 -0.604 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.042 -2.655 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.271 -1.464 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.597 -0.623 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.185 -2.319 -4.388 1.00 0.00 H new ATOM 341 N SER A 20 13.413 1.044 -8.126 1.00 0.00 N ATOM 342 CA SER A 20 13.987 2.353 -8.412 1.00 0.00 C ATOM 343 C SER A 20 12.894 3.416 -8.470 1.00 0.00 C ATOM 344 O SER A 20 12.975 4.445 -7.798 1.00 0.00 O ATOM 345 CB SER A 20 14.755 2.322 -9.735 1.00 0.00 C ATOM 346 OG SER A 20 14.907 3.627 -10.266 1.00 0.00 O ATOM 0 H SER A 20 13.436 0.393 -8.911 1.00 0.00 H new ATOM 0 HA SER A 20 14.679 2.605 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.736 1.873 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.226 1.693 -10.452 1.00 0.00 H new ATOM 0 HG SER A 20 15.402 3.581 -11.110 1.00 0.00 H new ATOM 352 N GLU A 21 11.868 3.156 -9.276 1.00 0.00 N ATOM 353 CA GLU A 21 10.749 4.078 -9.413 1.00 0.00 C ATOM 354 C GLU A 21 10.068 4.297 -8.073 1.00 0.00 C ATOM 355 O GLU A 21 9.824 5.427 -7.660 1.00 0.00 O ATOM 356 CB GLU A 21 9.732 3.530 -10.415 1.00 0.00 C ATOM 357 CG GLU A 21 9.296 4.544 -11.460 1.00 0.00 C ATOM 358 CD GLU A 21 8.099 4.074 -12.263 1.00 0.00 C ATOM 359 OE1 GLU A 21 7.864 2.848 -12.315 1.00 0.00 O ATOM 360 OE2 GLU A 21 7.395 4.931 -12.837 1.00 0.00 O ATOM 0 H GLU A 21 11.790 2.312 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 21 11.137 5.031 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.162 2.664 -10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.854 3.180 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.052 5.486 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.127 4.744 -12.136 1.00 0.00 H new ATOM 367 N ALA A 22 9.741 3.202 -7.405 1.00 0.00 N ATOM 368 CA ALA A 22 9.093 3.270 -6.109 1.00 0.00 C ATOM 369 C ALA A 22 10.029 3.871 -5.072 1.00 0.00 C ATOM 370 O ALA A 22 9.587 4.466 -4.090 1.00 0.00 O ATOM 371 CB ALA A 22 8.635 1.889 -5.681 1.00 0.00 C ATOM 0 H ALA A 22 9.915 2.255 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 22 8.219 3.916 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.150 1.952 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.929 1.497 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.496 1.224 -5.615 1.00 0.00 H new ATOM 377 N LYS A 23 11.328 3.707 -5.297 1.00 0.00 N ATOM 378 CA LYS A 23 12.326 4.225 -4.377 1.00 0.00 C ATOM 379 C LYS A 23 12.213 5.738 -4.237 1.00 0.00 C ATOM 380 O LYS A 23 12.127 6.255 -3.123 1.00 0.00 O ATOM 381 CB LYS A 23 13.736 3.842 -4.833 1.00 0.00 C ATOM 382 CG LYS A 23 14.333 2.688 -4.041 1.00 0.00 C ATOM 383 CD LYS A 23 15.388 1.939 -4.839 1.00 0.00 C ATOM 384 CE LYS A 23 16.447 1.335 -3.932 1.00 0.00 C ATOM 385 NZ LYS A 23 17.825 1.653 -4.396 1.00 0.00 N ATOM 0 H LYS A 23 11.711 3.220 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 23 12.140 3.776 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.708 3.573 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.388 4.711 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.776 3.070 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.540 1.999 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.913 1.150 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.860 2.619 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.311 1.708 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.318 0.253 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.517 1.222 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.964 1.275 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.958 2.684 -4.408 1.00 0.00 H new ATOM 399 N ARG A 24 12.212 6.455 -5.360 1.00 0.00 N ATOM 400 CA ARG A 24 12.091 7.906 -5.305 1.00 0.00 C ATOM 401 C ARG A 24 10.731 8.305 -4.774 1.00 0.00 C ATOM 402 O ARG A 24 10.621 9.242 -4.001 1.00 0.00 O ATOM 403 CB ARG A 24 12.297 8.563 -6.668 1.00 0.00 C ATOM 404 CG ARG A 24 11.206 8.270 -7.656 1.00 0.00 C ATOM 405 CD ARG A 24 11.653 8.545 -9.080 1.00 0.00 C ATOM 406 NE ARG A 24 10.701 8.035 -10.063 1.00 0.00 N ATOM 407 CZ ARG A 24 9.503 8.571 -10.273 1.00 0.00 C ATOM 408 NH1 ARG A 24 9.113 9.625 -9.570 1.00 0.00 N ATOM 409 NH2 ARG A 24 8.693 8.052 -11.187 1.00 0.00 N ATOM 0 H ARG A 24 12.292 6.063 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 24 12.877 8.255 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.371 9.642 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.248 8.228 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.902 7.227 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.332 8.878 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.777 9.619 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.628 8.087 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 24 10.970 7.223 -10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.733 10.026 -8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.193 10.035 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.989 7.241 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.774 8.464 -11.347 1.00 0.00 H new ATOM 423 N VAL A 25 9.692 7.615 -5.221 1.00 0.00 N ATOM 424 CA VAL A 25 8.342 7.942 -4.790 1.00 0.00 C ATOM 425 C VAL A 25 8.237 7.887 -3.274 1.00 0.00 C ATOM 426 O VAL A 25 7.873 8.868 -2.633 1.00 0.00 O ATOM 427 CB VAL A 25 7.294 6.990 -5.396 1.00 0.00 C ATOM 428 CG1 VAL A 25 5.897 7.570 -5.244 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.597 6.699 -6.859 1.00 0.00 C ATOM 0 H VAL A 25 9.756 6.834 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 25 8.137 8.953 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 25 7.340 6.047 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.169 6.884 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.676 7.713 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.843 8.529 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.841 6.024 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.589 7.631 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.579 6.233 -6.942 1.00 0.00 H new ATOM 439 N LEU A 26 8.611 6.750 -2.700 1.00 0.00 N ATOM 440 CA LEU A 26 8.567 6.578 -1.256 1.00 0.00 C ATOM 441 C LEU A 26 9.266 7.733 -0.549 1.00 0.00 C ATOM 442 O LEU A 26 8.696 8.365 0.342 1.00 0.00 O ATOM 443 CB LEU A 26 9.211 5.250 -0.864 1.00 0.00 C ATOM 444 CG LEU A 26 8.305 4.321 -0.058 1.00 0.00 C ATOM 445 CD1 LEU A 26 8.675 2.869 -0.297 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.388 4.660 1.417 1.00 0.00 C ATOM 0 H LEU A 26 8.948 5.935 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 26 7.523 6.571 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.527 4.733 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.110 5.454 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 26 7.277 4.465 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.017 2.225 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.565 2.635 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.709 2.702 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.738 3.991 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.416 4.542 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.070 5.691 1.572 1.00 0.00 H new ATOM 458 N LYS A 27 10.495 8.019 -0.963 1.00 0.00 N ATOM 459 CA LYS A 27 11.255 9.119 -0.384 1.00 0.00 C ATOM 460 C LYS A 27 10.620 10.452 -0.759 1.00 0.00 C ATOM 461 O LYS A 27 10.610 11.398 0.029 1.00 0.00 O ATOM 462 CB LYS A 27 12.709 9.076 -0.860 1.00 0.00 C ATOM 463 CG LYS A 27 13.387 7.738 -0.618 1.00 0.00 C ATOM 464 CD LYS A 27 13.446 7.403 0.863 1.00 0.00 C ATOM 465 CE LYS A 27 14.715 6.642 1.212 1.00 0.00 C ATOM 466 NZ LYS A 27 15.935 7.470 1.006 1.00 0.00 N ATOM 0 H LYS A 27 10.985 7.506 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 27 11.242 9.014 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.741 9.303 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.273 9.857 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.846 6.954 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.397 7.761 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.399 8.322 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.576 6.807 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.669 6.317 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.779 5.743 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.684 7.153 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.262 7.369 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.713 8.468 1.196 1.00 0.00 H new ATOM 480 N GLU A 28 10.078 10.505 -1.969 1.00 0.00 N ATOM 481 CA GLU A 28 9.404 11.691 -2.473 1.00 0.00 C ATOM 482 C GLU A 28 8.173 11.986 -1.628 1.00 0.00 C ATOM 483 O GLU A 28 7.871 13.138 -1.317 1.00 0.00 O ATOM 484 CB GLU A 28 8.995 11.460 -3.931 1.00 0.00 C ATOM 485 CG GLU A 28 10.124 11.672 -4.928 1.00 0.00 C ATOM 486 CD GLU A 28 9.866 12.832 -5.869 1.00 0.00 C ATOM 487 OE1 GLU A 28 9.055 13.714 -5.515 1.00 0.00 O ATOM 488 OE2 GLU A 28 10.471 12.857 -6.961 1.00 0.00 O ATOM 0 H GLU A 28 10.094 9.726 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 28 10.080 12.544 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.617 10.443 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.173 12.132 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.053 11.849 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.264 10.761 -5.511 1.00 0.00 H new ATOM 495 N LEU A 29 7.487 10.919 -1.245 1.00 0.00 N ATOM 496 CA LEU A 29 6.298 11.009 -0.412 1.00 0.00 C ATOM 497 C LEU A 29 6.642 11.431 1.018 1.00 0.00 C ATOM 498 O LEU A 29 5.750 11.687 1.825 1.00 0.00 O ATOM 499 CB LEU A 29 5.595 9.658 -0.386 1.00 0.00 C ATOM 500 CG LEU A 29 4.577 9.447 -1.506 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.275 9.382 -2.857 1.00 0.00 C ATOM 502 CD2 LEU A 29 3.774 8.186 -1.256 1.00 0.00 C ATOM 0 H LEU A 29 7.740 9.965 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 29 5.643 11.768 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.347 8.871 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.089 9.545 0.573 1.00 0.00 H new ATOM 0 HG LEU A 29 3.892 10.295 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.534 9.231 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.809 10.315 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.982 8.553 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.053 8.048 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.446 7.328 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.245 8.273 -0.307 1.00 0.00 H new ATOM 514 N ASP A 30 7.944 11.487 1.328 1.00 0.00 N ATOM 515 CA ASP A 30 8.421 11.844 2.665 1.00 0.00 C ATOM 516 C ASP A 30 8.430 10.619 3.572 1.00 0.00 C ATOM 517 O ASP A 30 7.984 10.674 4.717 1.00 0.00 O ATOM 518 CB ASP A 30 7.569 12.957 3.285 1.00 0.00 C ATOM 519 CG ASP A 30 8.296 13.696 4.391 1.00 0.00 C ATOM 520 OD1 ASP A 30 9.299 14.378 4.089 1.00 0.00 O ATOM 521 OD2 ASP A 30 7.863 13.595 5.557 1.00 0.00 O ATOM 0 H ASP A 30 8.690 11.287 0.662 1.00 0.00 H new ATOM 0 HA ASP A 30 9.440 12.218 2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.280 13.665 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.649 12.528 3.683 1.00 0.00 H new ATOM 526 N ALA A 31 8.944 9.512 3.043 1.00 0.00 N ATOM 527 CA ALA A 31 9.021 8.265 3.794 1.00 0.00 C ATOM 528 C ALA A 31 9.923 7.258 3.092 1.00 0.00 C ATOM 529 O ALA A 31 10.275 7.429 1.925 1.00 0.00 O ATOM 530 CB ALA A 31 7.634 7.672 3.986 1.00 0.00 C ATOM 0 H ALA A 31 9.314 9.454 2.094 1.00 0.00 H new ATOM 0 HA ALA A 31 9.450 8.490 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.711 6.742 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.010 8.377 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.186 7.472 3.013 1.00 0.00 H new ATOM 536 N HIS A 32 10.282 6.200 3.808 1.00 0.00 N ATOM 537 CA HIS A 32 11.121 5.146 3.250 1.00 0.00 C ATOM 538 C HIS A 32 10.409 3.806 3.335 1.00 0.00 C ATOM 539 O HIS A 32 9.550 3.604 4.194 1.00 0.00 O ATOM 540 CB HIS A 32 12.468 5.064 3.977 1.00 0.00 C ATOM 541 CG HIS A 32 12.890 6.343 4.637 1.00 0.00 C ATOM 542 ND1 HIS A 32 12.832 7.569 4.010 1.00 0.00 N ATOM 543 CD2 HIS A 32 13.371 6.581 5.881 1.00 0.00 C ATOM 544 CE1 HIS A 32 13.262 8.505 4.838 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.595 7.931 5.979 1.00 0.00 N ATOM 0 H HIS A 32 10.005 6.049 4.778 1.00 0.00 H new ATOM 0 HA HIS A 32 11.310 5.389 2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.413 4.280 4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.236 4.766 3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.546 5.845 6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.329 9.560 4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.960 8.413 6.801 1.00 0.00 H new ATOM 554 N PRO A 33 10.714 2.885 2.409 1.00 0.00 N ATOM 555 CA PRO A 33 10.090 1.566 2.387 1.00 0.00 C ATOM 556 C PRO A 33 10.188 0.876 3.740 1.00 0.00 C ATOM 557 O PRO A 33 9.365 0.026 4.078 1.00 0.00 O ATOM 558 CB PRO A 33 10.877 0.803 1.315 1.00 0.00 C ATOM 559 CG PRO A 33 12.111 1.607 1.084 1.00 0.00 C ATOM 560 CD PRO A 33 11.719 3.028 1.351 1.00 0.00 C ATOM 0 HA PRO A 33 9.023 1.616 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.122 -0.205 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.296 0.702 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.916 1.291 1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.473 1.485 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.568 3.629 1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.309 3.510 0.463 1.00 0.00 H new ATOM 568 N GLU A 34 11.185 1.274 4.524 1.00 0.00 N ATOM 569 CA GLU A 34 11.357 0.742 5.868 1.00 0.00 C ATOM 570 C GLU A 34 10.333 1.374 6.805 1.00 0.00 C ATOM 571 O GLU A 34 9.897 0.757 7.777 1.00 0.00 O ATOM 572 CB GLU A 34 12.774 1.015 6.379 1.00 0.00 C ATOM 573 CG GLU A 34 13.834 1.003 5.287 1.00 0.00 C ATOM 574 CD GLU A 34 13.786 -0.254 4.440 1.00 0.00 C ATOM 575 OE1 GLU A 34 13.521 -1.338 5.002 1.00 0.00 O ATOM 576 OE2 GLU A 34 14.015 -0.155 3.217 1.00 0.00 O ATOM 0 H GLU A 34 11.885 1.963 4.250 1.00 0.00 H new ATOM 0 HA GLU A 34 11.204 -0.337 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.790 1.984 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.030 0.267 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.699 1.874 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.820 1.092 5.742 1.00 0.00 H new ATOM 583 N GLN A 35 9.943 2.606 6.487 1.00 0.00 N ATOM 584 CA GLN A 35 8.947 3.327 7.269 1.00 0.00 C ATOM 585 C GLN A 35 7.548 2.841 6.919 1.00 0.00 C ATOM 586 O GLN A 35 6.646 2.845 7.756 1.00 0.00 O ATOM 587 CB GLN A 35 9.057 4.831 7.004 1.00 0.00 C ATOM 588 CG GLN A 35 10.383 5.433 7.444 1.00 0.00 C ATOM 589 CD GLN A 35 10.376 5.861 8.898 1.00 0.00 C ATOM 590 OE1 GLN A 35 9.505 5.462 9.673 1.00 0.00 O ATOM 591 NE2 GLN A 35 11.352 6.678 9.278 1.00 0.00 N ATOM 0 H GLN A 35 10.305 3.127 5.688 1.00 0.00 H new ATOM 0 HA GLN A 35 9.131 3.138 8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.920 5.014 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.246 5.343 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.178 4.704 7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.612 6.294 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.053 6.984 8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.401 6.999 10.245 1.00 0.00 H new ATOM 600 N LEU A 36 7.386 2.415 5.673 1.00 0.00 N ATOM 601 CA LEU A 36 6.108 1.907 5.194 1.00 0.00 C ATOM 602 C LEU A 36 5.938 0.438 5.570 1.00 0.00 C ATOM 603 O LEU A 36 6.873 -0.197 6.057 1.00 0.00 O ATOM 604 CB LEU A 36 6.018 2.070 3.672 1.00 0.00 C ATOM 605 CG LEU A 36 5.060 3.148 3.164 1.00 0.00 C ATOM 606 CD1 LEU A 36 5.101 4.360 4.066 1.00 0.00 C ATOM 607 CD2 LEU A 36 5.409 3.532 1.737 1.00 0.00 C ATOM 0 H LEU A 36 8.128 2.412 4.973 1.00 0.00 H new ATOM 0 HA LEU A 36 5.309 2.480 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.015 2.291 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.717 1.114 3.242 1.00 0.00 H new ATOM 0 HG LEU A 36 4.047 2.747 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.413 5.117 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.807 4.072 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.113 4.766 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.719 4.300 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.428 3.917 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.331 2.655 1.095 1.00 0.00 H new ATOM 619 N PRO A 37 4.742 -0.127 5.339 1.00 0.00 N ATOM 620 CA PRO A 37 4.464 -1.527 5.649 1.00 0.00 C ATOM 621 C PRO A 37 5.035 -2.472 4.599 1.00 0.00 C ATOM 622 O PRO A 37 4.953 -2.207 3.399 1.00 0.00 O ATOM 623 CB PRO A 37 2.939 -1.585 5.648 1.00 0.00 C ATOM 624 CG PRO A 37 2.525 -0.532 4.676 1.00 0.00 C ATOM 625 CD PRO A 37 3.570 0.554 4.756 1.00 0.00 C ATOM 0 HA PRO A 37 4.917 -1.840 6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.580 -2.568 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.534 -1.390 6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.463 -0.938 3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.538 -0.141 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.795 0.966 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.238 1.383 5.380 1.00 0.00 H new ATOM 633 N LYS A 38 5.619 -3.573 5.059 1.00 0.00 N ATOM 634 CA LYS A 38 6.203 -4.561 4.161 1.00 0.00 C ATOM 635 C LYS A 38 5.540 -5.918 4.351 1.00 0.00 C ATOM 636 O LYS A 38 5.465 -6.432 5.466 1.00 0.00 O ATOM 637 CB LYS A 38 7.710 -4.674 4.398 1.00 0.00 C ATOM 638 CG LYS A 38 8.438 -3.342 4.328 1.00 0.00 C ATOM 639 CD LYS A 38 8.958 -3.064 2.927 1.00 0.00 C ATOM 640 CE LYS A 38 10.477 -3.103 2.877 1.00 0.00 C ATOM 641 NZ LYS A 38 11.089 -2.197 3.888 1.00 0.00 N ATOM 0 H LYS A 38 5.700 -3.803 6.049 1.00 0.00 H new ATOM 0 HA LYS A 38 6.033 -4.232 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.883 -5.122 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.136 -5.351 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.764 -2.541 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.270 -3.343 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.551 -3.801 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.607 -2.087 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.820 -4.123 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.815 -2.817 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.862 -1.657 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.368 -1.539 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.466 -2.761 4.677 1.00 0.00 H new ATOM 655 N ILE A 39 5.048 -6.486 3.257 1.00 0.00 N ATOM 656 CA ILE A 39 4.383 -7.772 3.307 1.00 0.00 C ATOM 657 C ILE A 39 5.184 -8.830 2.560 1.00 0.00 C ATOM 658 O ILE A 39 5.671 -8.591 1.456 1.00 0.00 O ATOM 659 CB ILE A 39 2.966 -7.688 2.737 1.00 0.00 C ATOM 660 CG1 ILE A 39 2.236 -6.486 3.331 1.00 0.00 C ATOM 661 CG2 ILE A 39 2.207 -8.967 3.030 1.00 0.00 C ATOM 662 CD1 ILE A 39 2.259 -6.461 4.844 1.00 0.00 C ATOM 0 H ILE A 39 5.099 -6.072 2.326 1.00 0.00 H new ATOM 0 HA ILE A 39 4.314 -8.062 4.356 1.00 0.00 H new ATOM 0 HB ILE A 39 3.025 -7.562 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.690 -5.570 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.201 -6.493 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.200 -8.895 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.725 -9.810 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.149 -9.117 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.723 -5.582 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.779 -7.360 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.291 -6.423 5.192 1.00 0.00 H new ATOM 674 N LYS A 40 5.340 -9.990 3.185 1.00 0.00 N ATOM 675 CA LYS A 40 6.125 -11.073 2.609 1.00 0.00 C ATOM 676 C LYS A 40 5.497 -11.619 1.335 1.00 0.00 C ATOM 677 O LYS A 40 4.287 -11.523 1.135 1.00 0.00 O ATOM 678 CB LYS A 40 6.285 -12.199 3.627 1.00 0.00 C ATOM 679 CG LYS A 40 6.865 -11.730 4.945 1.00 0.00 C ATOM 680 CD LYS A 40 8.377 -11.582 4.861 1.00 0.00 C ATOM 681 CE LYS A 40 9.081 -12.506 5.841 1.00 0.00 C ATOM 682 NZ LYS A 40 10.467 -12.050 6.137 1.00 0.00 N ATOM 0 H LYS A 40 4.931 -10.205 4.094 1.00 0.00 H new ATOM 0 HA LYS A 40 7.102 -10.666 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.313 -12.658 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.930 -12.971 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.419 -10.775 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.610 -12.441 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.710 -11.803 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.655 -10.549 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.509 -12.555 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.111 -13.515 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.974 -12.795 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.964 -11.848 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.432 -11.188 6.717 1.00 0.00 H new ATOM 696 N THR A 41 6.329 -12.214 0.486 1.00 0.00 N ATOM 697 CA THR A 41 5.854 -12.802 -0.758 1.00 0.00 C ATOM 698 C THR A 41 4.897 -13.955 -0.472 1.00 0.00 C ATOM 699 O THR A 41 4.031 -14.275 -1.286 1.00 0.00 O ATOM 700 CB THR A 41 7.033 -13.283 -1.604 1.00 0.00 C ATOM 701 OG1 THR A 41 7.863 -14.157 -0.860 1.00 0.00 O ATOM 702 CG2 THR A 41 7.896 -12.152 -2.121 1.00 0.00 C ATOM 0 H THR A 41 7.334 -12.301 0.638 1.00 0.00 H new ATOM 0 HA THR A 41 5.315 -12.038 -1.318 1.00 0.00 H new ATOM 0 HB THR A 41 6.588 -13.797 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.800 -14.003 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.715 -12.561 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.294 -11.489 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.302 -11.590 -1.280 1.00 0.00 H new ATOM 710 N THR A 42 5.046 -14.568 0.701 1.00 0.00 N ATOM 711 CA THR A 42 4.154 -15.642 1.115 1.00 0.00 C ATOM 712 C THR A 42 2.774 -15.067 1.413 1.00 0.00 C ATOM 713 O THR A 42 1.751 -15.711 1.182 1.00 0.00 O ATOM 714 CB THR A 42 4.708 -16.356 2.350 1.00 0.00 C ATOM 715 OG1 THR A 42 5.571 -15.499 3.080 1.00 0.00 O ATOM 716 CG2 THR A 42 5.479 -17.616 2.018 1.00 0.00 C ATOM 0 H THR A 42 5.774 -14.338 1.377 1.00 0.00 H new ATOM 0 HA THR A 42 4.076 -16.370 0.308 1.00 0.00 H new ATOM 0 HB THR A 42 3.835 -16.632 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.914 -15.973 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.844 -18.072 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.825 -18.317 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.324 -17.367 1.377 1.00 0.00 H new ATOM 724 N ASP A 43 2.767 -13.825 1.885 1.00 0.00 N ATOM 725 CA ASP A 43 1.532 -13.111 2.178 1.00 0.00 C ATOM 726 C ASP A 43 0.814 -12.730 0.887 1.00 0.00 C ATOM 727 O ASP A 43 1.424 -12.677 -0.181 1.00 0.00 O ATOM 728 CB ASP A 43 1.823 -11.860 3.008 1.00 0.00 C ATOM 729 CG ASP A 43 2.155 -12.187 4.451 1.00 0.00 C ATOM 730 OD1 ASP A 43 1.220 -12.496 5.220 1.00 0.00 O ATOM 731 OD2 ASP A 43 3.349 -12.131 4.813 1.00 0.00 O ATOM 0 H ASP A 43 3.613 -13.288 2.074 1.00 0.00 H new ATOM 0 HA ASP A 43 0.884 -13.771 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.655 -11.316 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.957 -11.198 2.978 1.00 0.00 H new ATOM 736 N PRO A 44 -0.516 -12.555 0.954 1.00 0.00 N ATOM 737 CA PRO A 44 -1.340 -12.200 -0.209 1.00 0.00 C ATOM 738 C PRO A 44 -0.770 -11.037 -1.011 1.00 0.00 C ATOM 739 O PRO A 44 -1.090 -10.874 -2.189 1.00 0.00 O ATOM 740 CB PRO A 44 -2.696 -11.817 0.400 1.00 0.00 C ATOM 741 CG PRO A 44 -2.448 -11.672 1.865 1.00 0.00 C ATOM 742 CD PRO A 44 -1.312 -12.599 2.185 1.00 0.00 C ATOM 0 HA PRO A 44 -1.395 -13.026 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.070 -10.887 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.445 -12.583 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.195 -10.642 2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.337 -11.932 2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.742 -12.260 3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.661 -13.607 2.408 1.00 0.00 H new ATOM 750 N VAL A 45 0.114 -10.261 -0.396 1.00 0.00 N ATOM 751 CA VAL A 45 0.714 -9.121 -1.074 1.00 0.00 C ATOM 752 C VAL A 45 1.291 -9.536 -2.426 1.00 0.00 C ATOM 753 O VAL A 45 1.093 -8.856 -3.433 1.00 0.00 O ATOM 754 CB VAL A 45 1.834 -8.481 -0.225 1.00 0.00 C ATOM 755 CG1 VAL A 45 3.025 -9.423 -0.109 1.00 0.00 C ATOM 756 CG2 VAL A 45 2.257 -7.146 -0.819 1.00 0.00 C ATOM 0 H VAL A 45 0.429 -10.399 0.564 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.078 -8.387 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 45 1.446 -8.301 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.803 -8.953 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.709 -10.352 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.416 -9.639 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.047 -6.710 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.626 -7.300 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.402 -6.471 -0.843 1.00 0.00 H new ATOM 766 N ALA A 46 2.003 -10.658 -2.436 1.00 0.00 N ATOM 767 CA ALA A 46 2.595 -11.174 -3.663 1.00 0.00 C ATOM 768 C ALA A 46 1.515 -11.710 -4.591 1.00 0.00 C ATOM 769 O ALA A 46 1.459 -11.351 -5.766 1.00 0.00 O ATOM 770 CB ALA A 46 3.613 -12.256 -3.347 1.00 0.00 C ATOM 0 H ALA A 46 2.183 -11.226 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 46 3.108 -10.357 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.046 -12.631 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.402 -11.841 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.123 -13.074 -2.819 1.00 0.00 H new ATOM 776 N LYS A 47 0.641 -12.555 -4.048 1.00 0.00 N ATOM 777 CA LYS A 47 -0.465 -13.105 -4.822 1.00 0.00 C ATOM 778 C LYS A 47 -1.230 -11.979 -5.503 1.00 0.00 C ATOM 779 O LYS A 47 -1.737 -12.133 -6.613 1.00 0.00 O ATOM 780 CB LYS A 47 -1.402 -13.910 -3.919 1.00 0.00 C ATOM 781 CG LYS A 47 -1.103 -15.400 -3.908 1.00 0.00 C ATOM 782 CD LYS A 47 -1.668 -16.074 -2.668 1.00 0.00 C ATOM 783 CE LYS A 47 -0.615 -16.220 -1.581 1.00 0.00 C ATOM 784 NZ LYS A 47 -0.887 -17.386 -0.697 1.00 0.00 N ATOM 0 H LYS A 47 0.678 -12.871 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.062 -13.773 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.331 -13.526 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.430 -13.756 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.526 -15.863 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.025 -15.556 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.507 -15.491 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.057 -17.057 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.367 -16.334 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.583 -15.310 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.146 -17.450 0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.813 -17.266 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.892 -18.258 -1.264 1.00 0.00 H new ATOM 798 N ALA A 48 -1.280 -10.833 -4.831 1.00 0.00 N ATOM 799 CA ALA A 48 -1.926 -9.654 -5.375 1.00 0.00 C ATOM 800 C ALA A 48 -1.040 -9.018 -6.436 1.00 0.00 C ATOM 801 O ALA A 48 0.184 -9.012 -6.312 1.00 0.00 O ATOM 802 CB ALA A 48 -2.235 -8.659 -4.269 1.00 0.00 C ATOM 0 H ALA A 48 -0.877 -10.700 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.867 -9.951 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.719 -7.780 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.899 -9.121 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.308 -8.360 -3.779 1.00 0.00 H new ATOM 808 N ILE A 49 -1.661 -8.514 -7.494 1.00 0.00 N ATOM 809 CA ILE A 49 -0.930 -7.898 -8.602 1.00 0.00 C ATOM 810 C ILE A 49 0.292 -8.728 -8.997 1.00 0.00 C ATOM 811 O ILE A 49 1.278 -8.195 -9.501 1.00 0.00 O ATOM 812 CB ILE A 49 -0.485 -6.454 -8.275 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.580 -6.437 -7.161 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.694 -5.601 -7.904 1.00 0.00 C ATOM 815 CD1 ILE A 49 0.025 -6.402 -5.749 1.00 0.00 C ATOM 0 H ILE A 49 -2.674 -8.518 -7.612 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.624 -7.863 -9.442 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.025 -6.025 -9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.210 -7.320 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.222 -5.568 -7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.367 -4.586 -7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.393 -5.578 -8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.187 -6.028 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.848 -6.392 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.580 -5.505 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.592 -7.284 -5.579 1.00 0.00 H new ATOM 827 N GLY A 50 0.221 -10.037 -8.759 1.00 0.00 N ATOM 828 CA GLY A 50 1.319 -10.928 -9.106 1.00 0.00 C ATOM 829 C GLY A 50 2.689 -10.348 -8.794 1.00 0.00 C ATOM 830 O GLY A 50 3.649 -10.583 -9.528 1.00 0.00 O ATOM 0 H GLY A 50 -0.581 -10.498 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.199 -11.868 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.265 -11.162 -10.169 1.00 0.00 H new ATOM 834 N ALA A 51 2.782 -9.588 -7.707 1.00 0.00 N ATOM 835 CA ALA A 51 4.046 -8.974 -7.313 1.00 0.00 C ATOM 836 C ALA A 51 5.116 -10.024 -7.064 1.00 0.00 C ATOM 837 O ALA A 51 4.814 -11.194 -6.826 1.00 0.00 O ATOM 838 CB ALA A 51 3.867 -8.115 -6.070 1.00 0.00 C ATOM 0 H ALA A 51 2.000 -9.383 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 51 4.370 -8.339 -8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.823 -7.668 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.143 -7.326 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.507 -8.734 -5.248 1.00 0.00 H new ATOM 844 N LYS A 52 6.368 -9.591 -7.107 1.00 0.00 N ATOM 845 CA LYS A 52 7.491 -10.483 -6.869 1.00 0.00 C ATOM 846 C LYS A 52 8.419 -9.910 -5.806 1.00 0.00 C ATOM 847 O LYS A 52 8.339 -8.729 -5.468 1.00 0.00 O ATOM 848 CB LYS A 52 8.253 -10.757 -8.172 1.00 0.00 C ATOM 849 CG LYS A 52 9.220 -9.660 -8.593 1.00 0.00 C ATOM 850 CD LYS A 52 10.378 -10.228 -9.395 1.00 0.00 C ATOM 851 CE LYS A 52 11.715 -9.736 -8.867 1.00 0.00 C ATOM 852 NZ LYS A 52 12.302 -8.679 -9.737 1.00 0.00 N ATOM 0 H LYS A 52 6.631 -8.625 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 52 7.101 -11.432 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.809 -11.688 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.530 -10.911 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.692 -8.915 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.602 -9.149 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.349 -11.317 -9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.272 -9.943 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.585 -9.345 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.408 -10.574 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.213 -8.371 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.450 -9.059 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.653 -7.868 -9.784 1.00 0.00 H new ATOM 866 N ARG A 53 9.266 -10.764 -5.257 1.00 0.00 N ATOM 867 CA ARG A 53 10.206 -10.346 -4.226 1.00 0.00 C ATOM 868 C ARG A 53 11.040 -9.160 -4.694 1.00 0.00 C ATOM 869 O ARG A 53 12.018 -9.324 -5.424 1.00 0.00 O ATOM 870 CB ARG A 53 11.118 -11.509 -3.839 1.00 0.00 C ATOM 871 CG ARG A 53 11.563 -11.469 -2.388 1.00 0.00 C ATOM 872 CD ARG A 53 12.494 -10.295 -2.128 1.00 0.00 C ATOM 873 NE ARG A 53 13.636 -10.672 -1.300 1.00 0.00 N ATOM 874 CZ ARG A 53 14.686 -11.345 -1.758 1.00 0.00 C ATOM 875 NH1 ARG A 53 14.738 -11.710 -3.033 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.687 -11.652 -0.945 1.00 0.00 N ATOM 0 H ARG A 53 9.324 -11.751 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 53 9.633 -10.036 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.596 -12.448 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.998 -11.500 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.690 -11.394 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.069 -12.400 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.851 -9.899 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.940 -9.495 -1.637 1.00 0.00 H new ATOM 0 HE ARG A 53 13.627 -10.404 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.971 -11.474 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.545 -12.227 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.652 -11.371 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.492 -12.169 -1.299 1.00 0.00 H new ATOM 890 N GLY A 54 10.648 -7.964 -4.268 1.00 0.00 N ATOM 891 CA GLY A 54 11.371 -6.765 -4.648 1.00 0.00 C ATOM 892 C GLY A 54 10.527 -5.813 -5.473 1.00 0.00 C ATOM 893 O GLY A 54 11.060 -4.978 -6.205 1.00 0.00 O ATOM 0 H GLY A 54 9.841 -7.804 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.717 -6.253 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.258 -7.045 -5.217 1.00 0.00 H new ATOM 897 N ASP A 55 9.208 -5.935 -5.355 1.00 0.00 N ATOM 898 CA ASP A 55 8.294 -5.083 -6.101 1.00 0.00 C ATOM 899 C ASP A 55 7.429 -4.249 -5.162 1.00 0.00 C ATOM 900 O ASP A 55 6.753 -4.787 -4.285 1.00 0.00 O ATOM 901 CB ASP A 55 7.399 -5.937 -7.002 1.00 0.00 C ATOM 902 CG ASP A 55 7.701 -5.738 -8.474 1.00 0.00 C ATOM 903 OD1 ASP A 55 7.901 -4.578 -8.888 1.00 0.00 O ATOM 904 OD2 ASP A 55 7.735 -6.744 -9.214 1.00 0.00 O ATOM 0 H ASP A 55 8.750 -6.616 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 55 8.889 -4.406 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.529 -6.989 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.355 -5.689 -6.812 1.00 0.00 H new ATOM 909 N ILE A 56 7.439 -2.934 -5.362 1.00 0.00 N ATOM 910 CA ILE A 56 6.628 -2.036 -4.550 1.00 0.00 C ATOM 911 C ILE A 56 5.319 -1.721 -5.267 1.00 0.00 C ATOM 912 O ILE A 56 5.294 -1.531 -6.483 1.00 0.00 O ATOM 913 CB ILE A 56 7.376 -0.722 -4.225 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.607 -1.011 -3.364 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.459 0.272 -3.516 1.00 0.00 C ATOM 916 CD1 ILE A 56 9.918 -0.728 -4.067 1.00 0.00 C ATOM 0 H ILE A 56 7.998 -2.469 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 56 6.418 -2.543 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 56 7.698 -0.276 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.554 -0.410 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.588 -2.056 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.011 1.186 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.609 0.505 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.101 -0.165 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.747 -0.956 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.993 -1.348 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.959 0.324 -4.351 1.00 0.00 H new ATOM 928 N VAL A 57 4.231 -1.686 -4.508 1.00 0.00 N ATOM 929 CA VAL A 57 2.916 -1.426 -5.075 1.00 0.00 C ATOM 930 C VAL A 57 2.425 -0.025 -4.725 1.00 0.00 C ATOM 931 O VAL A 57 2.651 0.466 -3.621 1.00 0.00 O ATOM 932 CB VAL A 57 1.885 -2.461 -4.595 1.00 0.00 C ATOM 933 CG1 VAL A 57 1.718 -2.386 -3.085 1.00 0.00 C ATOM 934 CG2 VAL A 57 0.558 -2.252 -5.307 1.00 0.00 C ATOM 0 H VAL A 57 4.234 -1.834 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 57 3.019 -1.504 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 57 2.247 -3.459 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.985 -3.125 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.674 -2.589 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.375 -1.390 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.163 -2.991 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.184 -1.251 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.700 -2.364 -6.382 1.00 0.00 H new ATOM 944 N LYS A 58 1.766 0.619 -5.685 1.00 0.00 N ATOM 945 CA LYS A 58 1.265 1.973 -5.496 1.00 0.00 C ATOM 946 C LYS A 58 -0.257 1.977 -5.318 1.00 0.00 C ATOM 947 O LYS A 58 -1.005 1.599 -6.219 1.00 0.00 O ATOM 948 CB LYS A 58 1.721 2.854 -6.686 1.00 0.00 C ATOM 949 CG LYS A 58 0.651 3.705 -7.362 1.00 0.00 C ATOM 950 CD LYS A 58 0.222 4.872 -6.493 1.00 0.00 C ATOM 951 CE LYS A 58 1.097 6.095 -6.721 1.00 0.00 C ATOM 952 NZ LYS A 58 0.427 7.103 -7.587 1.00 0.00 N ATOM 0 H LYS A 58 1.567 0.222 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 58 1.681 2.393 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.511 3.518 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.164 2.203 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.033 4.081 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.216 3.084 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.817 5.123 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.270 4.581 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.345 6.548 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.037 5.789 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.137 7.761 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.054 6.621 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.271 7.633 -7.027 1.00 0.00 H new ATOM 966 N ILE A 59 -0.698 2.395 -4.136 1.00 0.00 N ATOM 967 CA ILE A 59 -2.120 2.498 -3.835 1.00 0.00 C ATOM 968 C ILE A 59 -2.487 3.947 -3.550 1.00 0.00 C ATOM 969 O ILE A 59 -1.753 4.650 -2.857 1.00 0.00 O ATOM 970 CB ILE A 59 -2.512 1.628 -2.626 1.00 0.00 C ATOM 971 CG1 ILE A 59 -2.017 0.194 -2.821 1.00 0.00 C ATOM 972 CG2 ILE A 59 -4.019 1.649 -2.424 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.729 -0.103 -2.087 1.00 0.00 C ATOM 0 H ILE A 59 -0.086 2.669 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.667 2.138 -4.706 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.039 2.039 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.788 -0.498 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.870 0.010 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.280 1.029 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.348 2.673 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.511 1.260 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.436 -1.137 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.055 0.565 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.876 0.049 -1.018 1.00 0.00 H new ATOM 985 N ILE A 60 -3.609 4.403 -4.094 1.00 0.00 N ATOM 986 CA ILE A 60 -4.029 5.785 -3.898 1.00 0.00 C ATOM 987 C ILE A 60 -5.407 5.874 -3.258 1.00 0.00 C ATOM 988 O ILE A 60 -6.360 5.235 -3.705 1.00 0.00 O ATOM 989 CB ILE A 60 -4.043 6.567 -5.224 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.769 6.281 -6.016 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.187 8.059 -4.961 1.00 0.00 C ATOM 992 CD1 ILE A 60 -3.029 5.797 -7.425 1.00 0.00 C ATOM 0 H ILE A 60 -4.239 3.843 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.297 6.231 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.900 6.241 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.166 7.188 -6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.182 5.531 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.195 8.596 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.120 8.246 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.349 8.404 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.079 5.614 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.606 4.873 -7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.589 6.555 -7.972 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.663 8.311 -0.725 1.00 0.00 N ATOM 1150 CA VAL A 70 -1.001 7.195 -1.391 1.00 0.00 C ATOM 1151 C VAL A 70 -0.128 6.416 -0.407 1.00 0.00 C ATOM 1152 O VAL A 70 0.567 7.004 0.422 1.00 0.00 O ATOM 1153 CB VAL A 70 -0.136 7.681 -2.577 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.647 6.530 -3.198 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -1.006 8.358 -3.627 1.00 0.00 C ATOM 0 HA VAL A 70 -1.781 6.538 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 70 0.581 8.407 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.245 6.904 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.303 6.090 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.047 5.773 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.382 8.694 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.748 7.650 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.512 9.215 -3.183 1.00 0.00 H new ATOM 1165 N THR A 71 -0.167 5.092 -0.514 1.00 0.00 N ATOM 1166 CA THR A 71 0.625 4.229 0.356 1.00 0.00 C ATOM 1167 C THR A 71 1.330 3.145 -0.453 1.00 0.00 C ATOM 1168 O THR A 71 0.693 2.402 -1.202 1.00 0.00 O ATOM 1169 CB THR A 71 -0.266 3.586 1.421 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.516 2.871 2.362 1.00 0.00 O ATOM 1171 CG2 THR A 71 -1.289 2.629 0.850 1.00 0.00 C ATOM 0 H THR A 71 -0.739 4.593 -1.195 1.00 0.00 H new ATOM 0 HA THR A 71 1.380 4.843 0.847 1.00 0.00 H new ATOM 0 HB THR A 71 -0.795 4.414 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.070 2.468 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.886 2.209 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.940 3.163 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.779 1.824 0.321 1.00 0.00 H new ATOM 1179 N TYR A 72 2.645 3.053 -0.291 1.00 0.00 N ATOM 1180 CA TYR A 72 3.437 2.065 -1.017 1.00 0.00 C ATOM 1181 C TYR A 72 3.771 0.861 -0.142 1.00 0.00 C ATOM 1182 O TYR A 72 3.986 0.990 1.063 1.00 0.00 O ATOM 1183 CB TYR A 72 4.724 2.695 -1.554 1.00 0.00 C ATOM 1184 CG TYR A 72 4.531 3.492 -2.826 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.288 4.016 -3.166 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.594 3.719 -3.689 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.112 4.742 -4.329 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.429 4.446 -4.848 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.186 4.950 -5.169 1.00 0.00 C ATOM 1190 OH TYR A 72 4.017 5.671 -6.329 1.00 0.00 O ATOM 0 H TYR A 72 3.185 3.649 0.336 1.00 0.00 H new ATOM 0 HA TYR A 72 2.834 1.716 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.145 3.347 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.454 1.907 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.446 3.853 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.568 3.319 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.141 5.143 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.270 4.620 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 72 4.649 5.353 -7.007 1.00 0.00 H new ATOM 1200 N ARG A 73 3.808 -0.312 -0.764 1.00 0.00 N ATOM 1201 CA ARG A 73 4.142 -1.545 -0.065 1.00 0.00 C ATOM 1202 C ARG A 73 5.133 -2.356 -0.890 1.00 0.00 C ATOM 1203 O ARG A 73 4.904 -2.601 -2.073 1.00 0.00 O ATOM 1204 CB ARG A 73 2.879 -2.370 0.195 1.00 0.00 C ATOM 1205 CG ARG A 73 3.036 -3.388 1.311 1.00 0.00 C ATOM 1206 CD ARG A 73 2.118 -3.074 2.481 1.00 0.00 C ATOM 1207 NE ARG A 73 1.040 -4.051 2.610 1.00 0.00 N ATOM 1208 CZ ARG A 73 0.073 -3.967 3.517 1.00 0.00 C ATOM 1209 NH1 ARG A 73 0.049 -2.953 4.370 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -0.871 -4.896 3.571 1.00 0.00 N ATOM 0 H ARG A 73 3.609 -0.434 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 73 4.596 -1.292 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.059 -1.696 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.599 -2.889 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.814 -4.385 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.071 -3.400 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.700 -3.053 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.692 -2.079 2.350 1.00 0.00 H new ATOM 0 HE ARG A 73 1.029 -4.843 1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.773 -2.236 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.694 -2.889 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.856 -5.677 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.613 -4.830 4.268 1.00 0.00 H new ATOM 1224 N LEU A 74 6.225 -2.779 -0.263 1.00 0.00 N ATOM 1225 CA LEU A 74 7.256 -3.533 -0.965 1.00 0.00 C ATOM 1226 C LEU A 74 7.153 -5.023 -0.674 1.00 0.00 C ATOM 1227 O LEU A 74 6.958 -5.434 0.470 1.00 0.00 O ATOM 1228 CB LEU A 74 8.644 -3.023 -0.568 1.00 0.00 C ATOM 1229 CG LEU A 74 9.817 -3.894 -1.028 1.00 0.00 C ATOM 1230 CD1 LEU A 74 9.757 -4.128 -2.530 1.00 0.00 C ATOM 1231 CD2 LEU A 74 11.140 -3.253 -0.637 1.00 0.00 C ATOM 0 H LEU A 74 6.418 -2.614 0.725 1.00 0.00 H new ATOM 0 HA LEU A 74 7.105 -3.385 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.775 -2.021 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.683 -2.933 0.518 1.00 0.00 H new ATOM 0 HG LEU A 74 9.742 -4.861 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.599 -4.749 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.824 -4.632 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.805 -3.171 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.963 -3.885 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.222 -2.272 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.184 -3.142 0.446 1.00 0.00 H new ATOM 1243 N VAL A 75 7.303 -5.830 -1.719 1.00 0.00 N ATOM 1244 CA VAL A 75 7.264 -7.277 -1.573 1.00 0.00 C ATOM 1245 C VAL A 75 8.646 -7.805 -1.205 1.00 0.00 C ATOM 1246 O VAL A 75 9.597 -7.683 -1.976 1.00 0.00 O ATOM 1247 CB VAL A 75 6.769 -7.957 -2.865 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.835 -9.473 -2.751 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.355 -7.512 -3.183 1.00 0.00 C ATOM 0 H VAL A 75 7.452 -5.505 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 75 6.562 -7.515 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 75 7.427 -7.654 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.479 -9.923 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.865 -9.780 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.208 -9.803 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.017 -7.999 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.694 -7.785 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.336 -6.431 -3.320 1.00 0.00 H new ATOM 1259 N GLN A 76 8.745 -8.386 -0.017 1.00 0.00 N ATOM 1260 CA GLN A 76 10.013 -8.906 0.478 1.00 0.00 C ATOM 1261 C GLN A 76 9.907 -10.389 0.812 1.00 0.00 C ATOM 1262 O GLN A 76 8.822 -10.895 1.090 1.00 0.00 O ATOM 1263 CB GLN A 76 10.451 -8.124 1.718 1.00 0.00 C ATOM 1264 CG GLN A 76 11.949 -8.168 1.970 1.00 0.00 C ATOM 1265 CD GLN A 76 12.362 -7.358 3.182 1.00 0.00 C ATOM 1266 OE1 GLN A 76 11.608 -6.512 3.663 1.00 0.00 O ATOM 1267 NE2 GLN A 76 13.565 -7.613 3.681 1.00 0.00 N ATOM 0 H GLN A 76 7.961 -8.509 0.623 1.00 0.00 H new ATOM 0 HA GLN A 76 10.758 -8.786 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.140 -7.085 1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.933 -8.523 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.260 -9.204 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.472 -7.792 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.156 -8.323 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.899 -7.099 4.496 1.00 0.00 H new ATOM 1276 N ASP A 77 11.038 -11.085 0.779 1.00 0.00 N ATOM 1277 CA ASP A 77 11.061 -12.508 1.093 1.00 0.00 C ATOM 1278 C ASP A 77 11.218 -12.732 2.594 1.00 0.00 C ATOM 1279 O ASP A 77 10.888 -11.807 3.366 1.00 0.00 O ATOM 1280 CB ASP A 77 12.199 -13.203 0.343 1.00 0.00 C ATOM 1281 CG ASP A 77 11.714 -14.368 -0.497 1.00 0.00 C ATOM 1282 OD1 ASP A 77 10.568 -14.310 -0.987 1.00 0.00 O ATOM 1283 OD2 ASP A 77 12.482 -15.340 -0.663 1.00 0.00 O ATOM 1284 OXT ASP A 77 11.669 -13.830 2.984 1.00 0.00 O ATOM 0 H ASP A 77 11.947 -10.689 0.539 1.00 0.00 H new ATOM 0 HA ASP A 77 10.111 -12.937 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.701 -12.480 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.938 -13.559 1.060 1.00 0.00 H new