USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 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 11 LYS NZ :NH3+ 155:sc= -0.0992 (180deg=-0.511) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 33:sc= 0.455 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -73:sc= 0.535 USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= 0.4 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -163:sc= -3.87! USER MOD Single : A 65 GLN : amide:sc= -0.02 K(o=-0.02,f=-2.2!) USER MOD Single : A 66 ASN : amide:sc= -0.0851 X(o=-0.085,f=-0.16) USER MOD Single : A 68 GLN : amide:sc= -0.0911 K(o=-0.091,f=-1.4) USER MOD Single : A 70 GLN : amide:sc=-0.00195 K(o=-0.002,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 9.931 -16.445 -7.426 1.00 0.00 N ATOM 192 CA VAL A 10 9.080 -15.402 -6.868 1.00 0.00 C ATOM 193 C VAL A 10 8.561 -14.473 -7.960 1.00 0.00 C ATOM 194 O VAL A 10 9.270 -14.169 -8.921 1.00 0.00 O ATOM 195 CB VAL A 10 9.832 -14.567 -5.814 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.947 -13.447 -5.290 1.00 0.00 C ATOM 197 CG2 VAL A 10 10.313 -15.455 -4.677 1.00 0.00 C ATOM 0 HA VAL A 10 8.238 -15.903 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 10 10.705 -14.116 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.495 -12.868 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.657 -12.796 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.054 -13.873 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.842 -14.849 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.457 -15.935 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.985 -16.218 -5.070 1.00 0.00 H new ATOM 207 N LYS A 11 7.321 -14.023 -7.807 1.00 0.00 N ATOM 208 CA LYS A 11 6.706 -13.126 -8.779 1.00 0.00 C ATOM 209 C LYS A 11 6.342 -11.793 -8.135 1.00 0.00 C ATOM 210 O LYS A 11 5.547 -11.742 -7.195 1.00 0.00 O ATOM 211 CB LYS A 11 5.456 -13.773 -9.380 1.00 0.00 C ATOM 212 CG LYS A 11 4.761 -12.905 -10.416 1.00 0.00 C ATOM 213 CD LYS A 11 5.574 -12.803 -11.695 1.00 0.00 C ATOM 214 CE LYS A 11 5.281 -13.961 -12.636 1.00 0.00 C ATOM 215 NZ LYS A 11 3.881 -13.923 -13.142 1.00 0.00 N ATOM 0 H LYS A 11 6.721 -14.265 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 11 7.429 -12.940 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.733 -14.722 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.753 -14.001 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.779 -13.321 -10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.599 -11.908 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.350 -11.861 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.636 -12.790 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.973 -13.929 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.454 -14.904 -12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.827 -14.422 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.251 -14.386 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.585 -12.934 -13.271 1.00 0.00 H new ATOM 229 N VAL A 12 6.927 -10.714 -8.646 1.00 0.00 N ATOM 230 CA VAL A 12 6.661 -9.380 -8.122 1.00 0.00 C ATOM 231 C VAL A 12 6.057 -8.479 -9.193 1.00 0.00 C ATOM 232 O VAL A 12 6.435 -8.547 -10.362 1.00 0.00 O ATOM 233 CB VAL A 12 7.946 -8.724 -7.580 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.678 -7.284 -7.169 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.501 -9.526 -6.413 1.00 0.00 C ATOM 0 H VAL A 12 7.588 -10.738 -9.422 1.00 0.00 H new ATOM 0 HA VAL A 12 5.948 -9.497 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 12 8.693 -8.717 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.597 -6.837 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.330 -6.718 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.915 -7.264 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.408 -9.049 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.760 -9.567 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.733 -10.538 -6.745 1.00 0.00 H new ATOM 245 N VAL A 13 5.115 -7.634 -8.785 1.00 0.00 N ATOM 246 CA VAL A 13 4.458 -6.717 -9.709 1.00 0.00 C ATOM 247 C VAL A 13 4.569 -5.276 -9.225 1.00 0.00 C ATOM 248 O VAL A 13 4.424 -4.997 -8.034 1.00 0.00 O ATOM 249 CB VAL A 13 2.971 -7.073 -9.891 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.321 -6.150 -10.910 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.819 -8.529 -10.304 1.00 0.00 C ATOM 0 H VAL A 13 4.790 -7.566 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 13 4.967 -6.815 -10.668 1.00 0.00 H new ATOM 0 HB VAL A 13 2.463 -6.935 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.271 -6.417 -11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.398 -5.118 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.828 -6.252 -11.869 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.762 -8.764 -10.428 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.341 -8.696 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.245 -9.172 -9.534 1.00 0.00 H new ATOM 261 N TYR A 14 4.827 -4.363 -10.155 1.00 0.00 N ATOM 262 CA TYR A 14 4.959 -2.950 -9.823 1.00 0.00 C ATOM 263 C TYR A 14 3.863 -2.127 -10.495 1.00 0.00 C ATOM 264 O TYR A 14 3.566 -2.314 -11.676 1.00 0.00 O ATOM 265 CB TYR A 14 6.334 -2.431 -10.248 1.00 0.00 C ATOM 266 CG TYR A 14 7.447 -2.821 -9.302 1.00 0.00 C ATOM 267 CD1 TYR A 14 8.030 -4.080 -9.366 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.914 -1.930 -8.344 1.00 0.00 C ATOM 269 CE1 TYR A 14 9.047 -4.441 -8.504 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.932 -2.282 -7.478 1.00 0.00 C ATOM 271 CZ TYR A 14 9.494 -3.539 -7.561 1.00 0.00 C ATOM 272 OH TYR A 14 10.507 -3.894 -6.700 1.00 0.00 O ATOM 0 H TYR A 14 4.949 -4.577 -11.145 1.00 0.00 H new ATOM 0 HA TYR A 14 4.856 -2.846 -8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.565 -2.811 -11.243 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.296 -1.344 -10.322 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.682 -4.789 -10.103 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.474 -0.946 -8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.490 -5.424 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.286 -1.577 -6.740 1.00 0.00 H new ATOM 0 HH TYR A 14 10.704 -3.145 -6.100 1.00 0.00 H new ATOM 282 N LEU A 15 3.265 -1.217 -9.734 1.00 0.00 N ATOM 283 CA LEU A 15 2.202 -0.364 -10.254 1.00 0.00 C ATOM 284 C LEU A 15 2.270 1.029 -9.636 1.00 0.00 C ATOM 285 O LEU A 15 2.578 1.180 -8.454 1.00 0.00 O ATOM 286 CB LEU A 15 0.836 -0.992 -9.975 1.00 0.00 C ATOM 287 CG LEU A 15 0.711 -2.487 -10.270 1.00 0.00 C ATOM 288 CD1 LEU A 15 1.084 -3.306 -9.044 1.00 0.00 C ATOM 289 CD2 LEU A 15 -0.700 -2.825 -10.730 1.00 0.00 C ATOM 0 H LEU A 15 3.498 -1.051 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 15 2.339 -0.270 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.590 -0.827 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.088 -0.462 -10.564 1.00 0.00 H new ATOM 0 HG LEU A 15 1.403 -2.738 -11.074 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.989 -4.367 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.113 -3.087 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.418 -3.052 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.770 -3.893 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.411 -2.559 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.931 -2.266 -11.637 1.00 0.00 H new ATOM 301 N ARG A 16 1.979 2.043 -10.443 1.00 0.00 N ATOM 302 CA ARG A 16 2.006 3.424 -9.975 1.00 0.00 C ATOM 303 C ARG A 16 0.610 3.888 -9.568 1.00 0.00 C ATOM 304 O ARG A 16 -0.355 3.713 -10.314 1.00 0.00 O ATOM 305 CB ARG A 16 2.563 4.343 -11.064 1.00 0.00 C ATOM 306 CG ARG A 16 1.533 4.745 -12.107 1.00 0.00 C ATOM 307 CD ARG A 16 0.801 6.016 -11.707 1.00 0.00 C ATOM 308 NE ARG A 16 0.317 6.758 -12.869 1.00 0.00 N ATOM 309 CZ ARG A 16 -0.685 6.347 -13.638 1.00 0.00 C ATOM 310 NH1 ARG A 16 -1.307 5.207 -13.369 1.00 0.00 N ATOM 311 NH2 ARG A 16 -1.068 7.078 -14.677 1.00 0.00 N ATOM 0 H ARG A 16 1.722 1.935 -11.424 1.00 0.00 H new ATOM 0 HA ARG A 16 2.655 3.472 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.966 5.242 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.394 3.842 -11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.026 4.895 -13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.814 3.937 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.041 5.762 -11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.469 6.651 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 16 0.774 7.640 -13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.016 4.644 -12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.076 4.894 -13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.593 7.956 -14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.838 6.762 -15.267 1.00 0.00 H new ATOM 325 N CYS A 17 0.511 4.477 -8.382 1.00 0.00 N ATOM 326 CA CYS A 17 -0.767 4.964 -7.875 1.00 0.00 C ATOM 327 C CYS A 17 -0.556 6.031 -6.805 1.00 0.00 C ATOM 328 O CYS A 17 0.553 6.212 -6.302 1.00 0.00 O ATOM 329 CB CYS A 17 -1.587 3.807 -7.303 1.00 0.00 C ATOM 330 SG CYS A 17 -2.649 2.986 -8.515 1.00 0.00 S ATOM 0 H CYS A 17 1.300 4.629 -7.753 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.313 5.411 -8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.907 3.071 -6.874 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.206 4.182 -6.488 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.072 3.003 -9.680 1.00 0.00 H new ATOM 336 N THR A 18 -1.628 6.739 -6.463 1.00 0.00 N ATOM 337 CA THR A 18 -1.561 7.790 -5.456 1.00 0.00 C ATOM 338 C THR A 18 -1.684 7.213 -4.050 1.00 0.00 C ATOM 339 O THR A 18 -2.584 6.423 -3.769 1.00 0.00 O ATOM 340 CB THR A 18 -2.667 8.841 -5.666 1.00 0.00 C ATOM 341 OG1 THR A 18 -2.577 9.390 -6.986 1.00 0.00 O ATOM 342 CG2 THR A 18 -2.555 9.957 -4.639 1.00 0.00 C ATOM 0 H THR A 18 -2.554 6.603 -6.869 1.00 0.00 H new ATOM 0 HA THR A 18 -0.589 8.270 -5.565 1.00 0.00 H new ATOM 0 HB THR A 18 -3.632 8.350 -5.542 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.285 10.056 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.347 10.687 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.653 9.540 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.585 10.445 -4.736 1.00 0.00 H new ATOM 350 N GLY A 19 -0.773 7.615 -3.168 1.00 0.00 N ATOM 351 CA GLY A 19 -0.799 7.128 -1.802 1.00 0.00 C ATOM 352 C GLY A 19 -2.183 7.198 -1.187 1.00 0.00 C ATOM 353 O GLY A 19 -2.878 8.204 -1.318 1.00 0.00 O ATOM 0 H GLY A 19 -0.018 8.269 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.447 6.097 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.106 7.714 -1.198 1.00 0.00 H new ATOM 357 N GLY A 20 -2.585 6.123 -0.515 1.00 0.00 N ATOM 358 CA GLY A 20 -3.894 6.087 0.110 1.00 0.00 C ATOM 359 C GLY A 20 -4.967 6.721 -0.752 1.00 0.00 C ATOM 360 O GLY A 20 -5.465 7.802 -0.439 1.00 0.00 O ATOM 0 H GLY A 20 -2.028 5.277 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.165 5.052 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.850 6.604 1.068 1.00 0.00 H new ATOM 364 N GLU A 21 -5.322 6.048 -1.842 1.00 0.00 N ATOM 365 CA GLU A 21 -6.341 6.556 -2.754 1.00 0.00 C ATOM 366 C GLU A 21 -7.719 6.011 -2.388 1.00 0.00 C ATOM 367 O GLU A 21 -8.484 5.592 -3.256 1.00 0.00 O ATOM 368 CB GLU A 21 -5.999 6.179 -4.197 1.00 0.00 C ATOM 369 CG GLU A 21 -6.869 6.875 -5.231 1.00 0.00 C ATOM 370 CD GLU A 21 -6.327 6.733 -6.640 1.00 0.00 C ATOM 371 OE1 GLU A 21 -6.284 5.594 -7.147 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.947 7.764 -7.235 1.00 0.00 O ATOM 0 H GLU A 21 -4.920 5.151 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.363 7.642 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.954 6.424 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.101 5.100 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.877 6.462 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.948 7.933 -4.981 1.00 0.00 H new ATOM 437 N ALA A 27 -10.875 -0.142 -10.983 1.00 0.00 N ATOM 438 CA ALA A 27 -9.748 -0.455 -11.852 1.00 0.00 C ATOM 439 C ALA A 27 -9.020 -1.708 -11.377 1.00 0.00 C ATOM 440 O ALA A 27 -8.382 -2.405 -12.167 1.00 0.00 O ATOM 441 CB ALA A 27 -8.787 0.724 -11.916 1.00 0.00 C ATOM 0 HA ALA A 27 -10.135 -0.649 -12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.950 0.476 -12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.308 1.597 -12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.414 0.944 -10.916 1.00 0.00 H new ATOM 447 N LEU A 28 -9.118 -1.988 -10.082 1.00 0.00 N ATOM 448 CA LEU A 28 -8.468 -3.158 -9.501 1.00 0.00 C ATOM 449 C LEU A 28 -9.382 -4.377 -9.566 1.00 0.00 C ATOM 450 O LEU A 28 -8.919 -5.516 -9.503 1.00 0.00 O ATOM 451 CB LEU A 28 -8.074 -2.879 -8.050 1.00 0.00 C ATOM 452 CG LEU A 28 -7.192 -1.651 -7.818 1.00 0.00 C ATOM 453 CD1 LEU A 28 -7.272 -1.203 -6.367 1.00 0.00 C ATOM 454 CD2 LEU A 28 -5.751 -1.948 -8.208 1.00 0.00 C ATOM 0 H LEU A 28 -9.641 -1.421 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.570 -3.369 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.985 -2.763 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.553 -3.754 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.558 -0.840 -8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.638 -0.328 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.303 -0.949 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.932 -2.010 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.138 -1.063 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.374 -2.774 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.708 -2.220 -9.263 1.00 0.00 H new ATOM 466 N ALA A 29 -10.681 -4.131 -9.695 1.00 0.00 N ATOM 467 CA ALA A 29 -11.659 -5.208 -9.773 1.00 0.00 C ATOM 468 C ALA A 29 -11.299 -6.197 -10.877 1.00 0.00 C ATOM 469 O ALA A 29 -11.130 -7.394 -10.640 1.00 0.00 O ATOM 470 CB ALA A 29 -13.052 -4.641 -10.004 1.00 0.00 C ATOM 0 H ALA A 29 -11.081 -3.194 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.650 -5.743 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.772 -5.457 -10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.317 -3.979 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.066 -4.080 -10.938 1.00 0.00 H new ATOM 476 N PRO A 30 -11.180 -5.689 -12.112 1.00 0.00 N ATOM 477 CA PRO A 30 -10.839 -6.511 -13.277 1.00 0.00 C ATOM 478 C PRO A 30 -9.397 -7.006 -13.236 1.00 0.00 C ATOM 479 O PRO A 30 -9.056 -8.009 -13.862 1.00 0.00 O ATOM 480 CB PRO A 30 -11.044 -5.558 -14.457 1.00 0.00 C ATOM 481 CG PRO A 30 -10.858 -4.197 -13.880 1.00 0.00 C ATOM 482 CD PRO A 30 -11.369 -4.273 -12.467 1.00 0.00 C ATOM 0 HA PRO A 30 -11.448 -7.414 -13.330 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.325 -5.753 -15.253 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.038 -5.672 -14.890 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.808 -3.905 -13.900 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.408 -3.451 -14.454 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.811 -3.614 -11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.417 -3.979 -12.402 1.00 0.00 H new ATOM 490 N LYS A 31 -8.555 -6.296 -12.493 1.00 0.00 N ATOM 491 CA LYS A 31 -7.149 -6.664 -12.367 1.00 0.00 C ATOM 492 C LYS A 31 -6.987 -7.907 -11.500 1.00 0.00 C ATOM 493 O LYS A 31 -6.260 -8.835 -11.857 1.00 0.00 O ATOM 494 CB LYS A 31 -6.349 -5.504 -11.769 1.00 0.00 C ATOM 495 CG LYS A 31 -6.305 -4.273 -12.659 1.00 0.00 C ATOM 496 CD LYS A 31 -5.238 -4.400 -13.733 1.00 0.00 C ATOM 497 CE LYS A 31 -3.878 -3.947 -13.225 1.00 0.00 C ATOM 498 NZ LYS A 31 -2.788 -4.285 -14.181 1.00 0.00 N ATOM 0 H LYS A 31 -8.821 -5.462 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.767 -6.886 -13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.784 -5.231 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.330 -5.838 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.278 -4.126 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.107 -3.390 -12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.177 -5.436 -14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.521 -3.803 -14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.893 -2.870 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.675 -4.416 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.877 -3.960 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.757 -5.315 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.968 -3.817 -15.092 1.00 0.00 H new ATOM 512 N ILE A 32 -7.669 -7.921 -10.359 1.00 0.00 N ATOM 513 CA ILE A 32 -7.602 -9.052 -9.443 1.00 0.00 C ATOM 514 C ILE A 32 -8.648 -10.106 -9.793 1.00 0.00 C ATOM 515 O ILE A 32 -8.611 -11.225 -9.284 1.00 0.00 O ATOM 516 CB ILE A 32 -7.808 -8.607 -7.983 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.835 -7.480 -7.629 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.627 -9.787 -7.039 1.00 0.00 C ATOM 519 CD1 ILE A 32 -7.141 -6.811 -6.307 1.00 0.00 C ATOM 0 H ILE A 32 -8.274 -7.161 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.606 -9.483 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.825 -8.232 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.822 -7.882 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.857 -6.730 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.776 -9.457 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.355 -10.561 -7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.620 -10.190 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.412 -6.023 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.141 -6.379 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.091 -7.548 -5.506 1.00 0.00 H new ATOM 531 N GLY A 33 -9.579 -9.740 -10.669 1.00 0.00 N ATOM 532 CA GLY A 33 -10.621 -10.665 -11.074 1.00 0.00 C ATOM 533 C GLY A 33 -10.100 -12.076 -11.268 1.00 0.00 C ATOM 534 O GLY A 33 -10.542 -13.019 -10.611 1.00 0.00 O ATOM 0 H GLY A 33 -9.630 -8.819 -11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.409 -10.672 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.071 -10.316 -12.003 1.00 0.00 H new ATOM 538 N PRO A 34 -9.140 -12.234 -12.190 1.00 0.00 N ATOM 539 CA PRO A 34 -8.538 -13.537 -12.491 1.00 0.00 C ATOM 540 C PRO A 34 -7.665 -14.049 -11.351 1.00 0.00 C ATOM 541 O PRO A 34 -7.534 -15.258 -11.151 1.00 0.00 O ATOM 542 CB PRO A 34 -7.688 -13.256 -13.732 1.00 0.00 C ATOM 543 CG PRO A 34 -7.372 -11.802 -13.655 1.00 0.00 C ATOM 544 CD PRO A 34 -8.566 -11.154 -13.010 1.00 0.00 C ATOM 0 HA PRO A 34 -9.292 -14.310 -12.640 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.780 -13.859 -13.734 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.231 -13.495 -14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.470 -11.629 -13.069 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.192 -11.388 -14.647 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.278 -10.297 -12.401 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.277 -10.792 -13.753 1.00 0.00 H new ATOM 552 N LEU A 35 -7.070 -13.125 -10.606 1.00 0.00 N ATOM 553 CA LEU A 35 -6.208 -13.483 -9.485 1.00 0.00 C ATOM 554 C LEU A 35 -6.984 -14.266 -8.431 1.00 0.00 C ATOM 555 O LEU A 35 -6.626 -15.393 -8.091 1.00 0.00 O ATOM 556 CB LEU A 35 -5.602 -12.226 -8.859 1.00 0.00 C ATOM 557 CG LEU A 35 -4.279 -11.749 -9.458 1.00 0.00 C ATOM 558 CD1 LEU A 35 -4.474 -11.302 -10.898 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.691 -10.621 -8.623 1.00 0.00 C ATOM 0 H LEU A 35 -7.169 -12.121 -10.758 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.405 -14.115 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.328 -11.417 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.451 -12.411 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.578 -12.584 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.521 -10.966 -11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.849 -12.137 -11.490 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.192 -10.482 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.749 -10.294 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.390 -9.785 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.512 -10.975 -7.608 1.00 0.00 H new ATOM 571 N GLY A 36 -8.052 -13.661 -7.918 1.00 0.00 N ATOM 572 CA GLY A 36 -8.863 -14.318 -6.910 1.00 0.00 C ATOM 573 C GLY A 36 -9.167 -13.414 -5.732 1.00 0.00 C ATOM 574 O GLY A 36 -10.330 -13.177 -5.405 1.00 0.00 O ATOM 0 H GLY A 36 -8.369 -12.728 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.798 -14.650 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.346 -15.210 -6.556 1.00 0.00 H new ATOM 578 N LEU A 37 -8.119 -12.908 -5.091 1.00 0.00 N ATOM 579 CA LEU A 37 -8.278 -12.026 -3.940 1.00 0.00 C ATOM 580 C LEU A 37 -9.255 -10.896 -4.251 1.00 0.00 C ATOM 581 O LEU A 37 -9.764 -10.792 -5.367 1.00 0.00 O ATOM 582 CB LEU A 37 -6.925 -11.446 -3.526 1.00 0.00 C ATOM 583 CG LEU A 37 -5.918 -12.440 -2.946 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.261 -13.244 -4.057 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.868 -11.713 -2.118 1.00 0.00 C ATOM 0 H LEU A 37 -7.150 -13.094 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.681 -12.614 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.475 -10.970 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.098 -10.663 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.452 -13.131 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.548 -13.946 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.024 -13.794 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.740 -12.569 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.160 -12.436 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.338 -10.999 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.354 -11.183 -1.299 1.00 0.00 H new ATOM 597 N SER A 38 -9.509 -10.050 -3.258 1.00 0.00 N ATOM 598 CA SER A 38 -10.426 -8.928 -3.425 1.00 0.00 C ATOM 599 C SER A 38 -9.666 -7.606 -3.453 1.00 0.00 C ATOM 600 O SER A 38 -8.677 -7.414 -2.746 1.00 0.00 O ATOM 601 CB SER A 38 -11.458 -8.913 -2.296 1.00 0.00 C ATOM 602 OG SER A 38 -10.826 -8.927 -1.028 1.00 0.00 O ATOM 0 H SER A 38 -9.093 -10.120 -2.329 1.00 0.00 H new ATOM 0 HA SER A 38 -10.942 -9.051 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.085 -8.026 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.115 -9.778 -2.388 1.00 0.00 H new ATOM 0 HG SER A 38 -11.507 -8.915 -0.323 1.00 0.00 H new ATOM 608 N PRO A 39 -10.139 -6.670 -4.290 1.00 0.00 N ATOM 609 CA PRO A 39 -9.521 -5.349 -4.431 1.00 0.00 C ATOM 610 C PRO A 39 -9.719 -4.481 -3.193 1.00 0.00 C ATOM 611 O PRO A 39 -8.870 -3.653 -2.860 1.00 0.00 O ATOM 612 CB PRO A 39 -10.251 -4.742 -5.632 1.00 0.00 C ATOM 613 CG PRO A 39 -11.568 -5.436 -5.665 1.00 0.00 C ATOM 614 CD PRO A 39 -11.314 -6.831 -5.163 1.00 0.00 C ATOM 0 HA PRO A 39 -8.441 -5.416 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.374 -3.665 -5.518 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.695 -4.903 -6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.296 -4.922 -5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.975 -5.453 -6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.171 -7.223 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.115 -7.523 -5.982 1.00 0.00 H new ATOM 622 N LYS A 40 -10.844 -4.675 -2.514 1.00 0.00 N ATOM 623 CA LYS A 40 -11.154 -3.912 -1.311 1.00 0.00 C ATOM 624 C LYS A 40 -10.177 -4.246 -0.188 1.00 0.00 C ATOM 625 O LYS A 40 -9.578 -3.354 0.413 1.00 0.00 O ATOM 626 CB LYS A 40 -12.587 -4.197 -0.856 1.00 0.00 C ATOM 627 CG LYS A 40 -13.241 -3.028 -0.140 1.00 0.00 C ATOM 628 CD LYS A 40 -14.393 -3.487 0.738 1.00 0.00 C ATOM 629 CE LYS A 40 -15.600 -3.896 -0.093 1.00 0.00 C ATOM 630 NZ LYS A 40 -16.372 -2.714 -0.567 1.00 0.00 N ATOM 0 H LYS A 40 -11.557 -5.355 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.059 -2.852 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.189 -4.463 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.584 -5.062 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.499 -2.513 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.605 -2.308 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.071 -4.328 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.674 -2.684 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.269 -4.482 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.249 -4.539 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.186 -3.034 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.709 -2.169 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.760 -2.113 -1.155 1.00 0.00 H new ATOM 644 N LYS A 41 -10.019 -5.536 0.088 1.00 0.00 N ATOM 645 CA LYS A 41 -9.112 -5.988 1.137 1.00 0.00 C ATOM 646 C LYS A 41 -7.681 -5.550 0.845 1.00 0.00 C ATOM 647 O LYS A 41 -6.987 -5.035 1.722 1.00 0.00 O ATOM 648 CB LYS A 41 -9.174 -7.512 1.270 1.00 0.00 C ATOM 649 CG LYS A 41 -8.555 -8.036 2.554 1.00 0.00 C ATOM 650 CD LYS A 41 -8.429 -9.550 2.535 1.00 0.00 C ATOM 651 CE LYS A 41 -7.102 -9.991 1.939 1.00 0.00 C ATOM 652 NZ LYS A 41 -7.112 -11.434 1.569 1.00 0.00 N ATOM 0 H LYS A 41 -10.507 -6.287 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.427 -5.534 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.215 -7.830 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.663 -7.964 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.570 -7.590 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.166 -7.731 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.519 -9.936 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.249 -9.977 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.883 -9.391 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.302 -9.805 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.189 -11.696 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.295 -12.008 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.858 -11.607 0.866 1.00 0.00 H new ATOM 666 N VAL A 42 -7.244 -5.757 -0.394 1.00 0.00 N ATOM 667 CA VAL A 42 -5.896 -5.381 -0.802 1.00 0.00 C ATOM 668 C VAL A 42 -5.731 -3.865 -0.823 1.00 0.00 C ATOM 669 O VAL A 42 -4.698 -3.337 -0.416 1.00 0.00 O ATOM 670 CB VAL A 42 -5.554 -5.943 -2.194 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.167 -5.492 -2.626 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.654 -7.461 -2.194 1.00 0.00 C ATOM 0 H VAL A 42 -7.804 -6.183 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.212 -5.808 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.276 -5.554 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.943 -5.899 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.135 -4.403 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.428 -5.850 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.409 -7.842 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.956 -7.872 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.669 -7.759 -1.932 1.00 0.00 H new ATOM 682 N GLY A 43 -6.759 -3.170 -1.302 1.00 0.00 N ATOM 683 CA GLY A 43 -6.708 -1.721 -1.368 1.00 0.00 C ATOM 684 C GLY A 43 -6.569 -1.083 0.000 1.00 0.00 C ATOM 685 O GLY A 43 -5.852 -0.096 0.162 1.00 0.00 O ATOM 0 H GLY A 43 -7.625 -3.585 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.868 -1.418 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.614 -1.350 -1.848 1.00 0.00 H new ATOM 689 N ASP A 44 -7.258 -1.647 0.987 1.00 0.00 N ATOM 690 CA ASP A 44 -7.208 -1.126 2.348 1.00 0.00 C ATOM 691 C ASP A 44 -5.824 -1.325 2.956 1.00 0.00 C ATOM 692 O ASP A 44 -5.293 -0.435 3.621 1.00 0.00 O ATOM 693 CB ASP A 44 -8.264 -1.812 3.217 1.00 0.00 C ATOM 694 CG ASP A 44 -7.896 -1.806 4.688 1.00 0.00 C ATOM 695 OD1 ASP A 44 -8.033 -0.743 5.329 1.00 0.00 O ATOM 696 OD2 ASP A 44 -7.469 -2.863 5.198 1.00 0.00 O ATOM 0 H ASP A 44 -7.857 -2.464 0.870 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.417 -0.057 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.222 -1.310 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.393 -2.841 2.882 1.00 0.00 H new ATOM 701 N ASP A 45 -5.244 -2.498 2.724 1.00 0.00 N ATOM 702 CA ASP A 45 -3.921 -2.814 3.249 1.00 0.00 C ATOM 703 C ASP A 45 -2.893 -1.787 2.785 1.00 0.00 C ATOM 704 O ASP A 45 -2.041 -1.353 3.562 1.00 0.00 O ATOM 705 CB ASP A 45 -3.495 -4.215 2.807 1.00 0.00 C ATOM 706 CG ASP A 45 -3.969 -5.293 3.762 1.00 0.00 C ATOM 707 OD1 ASP A 45 -5.075 -5.143 4.323 1.00 0.00 O ATOM 708 OD2 ASP A 45 -3.234 -6.285 3.951 1.00 0.00 O ATOM 0 H ASP A 45 -5.670 -3.245 2.176 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.972 -2.784 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.892 -4.415 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.408 -4.254 2.730 1.00 0.00 H new ATOM 713 N ILE A 46 -2.978 -1.403 1.516 1.00 0.00 N ATOM 714 CA ILE A 46 -2.056 -0.427 0.950 1.00 0.00 C ATOM 715 C ILE A 46 -2.309 0.965 1.521 1.00 0.00 C ATOM 716 O ILE A 46 -1.372 1.692 1.850 1.00 0.00 O ATOM 717 CB ILE A 46 -2.169 -0.368 -0.585 1.00 0.00 C ATOM 718 CG1 ILE A 46 -1.809 -1.724 -1.196 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.271 0.726 -1.141 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.468 -1.978 -2.534 1.00 0.00 C ATOM 0 H ILE A 46 -3.676 -1.753 0.860 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.051 -0.751 1.220 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.200 -0.133 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.727 -1.784 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.097 -2.514 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.362 0.755 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.570 1.688 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.236 0.520 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.168 -2.957 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.551 -1.951 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.160 -1.209 -3.243 1.00 0.00 H new ATOM 732 N ALA A 47 -3.582 1.328 1.636 1.00 0.00 N ATOM 733 CA ALA A 47 -3.960 2.630 2.171 1.00 0.00 C ATOM 734 C ALA A 47 -3.437 2.813 3.591 1.00 0.00 C ATOM 735 O ALA A 47 -2.907 3.869 3.938 1.00 0.00 O ATOM 736 CB ALA A 47 -5.472 2.797 2.137 1.00 0.00 C ATOM 0 H ALA A 47 -4.369 0.738 1.366 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.507 3.398 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.739 3.774 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.824 2.720 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.938 2.017 2.739 1.00 0.00 H new ATOM 742 N LYS A 48 -3.590 1.779 4.411 1.00 0.00 N ATOM 743 CA LYS A 48 -3.133 1.824 5.795 1.00 0.00 C ATOM 744 C LYS A 48 -1.612 1.915 5.863 1.00 0.00 C ATOM 745 O LYS A 48 -1.059 2.575 6.742 1.00 0.00 O ATOM 746 CB LYS A 48 -3.615 0.585 6.553 1.00 0.00 C ATOM 747 CG LYS A 48 -3.087 -0.720 5.985 1.00 0.00 C ATOM 748 CD LYS A 48 -3.294 -1.874 6.952 1.00 0.00 C ATOM 749 CE LYS A 48 -2.280 -1.840 8.085 1.00 0.00 C ATOM 750 NZ LYS A 48 -2.805 -2.488 9.318 1.00 0.00 N ATOM 0 H LYS A 48 -4.028 0.898 4.141 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.554 2.715 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.311 0.667 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.705 0.563 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.591 -0.938 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.025 -0.617 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.302 -1.829 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.210 -2.819 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.367 -2.345 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.014 -0.806 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.085 -2.444 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.662 -1.991 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.035 -3.482 9.117 1.00 0.00 H new ATOM 764 N ALA A 49 -0.942 1.249 4.928 1.00 0.00 N ATOM 765 CA ALA A 49 0.515 1.258 4.881 1.00 0.00 C ATOM 766 C ALA A 49 1.041 2.613 4.418 1.00 0.00 C ATOM 767 O ALA A 49 2.025 3.125 4.953 1.00 0.00 O ATOM 768 CB ALA A 49 1.020 0.153 3.965 1.00 0.00 C ATOM 0 H ALA A 49 -1.385 0.697 4.193 1.00 0.00 H new ATOM 0 HA ALA A 49 0.888 1.078 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.110 0.171 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.682 -0.813 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.631 0.308 2.959 1.00 0.00 H new ATOM 774 N THR A 50 0.379 3.190 3.420 1.00 0.00 N ATOM 775 CA THR A 50 0.781 4.484 2.884 1.00 0.00 C ATOM 776 C THR A 50 -0.010 5.616 3.529 1.00 0.00 C ATOM 777 O THR A 50 -0.157 6.692 2.952 1.00 0.00 O ATOM 778 CB THR A 50 0.588 4.544 1.357 1.00 0.00 C ATOM 779 OG1 THR A 50 -0.804 4.670 1.043 1.00 0.00 O ATOM 780 CG2 THR A 50 1.152 3.299 0.690 1.00 0.00 C ATOM 0 H THR A 50 -0.438 2.781 2.967 1.00 0.00 H new ATOM 0 HA THR A 50 1.839 4.606 3.114 1.00 0.00 H new ATOM 0 HB THR A 50 1.126 5.414 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.257 3.818 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.004 3.365 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.218 3.222 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.639 2.417 1.074 1.00 0.00 H new ATOM 788 N GLY A 51 -0.518 5.366 4.733 1.00 0.00 N ATOM 789 CA GLY A 51 -1.287 6.375 5.437 1.00 0.00 C ATOM 790 C GLY A 51 -0.434 7.542 5.892 1.00 0.00 C ATOM 791 O GLY A 51 -0.893 8.685 5.912 1.00 0.00 O ATOM 0 H GLY A 51 -0.410 4.483 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.081 6.741 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.768 5.921 6.303 1.00 0.00 H new ATOM 795 N ASP A 52 0.810 7.256 6.258 1.00 0.00 N ATOM 796 CA ASP A 52 1.730 8.292 6.716 1.00 0.00 C ATOM 797 C ASP A 52 2.132 9.208 5.564 1.00 0.00 C ATOM 798 O ASP A 52 2.460 10.376 5.774 1.00 0.00 O ATOM 799 CB ASP A 52 2.975 7.659 7.339 1.00 0.00 C ATOM 800 CG ASP A 52 2.646 6.443 8.183 1.00 0.00 C ATOM 801 OD1 ASP A 52 1.648 6.495 8.932 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.387 5.442 8.096 1.00 0.00 O ATOM 0 H ASP A 52 1.205 6.316 6.247 1.00 0.00 H new ATOM 0 HA ASP A 52 1.220 8.890 7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.668 7.372 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.485 8.399 7.956 1.00 0.00 H new ATOM 807 N TRP A 53 2.105 8.671 4.350 1.00 0.00 N ATOM 808 CA TRP A 53 2.468 9.441 3.166 1.00 0.00 C ATOM 809 C TRP A 53 1.373 9.359 2.107 1.00 0.00 C ATOM 810 O TRP A 53 1.647 9.103 0.935 1.00 0.00 O ATOM 811 CB TRP A 53 3.791 8.935 2.589 1.00 0.00 C ATOM 812 CG TRP A 53 3.935 7.444 2.652 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.450 6.535 1.756 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.607 6.691 3.667 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.781 5.262 2.152 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.492 5.330 3.321 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.298 7.033 4.833 1.00 0.00 C ATOM 818 CZ2 TRP A 53 5.040 4.315 4.101 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.841 6.024 5.606 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.710 4.679 5.237 1.00 0.00 C ATOM 0 H TRP A 53 1.836 7.706 4.159 1.00 0.00 H new ATOM 0 HA TRP A 53 2.584 10.483 3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.873 9.257 1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.616 9.396 3.132 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.889 6.781 0.867 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.537 4.405 1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.406 8.067 5.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.940 3.277 3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.375 6.277 6.510 1.00 0.00 H new ATOM 0 HH2 TRP A 53 6.147 3.914 5.862 1.00 0.00 H new ATOM 831 N LYS A 54 0.132 9.580 2.527 1.00 0.00 N ATOM 832 CA LYS A 54 -1.005 9.533 1.615 1.00 0.00 C ATOM 833 C LYS A 54 -1.112 10.826 0.813 1.00 0.00 C ATOM 834 O LYS A 54 -1.335 11.898 1.373 1.00 0.00 O ATOM 835 CB LYS A 54 -2.300 9.294 2.394 1.00 0.00 C ATOM 836 CG LYS A 54 -2.575 10.346 3.454 1.00 0.00 C ATOM 837 CD LYS A 54 -3.778 9.978 4.307 1.00 0.00 C ATOM 838 CE LYS A 54 -4.004 10.991 5.418 1.00 0.00 C ATOM 839 NZ LYS A 54 -3.093 10.760 6.574 1.00 0.00 N ATOM 0 H LYS A 54 -0.112 9.794 3.494 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.849 8.707 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.135 9.268 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.252 8.315 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.698 10.460 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.749 11.310 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.667 9.921 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.630 8.989 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.849 11.997 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.039 10.936 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.643 10.410 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.373 10.056 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.626 11.653 6.832 1.00 0.00 H new ATOM 853 N GLY A 55 -0.954 10.716 -0.503 1.00 0.00 N ATOM 854 CA GLY A 55 -1.038 11.883 -1.360 1.00 0.00 C ATOM 855 C GLY A 55 0.182 12.042 -2.245 1.00 0.00 C ATOM 856 O GLY A 55 0.095 12.598 -3.341 1.00 0.00 O ATOM 0 H GLY A 55 -0.769 9.839 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.928 11.808 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.155 12.775 -0.744 1.00 0.00 H new ATOM 860 N LEU A 56 1.323 11.554 -1.771 1.00 0.00 N ATOM 861 CA LEU A 56 2.567 11.645 -2.526 1.00 0.00 C ATOM 862 C LEU A 56 2.744 10.431 -3.433 1.00 0.00 C ATOM 863 O LEU A 56 2.227 9.351 -3.148 1.00 0.00 O ATOM 864 CB LEU A 56 3.758 11.763 -1.573 1.00 0.00 C ATOM 865 CG LEU A 56 3.637 12.818 -0.474 1.00 0.00 C ATOM 866 CD1 LEU A 56 4.467 12.424 0.738 1.00 0.00 C ATOM 867 CD2 LEU A 56 4.063 14.183 -0.995 1.00 0.00 C ATOM 0 H LEU A 56 1.412 11.091 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 56 2.520 12.537 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.918 10.793 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.649 11.982 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 56 2.592 12.879 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.368 13.187 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.114 11.468 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.514 12.334 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.970 14.922 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.100 14.138 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.425 14.469 -1.831 1.00 0.00 H new ATOM 879 N ARG A 57 3.480 10.617 -4.524 1.00 0.00 N ATOM 880 CA ARG A 57 3.726 9.536 -5.472 1.00 0.00 C ATOM 881 C ARG A 57 4.827 8.609 -4.965 1.00 0.00 C ATOM 882 O ARG A 57 5.928 9.054 -4.642 1.00 0.00 O ATOM 883 CB ARG A 57 4.114 10.106 -6.838 1.00 0.00 C ATOM 884 CG ARG A 57 3.884 9.140 -7.988 1.00 0.00 C ATOM 885 CD ARG A 57 4.890 9.357 -9.108 1.00 0.00 C ATOM 886 NE ARG A 57 4.406 10.313 -10.100 1.00 0.00 N ATOM 887 CZ ARG A 57 5.153 10.784 -11.092 1.00 0.00 C ATOM 888 NH1 ARG A 57 6.412 10.390 -11.223 1.00 0.00 N ATOM 889 NH2 ARG A 57 4.641 11.651 -11.956 1.00 0.00 N ATOM 0 H ARG A 57 3.916 11.505 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 57 2.807 8.959 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.541 11.016 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.166 10.390 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.958 8.115 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.873 9.268 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.829 9.715 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.102 8.405 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 57 3.441 10.637 -10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.809 9.723 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.983 10.753 -11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.673 11.957 -11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.216 12.012 -12.717 1.00 0.00 H new ATOM 903 N ILE A 58 4.520 7.318 -4.896 1.00 0.00 N ATOM 904 CA ILE A 58 5.482 6.328 -4.429 1.00 0.00 C ATOM 905 C ILE A 58 5.327 5.011 -5.183 1.00 0.00 C ATOM 906 O ILE A 58 4.283 4.742 -5.778 1.00 0.00 O ATOM 907 CB ILE A 58 5.330 6.063 -2.920 1.00 0.00 C ATOM 908 CG1 ILE A 58 3.852 5.913 -2.553 1.00 0.00 C ATOM 909 CG2 ILE A 58 5.969 7.187 -2.118 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.315 4.516 -2.770 1.00 0.00 C ATOM 0 H ILE A 58 3.612 6.933 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 58 6.474 6.738 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 58 5.842 5.132 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.716 6.187 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.266 6.615 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.853 6.985 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.029 7.251 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.483 8.131 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.262 4.483 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.419 4.245 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.876 3.811 -2.157 1.00 0.00 H new ATOM 922 N THR A 59 6.373 4.192 -5.153 1.00 0.00 N ATOM 923 CA THR A 59 6.354 2.903 -5.833 1.00 0.00 C ATOM 924 C THR A 59 6.162 1.761 -4.841 1.00 0.00 C ATOM 925 O THR A 59 6.806 1.721 -3.793 1.00 0.00 O ATOM 926 CB THR A 59 7.653 2.666 -6.626 1.00 0.00 C ATOM 927 OG1 THR A 59 7.781 3.647 -7.661 1.00 0.00 O ATOM 928 CG2 THR A 59 7.668 1.272 -7.237 1.00 0.00 C ATOM 0 H THR A 59 7.244 4.398 -4.665 1.00 0.00 H new ATOM 0 HA THR A 59 5.513 2.924 -6.526 1.00 0.00 H new ATOM 0 HB THR A 59 8.494 2.753 -5.938 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.610 3.490 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.595 1.128 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.600 0.527 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.820 1.162 -7.913 1.00 0.00 H new ATOM 936 N VAL A 60 5.272 0.833 -5.179 1.00 0.00 N ATOM 937 CA VAL A 60 4.997 -0.311 -4.318 1.00 0.00 C ATOM 938 C VAL A 60 5.151 -1.622 -5.081 1.00 0.00 C ATOM 939 O VAL A 60 4.756 -1.729 -6.242 1.00 0.00 O ATOM 940 CB VAL A 60 3.577 -0.239 -3.726 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.288 -1.470 -2.880 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.405 1.032 -2.909 1.00 0.00 C ATOM 0 H VAL A 60 4.729 0.851 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 60 5.724 -0.278 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 60 2.860 -0.216 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.280 -1.401 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.368 -2.364 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.008 -1.528 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.396 1.067 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.129 1.042 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.566 1.900 -3.548 1.00 0.00 H new ATOM 952 N LYS A 61 5.729 -2.620 -4.420 1.00 0.00 N ATOM 953 CA LYS A 61 5.936 -3.926 -5.034 1.00 0.00 C ATOM 954 C LYS A 61 4.986 -4.962 -4.441 1.00 0.00 C ATOM 955 O LYS A 61 4.974 -5.186 -3.229 1.00 0.00 O ATOM 956 CB LYS A 61 7.385 -4.379 -4.843 1.00 0.00 C ATOM 957 CG LYS A 61 7.902 -4.185 -3.428 1.00 0.00 C ATOM 958 CD LYS A 61 9.232 -4.890 -3.218 1.00 0.00 C ATOM 959 CE LYS A 61 9.049 -6.393 -3.078 1.00 0.00 C ATOM 960 NZ LYS A 61 10.353 -7.112 -3.076 1.00 0.00 N ATOM 0 H LYS A 61 6.062 -2.549 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 61 5.728 -3.836 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.465 -5.433 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.023 -3.827 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.018 -3.120 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.170 -4.568 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.893 -4.680 -4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.717 -4.496 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.514 -6.609 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.432 -6.762 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.186 -8.134 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.853 -6.926 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.932 -6.779 -2.279 1.00 0.00 H new ATOM 974 N LEU A 62 4.193 -5.592 -5.300 1.00 0.00 N ATOM 975 CA LEU A 62 3.241 -6.606 -4.861 1.00 0.00 C ATOM 976 C LEU A 62 3.716 -8.003 -5.248 1.00 0.00 C ATOM 977 O LEU A 62 3.834 -8.325 -6.431 1.00 0.00 O ATOM 978 CB LEU A 62 1.863 -6.337 -5.468 1.00 0.00 C ATOM 979 CG LEU A 62 1.298 -4.932 -5.254 1.00 0.00 C ATOM 980 CD1 LEU A 62 0.098 -4.696 -6.158 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.918 -4.727 -3.795 1.00 0.00 C ATOM 0 H LEU A 62 4.190 -5.419 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 62 3.169 -6.555 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.917 -6.526 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.158 -7.057 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 62 2.070 -4.207 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.291 -3.691 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.401 -4.800 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.678 -5.427 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.518 -3.722 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.163 -5.459 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.801 -4.853 -3.168 1.00 0.00 H new ATOM 993 N THR A 63 3.985 -8.831 -4.243 1.00 0.00 N ATOM 994 CA THR A 63 4.446 -10.194 -4.478 1.00 0.00 C ATOM 995 C THR A 63 3.377 -11.209 -4.091 1.00 0.00 C ATOM 996 O THR A 63 2.957 -11.273 -2.936 1.00 0.00 O ATOM 997 CB THR A 63 5.734 -10.495 -3.689 1.00 0.00 C ATOM 998 OG1 THR A 63 6.759 -9.562 -4.049 1.00 0.00 O ATOM 999 CG2 THR A 63 6.214 -11.913 -3.958 1.00 0.00 C ATOM 0 H THR A 63 3.891 -8.581 -3.258 1.00 0.00 H new ATOM 0 HA THR A 63 4.655 -10.278 -5.545 1.00 0.00 H new ATOM 0 HB THR A 63 5.514 -10.399 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.631 -9.907 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.125 -12.103 -3.390 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.443 -12.622 -3.655 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.418 -12.032 -5.022 1.00 0.00 H new ATOM 1007 N ILE A 64 2.941 -12.002 -5.065 1.00 0.00 N ATOM 1008 CA ILE A 64 1.922 -13.017 -4.824 1.00 0.00 C ATOM 1009 C ILE A 64 2.543 -14.406 -4.721 1.00 0.00 C ATOM 1010 O ILE A 64 3.195 -14.875 -5.654 1.00 0.00 O ATOM 1011 CB ILE A 64 0.860 -13.023 -5.940 1.00 0.00 C ATOM 1012 CG1 ILE A 64 0.070 -11.713 -5.928 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.073 -14.213 -5.775 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -0.913 -11.611 -4.783 1.00 0.00 C ATOM 0 H ILE A 64 3.277 -11.961 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 64 1.443 -12.765 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 64 1.364 -13.112 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.768 -10.878 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.470 -11.615 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.818 -14.204 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.503 -15.137 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.573 -14.152 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.437 -10.657 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.634 -12.426 -4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.377 -11.677 -3.836 1.00 0.00 H new ATOM 1026 N GLN A 65 2.335 -15.058 -3.582 1.00 0.00 N ATOM 1027 CA GLN A 65 2.873 -16.395 -3.358 1.00 0.00 C ATOM 1028 C GLN A 65 1.933 -17.221 -2.487 1.00 0.00 C ATOM 1029 O GLN A 65 1.790 -16.963 -1.293 1.00 0.00 O ATOM 1030 CB GLN A 65 4.252 -16.308 -2.701 1.00 0.00 C ATOM 1031 CG GLN A 65 5.167 -17.470 -3.053 1.00 0.00 C ATOM 1032 CD GLN A 65 5.805 -17.317 -4.420 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.315 -16.251 -4.764 1.00 0.00 O ATOM 1034 NE2 GLN A 65 5.780 -18.386 -5.207 1.00 0.00 N ATOM 0 H GLN A 65 1.798 -14.683 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 65 2.969 -16.888 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.730 -15.376 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.128 -16.269 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.949 -17.553 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.597 -18.398 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.346 -19.250 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.194 -18.344 -6.138 1.00 0.00 H new ATOM 1043 N ASN A 66 1.294 -18.216 -3.095 1.00 0.00 N ATOM 1044 CA ASN A 66 0.366 -19.081 -2.374 1.00 0.00 C ATOM 1045 C ASN A 66 -0.891 -18.315 -1.973 1.00 0.00 C ATOM 1046 O ASN A 66 -1.268 -18.291 -0.802 1.00 0.00 O ATOM 1047 CB ASN A 66 1.040 -19.664 -1.131 1.00 0.00 C ATOM 1048 CG ASN A 66 2.407 -20.246 -1.433 1.00 0.00 C ATOM 1049 OD1 ASN A 66 3.432 -19.687 -1.043 1.00 0.00 O ATOM 1050 ND2 ASN A 66 2.428 -21.374 -2.133 1.00 0.00 N ATOM 0 H ASN A 66 1.401 -18.443 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 66 0.077 -19.896 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.139 -18.884 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.403 -20.440 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.319 -21.812 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.553 -21.803 -2.436 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.536 -17.692 -2.954 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.750 -16.925 -2.704 1.00 0.00 C ATOM 1059 C ARG A 67 -2.545 -15.942 -1.555 1.00 0.00 C ATOM 1060 O ARG A 67 -3.392 -15.821 -0.671 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.915 -17.863 -2.384 1.00 0.00 C ATOM 1062 CG ARG A 67 -4.306 -18.766 -3.543 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.633 -19.462 -3.285 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.771 -18.625 -3.655 1.00 0.00 N ATOM 1065 CZ ARG A 67 -7.077 -18.315 -4.910 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.335 -18.771 -5.910 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -8.129 -17.549 -5.168 1.00 0.00 N ATOM 0 H ARG A 67 -1.238 -17.704 -3.929 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.985 -16.360 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.648 -18.481 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.780 -17.268 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.375 -18.177 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.528 -19.512 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.669 -20.394 -3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.705 -19.726 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.363 -18.259 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.526 -19.362 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.573 -18.531 -6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.704 -17.197 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.363 -17.312 -6.132 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.415 -15.242 -1.576 1.00 0.00 N ATOM 1082 CA GLN A 68 -1.099 -14.271 -0.535 1.00 0.00 C ATOM 1083 C GLN A 68 -0.623 -12.956 -1.144 1.00 0.00 C ATOM 1084 O GLN A 68 0.149 -12.949 -2.103 1.00 0.00 O ATOM 1085 CB GLN A 68 -0.029 -14.829 0.404 1.00 0.00 C ATOM 1086 CG GLN A 68 -0.572 -15.813 1.428 1.00 0.00 C ATOM 1087 CD GLN A 68 -1.453 -15.147 2.467 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -1.535 -13.921 2.535 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -2.118 -15.955 3.284 1.00 0.00 N ATOM 0 H GLN A 68 -0.704 -15.329 -2.302 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.008 -14.078 0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.741 -15.322 -0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.451 -14.002 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.143 -16.587 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.261 -16.309 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.020 -16.966 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.726 -15.565 4.004 1.00 0.00 H new ATOM 1098 N ALA A 69 -1.088 -11.846 -0.581 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.708 -10.526 -1.067 1.00 0.00 C ATOM 1100 C ALA A 69 0.121 -9.776 -0.030 1.00 0.00 C ATOM 1101 O ALA A 69 -0.294 -9.629 1.120 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.946 -9.723 -1.437 1.00 0.00 C ATOM 0 H ALA A 69 -1.729 -11.835 0.213 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.094 -10.658 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.647 -8.739 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.498 -10.245 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.582 -9.609 -0.559 1.00 0.00 H new ATOM 1108 N GLN A 70 1.293 -9.305 -0.443 1.00 0.00 N ATOM 1109 CA GLN A 70 2.180 -8.572 0.452 1.00 0.00 C ATOM 1110 C GLN A 70 2.472 -7.177 -0.092 1.00 0.00 C ATOM 1111 O GLN A 70 2.726 -7.007 -1.285 1.00 0.00 O ATOM 1112 CB GLN A 70 3.488 -9.339 0.650 1.00 0.00 C ATOM 1113 CG GLN A 70 4.424 -8.696 1.661 1.00 0.00 C ATOM 1114 CD GLN A 70 3.990 -8.936 3.093 1.00 0.00 C ATOM 1115 OE1 GLN A 70 2.960 -9.562 3.345 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.775 -8.438 4.041 1.00 0.00 N ATOM 0 H GLN A 70 1.650 -9.418 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 70 1.679 -8.469 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.259 -10.354 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.001 -9.419 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.431 -9.089 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.472 -7.623 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.620 -7.926 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.534 -8.568 5.023 1.00 0.00 H new ATOM 1125 N ILE A 71 2.433 -6.183 0.789 1.00 0.00 N ATOM 1126 CA ILE A 71 2.694 -4.804 0.395 1.00 0.00 C ATOM 1127 C ILE A 71 3.978 -4.285 1.034 1.00 0.00 C ATOM 1128 O ILE A 71 4.223 -4.499 2.220 1.00 0.00 O ATOM 1129 CB ILE A 71 1.528 -3.877 0.785 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.240 -3.987 2.284 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.286 -4.219 -0.024 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.277 -2.937 2.793 1.00 0.00 C ATOM 0 H ILE A 71 2.223 -6.307 1.780 1.00 0.00 H new ATOM 0 HA ILE A 71 2.803 -4.800 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 71 1.811 -2.848 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.832 -4.975 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.178 -3.905 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.529 -3.555 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.498 -4.095 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.002 -5.252 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.119 -3.076 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.692 -1.945 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.675 -3.033 2.271 1.00 0.00 H new ATOM 1144 N GLU A 72 4.792 -3.598 0.238 1.00 0.00 N ATOM 1145 CA GLU A 72 6.050 -3.047 0.727 1.00 0.00 C ATOM 1146 C GLU A 72 6.421 -1.778 -0.035 1.00 0.00 C ATOM 1147 O GLU A 72 6.219 -1.686 -1.246 1.00 0.00 O ATOM 1148 CB GLU A 72 7.171 -4.080 0.595 1.00 0.00 C ATOM 1149 CG GLU A 72 8.451 -3.685 1.313 1.00 0.00 C ATOM 1150 CD GLU A 72 9.621 -4.581 0.956 1.00 0.00 C ATOM 1151 OE1 GLU A 72 9.657 -5.730 1.444 1.00 0.00 O ATOM 1152 OE2 GLU A 72 10.500 -4.134 0.191 1.00 0.00 O ATOM 0 H GLU A 72 4.603 -3.410 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 72 5.921 -2.794 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.823 -5.034 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.390 -4.233 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.699 -2.653 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.285 -3.722 2.390 1.00 0.00 H new ATOM 1159 N VAL A 73 6.964 -0.800 0.683 1.00 0.00 N ATOM 1160 CA VAL A 73 7.364 0.464 0.075 1.00 0.00 C ATOM 1161 C VAL A 73 8.868 0.505 -0.168 1.00 0.00 C ATOM 1162 O VAL A 73 9.658 0.108 0.689 1.00 0.00 O ATOM 1163 CB VAL A 73 6.964 1.662 0.957 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.430 2.966 0.329 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.460 1.677 1.184 1.00 0.00 C ATOM 0 H VAL A 73 7.137 -0.859 1.686 1.00 0.00 H new ATOM 0 HA VAL A 73 6.843 0.535 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 73 7.453 1.558 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.139 3.801 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.515 2.952 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.971 3.081 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.195 2.530 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.948 1.757 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.158 0.755 1.681 1.00 0.00 H new ATOM 1175 N VAL A 74 9.259 0.990 -1.342 1.00 0.00 N ATOM 1176 CA VAL A 74 10.670 1.085 -1.698 1.00 0.00 C ATOM 1177 C VAL A 74 11.238 2.452 -1.332 1.00 0.00 C ATOM 1178 O VAL A 74 10.560 3.477 -1.417 1.00 0.00 O ATOM 1179 CB VAL A 74 10.887 0.838 -3.203 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.378 -0.540 -3.596 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.206 1.922 -4.024 1.00 0.00 C ATOM 0 H VAL A 74 8.619 1.323 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 74 11.192 0.314 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 74 11.956 0.876 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.539 -0.697 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.916 -1.301 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.313 -0.611 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.370 1.732 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.136 1.918 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.624 2.894 -3.761 1.00 0.00 H new ATOM 1191 N PRO A 75 12.513 2.471 -0.915 1.00 0.00 N ATOM 1192 CA PRO A 75 13.201 3.706 -0.529 1.00 0.00 C ATOM 1193 C PRO A 75 13.475 4.615 -1.722 1.00 0.00 C ATOM 1194 O PRO A 75 13.585 5.832 -1.575 1.00 0.00 O ATOM 1195 CB PRO A 75 14.516 3.205 0.075 1.00 0.00 C ATOM 1196 CG PRO A 75 14.744 1.878 -0.563 1.00 0.00 C ATOM 1197 CD PRO A 75 13.380 1.288 -0.790 1.00 0.00 C ATOM 0 HA PRO A 75 12.603 4.309 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.336 3.892 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.445 3.116 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.284 1.985 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.346 1.235 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.353 0.673 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.074 0.652 0.040 1.00 0.00 H new