USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 LYS NZ :NH3+ 158:sc= -0.964 (180deg=-1.92) USER MOD Single : A 16 MET CE :methyl -131:sc= -0.233 (180deg=-0.698) USER MOD Single : A 17 TYR OH : rot 158:sc= 0.26 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.274 K(o=-0.27,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.54) USER MOD Single : A 36 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=-0.059) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.202) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= 0.00816 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.26 K(o=0.26,f=-4.9!) USER MOD Single : A 53 SER OG : rot -76:sc= 0.375 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.243) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -29:sc= 0.802 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.05) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -5.719 -17.566 -0.296 1.00 0.00 N ATOM 228 CA LEU A 13 -5.782 -16.125 -0.446 1.00 0.00 C ATOM 229 C LEU A 13 -5.521 -15.750 -1.904 1.00 0.00 C ATOM 230 O LEU A 13 -4.544 -16.211 -2.492 1.00 0.00 O ATOM 231 CB LEU A 13 -4.829 -15.389 0.504 1.00 0.00 C ATOM 232 CG LEU A 13 -3.413 -15.957 0.671 1.00 0.00 C ATOM 233 CD1 LEU A 13 -2.471 -14.786 0.974 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.348 -16.943 1.846 1.00 0.00 C ATOM 0 HA LEU A 13 -6.785 -15.803 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.739 -14.359 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.296 -15.355 1.488 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.129 -16.482 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.455 -15.159 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.498 -14.074 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.790 -14.290 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.333 -17.330 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.629 -16.431 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.036 -17.769 1.666 1.00 0.00 H new ATOM 246 N LYS A 14 -6.402 -14.917 -2.471 1.00 0.00 N ATOM 247 CA LYS A 14 -6.306 -14.430 -3.840 1.00 0.00 C ATOM 248 C LYS A 14 -5.751 -13.006 -3.848 1.00 0.00 C ATOM 249 O LYS A 14 -5.673 -12.346 -2.814 1.00 0.00 O ATOM 250 CB LYS A 14 -7.659 -14.561 -4.555 1.00 0.00 C ATOM 251 CG LYS A 14 -8.710 -13.574 -4.041 1.00 0.00 C ATOM 252 CD LYS A 14 -8.754 -12.268 -4.846 1.00 0.00 C ATOM 253 CE LYS A 14 -9.340 -11.124 -4.023 1.00 0.00 C ATOM 254 NZ LYS A 14 -8.443 -10.778 -2.937 1.00 0.00 N ATOM 0 H LYS A 14 -7.217 -14.559 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.605 -15.045 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.515 -14.404 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.032 -15.577 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.691 -14.047 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.503 -13.343 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.747 -12.005 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.352 -12.414 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.504 -10.255 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.312 -11.414 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.638 -9.806 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.589 -11.435 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.458 -10.845 -3.265 1.00 0.00 H new ATOM 267 N ARG A 15 -5.354 -12.549 -5.036 1.00 0.00 N ATOM 268 CA ARG A 15 -4.671 -11.294 -5.259 1.00 0.00 C ATOM 269 C ARG A 15 -5.658 -10.229 -5.731 1.00 0.00 C ATOM 270 O ARG A 15 -6.002 -10.180 -6.911 1.00 0.00 O ATOM 271 CB ARG A 15 -3.568 -11.561 -6.284 1.00 0.00 C ATOM 272 CG ARG A 15 -2.767 -10.309 -6.628 1.00 0.00 C ATOM 273 CD ARG A 15 -1.556 -10.722 -7.466 1.00 0.00 C ATOM 274 NE ARG A 15 -0.714 -9.568 -7.816 1.00 0.00 N ATOM 275 CZ ARG A 15 0.632 -9.525 -7.807 1.00 0.00 C ATOM 276 NH1 ARG A 15 1.372 -10.525 -7.298 1.00 0.00 N ATOM 277 NH2 ARG A 15 1.252 -8.455 -8.322 1.00 0.00 N ATOM 0 H ARG A 15 -5.510 -13.071 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.228 -10.910 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.893 -12.323 -5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.013 -11.964 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.387 -9.603 -7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.443 -9.805 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.963 -11.450 -6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.896 -11.214 -8.378 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.198 -8.714 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.916 -11.347 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.390 -10.461 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.705 -7.688 -8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.271 -8.407 -8.323 1.00 0.00 H new ATOM 291 N MET A 16 -6.073 -9.340 -4.821 1.00 0.00 N ATOM 292 CA MET A 16 -6.735 -8.107 -5.207 1.00 0.00 C ATOM 293 C MET A 16 -5.705 -7.203 -5.873 1.00 0.00 C ATOM 294 O MET A 16 -4.538 -7.166 -5.490 1.00 0.00 O ATOM 295 CB MET A 16 -7.360 -7.419 -3.990 1.00 0.00 C ATOM 296 CG MET A 16 -8.219 -6.188 -4.317 1.00 0.00 C ATOM 297 SD MET A 16 -8.262 -4.945 -3.000 1.00 0.00 S ATOM 298 CE MET A 16 -6.627 -4.203 -3.250 1.00 0.00 C ATOM 0 H MET A 16 -5.958 -9.459 -3.815 1.00 0.00 H new ATOM 0 HA MET A 16 -7.544 -8.323 -5.904 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.976 -8.143 -3.457 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.562 -7.118 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.839 -5.724 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.238 -6.514 -4.527 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.105 -4.143 -2.295 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.050 -4.818 -3.941 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.741 -3.202 -3.665 1.00 0.00 H new ATOM 308 N TYR A 17 -6.185 -6.466 -6.867 1.00 0.00 N ATOM 309 CA TYR A 17 -5.492 -5.383 -7.536 1.00 0.00 C ATOM 310 C TYR A 17 -6.388 -4.158 -7.421 1.00 0.00 C ATOM 311 O TYR A 17 -7.595 -4.275 -7.603 1.00 0.00 O ATOM 312 CB TYR A 17 -5.238 -5.787 -8.995 1.00 0.00 C ATOM 313 CG TYR A 17 -4.651 -4.698 -9.871 1.00 0.00 C ATOM 314 CD1 TYR A 17 -5.497 -3.759 -10.490 1.00 0.00 C ATOM 315 CD2 TYR A 17 -3.273 -4.683 -10.154 1.00 0.00 C ATOM 316 CE1 TYR A 17 -4.959 -2.778 -11.340 1.00 0.00 C ATOM 317 CE2 TYR A 17 -2.730 -3.673 -10.965 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.568 -2.697 -11.528 1.00 0.00 C ATOM 319 OH TYR A 17 -3.033 -1.674 -12.258 1.00 0.00 O ATOM 0 H TYR A 17 -7.120 -6.620 -7.245 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.522 -5.162 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.564 -6.644 -9.006 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.180 -6.116 -9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.562 -3.792 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.631 -5.450 -9.747 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.614 -2.086 -11.849 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.667 -3.647 -11.156 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.094 -1.548 -12.006 1.00 0.00 H new ATOM 329 N ALA A 18 -5.816 -2.993 -7.103 1.00 0.00 N ATOM 330 CA ALA A 18 -6.553 -1.745 -7.106 1.00 0.00 C ATOM 331 C ALA A 18 -5.654 -0.613 -7.569 1.00 0.00 C ATOM 332 O ALA A 18 -4.781 -0.150 -6.838 1.00 0.00 O ATOM 333 CB ALA A 18 -7.138 -1.443 -5.733 1.00 0.00 C ATOM 0 H ALA A 18 -4.835 -2.898 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.386 -1.842 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.684 -0.501 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.817 -2.245 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.332 -1.367 -5.003 1.00 0.00 H new ATOM 339 N ARG A 19 -5.916 -0.150 -8.788 1.00 0.00 N ATOM 340 CA ARG A 19 -5.330 1.059 -9.324 1.00 0.00 C ATOM 341 C ARG A 19 -6.152 2.216 -8.763 1.00 0.00 C ATOM 342 O ARG A 19 -7.249 2.493 -9.248 1.00 0.00 O ATOM 343 CB ARG A 19 -5.306 0.995 -10.857 1.00 0.00 C ATOM 344 CG ARG A 19 -4.125 1.772 -11.435 1.00 0.00 C ATOM 345 CD ARG A 19 -4.106 3.201 -10.903 1.00 0.00 C ATOM 346 NE ARG A 19 -3.237 4.046 -11.724 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.903 4.137 -11.579 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.267 3.407 -10.653 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.200 4.968 -12.360 1.00 0.00 N ATOM 0 H ARG A 19 -6.552 -0.616 -9.435 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.289 1.193 -9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.249 -0.045 -11.177 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.237 1.400 -11.253 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.192 1.270 -11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.190 1.785 -12.523 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.118 3.607 -10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.756 3.206 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.674 4.605 -12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.795 2.775 -10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.255 3.483 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.676 5.531 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.188 5.037 -12.250 1.00 0.00 H new ATOM 363 N VAL A 20 -5.644 2.852 -7.704 1.00 0.00 N ATOM 364 CA VAL A 20 -6.371 3.907 -7.017 1.00 0.00 C ATOM 365 C VAL A 20 -6.144 5.202 -7.794 1.00 0.00 C ATOM 366 O VAL A 20 -5.082 5.809 -7.685 1.00 0.00 O ATOM 367 CB VAL A 20 -5.927 4.021 -5.547 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.910 4.900 -4.764 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.830 2.656 -4.854 1.00 0.00 C ATOM 0 H VAL A 20 -4.727 2.649 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.437 3.684 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.933 4.469 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.585 4.973 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.939 5.896 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.905 4.457 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.513 2.794 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.805 2.168 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.103 2.034 -5.376 1.00 0.00 H new ATOM 379 N TYR A 21 -7.130 5.602 -8.604 1.00 0.00 N ATOM 380 CA TYR A 21 -7.032 6.772 -9.463 1.00 0.00 C ATOM 381 C TYR A 21 -7.366 8.050 -8.698 1.00 0.00 C ATOM 382 O TYR A 21 -8.184 8.037 -7.780 1.00 0.00 O ATOM 383 CB TYR A 21 -7.978 6.613 -10.653 1.00 0.00 C ATOM 384 CG TYR A 21 -7.550 5.538 -11.632 1.00 0.00 C ATOM 385 CD1 TYR A 21 -6.541 5.813 -12.574 1.00 0.00 C ATOM 386 CD2 TYR A 21 -8.130 4.258 -11.588 1.00 0.00 C ATOM 387 CE1 TYR A 21 -6.143 4.821 -13.488 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.752 3.276 -12.517 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.753 3.555 -13.464 1.00 0.00 C ATOM 390 OH TYR A 21 -6.369 2.592 -14.349 1.00 0.00 O ATOM 0 H TYR A 21 -8.023 5.114 -8.678 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.005 6.853 -9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.976 6.379 -10.283 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.048 7.565 -11.180 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.072 6.786 -12.595 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.870 4.029 -10.836 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.368 5.032 -14.209 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.229 2.307 -12.504 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.891 1.778 -14.193 1.00 0.00 H new ATOM 400 N GLY A 22 -6.744 9.156 -9.124 1.00 0.00 N ATOM 401 CA GLY A 22 -6.963 10.496 -8.605 1.00 0.00 C ATOM 402 C GLY A 22 -5.655 11.112 -8.140 1.00 0.00 C ATOM 403 O GLY A 22 -4.577 10.613 -8.467 1.00 0.00 O ATOM 0 H GLY A 22 -6.048 9.132 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.411 11.122 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.669 10.459 -7.775 1.00 0.00 H new ATOM 407 N LEU A 23 -5.759 12.182 -7.341 1.00 0.00 N ATOM 408 CA LEU A 23 -4.607 12.858 -6.759 1.00 0.00 C ATOM 409 C LEU A 23 -4.274 12.191 -5.422 1.00 0.00 C ATOM 410 O LEU A 23 -4.078 12.858 -4.408 1.00 0.00 O ATOM 411 CB LEU A 23 -4.891 14.360 -6.629 1.00 0.00 C ATOM 412 CG LEU A 23 -3.635 15.211 -6.365 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.861 15.483 -7.661 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.041 16.548 -5.733 1.00 0.00 C ATOM 0 H LEU A 23 -6.653 12.600 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.733 12.766 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.370 14.710 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.602 14.517 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.989 14.654 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.980 16.086 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.551 14.537 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.501 16.020 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.150 17.148 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.705 17.084 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.557 16.363 -4.791 1.00 0.00 H new ATOM 426 N VAL A 24 -4.217 10.855 -5.433 1.00 0.00 N ATOM 427 CA VAL A 24 -3.898 10.037 -4.271 1.00 0.00 C ATOM 428 C VAL A 24 -2.405 9.712 -4.231 1.00 0.00 C ATOM 429 O VAL A 24 -2.026 8.586 -3.925 1.00 0.00 O ATOM 430 CB VAL A 24 -4.797 8.791 -4.247 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.259 9.194 -4.025 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.703 7.994 -5.551 1.00 0.00 C ATOM 0 H VAL A 24 -4.397 10.305 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.107 10.595 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.448 8.163 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.884 8.301 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.352 9.718 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.582 9.850 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.354 7.122 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.014 8.623 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.674 7.669 -5.706 1.00 0.00 H new ATOM 442 N GLN A 25 -1.565 10.707 -4.543 1.00 0.00 N ATOM 443 CA GLN A 25 -0.117 10.573 -4.601 1.00 0.00 C ATOM 444 C GLN A 25 0.539 11.406 -3.501 1.00 0.00 C ATOM 445 O GLN A 25 -0.002 12.433 -3.097 1.00 0.00 O ATOM 446 CB GLN A 25 0.359 10.993 -6.000 1.00 0.00 C ATOM 447 CG GLN A 25 1.407 10.009 -6.536 1.00 0.00 C ATOM 448 CD GLN A 25 0.836 8.620 -6.853 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.321 8.324 -6.565 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.649 7.758 -7.463 1.00 0.00 N ATOM 0 H GLN A 25 -1.889 11.648 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 25 0.174 9.537 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.491 11.033 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.783 11.996 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.855 10.424 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.206 9.906 -5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.605 8.032 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.315 6.825 -7.703 1.00 0.00 H new ATOM 459 N GLY A 26 1.708 10.965 -3.019 1.00 0.00 N ATOM 460 CA GLY A 26 2.496 11.690 -2.031 1.00 0.00 C ATOM 461 C GLY A 26 1.985 11.452 -0.608 1.00 0.00 C ATOM 462 O GLY A 26 2.738 10.975 0.241 1.00 0.00 O ATOM 0 H GLY A 26 2.132 10.085 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.539 11.379 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.466 12.757 -2.254 1.00 0.00 H new ATOM 466 N VAL A 27 0.702 11.754 -0.373 1.00 0.00 N ATOM 467 CA VAL A 27 -0.018 11.595 0.889 1.00 0.00 C ATOM 468 C VAL A 27 0.209 10.198 1.489 1.00 0.00 C ATOM 469 O VAL A 27 0.444 9.234 0.764 1.00 0.00 O ATOM 470 CB VAL A 27 -1.510 11.906 0.638 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.402 11.639 1.857 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.692 13.378 0.235 1.00 0.00 C ATOM 0 H VAL A 27 0.106 12.139 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 27 0.363 12.295 1.632 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.817 11.234 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.436 11.879 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.330 10.588 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.074 12.260 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.749 13.580 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.326 14.022 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.130 13.577 -0.678 1.00 0.00 H new ATOM 482 N GLY A 28 0.160 10.088 2.823 1.00 0.00 N ATOM 483 CA GLY A 28 0.472 8.861 3.549 1.00 0.00 C ATOM 484 C GLY A 28 -0.685 7.858 3.578 1.00 0.00 C ATOM 485 O GLY A 28 -0.881 7.173 4.581 1.00 0.00 O ATOM 0 H GLY A 28 -0.102 10.863 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.341 8.388 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.749 9.114 4.572 1.00 0.00 H new ATOM 489 N PHE A 29 -1.426 7.733 2.471 1.00 0.00 N ATOM 490 CA PHE A 29 -2.473 6.736 2.318 1.00 0.00 C ATOM 491 C PHE A 29 -1.860 5.334 2.281 1.00 0.00 C ATOM 492 O PHE A 29 -2.451 4.391 2.798 1.00 0.00 O ATOM 493 CB PHE A 29 -3.293 7.029 1.056 1.00 0.00 C ATOM 494 CG PHE A 29 -2.538 6.824 -0.241 1.00 0.00 C ATOM 495 CD1 PHE A 29 -2.393 5.523 -0.754 1.00 0.00 C ATOM 496 CD2 PHE A 29 -1.731 7.859 -0.741 1.00 0.00 C ATOM 497 CE1 PHE A 29 -1.304 5.219 -1.585 1.00 0.00 C ATOM 498 CE2 PHE A 29 -0.659 7.563 -1.597 1.00 0.00 C ATOM 499 CZ PHE A 29 -0.425 6.238 -1.994 1.00 0.00 C ATOM 0 H PHE A 29 -1.309 8.330 1.653 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.148 6.781 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.175 6.389 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.646 8.059 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.117 4.760 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.936 8.883 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.141 4.202 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.015 8.355 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.428 6.001 -2.612 1.00 0.00 H new ATOM 509 N ARG A 30 -0.674 5.201 1.671 1.00 0.00 N ATOM 510 CA ARG A 30 0.043 3.939 1.537 1.00 0.00 C ATOM 511 C ARG A 30 0.327 3.317 2.904 1.00 0.00 C ATOM 512 O ARG A 30 0.348 2.095 3.031 1.00 0.00 O ATOM 513 CB ARG A 30 1.330 4.153 0.726 1.00 0.00 C ATOM 514 CG ARG A 30 2.400 4.970 1.465 1.00 0.00 C ATOM 515 CD ARG A 30 3.585 5.284 0.543 1.00 0.00 C ATOM 516 NE ARG A 30 3.213 6.226 -0.518 1.00 0.00 N ATOM 517 CZ ARG A 30 3.071 7.553 -0.358 1.00 0.00 C ATOM 518 NH1 ARG A 30 3.302 8.145 0.822 1.00 0.00 N ATOM 519 NH2 ARG A 30 2.688 8.303 -1.393 1.00 0.00 N ATOM 0 H ARG A 30 -0.181 5.989 1.250 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.585 3.232 0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.747 3.181 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.081 4.658 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.964 5.899 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.749 4.415 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.402 5.702 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.953 4.360 0.097 1.00 0.00 H new ATOM 0 HE ARG A 30 3.049 5.844 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.593 7.587 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.187 9.154 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.505 7.869 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.578 9.311 -1.280 1.00 0.00 H new ATOM 533 N LYS A 31 0.523 4.171 3.918 1.00 0.00 N ATOM 534 CA LYS A 31 0.719 3.780 5.297 1.00 0.00 C ATOM 535 C LYS A 31 -0.610 3.313 5.899 1.00 0.00 C ATOM 536 O LYS A 31 -0.657 2.261 6.524 1.00 0.00 O ATOM 537 CB LYS A 31 1.293 4.962 6.080 1.00 0.00 C ATOM 538 CG LYS A 31 1.820 4.522 7.448 1.00 0.00 C ATOM 539 CD LYS A 31 2.378 5.731 8.204 1.00 0.00 C ATOM 540 CE LYS A 31 2.819 5.321 9.611 1.00 0.00 C ATOM 541 NZ LYS A 31 3.357 6.469 10.315 1.00 0.00 N ATOM 0 H LYS A 31 0.548 5.182 3.784 1.00 0.00 H new ATOM 0 HA LYS A 31 1.424 2.951 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.099 5.422 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.522 5.722 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.019 4.059 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.598 3.769 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.223 6.151 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.619 6.511 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.973 4.910 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.572 4.535 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.654 6.183 11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.176 6.843 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.627 7.206 10.386 1.00 0.00 H new ATOM 554 N PHE A 32 -1.686 4.089 5.714 1.00 0.00 N ATOM 555 CA PHE A 32 -3.021 3.750 6.208 1.00 0.00 C ATOM 556 C PHE A 32 -3.483 2.379 5.692 1.00 0.00 C ATOM 557 O PHE A 32 -3.999 1.560 6.451 1.00 0.00 O ATOM 558 CB PHE A 32 -4.013 4.851 5.795 1.00 0.00 C ATOM 559 CG PHE A 32 -5.438 4.756 6.328 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.777 3.926 7.418 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.442 5.542 5.727 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.102 3.857 7.877 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.763 5.488 6.203 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.099 4.634 7.266 1.00 0.00 C ATOM 0 H PHE A 32 -1.651 4.977 5.213 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.983 3.687 7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.600 5.810 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.062 4.867 4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.011 3.339 7.903 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.195 6.188 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.354 3.206 8.701 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.523 6.106 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.120 4.575 7.612 1.00 0.00 H new ATOM 574 N VAL A 33 -3.276 2.125 4.393 1.00 0.00 N ATOM 575 CA VAL A 33 -3.501 0.819 3.777 1.00 0.00 C ATOM 576 C VAL A 33 -2.657 -0.245 4.484 1.00 0.00 C ATOM 577 O VAL A 33 -3.118 -1.369 4.679 1.00 0.00 O ATOM 578 CB VAL A 33 -3.192 0.877 2.267 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.185 -0.518 1.622 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.227 1.735 1.528 1.00 0.00 C ATOM 0 H VAL A 33 -2.944 2.831 3.736 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.550 0.545 3.888 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.199 1.317 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.963 -0.426 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.424 -1.136 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.163 -0.983 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.987 1.760 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.220 1.307 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.211 2.749 1.927 1.00 0.00 H new ATOM 590 N GLN A 34 -1.437 0.129 4.879 1.00 0.00 N ATOM 591 CA GLN A 34 -0.507 -0.744 5.568 1.00 0.00 C ATOM 592 C GLN A 34 -1.063 -1.169 6.920 1.00 0.00 C ATOM 593 O GLN A 34 -1.210 -2.365 7.126 1.00 0.00 O ATOM 594 CB GLN A 34 0.885 -0.089 5.665 1.00 0.00 C ATOM 595 CG GLN A 34 2.018 -1.005 5.199 1.00 0.00 C ATOM 596 CD GLN A 34 1.747 -1.630 3.833 1.00 0.00 C ATOM 597 OE1 GLN A 34 2.057 -2.796 3.632 1.00 0.00 O ATOM 598 NE2 GLN A 34 1.136 -0.894 2.902 1.00 0.00 N ATOM 0 H GLN A 34 -1.069 1.067 4.722 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.380 -1.657 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.893 0.821 5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.068 0.208 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.946 -0.435 5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.165 -1.797 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.890 0.076 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.915 -1.302 1.993 1.00 0.00 H new ATOM 607 N ILE A 35 -1.394 -0.233 7.820 1.00 0.00 N ATOM 608 CA ILE A 35 -1.905 -0.544 9.158 1.00 0.00 C ATOM 609 C ILE A 35 -2.939 -1.666 9.122 1.00 0.00 C ATOM 610 O ILE A 35 -2.812 -2.646 9.852 1.00 0.00 O ATOM 611 CB ILE A 35 -2.520 0.714 9.814 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.553 1.906 9.934 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.120 0.385 11.192 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.259 1.592 10.688 1.00 0.00 C ATOM 0 H ILE A 35 -1.313 0.767 7.637 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.058 -0.883 9.755 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.310 1.028 9.132 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.301 2.257 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.065 2.725 10.439 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.545 1.289 11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.902 -0.366 11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.339 -0.001 11.846 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.365 2.485 10.727 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.497 1.271 11.702 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.278 0.796 10.173 1.00 0.00 H new ATOM 626 N HIS A 36 -3.950 -1.525 8.264 1.00 0.00 N ATOM 627 CA HIS A 36 -5.019 -2.499 8.163 1.00 0.00 C ATOM 628 C HIS A 36 -4.473 -3.812 7.606 1.00 0.00 C ATOM 629 O HIS A 36 -4.587 -4.835 8.271 1.00 0.00 O ATOM 630 CB HIS A 36 -6.186 -1.919 7.360 1.00 0.00 C ATOM 631 CG HIS A 36 -7.051 -1.022 8.212 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.391 -1.330 8.447 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.723 0.099 8.936 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.819 -0.387 9.292 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.858 0.493 9.611 1.00 0.00 N ATOM 0 H HIS A 36 -4.044 -0.735 7.626 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.420 -2.729 9.150 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.800 -1.355 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.790 -2.731 6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.757 0.581 8.970 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.827 -0.339 9.676 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.950 1.297 10.232 1.00 0.00 H new ATOM 643 N ALA A 37 -3.848 -3.786 6.423 1.00 0.00 N ATOM 644 CA ALA A 37 -3.249 -4.960 5.794 1.00 0.00 C ATOM 645 C ALA A 37 -2.389 -5.795 6.754 1.00 0.00 C ATOM 646 O ALA A 37 -2.521 -7.013 6.819 1.00 0.00 O ATOM 647 CB ALA A 37 -2.401 -4.488 4.612 1.00 0.00 C ATOM 0 H ALA A 37 -3.745 -2.935 5.871 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.058 -5.614 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.943 -5.349 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.034 -3.962 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.621 -3.816 4.969 1.00 0.00 H new ATOM 653 N ILE A 38 -1.511 -5.120 7.498 1.00 0.00 N ATOM 654 CA ILE A 38 -0.570 -5.692 8.447 1.00 0.00 C ATOM 655 C ILE A 38 -1.310 -6.247 9.666 1.00 0.00 C ATOM 656 O ILE A 38 -0.999 -7.350 10.111 1.00 0.00 O ATOM 657 CB ILE A 38 0.504 -4.635 8.797 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.695 -4.724 7.825 1.00 0.00 C ATOM 659 CG2 ILE A 38 1.035 -4.736 10.232 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.317 -4.561 6.349 1.00 0.00 C ATOM 0 H ILE A 38 -1.438 -4.104 7.447 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.050 -6.542 8.006 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.003 -3.674 8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.422 -3.956 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.186 -5.688 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.783 -3.961 10.398 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.212 -4.603 10.935 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.487 -5.716 10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.213 -4.637 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.614 -5.344 6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.854 -3.586 6.198 1.00 0.00 H new ATOM 672 N ARG A 39 -2.304 -5.515 10.187 1.00 0.00 N ATOM 673 CA ARG A 39 -3.148 -5.992 11.269 1.00 0.00 C ATOM 674 C ARG A 39 -3.947 -7.234 10.862 1.00 0.00 C ATOM 675 O ARG A 39 -4.172 -8.118 11.686 1.00 0.00 O ATOM 676 CB ARG A 39 -4.021 -4.825 11.739 1.00 0.00 C ATOM 677 CG ARG A 39 -4.770 -5.126 13.033 1.00 0.00 C ATOM 678 CD ARG A 39 -6.193 -5.644 12.800 1.00 0.00 C ATOM 679 NE ARG A 39 -6.844 -5.961 14.077 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.051 -6.537 14.205 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.774 -6.858 13.123 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.535 -6.791 15.428 1.00 0.00 N ATOM 0 H ARG A 39 -2.538 -4.576 9.864 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.538 -6.326 12.109 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.394 -3.945 11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.740 -4.579 10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.210 -5.866 13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.814 -4.221 13.639 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.776 -4.894 12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.163 -6.533 12.170 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.341 -5.726 14.933 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.409 -6.665 12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.689 -7.295 13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.988 -6.547 16.254 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.451 -7.228 15.534 1.00 0.00 H new ATOM 696 N LEU A 40 -4.357 -7.309 9.593 1.00 0.00 N ATOM 697 CA LEU A 40 -5.203 -8.362 9.055 1.00 0.00 C ATOM 698 C LEU A 40 -4.400 -9.506 8.420 1.00 0.00 C ATOM 699 O LEU A 40 -5.001 -10.469 7.947 1.00 0.00 O ATOM 700 CB LEU A 40 -6.178 -7.730 8.059 1.00 0.00 C ATOM 701 CG LEU A 40 -7.090 -6.694 8.743 1.00 0.00 C ATOM 702 CD1 LEU A 40 -7.735 -5.837 7.658 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.165 -7.357 9.614 1.00 0.00 C ATOM 0 H LEU A 40 -4.097 -6.613 8.894 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.755 -8.824 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.619 -7.250 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.789 -8.509 7.602 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.487 -6.078 9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.386 -5.095 8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.958 -5.331 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.322 -6.472 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.784 -6.588 10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.789 -8.001 8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.687 -7.953 10.391 1.00 0.00 H new ATOM 715 N GLY A 41 -3.061 -9.428 8.418 1.00 0.00 N ATOM 716 CA GLY A 41 -2.194 -10.479 7.904 1.00 0.00 C ATOM 717 C GLY A 41 -2.334 -10.632 6.391 1.00 0.00 C ATOM 718 O GLY A 41 -2.722 -11.694 5.908 1.00 0.00 O ATOM 0 H GLY A 41 -2.552 -8.621 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.158 -10.251 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.438 -11.423 8.390 1.00 0.00 H new ATOM 722 N ILE A 42 -2.012 -9.563 5.653 1.00 0.00 N ATOM 723 CA ILE A 42 -2.113 -9.471 4.205 1.00 0.00 C ATOM 724 C ILE A 42 -0.726 -9.159 3.646 1.00 0.00 C ATOM 725 O ILE A 42 0.019 -8.375 4.231 1.00 0.00 O ATOM 726 CB ILE A 42 -3.126 -8.375 3.830 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.507 -8.606 4.456 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.291 -8.188 2.320 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.229 -9.859 3.961 1.00 0.00 C ATOM 0 H ILE A 42 -1.659 -8.704 6.075 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.465 -10.411 3.780 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.695 -7.463 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.394 -8.671 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.133 -7.737 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.020 -7.400 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.333 -7.911 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.638 -9.120 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.196 -9.942 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.378 -9.791 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.628 -10.739 4.189 1.00 0.00 H new ATOM 741 N LYS A 43 -0.403 -9.776 2.507 1.00 0.00 N ATOM 742 CA LYS A 43 0.828 -9.543 1.756 1.00 0.00 C ATOM 743 C LYS A 43 0.477 -8.673 0.551 1.00 0.00 C ATOM 744 O LYS A 43 -0.700 -8.515 0.241 1.00 0.00 O ATOM 745 CB LYS A 43 1.455 -10.871 1.321 1.00 0.00 C ATOM 746 CG LYS A 43 1.592 -11.825 2.514 1.00 0.00 C ATOM 747 CD LYS A 43 2.385 -13.081 2.142 1.00 0.00 C ATOM 748 CE LYS A 43 2.490 -14.053 3.324 1.00 0.00 C ATOM 749 NZ LYS A 43 3.241 -13.462 4.414 1.00 0.00 N ATOM 0 H LYS A 43 -1.009 -10.471 2.071 1.00 0.00 H new ATOM 0 HA LYS A 43 1.565 -9.035 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.840 -11.333 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.435 -10.689 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.089 -11.311 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.601 -12.111 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.903 -13.580 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.385 -12.797 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.492 -14.322 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.975 -14.974 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.474 -14.196 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.119 -13.045 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.669 -12.721 4.868 1.00 0.00 H new ATOM 762 N GLY A 44 1.466 -8.096 -0.135 1.00 0.00 N ATOM 763 CA GLY A 44 1.150 -7.229 -1.261 1.00 0.00 C ATOM 764 C GLY A 44 2.218 -6.187 -1.557 1.00 0.00 C ATOM 765 O GLY A 44 3.407 -6.444 -1.385 1.00 0.00 O ATOM 0 H GLY A 44 2.460 -8.210 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.000 -7.843 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.206 -6.721 -1.062 1.00 0.00 H new ATOM 769 N TYR A 45 1.772 -5.001 -1.997 1.00 0.00 N ATOM 770 CA TYR A 45 2.619 -3.830 -2.154 1.00 0.00 C ATOM 771 C TYR A 45 1.767 -2.601 -2.465 1.00 0.00 C ATOM 772 O TYR A 45 0.794 -2.688 -3.214 1.00 0.00 O ATOM 773 CB TYR A 45 3.656 -4.031 -3.265 1.00 0.00 C ATOM 774 CG TYR A 45 5.088 -3.776 -2.855 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.553 -2.457 -2.703 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.972 -4.856 -2.681 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.874 -2.229 -2.286 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.313 -4.622 -2.338 1.00 0.00 C ATOM 779 CZ TYR A 45 7.755 -3.309 -2.103 1.00 0.00 C ATOM 780 OH TYR A 45 9.037 -3.077 -1.698 1.00 0.00 O ATOM 0 H TYR A 45 0.799 -4.836 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 45 3.150 -3.679 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.576 -5.053 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.409 -3.371 -4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.897 -1.624 -2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.618 -5.868 -2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.215 -1.220 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.003 -5.449 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 45 9.514 -3.929 -1.618 1.00 0.00 H new ATOM 790 N ALA A 46 2.165 -1.462 -1.888 1.00 0.00 N ATOM 791 CA ALA A 46 1.557 -0.152 -2.105 1.00 0.00 C ATOM 792 C ALA A 46 2.510 0.698 -2.937 1.00 0.00 C ATOM 793 O ALA A 46 3.337 1.419 -2.384 1.00 0.00 O ATOM 794 CB ALA A 46 1.254 0.521 -0.757 1.00 0.00 C ATOM 0 H ALA A 46 2.947 -1.430 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 46 0.614 -0.262 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.801 1.497 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.566 -0.102 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.180 0.646 -0.196 1.00 0.00 H new ATOM 800 N LYS A 47 2.418 0.577 -4.264 1.00 0.00 N ATOM 801 CA LYS A 47 3.435 1.040 -5.191 1.00 0.00 C ATOM 802 C LYS A 47 3.033 2.385 -5.800 1.00 0.00 C ATOM 803 O LYS A 47 2.376 2.443 -6.841 1.00 0.00 O ATOM 804 CB LYS A 47 3.671 -0.073 -6.217 1.00 0.00 C ATOM 805 CG LYS A 47 4.752 0.256 -7.255 1.00 0.00 C ATOM 806 CD LYS A 47 4.885 -0.820 -8.340 1.00 0.00 C ATOM 807 CE LYS A 47 3.666 -0.899 -9.269 1.00 0.00 C ATOM 808 NZ LYS A 47 3.948 -1.800 -10.370 1.00 0.00 N ATOM 0 H LYS A 47 1.617 0.146 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 47 4.382 1.235 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.952 -0.985 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.735 -0.280 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.519 1.212 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.710 0.375 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.775 -0.617 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.034 -1.789 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.796 -1.249 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.423 0.093 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.104 -2.372 -10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.206 -1.248 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.737 -2.427 -10.112 1.00 0.00 H new ATOM 821 N ASN A 48 3.445 3.465 -5.126 1.00 0.00 N ATOM 822 CA ASN A 48 3.231 4.846 -5.529 1.00 0.00 C ATOM 823 C ASN A 48 4.220 5.223 -6.633 1.00 0.00 C ATOM 824 O ASN A 48 5.324 5.676 -6.344 1.00 0.00 O ATOM 825 CB ASN A 48 3.369 5.745 -4.289 1.00 0.00 C ATOM 826 CG ASN A 48 3.077 7.217 -4.562 1.00 0.00 C ATOM 827 OD1 ASN A 48 2.034 7.726 -4.158 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.016 7.917 -5.198 1.00 0.00 N ATOM 0 H ASN A 48 3.958 3.389 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 48 2.230 4.980 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.691 5.387 -3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.381 5.652 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.883 8.914 -5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.868 7.455 -5.517 1.00 0.00 H new ATOM 835 N LEU A 49 3.803 5.062 -7.894 1.00 0.00 N ATOM 836 CA LEU A 49 4.521 5.485 -9.089 1.00 0.00 C ATOM 837 C LEU A 49 4.583 7.015 -9.097 1.00 0.00 C ATOM 838 O LEU A 49 3.555 7.642 -9.339 1.00 0.00 O ATOM 839 CB LEU A 49 3.758 4.993 -10.325 1.00 0.00 C ATOM 840 CG LEU A 49 3.603 3.466 -10.394 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.586 3.127 -11.488 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.934 2.767 -10.692 1.00 0.00 C ATOM 0 H LEU A 49 2.914 4.612 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 49 5.530 5.073 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.768 5.450 -10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.276 5.337 -11.220 1.00 0.00 H new ATOM 0 HG LEU A 49 3.260 3.110 -9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.465 2.046 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.627 3.587 -11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.941 3.507 -12.446 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.778 1.689 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.320 3.113 -11.651 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.652 3.001 -9.906 1.00 0.00 H new ATOM 854 N PRO A 50 5.732 7.651 -8.816 1.00 0.00 N ATOM 855 CA PRO A 50 5.776 9.052 -8.413 1.00 0.00 C ATOM 856 C PRO A 50 5.741 10.023 -9.605 1.00 0.00 C ATOM 857 O PRO A 50 6.453 11.026 -9.615 1.00 0.00 O ATOM 858 CB PRO A 50 7.062 9.152 -7.589 1.00 0.00 C ATOM 859 CG PRO A 50 7.993 8.197 -8.335 1.00 0.00 C ATOM 860 CD PRO A 50 7.050 7.048 -8.702 1.00 0.00 C ATOM 0 HA PRO A 50 4.897 9.347 -7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.454 10.169 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.908 8.846 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.431 8.662 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.819 7.861 -7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.349 6.578 -9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.062 6.271 -7.938 1.00 0.00 H new ATOM 868 N ASP A 51 4.875 9.749 -10.587 1.00 0.00 N ATOM 869 CA ASP A 51 4.531 10.641 -11.681 1.00 0.00 C ATOM 870 C ASP A 51 3.171 10.208 -12.246 1.00 0.00 C ATOM 871 O ASP A 51 3.013 10.054 -13.456 1.00 0.00 O ATOM 872 CB ASP A 51 5.644 10.616 -12.746 1.00 0.00 C ATOM 873 CG ASP A 51 5.449 11.670 -13.836 1.00 0.00 C ATOM 874 OD1 ASP A 51 4.895 12.734 -13.567 1.00 0.00 O ATOM 875 OD2 ASP A 51 5.927 11.346 -15.071 1.00 0.00 O ATOM 0 H ASP A 51 4.378 8.860 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 51 4.448 11.671 -11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.607 10.776 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.678 9.628 -13.205 1.00 0.00 H new ATOM 881 N GLY A 52 2.187 9.982 -11.364 1.00 0.00 N ATOM 882 CA GLY A 52 0.863 9.532 -11.747 1.00 0.00 C ATOM 883 C GLY A 52 0.044 9.203 -10.504 1.00 0.00 C ATOM 884 O GLY A 52 0.057 9.956 -9.532 1.00 0.00 O ATOM 0 H GLY A 52 2.300 10.111 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.361 10.305 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.940 8.652 -12.385 1.00 0.00 H new ATOM 888 N SER A 53 -0.658 8.068 -10.558 1.00 0.00 N ATOM 889 CA SER A 53 -1.493 7.538 -9.488 1.00 0.00 C ATOM 890 C SER A 53 -0.873 6.243 -8.942 1.00 0.00 C ATOM 891 O SER A 53 0.084 5.721 -9.514 1.00 0.00 O ATOM 892 CB SER A 53 -2.921 7.338 -10.007 1.00 0.00 C ATOM 893 OG SER A 53 -3.496 8.576 -10.373 1.00 0.00 O ATOM 0 H SER A 53 -0.657 7.472 -11.385 1.00 0.00 H new ATOM 0 HA SER A 53 -1.545 8.243 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.911 6.668 -10.866 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.530 6.861 -9.238 1.00 0.00 H new ATOM 0 HG SER A 53 -3.759 9.066 -9.566 1.00 0.00 H new ATOM 899 N VAL A 54 -1.397 5.749 -7.812 1.00 0.00 N ATOM 900 CA VAL A 54 -0.820 4.639 -7.055 1.00 0.00 C ATOM 901 C VAL A 54 -1.497 3.309 -7.383 1.00 0.00 C ATOM 902 O VAL A 54 -2.724 3.223 -7.444 1.00 0.00 O ATOM 903 CB VAL A 54 -0.866 4.923 -5.541 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.286 5.144 -5.006 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.236 3.754 -4.770 1.00 0.00 C ATOM 0 H VAL A 54 -2.250 6.120 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 54 0.224 4.551 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.306 5.846 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.245 5.339 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.737 5.997 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.887 4.253 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.272 3.962 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.789 2.839 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.801 3.630 -5.081 1.00 0.00 H new ATOM 915 N GLU A 55 -0.676 2.266 -7.569 1.00 0.00 N ATOM 916 CA GLU A 55 -1.115 0.893 -7.756 1.00 0.00 C ATOM 917 C GLU A 55 -0.963 0.133 -6.438 1.00 0.00 C ATOM 918 O GLU A 55 0.141 0.042 -5.906 1.00 0.00 O ATOM 919 CB GLU A 55 -0.255 0.251 -8.854 1.00 0.00 C ATOM 920 CG GLU A 55 -0.698 -1.188 -9.148 1.00 0.00 C ATOM 921 CD GLU A 55 0.109 -1.796 -10.290 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.839 -2.759 -10.068 1.00 0.00 O ATOM 923 OE2 GLU A 55 -0.057 -1.218 -11.514 1.00 0.00 O ATOM 0 H GLU A 55 0.339 2.366 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.162 0.861 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.322 0.846 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.791 0.255 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.579 -1.797 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.758 -1.199 -9.403 1.00 0.00 H new ATOM 931 N VAL A 56 -2.061 -0.439 -5.935 1.00 0.00 N ATOM 932 CA VAL A 56 -2.077 -1.330 -4.779 1.00 0.00 C ATOM 933 C VAL A 56 -2.328 -2.757 -5.269 1.00 0.00 C ATOM 934 O VAL A 56 -3.075 -2.953 -6.226 1.00 0.00 O ATOM 935 CB VAL A 56 -3.164 -0.882 -3.789 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.245 -1.827 -2.580 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.868 0.536 -3.279 1.00 0.00 C ATOM 0 H VAL A 56 -2.987 -0.289 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.120 -1.295 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.115 -0.901 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.023 -1.482 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.482 -2.835 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.287 -1.836 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.646 0.841 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.902 0.547 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.846 1.228 -4.121 1.00 0.00 H new ATOM 947 N VAL A 57 -1.714 -3.746 -4.608 1.00 0.00 N ATOM 948 CA VAL A 57 -1.895 -5.161 -4.904 1.00 0.00 C ATOM 949 C VAL A 57 -1.904 -5.967 -3.602 1.00 0.00 C ATOM 950 O VAL A 57 -0.866 -6.472 -3.192 1.00 0.00 O ATOM 951 CB VAL A 57 -0.827 -5.658 -5.906 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.235 -5.339 -7.347 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.574 -5.077 -5.663 1.00 0.00 C ATOM 0 H VAL A 57 -1.066 -3.575 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.860 -5.308 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.774 -6.735 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.467 -5.699 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.182 -5.829 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.348 -4.261 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.266 -5.473 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.537 -3.991 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.915 -5.354 -4.665 1.00 0.00 H new ATOM 963 N ALA A 58 -3.075 -6.091 -2.959 1.00 0.00 N ATOM 964 CA ALA A 58 -3.260 -6.765 -1.674 1.00 0.00 C ATOM 965 C ALA A 58 -3.656 -8.230 -1.859 1.00 0.00 C ATOM 966 O ALA A 58 -4.404 -8.544 -2.779 1.00 0.00 O ATOM 967 CB ALA A 58 -4.367 -6.054 -0.897 1.00 0.00 C ATOM 0 H ALA A 58 -3.944 -5.711 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.315 -6.730 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.513 -6.549 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.085 -5.015 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.294 -6.091 -1.469 1.00 0.00 H new ATOM 973 N GLU A 59 -3.161 -9.124 -0.993 1.00 0.00 N ATOM 974 CA GLU A 59 -3.242 -10.563 -1.197 1.00 0.00 C ATOM 975 C GLU A 59 -3.877 -11.247 0.013 1.00 0.00 C ATOM 976 O GLU A 59 -3.188 -11.477 1.007 1.00 0.00 O ATOM 977 CB GLU A 59 -1.833 -11.109 -1.464 1.00 0.00 C ATOM 978 CG GLU A 59 -1.219 -10.433 -2.698 1.00 0.00 C ATOM 979 CD GLU A 59 0.093 -11.085 -3.104 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.995 -11.182 -2.275 1.00 0.00 O ATOM 981 OE2 GLU A 59 0.171 -11.513 -4.399 1.00 0.00 O ATOM 0 H GLU A 59 -2.691 -8.860 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.876 -10.773 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.199 -10.936 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.877 -12.187 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.923 -10.484 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.050 -9.377 -2.488 1.00 0.00 H new ATOM 989 N GLY A 60 -5.176 -11.566 -0.058 1.00 0.00 N ATOM 990 CA GLY A 60 -5.892 -12.154 1.065 1.00 0.00 C ATOM 991 C GLY A 60 -7.055 -13.040 0.634 1.00 0.00 C ATOM 992 O GLY A 60 -7.530 -12.974 -0.498 1.00 0.00 O ATOM 0 H GLY A 60 -5.749 -11.423 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.197 -12.743 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.268 -11.357 1.706 1.00 0.00 H new ATOM 996 N TYR A 61 -7.528 -13.854 1.585 1.00 0.00 N ATOM 997 CA TYR A 61 -8.802 -14.542 1.517 1.00 0.00 C ATOM 998 C TYR A 61 -9.924 -13.500 1.574 1.00 0.00 C ATOM 999 O TYR A 61 -9.679 -12.339 1.902 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.889 -15.508 2.699 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.093 -16.797 2.589 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -8.716 -17.958 2.090 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -6.840 -16.902 3.220 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -8.116 -19.216 2.273 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.229 -18.159 3.381 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.868 -19.317 2.909 1.00 0.00 C ATOM 1007 OH TYR A 61 -6.276 -20.537 3.063 1.00 0.00 O ATOM 0 H TYR A 61 -7.013 -14.051 2.443 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.899 -15.107 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.559 -14.980 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.937 -15.767 2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.657 -17.881 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.345 -16.013 3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.616 -20.107 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.268 -18.233 3.868 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.417 -20.428 3.522 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.162 -13.903 1.266 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.278 -12.968 1.219 1.00 0.00 C ATOM 1019 C GLU A 62 -12.708 -12.522 2.617 1.00 0.00 C ATOM 1020 O GLU A 62 -13.068 -11.358 2.796 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.453 -13.527 0.425 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.055 -13.860 -1.019 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.276 -14.225 -1.855 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.639 -13.474 -2.757 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.896 -15.394 -1.526 1.00 0.00 O ATOM 0 H GLU A 62 -11.410 -14.868 1.047 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.924 -12.081 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.829 -14.425 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.267 -12.802 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.547 -13.005 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.347 -14.689 -1.022 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.637 -13.427 3.603 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.884 -13.144 5.010 1.00 0.00 C ATOM 1035 C GLU A 63 -12.186 -11.858 5.473 1.00 0.00 C ATOM 1036 O GLU A 63 -12.772 -11.081 6.223 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.456 -14.365 5.840 1.00 0.00 C ATOM 1038 CG GLU A 63 -10.964 -14.697 5.704 1.00 0.00 C ATOM 1039 CD GLU A 63 -10.611 -16.026 6.363 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -10.354 -16.999 5.656 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -10.595 -16.033 7.725 1.00 0.00 O ATOM 0 H GLU A 63 -12.398 -14.404 3.431 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.949 -12.966 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.686 -14.181 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.043 -15.230 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.696 -14.734 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.373 -13.900 6.156 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.949 -11.636 5.002 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.135 -10.469 5.313 1.00 0.00 C ATOM 1051 C ALA A 64 -10.003 -9.509 4.124 1.00 0.00 C ATOM 1052 O ALA A 64 -9.343 -8.481 4.261 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.759 -10.939 5.789 1.00 0.00 C ATOM 0 H ALA A 64 -10.480 -12.290 4.375 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.632 -9.906 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.140 -10.073 6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.874 -11.557 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.281 -11.522 5.002 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.628 -9.801 2.971 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.621 -8.865 1.855 1.00 0.00 C ATOM 1061 C LEU A 65 -11.488 -7.670 2.212 1.00 0.00 C ATOM 1062 O LEU A 65 -10.992 -6.552 2.236 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.097 -9.513 0.562 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.074 -8.531 -0.613 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.685 -7.928 -0.866 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.544 -9.303 -1.839 1.00 0.00 C ATOM 0 H LEU A 65 -11.136 -10.668 2.797 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.595 -8.540 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.464 -10.370 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.110 -9.892 0.698 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.724 -7.686 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.735 -7.241 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.355 -7.388 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.977 -8.726 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.545 -8.643 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.871 -10.141 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.553 -9.678 -1.668 1.00 0.00 H new ATOM 1078 N SER A 66 -12.772 -7.923 2.494 1.00 0.00 N ATOM 1079 CA SER A 66 -13.751 -6.931 2.927 1.00 0.00 C ATOM 1080 C SER A 66 -13.171 -5.965 3.964 1.00 0.00 C ATOM 1081 O SER A 66 -13.345 -4.754 3.857 1.00 0.00 O ATOM 1082 CB SER A 66 -14.974 -7.667 3.488 1.00 0.00 C ATOM 1083 OG SER A 66 -14.605 -8.529 4.548 1.00 0.00 O ATOM 0 H SER A 66 -13.167 -8.861 2.423 1.00 0.00 H new ATOM 0 HA SER A 66 -14.041 -6.324 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.708 -6.943 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.451 -8.243 2.695 1.00 0.00 H new ATOM 0 HG SER A 66 -15.401 -8.986 4.891 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.462 -6.522 4.949 1.00 0.00 N ATOM 1090 CA LYS A 67 -11.822 -5.808 6.044 1.00 0.00 C ATOM 1091 C LYS A 67 -10.845 -4.721 5.560 1.00 0.00 C ATOM 1092 O LYS A 67 -10.724 -3.692 6.219 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.141 -6.828 6.968 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.082 -7.927 7.491 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.294 -7.387 8.258 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.111 -8.554 8.821 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.239 -8.049 9.578 1.00 0.00 N ATOM 0 H LYS A 67 -12.315 -7.530 5.002 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.588 -5.269 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.317 -7.296 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.708 -6.300 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.433 -8.524 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.519 -8.595 8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.964 -6.737 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.914 -6.782 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.463 -9.188 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.482 -9.174 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.788 -8.847 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.895 -7.462 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.845 -7.475 8.957 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.178 -4.927 4.414 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.382 -3.919 3.711 1.00 0.00 C ATOM 1112 C LEU A 68 -10.286 -3.083 2.798 1.00 0.00 C ATOM 1113 O LEU A 68 -10.254 -1.854 2.831 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.268 -4.618 2.909 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.639 -3.769 1.788 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.996 -2.476 2.298 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.575 -4.594 1.060 1.00 0.00 C ATOM 0 H LEU A 68 -10.180 -5.830 3.939 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.918 -3.244 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.481 -4.922 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.675 -5.529 2.469 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.450 -3.487 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.572 -1.925 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.752 -1.863 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.206 -2.718 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.129 -3.994 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.801 -4.894 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.036 -5.482 0.628 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.044 -3.754 1.929 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.763 -3.147 0.829 1.00 0.00 C ATOM 1131 C LEU A 69 -12.669 -2.011 1.321 1.00 0.00 C ATOM 1132 O LEU A 69 -12.580 -0.882 0.842 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.556 -4.281 0.155 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.842 -4.124 -1.339 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -13.678 -2.883 -1.648 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.568 -4.130 -2.190 1.00 0.00 C ATOM 0 H LEU A 69 -11.172 -4.765 1.981 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.084 -2.684 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.009 -5.212 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.508 -4.386 0.675 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.428 -5.002 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.852 -2.820 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.634 -2.950 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.145 -1.993 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.832 -4.015 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.923 -3.305 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.041 -5.074 -2.049 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.519 -2.314 2.308 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.479 -1.385 2.888 1.00 0.00 C ATOM 1150 C GLU A 70 -13.778 -0.283 3.689 1.00 0.00 C ATOM 1151 O GLU A 70 -14.243 0.853 3.692 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.460 -2.155 3.780 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.261 -3.197 2.986 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.228 -3.960 3.887 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.427 -3.968 3.618 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.672 -4.600 4.955 1.00 0.00 O ATOM 0 H GLU A 70 -13.554 -3.240 2.733 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.026 -0.902 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.910 -2.652 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.147 -1.454 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.817 -2.702 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.576 -3.898 2.508 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.659 -0.614 4.351 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.762 0.328 5.025 1.00 0.00 C ATOM 1166 C ARG A 71 -11.475 1.546 4.144 1.00 0.00 C ATOM 1167 O ARG A 71 -11.489 2.674 4.626 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.506 -0.427 5.502 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.134 0.074 5.039 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.676 1.291 5.840 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.459 1.866 5.251 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.438 2.789 4.277 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -8.556 3.407 3.883 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.281 3.109 3.688 1.00 0.00 N ATOM 0 H ARG A 71 -12.345 -1.581 4.433 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.240 0.740 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.510 -0.423 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.604 -1.466 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.401 -0.726 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.179 0.331 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.467 2.040 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.486 1.003 6.874 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.562 1.539 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.447 3.180 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.518 4.106 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.417 2.652 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.263 3.810 2.947 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.244 1.314 2.850 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.087 2.378 1.862 1.00 0.00 C ATOM 1190 C ILE A 72 -12.405 3.120 1.634 1.00 0.00 C ATOM 1191 O ILE A 72 -12.464 4.329 1.851 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.448 1.846 0.568 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.009 1.374 0.845 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.429 2.921 -0.529 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.581 0.304 -0.162 1.00 0.00 C ATOM 0 H ILE A 72 -11.160 0.376 2.458 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.391 3.119 2.256 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.051 1.007 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.327 2.223 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.942 0.974 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.971 2.513 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.450 3.233 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.853 3.780 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.561 -0.013 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.250 -0.553 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.626 0.715 -1.171 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.444 2.426 1.158 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.652 3.089 0.677 1.00 0.00 C ATOM 1209 C LYS A 73 -15.297 3.928 1.785 1.00 0.00 C ATOM 1210 O LYS A 73 -15.601 5.100 1.575 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.641 2.064 0.102 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.314 1.664 -1.349 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.085 0.754 -1.469 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.674 0.486 -2.922 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.712 -0.231 -3.640 1.00 0.00 N ATOM 0 H LYS A 73 -13.469 1.408 1.097 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.371 3.769 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.638 1.172 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.649 2.477 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.176 1.156 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.148 2.566 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.249 1.211 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.294 -0.195 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.468 1.431 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.750 -0.092 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.329 -0.589 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.046 -1.029 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.507 0.411 -3.835 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.466 3.327 2.968 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.994 3.972 4.164 1.00 0.00 C ATOM 1230 C GLN A 74 -14.843 4.481 5.047 1.00 0.00 C ATOM 1231 O GLN A 74 -14.914 4.409 6.273 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.901 2.965 4.893 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.889 3.640 5.857 1.00 0.00 C ATOM 1234 CD GLN A 74 -18.752 2.628 6.609 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -18.666 1.424 6.379 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -19.592 3.118 7.522 1.00 0.00 N ATOM 0 H GLN A 74 -15.230 2.346 3.119 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.590 4.847 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.458 2.386 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.281 2.262 5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.336 4.246 6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.533 4.318 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -19.637 4.124 7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.190 2.487 8.056 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.775 5.007 4.435 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.646 5.576 5.153 1.00 0.00 C ATOM 1247 C GLY A 75 -11.592 6.015 4.139 1.00 0.00 C ATOM 1248 O GLY A 75 -10.608 5.304 3.950 1.00 0.00 O ATOM 0 H GLY A 75 -13.677 5.046 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.970 6.426 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.226 4.841 5.840 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.798 7.149 3.447 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.011 7.534 2.283 1.00 0.00 C ATOM 1254 C PRO A 76 -9.522 7.710 2.610 1.00 0.00 C ATOM 1255 O PRO A 76 -9.156 7.849 3.777 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.657 8.823 1.751 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.451 9.365 2.937 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.869 8.101 3.682 1.00 0.00 C ATOM 0 HA PRO A 76 -11.022 6.750 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.904 9.537 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.305 8.621 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.844 10.019 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.315 9.945 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.996 8.295 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.821 7.722 3.311 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.649 7.698 1.586 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.197 7.722 1.744 1.00 0.00 C ATOM 1268 C PRO A 77 -6.643 9.019 2.356 1.00 0.00 C ATOM 1269 O PRO A 77 -5.433 9.121 2.544 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.637 7.478 0.335 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.753 7.934 -0.598 1.00 0.00 C ATOM 1272 CD PRO A 77 -9.009 7.564 0.181 1.00 0.00 C ATOM 0 HA PRO A 77 -6.890 6.960 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.721 8.045 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.394 6.427 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.701 9.004 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.709 7.426 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.839 8.223 -0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.327 6.547 -0.047 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.506 10.001 2.650 1.00 0.00 N ATOM 1281 CA ALA A 78 -7.160 11.347 3.092 1.00 0.00 C ATOM 1282 C ALA A 78 -6.511 12.126 1.947 1.00 0.00 C ATOM 1283 O ALA A 78 -5.709 13.029 2.174 1.00 0.00 O ATOM 1284 CB ALA A 78 -6.322 11.337 4.378 1.00 0.00 C ATOM 0 H ALA A 78 -8.514 9.865 2.580 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.077 11.872 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.089 12.361 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.886 10.853 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.396 10.789 4.204 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.890 11.770 0.713 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.453 12.384 -0.520 1.00 0.00 C ATOM 1292 C ALA A 79 -7.623 12.354 -1.503 1.00 0.00 C ATOM 1293 O ALA A 79 -8.593 11.622 -1.296 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.269 11.597 -1.064 1.00 0.00 C ATOM 0 H ALA A 79 -7.545 11.004 0.554 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.141 13.417 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.928 12.049 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.458 11.610 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.572 10.567 -1.251 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.534 13.152 -2.571 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.610 13.305 -3.541 1.00 0.00 C ATOM 1302 C GLU A 80 -8.655 12.112 -4.502 1.00 0.00 C ATOM 1303 O GLU A 80 -8.181 12.195 -5.635 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.464 14.637 -4.288 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.497 15.839 -3.338 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.387 17.148 -4.113 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -7.288 17.516 -4.522 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.552 17.831 -4.300 1.00 0.00 O ATOM 0 H GLU A 80 -6.707 13.711 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.562 13.323 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.526 14.640 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.267 14.732 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.423 15.828 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.678 15.765 -2.623 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.260 11.012 -4.039 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.575 9.848 -4.854 1.00 0.00 C ATOM 1318 C VAL A 81 -10.627 10.219 -5.893 1.00 0.00 C ATOM 1319 O VAL A 81 -11.668 10.787 -5.568 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.989 8.669 -3.951 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.286 8.898 -3.163 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -10.114 7.372 -4.761 1.00 0.00 C ATOM 0 H VAL A 81 -9.548 10.911 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.694 9.518 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.186 8.585 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.502 8.020 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.170 9.768 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.108 9.070 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.407 6.557 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.869 7.499 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.155 7.138 -5.223 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.311 9.925 -7.156 1.00 0.00 N ATOM 1333 CA GLU A 82 -11.123 10.267 -8.304 1.00 0.00 C ATOM 1334 C GLU A 82 -12.041 9.094 -8.644 1.00 0.00 C ATOM 1335 O GLU A 82 -13.251 9.284 -8.750 1.00 0.00 O ATOM 1336 CB GLU A 82 -10.188 10.657 -9.459 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.929 11.086 -10.731 1.00 0.00 C ATOM 1338 CD GLU A 82 -11.759 12.348 -10.516 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -12.979 12.257 -10.404 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -11.061 13.518 -10.465 1.00 0.00 O ATOM 0 H GLU A 82 -9.456 9.428 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.770 11.120 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.542 11.472 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.541 9.811 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.207 11.259 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.580 10.277 -11.061 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.476 7.888 -8.816 1.00 0.00 N ATOM 1349 CA LYS A 83 -12.235 6.731 -9.284 1.00 0.00 C ATOM 1350 C LYS A 83 -11.487 5.416 -9.049 1.00 0.00 C ATOM 1351 O LYS A 83 -10.962 4.812 -9.978 1.00 0.00 O ATOM 1352 CB LYS A 83 -12.644 6.915 -10.756 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.456 7.201 -11.689 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.916 7.628 -13.084 1.00 0.00 C ATOM 1355 CE LYS A 83 -10.679 7.866 -13.958 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.074 8.240 -15.300 1.00 0.00 N ATOM 0 H LYS A 83 -10.491 7.695 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.147 6.666 -8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.157 6.016 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.358 7.736 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.835 7.985 -11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.834 6.309 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.548 6.858 -13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.516 8.536 -13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.063 8.652 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.069 6.963 -13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.226 8.398 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.643 7.477 -15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.637 9.114 -15.265 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.472 4.949 -7.799 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.825 3.694 -7.419 1.00 0.00 C ATOM 1371 C VAL A 84 -11.555 2.490 -8.033 1.00 0.00 C ATOM 1372 O VAL A 84 -12.478 1.933 -7.444 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.623 3.618 -5.893 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.894 3.799 -5.048 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.915 2.311 -5.508 1.00 0.00 C ATOM 0 H VAL A 84 -11.912 5.435 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.821 3.662 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.998 4.479 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.641 3.728 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.330 4.777 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.614 3.021 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.781 2.275 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.519 1.462 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.941 2.267 -5.996 1.00 0.00 H new ATOM 1385 N ASP A 85 -11.132 2.100 -9.241 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.755 1.068 -10.053 1.00 0.00 C ATOM 1387 C ASP A 85 -10.948 -0.215 -9.887 1.00 0.00 C ATOM 1388 O ASP A 85 -10.035 -0.479 -10.670 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.796 1.537 -11.515 1.00 0.00 C ATOM 1390 CG ASP A 85 -12.411 0.483 -12.432 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -13.590 0.171 -12.286 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -11.583 -0.049 -13.376 1.00 0.00 O ATOM 0 H ASP A 85 -10.315 2.515 -9.690 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.781 0.876 -9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.372 2.460 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.785 1.766 -11.852 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.254 -0.991 -8.842 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.447 -2.151 -8.492 1.00 0.00 C ATOM 1400 C TYR A 86 -10.728 -3.347 -9.403 1.00 0.00 C ATOM 1401 O TYR A 86 -11.679 -3.343 -10.185 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.608 -2.501 -7.005 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.695 -3.509 -6.674 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.050 -3.147 -6.766 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.348 -4.821 -6.292 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.052 -4.070 -6.422 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.350 -5.742 -5.941 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.702 -5.364 -5.999 1.00 0.00 C ATOM 1409 OH TYR A 86 -14.679 -6.250 -5.647 1.00 0.00 O ATOM 0 H TYR A 86 -12.054 -0.833 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.402 -1.887 -8.656 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.657 -2.887 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.812 -1.582 -6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.322 -2.157 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.310 -5.119 -6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.092 -3.785 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.081 -6.740 -5.627 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.270 -7.099 -5.380 1.00 0.00 H new ATOM 1419 N SER A 87 -9.887 -4.376 -9.273 1.00 0.00 N ATOM 1420 CA SER A 87 -9.994 -5.639 -9.980 1.00 0.00 C ATOM 1421 C SER A 87 -9.653 -6.794 -9.035 1.00 0.00 C ATOM 1422 O SER A 87 -8.502 -6.964 -8.637 1.00 0.00 O ATOM 1423 CB SER A 87 -9.075 -5.639 -11.208 1.00 0.00 C ATOM 1424 OG SER A 87 -9.302 -4.492 -12.000 1.00 0.00 O ATOM 0 H SER A 87 -9.083 -4.343 -8.646 1.00 0.00 H new ATOM 0 HA SER A 87 -11.019 -5.771 -10.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.033 -5.667 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.251 -6.537 -11.800 1.00 0.00 H new ATOM 0 HG SER A 87 -8.706 -4.508 -12.778 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.659 -7.611 -8.709 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.471 -8.929 -8.117 1.00 0.00 C ATOM 1432 C PHE A 88 -9.783 -9.820 -9.160 1.00 0.00 C ATOM 1433 O PHE A 88 -10.153 -9.766 -10.333 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.853 -9.461 -7.716 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.893 -10.859 -7.121 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.762 -11.992 -7.948 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.192 -11.032 -5.755 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.845 -13.283 -7.401 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.315 -12.324 -5.216 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.119 -13.451 -6.032 1.00 0.00 C ATOM 0 H PHE A 88 -11.639 -7.367 -8.853 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.843 -8.904 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.289 -8.770 -6.994 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.494 -9.447 -8.598 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.597 -11.867 -9.008 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.327 -10.169 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.698 -14.147 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.561 -12.451 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.179 -14.443 -5.609 1.00 0.00 H new ATOM 1450 N SER A 89 -8.810 -10.644 -8.745 1.00 0.00 N ATOM 1451 CA SER A 89 -8.186 -11.632 -9.626 1.00 0.00 C ATOM 1452 C SER A 89 -7.479 -12.703 -8.792 1.00 0.00 C ATOM 1453 O SER A 89 -7.399 -12.605 -7.570 1.00 0.00 O ATOM 1454 CB SER A 89 -7.174 -11.007 -10.604 1.00 0.00 C ATOM 1455 OG SER A 89 -7.606 -9.799 -11.191 1.00 0.00 O ATOM 0 H SER A 89 -8.438 -10.642 -7.795 1.00 0.00 H new ATOM 0 HA SER A 89 -8.988 -12.073 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.238 -10.826 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.959 -11.726 -11.395 1.00 0.00 H new ATOM 0 HG SER A 89 -8.584 -9.800 -11.259 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.968 -13.739 -9.467 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.289 -14.865 -8.842 1.00 0.00 C ATOM 1463 C GLU A 90 -4.816 -14.536 -8.596 1.00 0.00 C ATOM 1464 O GLU A 90 -4.197 -13.826 -9.388 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.467 -16.138 -9.691 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.521 -16.280 -10.897 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.625 -15.140 -11.910 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -6.722 -14.651 -12.168 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -4.450 -14.734 -12.471 1.00 0.00 O ATOM 0 H GLU A 90 -7.019 -13.814 -10.483 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.742 -15.058 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.332 -17.005 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.494 -16.168 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.494 -16.337 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.734 -17.222 -11.403 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.252 -15.064 -7.504 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.839 -14.950 -7.206 1.00 0.00 C ATOM 1479 C TYR A 91 -2.038 -15.932 -8.064 1.00 0.00 C ATOM 1480 O TYR A 91 -2.334 -17.127 -8.087 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.623 -15.166 -5.702 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.550 -16.607 -5.227 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.710 -17.404 -5.180 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.305 -17.168 -4.882 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.627 -18.748 -4.784 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.226 -18.510 -4.472 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.388 -19.300 -4.418 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.320 -20.600 -4.011 1.00 0.00 O ATOM 0 H TYR A 91 -4.777 -15.585 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.478 -13.952 -7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.698 -14.665 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.433 -14.671 -5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.666 -16.980 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.410 -16.566 -4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.517 -19.359 -4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.272 -18.935 -4.198 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.391 -20.827 -3.795 1.00 0.00 H new ATOM 1498 N LYS A 92 -1.015 -15.425 -8.759 1.00 0.00 N ATOM 1499 CA LYS A 92 0.003 -16.256 -9.390 1.00 0.00 C ATOM 1500 C LYS A 92 1.055 -16.644 -8.351 1.00 0.00 C ATOM 1501 O LYS A 92 1.479 -17.795 -8.291 1.00 0.00 O ATOM 1502 CB LYS A 92 0.616 -15.585 -10.626 1.00 0.00 C ATOM 1503 CG LYS A 92 0.946 -14.098 -10.476 1.00 0.00 C ATOM 1504 CD LYS A 92 -0.180 -13.223 -11.043 1.00 0.00 C ATOM 1505 CE LYS A 92 0.029 -11.745 -10.701 1.00 0.00 C ATOM 1506 NZ LYS A 92 1.255 -11.237 -11.286 1.00 0.00 N ATOM 0 H LYS A 92 -0.873 -14.424 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.468 -17.167 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.530 -16.117 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.074 -15.703 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.100 -13.861 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.879 -13.875 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.226 -13.344 -12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.138 -13.558 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.818 -11.162 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.061 -11.621 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.310 -10.209 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.071 -11.696 -10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.264 -11.441 -12.306 1.00 0.00 H new ATOM 1519 N GLY A 93 1.451 -15.675 -7.518 1.00 0.00 N ATOM 1520 CA GLY A 93 2.380 -15.855 -6.422 1.00 0.00 C ATOM 1521 C GLY A 93 2.265 -14.672 -5.462 1.00 0.00 C ATOM 1522 O GLY A 93 1.730 -13.618 -5.813 1.00 0.00 O ATOM 0 H GLY A 93 1.116 -14.715 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.165 -16.786 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.399 -15.931 -6.803 1.00 0.00 H new ATOM 1526 N GLU A 94 2.764 -14.866 -4.238 1.00 0.00 N ATOM 1527 CA GLU A 94 2.728 -13.891 -3.174 1.00 0.00 C ATOM 1528 C GLU A 94 3.987 -13.032 -3.192 1.00 0.00 C ATOM 1529 O GLU A 94 5.069 -13.482 -3.567 1.00 0.00 O ATOM 1530 CB GLU A 94 2.512 -14.570 -1.816 1.00 0.00 C ATOM 1531 CG GLU A 94 3.639 -15.528 -1.410 1.00 0.00 C ATOM 1532 CD GLU A 94 3.373 -16.138 -0.036 1.00 0.00 C ATOM 1533 OE1 GLU A 94 4.186 -15.966 0.870 1.00 0.00 O ATOM 1534 OE2 GLU A 94 2.217 -16.849 0.087 1.00 0.00 O ATOM 0 H GLU A 94 3.216 -15.738 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 94 1.879 -13.228 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.409 -13.802 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.572 -15.122 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.731 -16.321 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.588 -14.993 -1.396 1.00 0.00 H new ATOM 1542 N PHE A 95 3.821 -11.792 -2.740 1.00 0.00 N ATOM 1543 CA PHE A 95 4.905 -10.899 -2.380 1.00 0.00 C ATOM 1544 C PHE A 95 5.454 -11.305 -1.013 1.00 0.00 C ATOM 1545 O PHE A 95 4.731 -11.872 -0.194 1.00 0.00 O ATOM 1546 CB PHE A 95 4.378 -9.465 -2.317 1.00 0.00 C ATOM 1547 CG PHE A 95 4.122 -8.816 -3.662 1.00 0.00 C ATOM 1548 CD1 PHE A 95 5.180 -8.207 -4.363 1.00 0.00 C ATOM 1549 CD2 PHE A 95 2.810 -8.712 -4.157 1.00 0.00 C ATOM 1550 CE1 PHE A 95 4.920 -7.468 -5.530 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.546 -7.947 -5.302 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.601 -7.328 -5.994 1.00 0.00 C ATOM 0 H PHE A 95 2.899 -11.374 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 95 5.699 -10.960 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.450 -9.460 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.094 -8.855 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 95 6.193 -8.308 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.003 -9.223 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.734 -7.008 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.531 -7.833 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.398 -6.746 -6.881 1.00 0.00 H new ATOM 1562 N GLU A 96 6.728 -10.985 -0.764 1.00 0.00 N ATOM 1563 CA GLU A 96 7.367 -11.131 0.528 1.00 0.00 C ATOM 1564 C GLU A 96 6.827 -10.071 1.494 1.00 0.00 C ATOM 1565 O GLU A 96 7.466 -9.049 1.732 1.00 0.00 O ATOM 1566 CB GLU A 96 8.900 -11.117 0.386 1.00 0.00 C ATOM 1567 CG GLU A 96 9.467 -9.974 -0.474 1.00 0.00 C ATOM 1568 CD GLU A 96 10.988 -9.910 -0.377 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.521 -8.943 0.161 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.665 -10.964 -0.915 1.00 0.00 O ATOM 0 H GLU A 96 7.350 -10.609 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 96 7.122 -12.103 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.341 -11.055 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.218 -12.067 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.172 -10.118 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.039 -9.025 -0.150 1.00 0.00 H new ATOM 1578 N ASP A 97 5.625 -10.324 2.030 1.00 0.00 N ATOM 1579 CA ASP A 97 4.865 -9.398 2.864 1.00 0.00 C ATOM 1580 C ASP A 97 4.378 -8.209 2.030 1.00 0.00 C ATOM 1581 O ASP A 97 4.312 -8.294 0.804 1.00 0.00 O ATOM 1582 CB ASP A 97 5.640 -9.012 4.138 1.00 0.00 C ATOM 1583 CG ASP A 97 6.187 -10.242 4.861 1.00 0.00 C ATOM 1584 OD1 ASP A 97 7.401 -10.404 4.948 1.00 0.00 O ATOM 1585 OD2 ASP A 97 5.254 -11.099 5.365 1.00 0.00 O ATOM 0 H ASP A 97 5.143 -11.211 1.887 1.00 0.00 H new ATOM 0 HA ASP A 97 3.968 -9.897 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.464 -8.348 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.984 -8.457 4.809 1.00 0.00 H new ATOM 1591 N PHE A 98 3.987 -7.126 2.709 1.00 0.00 N ATOM 1592 CA PHE A 98 3.378 -5.942 2.119 1.00 0.00 C ATOM 1593 C PHE A 98 4.190 -4.721 2.544 1.00 0.00 C ATOM 1594 O PHE A 98 4.259 -4.430 3.738 1.00 0.00 O ATOM 1595 CB PHE A 98 1.925 -5.858 2.612 1.00 0.00 C ATOM 1596 CG PHE A 98 0.912 -5.118 1.755 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.234 -3.930 1.071 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.427 -5.542 1.799 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.222 -3.178 0.450 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.434 -4.803 1.160 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.110 -3.620 0.483 1.00 0.00 C ATOM 0 H PHE A 98 4.092 -7.053 3.721 1.00 0.00 H new ATOM 0 HA PHE A 98 3.373 -5.987 1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.562 -6.876 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.935 -5.387 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.260 -3.596 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.684 -6.446 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.470 -2.256 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.458 -5.146 1.190 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.882 -3.050 -0.012 1.00 0.00 H new ATOM 1611 N GLU A 99 4.819 -4.026 1.585 1.00 0.00 N ATOM 1612 CA GLU A 99 5.594 -2.822 1.868 1.00 0.00 C ATOM 1613 C GLU A 99 5.158 -1.693 0.936 1.00 0.00 C ATOM 1614 O GLU A 99 4.442 -1.930 -0.034 1.00 0.00 O ATOM 1615 CB GLU A 99 7.088 -3.152 1.759 1.00 0.00 C ATOM 1616 CG GLU A 99 7.987 -1.969 2.143 1.00 0.00 C ATOM 1617 CD GLU A 99 9.446 -2.402 2.260 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.227 -2.154 1.344 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.784 -3.053 3.409 1.00 0.00 O ATOM 0 H GLU A 99 4.802 -4.286 0.599 1.00 0.00 H new ATOM 0 HA GLU A 99 5.411 -2.473 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.316 -4.000 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.314 -3.458 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.897 -1.182 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.653 -1.547 3.091 1.00 0.00 H new ATOM 1627 N THR A 100 5.565 -0.460 1.250 1.00 0.00 N ATOM 1628 CA THR A 100 5.171 0.732 0.520 1.00 0.00 C ATOM 1629 C THR A 100 6.345 1.254 -0.318 1.00 0.00 C ATOM 1630 O THR A 100 7.426 1.500 0.216 1.00 0.00 O ATOM 1631 CB THR A 100 4.562 1.764 1.491 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.488 2.748 1.902 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.962 1.111 2.744 1.00 0.00 C ATOM 0 H THR A 100 6.188 -0.267 2.034 1.00 0.00 H new ATOM 0 HA THR A 100 4.384 0.501 -0.198 1.00 0.00 H new ATOM 0 HB THR A 100 3.769 2.242 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.049 3.375 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.547 1.882 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.172 0.420 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.740 0.567 3.279 1.00 0.00 H new ATOM 1641 N TYR A 101 6.131 1.395 -1.631 1.00 0.00 N ATOM 1642 CA TYR A 101 7.064 1.991 -2.584 1.00 0.00 C ATOM 1643 C TYR A 101 6.549 3.387 -2.933 1.00 0.00 C ATOM 1644 O TYR A 101 7.400 4.280 -3.133 1.00 0.00 O ATOM 1645 CB TYR A 101 7.209 1.059 -3.803 1.00 0.00 C ATOM 1646 CG TYR A 101 7.719 1.667 -5.102 1.00 0.00 C ATOM 1647 CD1 TYR A 101 6.901 2.524 -5.865 1.00 0.00 C ATOM 1648 CD2 TYR A 101 8.937 1.220 -5.649 1.00 0.00 C ATOM 1649 CE1 TYR A 101 7.356 3.034 -7.091 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.399 1.736 -6.872 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.617 2.662 -7.583 1.00 0.00 C ATOM 1652 OH TYR A 101 9.078 3.187 -8.754 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.309 3.539 -3.000 1.00 0.00 O ATOM 0 H TYR A 101 5.266 1.083 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 101 8.065 2.104 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.881 0.247 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.235 0.612 -4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.918 2.790 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.520 0.476 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.735 3.713 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.354 1.421 -7.265 1.00 0.00 H new ATOM 0 HH TYR A 101 9.967 2.824 -8.948 1.00 0.00 H new