USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00395 USER MOD Single : A 41 LYS NZ :NH3+ -135:sc= -0.341 (180deg=-1.15) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 136:sc= -1.02 USER MOD Single : A 50 ASN : amide:sc= -0.754 K(o=-0.75,f=-1.7!) USER MOD Single : A 51 THR OG1 : rot -56:sc= -1.94! USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 70 SER OG : rot 103:sc= 0.489 USER MOD Single : A 71 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.520 9.030 3.867 1.00 0.00 N ATOM 230 CA VAL A 22 8.080 9.357 4.068 1.00 0.00 C ATOM 231 C VAL A 22 7.231 8.496 3.131 1.00 0.00 C ATOM 232 O VAL A 22 7.664 8.110 2.063 1.00 0.00 O ATOM 233 CB VAL A 22 7.846 10.836 3.756 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.437 11.238 4.196 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.874 11.682 4.513 1.00 0.00 C ATOM 0 HA VAL A 22 7.799 9.156 5.102 1.00 0.00 H new ATOM 0 HB VAL A 22 7.951 11.001 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.273 12.292 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.703 10.635 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.330 11.073 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.710 12.737 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.765 11.514 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.879 11.398 4.201 1.00 0.00 H new ATOM 245 N VAL A 23 6.023 8.192 3.520 1.00 0.00 N ATOM 246 CA VAL A 23 5.149 7.359 2.650 1.00 0.00 C ATOM 247 C VAL A 23 4.244 8.273 1.826 1.00 0.00 C ATOM 248 O VAL A 23 3.578 9.142 2.353 1.00 0.00 O ATOM 249 CB VAL A 23 4.290 6.439 3.520 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.570 5.421 2.632 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.184 5.700 4.517 1.00 0.00 C ATOM 0 H VAL A 23 5.605 8.485 4.403 1.00 0.00 H new ATOM 0 HA VAL A 23 5.764 6.754 1.984 1.00 0.00 H new ATOM 0 HB VAL A 23 3.555 7.034 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.958 4.766 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.933 5.946 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.305 4.826 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.573 5.044 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.919 5.105 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.698 6.423 5.150 1.00 0.00 H new ATOM 261 N GLU A 24 4.216 8.090 0.535 1.00 0.00 N ATOM 262 CA GLU A 24 3.356 8.957 -0.315 1.00 0.00 C ATOM 263 C GLU A 24 1.991 8.295 -0.509 1.00 0.00 C ATOM 264 O GLU A 24 0.982 8.958 -0.632 1.00 0.00 O ATOM 265 CB GLU A 24 4.024 9.158 -1.678 1.00 0.00 C ATOM 266 CG GLU A 24 4.964 10.363 -1.614 1.00 0.00 C ATOM 267 CD GLU A 24 4.387 11.507 -2.450 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.173 11.596 -2.537 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.168 12.273 -2.990 1.00 0.00 O ATOM 0 H GLU A 24 4.750 7.380 0.034 1.00 0.00 H new ATOM 0 HA GLU A 24 3.223 9.923 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.581 8.264 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.267 9.315 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.092 10.683 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.951 10.088 -1.987 1.00 0.00 H new ATOM 276 N LYS A 25 1.951 6.990 -0.537 1.00 0.00 N ATOM 277 CA LYS A 25 0.647 6.295 -0.723 1.00 0.00 C ATOM 278 C LYS A 25 0.892 4.819 -1.046 1.00 0.00 C ATOM 279 O LYS A 25 2.017 4.368 -1.124 1.00 0.00 O ATOM 280 CB LYS A 25 -0.117 6.947 -1.877 1.00 0.00 C ATOM 281 CG LYS A 25 -1.287 7.762 -1.320 1.00 0.00 C ATOM 282 CD LYS A 25 -2.525 7.535 -2.189 1.00 0.00 C ATOM 283 CE LYS A 25 -2.870 8.824 -2.935 1.00 0.00 C ATOM 284 NZ LYS A 25 -4.343 9.042 -2.898 1.00 0.00 N ATOM 0 H LYS A 25 2.761 6.378 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 25 0.062 6.373 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.549 7.592 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.486 6.182 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.493 7.467 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.031 8.821 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.340 6.730 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.366 7.226 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.355 9.669 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.527 8.762 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.577 9.919 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.824 8.240 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.658 9.120 -1.910 1.00 0.00 H new ATOM 298 N VAL A 26 -0.157 4.065 -1.237 1.00 0.00 N ATOM 299 CA VAL A 26 0.011 2.618 -1.557 1.00 0.00 C ATOM 300 C VAL A 26 -0.128 2.418 -3.066 1.00 0.00 C ATOM 301 O VAL A 26 -1.113 2.804 -3.665 1.00 0.00 O ATOM 302 CB VAL A 26 -1.063 1.801 -0.832 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.513 0.414 -0.498 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.464 2.510 0.463 1.00 0.00 C ATOM 0 H VAL A 26 -1.123 4.388 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 26 0.996 2.285 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.935 1.703 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.278 -0.166 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.230 -0.096 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.361 0.514 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.228 1.926 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.591 2.611 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.859 3.499 0.229 1.00 0.00 H new ATOM 314 N LEU A 27 0.849 1.819 -3.689 1.00 0.00 N ATOM 315 CA LEU A 27 0.770 1.599 -5.161 1.00 0.00 C ATOM 316 C LEU A 27 0.166 0.221 -5.445 1.00 0.00 C ATOM 317 O LEU A 27 -0.417 -0.005 -6.486 1.00 0.00 O ATOM 318 CB LEU A 27 2.173 1.674 -5.764 1.00 0.00 C ATOM 319 CG LEU A 27 2.333 2.995 -6.519 1.00 0.00 C ATOM 320 CD1 LEU A 27 1.463 2.972 -7.777 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.894 4.151 -5.618 1.00 0.00 C ATOM 0 H LEU A 27 1.698 1.472 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 27 0.140 2.368 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.923 1.599 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.335 0.834 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 27 3.377 3.129 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.577 3.913 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.773 2.147 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.419 2.839 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.007 5.093 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.850 4.017 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.512 4.168 -4.720 1.00 0.00 H new ATOM 333 N ASP A 28 0.300 -0.701 -4.531 1.00 0.00 N ATOM 334 CA ASP A 28 -0.271 -2.059 -4.762 1.00 0.00 C ATOM 335 C ASP A 28 -0.089 -2.917 -3.510 1.00 0.00 C ATOM 336 O ASP A 28 0.456 -2.478 -2.517 1.00 0.00 O ATOM 337 CB ASP A 28 0.450 -2.719 -5.940 1.00 0.00 C ATOM 338 CG ASP A 28 -0.572 -3.115 -7.007 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.639 -3.575 -6.636 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.269 -2.951 -8.178 1.00 0.00 O ATOM 0 H ASP A 28 0.778 -0.574 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.334 -1.970 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.184 -2.032 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.995 -3.599 -5.599 1.00 0.00 H new ATOM 345 N ARG A 29 -0.541 -4.141 -3.552 1.00 0.00 N ATOM 346 CA ARG A 29 -0.395 -5.034 -2.368 1.00 0.00 C ATOM 347 C ARG A 29 -0.189 -6.473 -2.841 1.00 0.00 C ATOM 348 O ARG A 29 -0.625 -6.854 -3.911 1.00 0.00 O ATOM 349 CB ARG A 29 -1.659 -4.955 -1.510 1.00 0.00 C ATOM 350 CG ARG A 29 -2.826 -5.604 -2.255 1.00 0.00 C ATOM 351 CD ARG A 29 -4.114 -5.418 -1.452 1.00 0.00 C ATOM 352 NE ARG A 29 -4.549 -6.731 -0.899 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.276 -7.537 -1.623 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.729 -8.210 -2.599 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.549 -7.671 -1.372 1.00 0.00 N ATOM 0 H ARG A 29 -1.006 -4.561 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 29 0.464 -4.718 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.496 -5.460 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.892 -3.915 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.934 -5.157 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.629 -6.666 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.951 -4.707 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.895 -5.003 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.278 -7.000 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.734 -8.106 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.297 -8.840 -3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.977 -7.146 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.117 -8.301 -1.938 1.00 0.00 H new ATOM 369 N ARG A 30 0.474 -7.279 -2.057 1.00 0.00 N ATOM 370 CA ARG A 30 0.708 -8.692 -2.469 1.00 0.00 C ATOM 371 C ARG A 30 0.926 -9.557 -1.224 1.00 0.00 C ATOM 372 O ARG A 30 1.583 -9.156 -0.285 1.00 0.00 O ATOM 373 CB ARG A 30 1.949 -8.762 -3.363 1.00 0.00 C ATOM 374 CG ARG A 30 2.383 -10.221 -3.530 1.00 0.00 C ATOM 375 CD ARG A 30 3.732 -10.272 -4.249 1.00 0.00 C ATOM 376 NE ARG A 30 4.814 -10.536 -3.259 1.00 0.00 N ATOM 377 CZ ARG A 30 5.882 -11.193 -3.620 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.808 -12.473 -3.866 1.00 0.00 N ATOM 379 NH2 ARG A 30 7.024 -10.573 -3.733 1.00 0.00 N ATOM 0 H ARG A 30 0.863 -7.020 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.158 -9.059 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.733 -8.323 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.759 -8.180 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.460 -10.703 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.634 -10.772 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.722 -11.053 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.918 -9.329 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 30 4.720 -10.203 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.916 -12.959 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.642 -12.987 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.083 -9.573 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.858 -11.088 -4.015 1.00 0.00 H new ATOM 393 N VAL A 31 0.380 -10.741 -1.213 1.00 0.00 N ATOM 394 CA VAL A 31 0.559 -11.632 -0.032 1.00 0.00 C ATOM 395 C VAL A 31 1.475 -12.797 -0.412 1.00 0.00 C ATOM 396 O VAL A 31 1.495 -13.243 -1.542 1.00 0.00 O ATOM 397 CB VAL A 31 -0.807 -12.169 0.414 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.619 -13.398 1.308 1.00 0.00 C ATOM 399 CG2 VAL A 31 -1.543 -11.084 1.202 1.00 0.00 C ATOM 0 H VAL A 31 -0.182 -11.130 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 31 1.009 -11.071 0.787 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.386 -12.449 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.594 -13.773 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.092 -14.174 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.037 -13.122 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.515 -11.462 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.955 -10.809 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.684 -10.208 0.570 1.00 0.00 H new ATOM 409 N VAL A 32 2.231 -13.294 0.526 1.00 0.00 N ATOM 410 CA VAL A 32 3.144 -14.431 0.224 1.00 0.00 C ATOM 411 C VAL A 32 2.491 -15.735 0.678 1.00 0.00 C ATOM 412 O VAL A 32 2.663 -16.773 0.073 1.00 0.00 O ATOM 413 CB VAL A 32 4.463 -14.235 0.972 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.436 -15.354 0.596 1.00 0.00 C ATOM 415 CG2 VAL A 32 5.070 -12.883 0.589 1.00 0.00 C ATOM 0 H VAL A 32 2.256 -12.962 1.490 1.00 0.00 H new ATOM 0 HA VAL A 32 3.337 -14.472 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 32 4.278 -14.261 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.376 -15.213 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.005 -16.318 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.621 -15.329 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.010 -12.742 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.254 -12.858 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.378 -12.085 0.857 1.00 0.00 H new ATOM 425 N LYS A 33 1.744 -15.688 1.748 1.00 0.00 N ATOM 426 CA LYS A 33 1.078 -16.922 2.253 1.00 0.00 C ATOM 427 C LYS A 33 0.636 -16.698 3.701 1.00 0.00 C ATOM 428 O LYS A 33 0.714 -17.583 4.529 1.00 0.00 O ATOM 429 CB LYS A 33 2.066 -18.088 2.199 1.00 0.00 C ATOM 430 CG LYS A 33 3.465 -17.581 2.552 1.00 0.00 C ATOM 431 CD LYS A 33 4.094 -18.500 3.599 1.00 0.00 C ATOM 432 CE LYS A 33 5.118 -17.714 4.419 1.00 0.00 C ATOM 433 NZ LYS A 33 5.466 -18.481 5.649 1.00 0.00 N ATOM 0 H LYS A 33 1.566 -14.846 2.295 1.00 0.00 H new ATOM 0 HA LYS A 33 0.210 -17.151 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.763 -18.869 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.068 -18.532 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.088 -17.551 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.408 -16.562 2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.322 -18.905 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.576 -19.348 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.014 -17.533 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.712 -16.739 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.162 -17.946 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.609 -18.632 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.870 -19.401 5.382 1.00 0.00 H new ATOM 447 N GLY A 34 0.178 -15.516 4.013 1.00 0.00 N ATOM 448 CA GLY A 34 -0.264 -15.231 5.406 1.00 0.00 C ATOM 449 C GLY A 34 0.317 -13.890 5.857 1.00 0.00 C ATOM 450 O GLY A 34 -0.228 -13.222 6.712 1.00 0.00 O ATOM 0 H GLY A 34 0.091 -14.735 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.353 -15.204 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.066 -16.026 6.074 1.00 0.00 H new ATOM 454 N LYS A 35 1.421 -13.489 5.285 1.00 0.00 N ATOM 455 CA LYS A 35 2.036 -12.190 5.679 1.00 0.00 C ATOM 456 C LYS A 35 1.569 -11.095 4.717 1.00 0.00 C ATOM 457 O LYS A 35 2.293 -10.681 3.833 1.00 0.00 O ATOM 458 CB LYS A 35 3.561 -12.307 5.619 1.00 0.00 C ATOM 459 CG LYS A 35 4.044 -13.256 6.718 1.00 0.00 C ATOM 460 CD LYS A 35 5.357 -12.732 7.304 1.00 0.00 C ATOM 461 CE LYS A 35 5.064 -11.917 8.565 1.00 0.00 C ATOM 462 NZ LYS A 35 6.158 -10.930 8.784 1.00 0.00 N ATOM 0 H LYS A 35 1.923 -14.005 4.562 1.00 0.00 H new ATOM 0 HA LYS A 35 1.733 -11.936 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.870 -12.678 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.017 -11.325 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.290 -13.336 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.189 -14.257 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.019 -13.564 7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.874 -12.113 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.109 -11.401 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.979 -12.579 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.959 -10.376 9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.061 -11.433 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.219 -10.292 7.965 1.00 0.00 H new ATOM 476 N VAL A 36 0.362 -10.628 4.879 1.00 0.00 N ATOM 477 CA VAL A 36 -0.155 -9.564 3.973 1.00 0.00 C ATOM 478 C VAL A 36 0.862 -8.423 3.884 1.00 0.00 C ATOM 479 O VAL A 36 1.213 -7.811 4.874 1.00 0.00 O ATOM 480 CB VAL A 36 -1.479 -9.027 4.522 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.856 -7.738 3.787 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.577 -10.071 4.310 1.00 0.00 C ATOM 0 H VAL A 36 -0.289 -10.938 5.600 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.315 -9.982 2.979 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.371 -8.819 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.799 -7.358 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.074 -6.993 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.963 -7.944 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.521 -9.691 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.682 -10.278 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.312 -10.989 4.834 1.00 0.00 H new ATOM 492 N GLU A 37 1.334 -8.131 2.703 1.00 0.00 N ATOM 493 CA GLU A 37 2.324 -7.030 2.545 1.00 0.00 C ATOM 494 C GLU A 37 1.679 -5.879 1.770 1.00 0.00 C ATOM 495 O GLU A 37 0.693 -6.059 1.081 1.00 0.00 O ATOM 496 CB GLU A 37 3.543 -7.543 1.775 1.00 0.00 C ATOM 497 CG GLU A 37 4.079 -8.808 2.451 1.00 0.00 C ATOM 498 CD GLU A 37 5.599 -8.868 2.290 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.065 -8.680 1.178 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.270 -9.101 3.280 1.00 0.00 O ATOM 0 H GLU A 37 1.076 -8.609 1.840 1.00 0.00 H new ATOM 0 HA GLU A 37 2.639 -6.679 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.270 -7.758 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.318 -6.777 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.814 -8.808 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.621 -9.692 2.008 1.00 0.00 H new ATOM 507 N TYR A 38 2.224 -4.698 1.874 1.00 0.00 N ATOM 508 CA TYR A 38 1.635 -3.542 1.140 1.00 0.00 C ATOM 509 C TYR A 38 2.748 -2.748 0.454 1.00 0.00 C ATOM 510 O TYR A 38 3.596 -2.164 1.100 1.00 0.00 O ATOM 511 CB TYR A 38 0.896 -2.635 2.126 1.00 0.00 C ATOM 512 CG TYR A 38 -0.501 -3.162 2.347 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.479 -2.992 1.359 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.819 -3.822 3.542 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.775 -3.482 1.564 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.116 -4.311 3.748 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.095 -4.142 2.759 1.00 0.00 C ATOM 518 OH TYR A 38 -4.371 -4.625 2.961 1.00 0.00 O ATOM 0 H TYR A 38 3.049 -4.484 2.434 1.00 0.00 H new ATOM 0 HA TYR A 38 0.936 -3.909 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.435 -2.595 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.855 -1.617 1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.234 -2.483 0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.065 -3.954 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.528 -3.351 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.361 -4.818 4.669 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.422 -5.056 3.840 1.00 0.00 H new ATOM 528 N LEU A 39 2.752 -2.720 -0.850 1.00 0.00 N ATOM 529 CA LEU A 39 3.810 -1.961 -1.576 1.00 0.00 C ATOM 530 C LEU A 39 3.456 -0.473 -1.574 1.00 0.00 C ATOM 531 O LEU A 39 2.429 -0.071 -2.080 1.00 0.00 O ATOM 532 CB LEU A 39 3.899 -2.463 -3.020 1.00 0.00 C ATOM 533 CG LEU A 39 4.940 -1.642 -3.782 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.625 -2.528 -4.823 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.249 -0.472 -4.485 1.00 0.00 C ATOM 0 H LEU A 39 2.069 -3.189 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 39 4.770 -2.109 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.172 -3.518 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.927 -2.379 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 39 5.684 -1.260 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.367 -1.943 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.116 -3.363 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.881 -2.910 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.990 0.114 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.505 -0.855 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.759 0.160 -3.744 1.00 0.00 H new ATOM 547 N LEU A 40 4.298 0.348 -1.007 1.00 0.00 N ATOM 548 CA LEU A 40 4.004 1.809 -0.974 1.00 0.00 C ATOM 549 C LEU A 40 5.192 2.584 -1.545 1.00 0.00 C ATOM 550 O LEU A 40 6.297 2.082 -1.620 1.00 0.00 O ATOM 551 CB LEU A 40 3.758 2.248 0.472 1.00 0.00 C ATOM 552 CG LEU A 40 2.657 1.385 1.088 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.241 0.542 2.221 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.554 2.290 1.644 1.00 0.00 C ATOM 0 H LEU A 40 5.175 0.071 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 40 3.116 2.013 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.676 2.154 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.469 3.299 0.500 1.00 0.00 H new ATOM 0 HG LEU A 40 2.241 0.728 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.455 -0.073 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.028 -0.101 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.657 1.198 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.768 1.677 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.972 2.946 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.136 2.892 0.837 1.00 0.00 H new ATOM 566 N LYS A 41 4.976 3.807 -1.947 1.00 0.00 N ATOM 567 CA LYS A 41 6.093 4.616 -2.513 1.00 0.00 C ATOM 568 C LYS A 41 6.728 5.453 -1.399 1.00 0.00 C ATOM 569 O LYS A 41 6.213 5.535 -0.302 1.00 0.00 O ATOM 570 CB LYS A 41 5.551 5.544 -3.601 1.00 0.00 C ATOM 571 CG LYS A 41 4.604 4.763 -4.514 1.00 0.00 C ATOM 572 CD LYS A 41 5.419 3.976 -5.543 1.00 0.00 C ATOM 573 CE LYS A 41 5.340 4.676 -6.900 1.00 0.00 C ATOM 574 NZ LYS A 41 5.497 3.670 -7.988 1.00 0.00 N ATOM 0 H LYS A 41 4.074 4.281 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 41 6.842 3.952 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.025 6.385 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.374 5.959 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.991 4.083 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.923 5.447 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.457 3.902 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.037 2.958 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.384 5.190 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.119 5.434 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.156 4.034 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.872 2.785 -7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.573 3.488 -8.428 1.00 0.00 H new ATOM 588 N TRP A 42 7.842 6.074 -1.672 1.00 0.00 N ATOM 589 CA TRP A 42 8.505 6.904 -0.626 1.00 0.00 C ATOM 590 C TRP A 42 9.089 8.165 -1.266 1.00 0.00 C ATOM 591 O TRP A 42 9.895 8.096 -2.174 1.00 0.00 O ATOM 592 CB TRP A 42 9.629 6.098 0.029 1.00 0.00 C ATOM 593 CG TRP A 42 9.078 4.811 0.554 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.980 3.663 -0.155 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.549 4.522 1.880 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.425 2.686 0.652 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.142 3.167 1.915 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.384 5.297 3.044 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.590 2.600 3.065 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.830 4.729 4.204 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.435 3.383 4.215 1.00 0.00 C ATOM 0 H TRP A 42 8.321 6.043 -2.572 1.00 0.00 H new ATOM 0 HA TRP A 42 7.772 7.187 0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.419 5.899 -0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.078 6.672 0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.285 3.531 -1.183 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.247 1.728 0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.685 6.334 3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.285 1.564 3.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.708 5.332 5.092 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.012 2.951 5.110 1.00 0.00 H new ATOM 612 N LYS A 43 8.690 9.316 -0.799 1.00 0.00 N ATOM 613 CA LYS A 43 9.222 10.580 -1.379 1.00 0.00 C ATOM 614 C LYS A 43 10.656 10.805 -0.891 1.00 0.00 C ATOM 615 O LYS A 43 11.333 11.716 -1.324 1.00 0.00 O ATOM 616 CB LYS A 43 8.344 11.752 -0.934 1.00 0.00 C ATOM 617 CG LYS A 43 8.580 12.034 0.551 1.00 0.00 C ATOM 618 CD LYS A 43 9.346 13.348 0.706 1.00 0.00 C ATOM 619 CE LYS A 43 8.560 14.479 0.042 1.00 0.00 C ATOM 620 NZ LYS A 43 8.504 15.652 0.959 1.00 0.00 N ATOM 0 H LYS A 43 8.018 9.435 -0.041 1.00 0.00 H new ATOM 0 HA LYS A 43 9.216 10.511 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.576 12.638 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.293 11.519 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.627 12.092 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.143 11.217 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.500 13.569 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.333 13.261 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.033 14.762 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.551 14.143 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.969 16.421 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.034 15.378 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.470 15.977 1.166 1.00 0.00 H new ATOM 634 N GLY A 44 11.125 9.981 0.007 1.00 0.00 N ATOM 635 CA GLY A 44 12.514 10.151 0.521 1.00 0.00 C ATOM 636 C GLY A 44 13.512 9.671 -0.534 1.00 0.00 C ATOM 637 O GLY A 44 14.601 10.196 -0.657 1.00 0.00 O ATOM 0 H GLY A 44 10.607 9.198 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.698 11.198 0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.643 9.585 1.443 1.00 0.00 H new ATOM 641 N PHE A 45 13.151 8.675 -1.297 1.00 0.00 N ATOM 642 CA PHE A 45 14.081 8.164 -2.344 1.00 0.00 C ATOM 643 C PHE A 45 13.771 8.844 -3.679 1.00 0.00 C ATOM 644 O PHE A 45 14.313 9.884 -3.997 1.00 0.00 O ATOM 645 CB PHE A 45 13.904 6.650 -2.489 1.00 0.00 C ATOM 646 CG PHE A 45 14.784 5.942 -1.486 1.00 0.00 C ATOM 647 CD1 PHE A 45 16.111 5.634 -1.812 1.00 0.00 C ATOM 648 CD2 PHE A 45 14.273 5.593 -0.229 1.00 0.00 C ATOM 649 CE1 PHE A 45 16.927 4.977 -0.883 1.00 0.00 C ATOM 650 CE2 PHE A 45 15.088 4.936 0.700 1.00 0.00 C ATOM 651 CZ PHE A 45 16.416 4.628 0.374 1.00 0.00 C ATOM 0 H PHE A 45 12.253 8.194 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 45 15.109 8.384 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 45 12.861 6.378 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.163 6.338 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.505 5.904 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.250 5.831 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.950 4.739 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.693 4.666 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.045 4.122 1.091 1.00 0.00 H new ATOM 661 N SER A 46 12.903 8.265 -4.462 1.00 0.00 N ATOM 662 CA SER A 46 12.559 8.879 -5.775 1.00 0.00 C ATOM 663 C SER A 46 11.060 8.722 -6.035 1.00 0.00 C ATOM 664 O SER A 46 10.617 8.673 -7.165 1.00 0.00 O ATOM 665 CB SER A 46 13.344 8.181 -6.886 1.00 0.00 C ATOM 666 OG SER A 46 12.731 6.933 -7.180 1.00 0.00 O ATOM 0 H SER A 46 12.417 7.394 -4.249 1.00 0.00 H new ATOM 0 HA SER A 46 12.816 9.938 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.368 8.807 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.378 8.028 -6.576 1.00 0.00 H new ATOM 0 HG SER A 46 12.680 6.814 -8.151 1.00 0.00 H new ATOM 672 N ASP A 47 10.274 8.642 -4.996 1.00 0.00 N ATOM 673 CA ASP A 47 8.805 8.487 -5.182 1.00 0.00 C ATOM 674 C ASP A 47 8.512 7.141 -5.847 1.00 0.00 C ATOM 675 O ASP A 47 7.491 6.958 -6.479 1.00 0.00 O ATOM 676 CB ASP A 47 8.281 9.619 -6.069 1.00 0.00 C ATOM 677 CG ASP A 47 7.339 10.510 -5.258 1.00 0.00 C ATOM 678 OD1 ASP A 47 6.831 10.042 -4.252 1.00 0.00 O ATOM 679 OD2 ASP A 47 7.140 11.646 -5.657 1.00 0.00 O ATOM 0 H ASP A 47 10.587 8.677 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 47 8.311 8.527 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.113 10.208 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.756 9.207 -6.931 1.00 0.00 H new ATOM 684 N GLU A 48 9.400 6.195 -5.708 1.00 0.00 N ATOM 685 CA GLU A 48 9.172 4.861 -6.331 1.00 0.00 C ATOM 686 C GLU A 48 10.378 3.961 -6.063 1.00 0.00 C ATOM 687 O GLU A 48 11.104 3.593 -6.966 1.00 0.00 O ATOM 688 CB GLU A 48 8.985 5.028 -7.841 1.00 0.00 C ATOM 689 CG GLU A 48 10.188 5.770 -8.427 1.00 0.00 C ATOM 690 CD GLU A 48 10.428 5.299 -9.863 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.445 4.099 -10.076 1.00 0.00 O ATOM 692 OE2 GLU A 48 10.590 6.149 -10.723 1.00 0.00 O ATOM 0 H GLU A 48 10.274 6.288 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 48 8.278 4.408 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.880 4.052 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.068 5.581 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.009 6.845 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.074 5.585 -7.819 1.00 0.00 H new ATOM 699 N ASP A 49 10.599 3.599 -4.829 1.00 0.00 N ATOM 700 CA ASP A 49 11.759 2.722 -4.505 1.00 0.00 C ATOM 701 C ASP A 49 11.269 1.287 -4.292 1.00 0.00 C ATOM 702 O ASP A 49 12.053 0.368 -4.159 1.00 0.00 O ATOM 703 CB ASP A 49 12.439 3.225 -3.230 1.00 0.00 C ATOM 704 CG ASP A 49 11.443 3.192 -2.069 1.00 0.00 C ATOM 705 OD1 ASP A 49 10.734 2.206 -1.951 1.00 0.00 O ATOM 706 OD2 ASP A 49 11.408 4.151 -1.317 1.00 0.00 O ATOM 0 H ASP A 49 10.026 3.873 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 49 12.473 2.744 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.304 2.604 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.806 4.240 -3.378 1.00 0.00 H new ATOM 711 N ASN A 50 9.979 1.089 -4.257 1.00 0.00 N ATOM 712 CA ASN A 50 9.443 -0.286 -4.052 1.00 0.00 C ATOM 713 C ASN A 50 9.784 -0.759 -2.637 1.00 0.00 C ATOM 714 O ASN A 50 10.932 -0.780 -2.239 1.00 0.00 O ATOM 715 CB ASN A 50 10.070 -1.236 -5.074 1.00 0.00 C ATOM 716 CG ASN A 50 9.008 -1.674 -6.084 1.00 0.00 C ATOM 717 OD1 ASN A 50 8.437 -2.739 -5.959 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.716 -0.891 -7.086 1.00 0.00 N ATOM 0 H ASN A 50 9.274 1.819 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 50 8.361 -0.278 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.894 -0.741 -5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.487 -2.107 -4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.008 -1.173 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.195 0.003 -7.191 1.00 0.00 H new ATOM 725 N THR A 51 8.797 -1.139 -1.874 1.00 0.00 N ATOM 726 CA THR A 51 9.067 -1.610 -0.486 1.00 0.00 C ATOM 727 C THR A 51 7.824 -2.311 0.066 1.00 0.00 C ATOM 728 O THR A 51 6.772 -1.717 0.201 1.00 0.00 O ATOM 729 CB THR A 51 9.411 -0.411 0.401 1.00 0.00 C ATOM 730 OG1 THR A 51 10.011 0.605 -0.392 1.00 0.00 O ATOM 731 CG2 THR A 51 10.384 -0.847 1.497 1.00 0.00 C ATOM 0 H THR A 51 7.815 -1.144 -2.151 1.00 0.00 H new ATOM 0 HA THR A 51 9.904 -2.308 -0.496 1.00 0.00 H new ATOM 0 HB THR A 51 8.501 -0.025 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.796 0.240 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.628 0.008 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.923 -1.626 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.296 -1.234 1.041 1.00 0.00 H new ATOM 739 N TRP A 52 7.936 -3.571 0.387 1.00 0.00 N ATOM 740 CA TRP A 52 6.761 -4.310 0.931 1.00 0.00 C ATOM 741 C TRP A 52 6.849 -4.349 2.457 1.00 0.00 C ATOM 742 O TRP A 52 7.770 -4.908 3.020 1.00 0.00 O ATOM 743 CB TRP A 52 6.758 -5.739 0.385 1.00 0.00 C ATOM 744 CG TRP A 52 6.775 -5.703 -1.110 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.887 -5.601 -1.874 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.650 -5.769 -2.035 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.516 -5.600 -3.203 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.156 -5.701 -3.354 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.257 -5.881 -1.864 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.320 -5.741 -4.461 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.404 -5.922 -2.982 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.937 -5.852 -4.280 1.00 0.00 C ATOM 0 H TRP A 52 8.790 -4.121 0.296 1.00 0.00 H new ATOM 0 HA TRP A 52 5.843 -3.805 0.630 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.627 -6.283 0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.874 -6.272 0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.899 -5.532 -1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.174 -5.532 -3.980 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.841 -5.936 -0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.735 -5.687 -5.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.337 -6.008 -2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.280 -5.884 -5.137 1.00 0.00 H new ATOM 763 N GLU A 53 5.900 -3.761 3.131 1.00 0.00 N ATOM 764 CA GLU A 53 5.934 -3.766 4.621 1.00 0.00 C ATOM 765 C GLU A 53 4.769 -4.606 5.154 1.00 0.00 C ATOM 766 O GLU A 53 3.792 -4.819 4.462 1.00 0.00 O ATOM 767 CB GLU A 53 5.808 -2.332 5.139 1.00 0.00 C ATOM 768 CG GLU A 53 7.030 -1.523 4.702 1.00 0.00 C ATOM 769 CD GLU A 53 7.194 -0.310 5.620 1.00 0.00 C ATOM 770 OE1 GLU A 53 7.771 -0.469 6.682 1.00 0.00 O ATOM 771 OE2 GLU A 53 6.739 0.758 5.244 1.00 0.00 O ATOM 0 H GLU A 53 5.103 -3.278 2.716 1.00 0.00 H new ATOM 0 HA GLU A 53 6.877 -4.193 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.898 -1.873 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.728 -2.332 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.924 -2.145 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.913 -1.197 3.668 1.00 0.00 H new ATOM 778 N PRO A 54 4.910 -5.057 6.374 1.00 0.00 N ATOM 779 CA PRO A 54 3.887 -5.878 7.040 1.00 0.00 C ATOM 780 C PRO A 54 2.737 -4.998 7.540 1.00 0.00 C ATOM 781 O PRO A 54 2.949 -3.979 8.167 1.00 0.00 O ATOM 782 CB PRO A 54 4.642 -6.511 8.213 1.00 0.00 C ATOM 783 CG PRO A 54 5.862 -5.599 8.488 1.00 0.00 C ATOM 784 CD PRO A 54 6.105 -4.788 7.200 1.00 0.00 C ATOM 0 HA PRO A 54 3.436 -6.620 6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.003 -6.582 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.961 -7.524 7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.668 -4.937 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.740 -6.193 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.211 -3.724 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.018 -5.105 6.696 1.00 0.00 H new ATOM 792 N GLU A 55 1.522 -5.385 7.266 1.00 0.00 N ATOM 793 CA GLU A 55 0.361 -4.573 7.724 1.00 0.00 C ATOM 794 C GLU A 55 0.257 -4.648 9.250 1.00 0.00 C ATOM 795 O GLU A 55 -0.396 -3.838 9.877 1.00 0.00 O ATOM 796 CB GLU A 55 -0.923 -5.121 7.097 1.00 0.00 C ATOM 797 CG GLU A 55 -1.120 -6.576 7.526 1.00 0.00 C ATOM 798 CD GLU A 55 -1.984 -6.625 8.786 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.223 -5.574 9.359 1.00 0.00 O ATOM 800 OE2 GLU A 55 -2.393 -7.712 9.159 1.00 0.00 O ATOM 0 H GLU A 55 1.283 -6.229 6.745 1.00 0.00 H new ATOM 0 HA GLU A 55 0.500 -3.536 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.777 -4.520 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.866 -5.056 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.595 -7.141 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.154 -7.044 7.716 1.00 0.00 H new ATOM 807 N GLU A 56 0.895 -5.615 9.849 1.00 0.00 N ATOM 808 CA GLU A 56 0.834 -5.742 11.332 1.00 0.00 C ATOM 809 C GLU A 56 1.764 -4.709 11.973 1.00 0.00 C ATOM 810 O GLU A 56 1.809 -4.565 13.179 1.00 0.00 O ATOM 811 CB GLU A 56 1.276 -7.149 11.741 1.00 0.00 C ATOM 812 CG GLU A 56 0.420 -8.185 11.010 1.00 0.00 C ATOM 813 CD GLU A 56 1.310 -9.027 10.093 1.00 0.00 C ATOM 814 OE1 GLU A 56 2.505 -9.067 10.335 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.781 -9.617 9.165 1.00 0.00 O ATOM 0 H GLU A 56 1.456 -6.323 9.375 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.188 -5.568 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.329 -7.296 11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.176 -7.274 12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.088 -8.826 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.354 -7.686 10.426 1.00 0.00 H new ATOM 822 N ASN A 57 2.506 -3.987 11.177 1.00 0.00 N ATOM 823 CA ASN A 57 3.429 -2.964 11.744 1.00 0.00 C ATOM 824 C ASN A 57 3.264 -1.649 10.977 1.00 0.00 C ATOM 825 O ASN A 57 3.932 -0.672 11.253 1.00 0.00 O ATOM 826 CB ASN A 57 4.873 -3.453 11.616 1.00 0.00 C ATOM 827 CG ASN A 57 5.365 -3.955 12.974 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.698 -4.735 13.625 1.00 0.00 O ATOM 829 ND2 ASN A 57 6.513 -3.538 13.434 1.00 0.00 N ATOM 0 H ASN A 57 2.512 -4.062 10.160 1.00 0.00 H new ATOM 0 HA ASN A 57 3.193 -2.803 12.796 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.933 -4.252 10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.512 -2.644 11.262 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.850 -3.867 14.339 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.074 -2.883 12.888 1.00 0.00 H new ATOM 836 N LEU A 58 2.380 -1.616 10.018 1.00 0.00 N ATOM 837 CA LEU A 58 2.172 -0.368 9.236 1.00 0.00 C ATOM 838 C LEU A 58 1.244 0.572 10.009 1.00 0.00 C ATOM 839 O LEU A 58 0.394 0.138 10.762 1.00 0.00 O ATOM 840 CB LEU A 58 1.539 -0.716 7.887 1.00 0.00 C ATOM 841 CG LEU A 58 2.572 -0.536 6.775 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.092 -1.252 5.512 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.746 0.956 6.480 1.00 0.00 C ATOM 0 H LEU A 58 1.792 -2.403 9.743 1.00 0.00 H new ATOM 0 HA LEU A 58 3.131 0.125 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.177 -1.744 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.676 -0.076 7.703 1.00 0.00 H new ATOM 0 HG LEU A 58 3.525 -0.959 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.829 -1.124 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.966 -2.314 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.139 -0.829 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.482 1.087 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.792 1.378 6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.087 1.467 7.380 1.00 0.00 H new ATOM 855 N ASP A 59 1.398 1.854 9.830 1.00 0.00 N ATOM 856 CA ASP A 59 0.525 2.819 10.555 1.00 0.00 C ATOM 857 C ASP A 59 -0.239 3.676 9.544 1.00 0.00 C ATOM 858 O ASP A 59 -0.537 4.828 9.791 1.00 0.00 O ATOM 859 CB ASP A 59 1.386 3.722 11.440 1.00 0.00 C ATOM 860 CG ASP A 59 2.093 2.875 12.499 1.00 0.00 C ATOM 861 OD1 ASP A 59 1.464 1.971 13.022 1.00 0.00 O ATOM 862 OD2 ASP A 59 3.251 3.145 12.768 1.00 0.00 O ATOM 0 H ASP A 59 2.091 2.276 9.212 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.184 2.271 11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.120 4.251 10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.765 4.478 11.919 1.00 0.00 H new ATOM 867 N CYS A 60 -0.560 3.124 8.406 1.00 0.00 N ATOM 868 CA CYS A 60 -1.305 3.909 7.382 1.00 0.00 C ATOM 869 C CYS A 60 -2.513 3.101 6.897 1.00 0.00 C ATOM 870 O CYS A 60 -2.502 2.566 5.805 1.00 0.00 O ATOM 871 CB CYS A 60 -0.382 4.208 6.199 1.00 0.00 C ATOM 872 SG CYS A 60 0.758 5.540 6.644 1.00 0.00 S ATOM 0 H CYS A 60 -0.339 2.164 8.141 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.648 4.846 7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.177 3.313 5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.971 4.495 5.328 1.00 0.00 H new ATOM 0 HG CYS A 60 1.544 5.792 5.640 1.00 0.00 H new ATOM 878 N PRO A 61 -3.521 3.038 7.730 1.00 0.00 N ATOM 879 CA PRO A 61 -4.758 2.303 7.422 1.00 0.00 C ATOM 880 C PRO A 61 -5.642 3.121 6.476 1.00 0.00 C ATOM 881 O PRO A 61 -6.667 2.660 6.014 1.00 0.00 O ATOM 882 CB PRO A 61 -5.427 2.140 8.790 1.00 0.00 C ATOM 883 CG PRO A 61 -4.848 3.256 9.693 1.00 0.00 C ATOM 884 CD PRO A 61 -3.517 3.693 9.052 1.00 0.00 C ATOM 0 HA PRO A 61 -4.580 1.350 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.510 2.230 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.221 1.155 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.539 4.096 9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.688 2.890 10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.457 4.777 8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.663 3.376 9.651 1.00 0.00 H new ATOM 892 N ASP A 62 -5.253 4.332 6.185 1.00 0.00 N ATOM 893 CA ASP A 62 -6.068 5.177 5.269 1.00 0.00 C ATOM 894 C ASP A 62 -5.661 4.889 3.825 1.00 0.00 C ATOM 895 O ASP A 62 -6.478 4.897 2.924 1.00 0.00 O ATOM 896 CB ASP A 62 -5.826 6.654 5.585 1.00 0.00 C ATOM 897 CG ASP A 62 -4.396 7.032 5.195 1.00 0.00 C ATOM 898 OD1 ASP A 62 -3.491 6.304 5.566 1.00 0.00 O ATOM 899 OD2 ASP A 62 -4.231 8.043 4.533 1.00 0.00 O ATOM 0 H ASP A 62 -4.405 4.773 6.543 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.125 4.949 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.538 7.275 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.986 6.841 6.647 1.00 0.00 H new ATOM 904 N LEU A 63 -4.403 4.628 3.596 1.00 0.00 N ATOM 905 CA LEU A 63 -3.947 4.335 2.212 1.00 0.00 C ATOM 906 C LEU A 63 -4.263 2.877 1.885 1.00 0.00 C ATOM 907 O LEU A 63 -4.572 2.534 0.762 1.00 0.00 O ATOM 908 CB LEU A 63 -2.439 4.570 2.108 1.00 0.00 C ATOM 909 CG LEU A 63 -2.057 5.808 2.921 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.610 6.197 2.611 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.985 6.967 2.551 1.00 0.00 C ATOM 0 H LEU A 63 -3.673 4.605 4.308 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.459 4.990 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.898 3.699 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.152 4.704 1.065 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.154 5.588 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.338 7.079 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.053 5.372 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.512 6.417 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.713 7.850 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.887 7.186 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.016 6.692 2.771 1.00 0.00 H new ATOM 923 N ILE A 64 -4.195 2.017 2.864 1.00 0.00 N ATOM 924 CA ILE A 64 -4.498 0.583 2.613 1.00 0.00 C ATOM 925 C ILE A 64 -5.978 0.440 2.258 1.00 0.00 C ATOM 926 O ILE A 64 -6.343 -0.269 1.341 1.00 0.00 O ATOM 927 CB ILE A 64 -4.192 -0.233 3.870 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.678 -0.280 4.090 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.724 -1.657 3.699 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.366 -1.116 5.333 1.00 0.00 C ATOM 0 H ILE A 64 -3.943 2.247 3.825 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.885 0.217 1.789 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.673 0.233 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.187 -0.710 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.286 0.730 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.505 -2.237 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.802 -1.626 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.244 -2.124 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.288 -1.149 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.845 -0.667 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.743 -2.129 5.194 1.00 0.00 H new ATOM 942 N ALA A 65 -6.835 1.117 2.975 1.00 0.00 N ATOM 943 CA ALA A 65 -8.291 1.029 2.677 1.00 0.00 C ATOM 944 C ALA A 65 -8.653 2.058 1.605 1.00 0.00 C ATOM 945 O ALA A 65 -9.783 2.137 1.164 1.00 0.00 O ATOM 946 CB ALA A 65 -9.090 1.317 3.950 1.00 0.00 C ATOM 0 H ALA A 65 -6.588 1.727 3.754 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.529 0.028 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.156 1.253 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.831 0.586 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.853 2.318 4.310 1.00 0.00 H new ATOM 952 N GLU A 66 -7.705 2.849 1.179 1.00 0.00 N ATOM 953 CA GLU A 66 -8.000 3.869 0.135 1.00 0.00 C ATOM 954 C GLU A 66 -7.563 3.339 -1.231 1.00 0.00 C ATOM 955 O GLU A 66 -8.051 3.764 -2.259 1.00 0.00 O ATOM 956 CB GLU A 66 -7.235 5.157 0.451 1.00 0.00 C ATOM 957 CG GLU A 66 -7.302 6.099 -0.753 1.00 0.00 C ATOM 958 CD GLU A 66 -7.340 7.549 -0.265 1.00 0.00 C ATOM 959 OE1 GLU A 66 -6.632 7.853 0.680 1.00 0.00 O ATOM 960 OE2 GLU A 66 -8.077 8.329 -0.846 1.00 0.00 O ATOM 0 H GLU A 66 -6.740 2.832 1.509 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.070 4.076 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.663 5.641 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.196 4.927 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.437 5.944 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.188 5.882 -1.350 1.00 0.00 H new ATOM 967 N PHE A 67 -6.645 2.411 -1.251 1.00 0.00 N ATOM 968 CA PHE A 67 -6.178 1.853 -2.550 1.00 0.00 C ATOM 969 C PHE A 67 -6.815 0.481 -2.777 1.00 0.00 C ATOM 970 O PHE A 67 -6.725 -0.084 -3.849 1.00 0.00 O ATOM 971 CB PHE A 67 -4.654 1.710 -2.525 1.00 0.00 C ATOM 972 CG PHE A 67 -4.202 0.895 -3.713 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.120 -0.501 -3.615 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.865 1.533 -4.915 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.702 -1.258 -4.717 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.447 0.776 -6.017 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.365 -0.619 -5.919 1.00 0.00 C ATOM 0 H PHE A 67 -6.199 2.016 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.468 2.525 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.186 2.694 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.339 1.228 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.379 -0.993 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.928 2.608 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.639 -2.333 -4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.188 1.268 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.042 -1.202 -6.769 1.00 0.00 H new ATOM 987 N LEU A 68 -7.456 -0.062 -1.779 1.00 0.00 N ATOM 988 CA LEU A 68 -8.093 -1.397 -1.946 1.00 0.00 C ATOM 989 C LEU A 68 -9.578 -1.218 -2.279 1.00 0.00 C ATOM 990 O LEU A 68 -10.145 -1.967 -3.049 1.00 0.00 O ATOM 991 CB LEU A 68 -7.928 -2.209 -0.650 1.00 0.00 C ATOM 992 CG LEU A 68 -9.033 -1.857 0.352 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.302 -2.643 0.016 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.571 -2.226 1.764 1.00 0.00 C ATOM 0 H LEU A 68 -7.566 0.361 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.612 -1.935 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.961 -3.275 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.952 -2.006 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.243 -0.789 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.086 -2.391 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.632 -2.388 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.093 -3.711 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.354 -1.977 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.363 -3.295 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.666 -1.669 2.008 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.209 -0.230 -1.706 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.654 -0.005 -1.991 1.00 0.00 C ATOM 1008 C GLN A 69 -11.819 0.495 -3.427 1.00 0.00 C ATOM 1009 O GLN A 69 -12.652 0.015 -4.170 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.209 1.040 -1.020 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.734 1.084 -1.132 1.00 0.00 C ATOM 1012 CD GLN A 69 -14.341 1.364 0.242 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.645 1.753 1.160 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -15.621 1.182 0.427 1.00 0.00 N ATOM 0 H GLN A 69 -9.787 0.430 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.198 -0.941 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.916 0.795 0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.789 2.020 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.035 1.858 -1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.108 0.136 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.206 0.856 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.036 1.366 1.341 1.00 0.00 H new ATOM 1023 N SER A 70 -11.034 1.458 -3.824 1.00 0.00 N ATOM 1024 CA SER A 70 -11.147 1.987 -5.213 1.00 0.00 C ATOM 1025 C SER A 70 -10.860 0.864 -6.211 1.00 0.00 C ATOM 1026 O SER A 70 -11.428 0.814 -7.283 1.00 0.00 O ATOM 1027 CB SER A 70 -10.138 3.117 -5.413 1.00 0.00 C ATOM 1028 OG SER A 70 -10.205 4.008 -4.306 1.00 0.00 O ATOM 0 H SER A 70 -10.319 1.902 -3.247 1.00 0.00 H new ATOM 0 HA SER A 70 -12.155 2.369 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.131 2.709 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.352 3.652 -6.338 1.00 0.00 H new ATOM 0 HG SER A 70 -9.444 3.847 -3.710 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.983 -0.039 -5.866 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.662 -1.159 -6.795 1.00 0.00 C ATOM 1036 C GLN A 71 -10.931 -1.963 -7.077 1.00 0.00 C ATOM 1037 O GLN A 71 -11.104 -2.515 -8.146 1.00 0.00 O ATOM 1038 CB GLN A 71 -8.613 -2.069 -6.153 1.00 0.00 C ATOM 1039 CG GLN A 71 -7.573 -2.469 -7.201 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.242 -3.310 -8.290 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.243 -2.937 -9.446 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.814 -4.437 -7.968 1.00 0.00 N ATOM 0 H GLN A 71 -9.475 -0.049 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.270 -0.757 -7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.129 -1.554 -5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.091 -2.958 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.122 -1.579 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.768 -3.035 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.813 -4.750 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.262 -5.005 -8.687 1.00 0.00 H new