USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 410 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.722! USER MOD Single : A 28 GLN : amide:sc= -5.95! C(o=-5.9!,f=-6.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -127:sc= -7.33! (180deg=-10.5!) USER MOD Single : A 44 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.25) USER MOD Single : A 46 GLN : amide:sc=-0.000844 X(o=-0.00084,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 93:sc= -0.576 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -85:sc= 0.622 USER MOD Single : A 63 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.900 4.352 -8.822 1.00 0.00 N ATOM 289 CA LYS A 23 -4.097 5.529 -9.106 1.00 0.00 C ATOM 290 C LYS A 23 -2.733 5.386 -8.427 1.00 0.00 C ATOM 291 O LYS A 23 -2.323 6.256 -7.660 1.00 0.00 O ATOM 292 CB LYS A 23 -4.851 6.801 -8.709 1.00 0.00 C ATOM 293 CG LYS A 23 -5.714 6.562 -7.469 1.00 0.00 C ATOM 294 CD LYS A 23 -4.848 6.443 -6.213 1.00 0.00 C ATOM 295 CE LYS A 23 -5.711 6.210 -4.971 1.00 0.00 C ATOM 296 NZ LYS A 23 -5.306 7.123 -3.879 1.00 0.00 N ATOM 0 HA LYS A 23 -3.914 5.616 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.140 7.603 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.480 7.128 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.422 7.382 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.300 5.652 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.143 5.620 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.259 7.351 -6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.761 6.370 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.614 5.175 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.902 6.951 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.310 6.952 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.421 8.109 -4.190 1.00 0.00 H new ATOM 310 N PHE A 24 -2.068 4.282 -8.735 1.00 0.00 N ATOM 311 CA PHE A 24 -0.759 4.014 -8.164 1.00 0.00 C ATOM 312 C PHE A 24 0.304 4.929 -8.776 1.00 0.00 C ATOM 313 O PHE A 24 0.570 4.861 -9.975 1.00 0.00 O ATOM 314 CB PHE A 24 -0.416 2.561 -8.496 1.00 0.00 C ATOM 315 CG PHE A 24 -1.603 1.602 -8.391 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.108 1.275 -7.171 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.154 1.075 -9.518 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.210 0.385 -7.074 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.256 0.185 -9.420 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.761 -0.141 -8.200 1.00 0.00 C ATOM 0 H PHE A 24 -2.411 3.563 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.778 4.192 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.014 2.516 -9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.372 2.222 -7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.671 1.692 -6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.753 1.334 -10.487 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.611 0.126 -6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.693 -0.233 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.600 -0.818 -8.126 1.00 0.00 H new ATOM 330 N THR A 25 0.882 5.763 -7.925 1.00 0.00 N ATOM 331 CA THR A 25 1.910 6.690 -8.367 1.00 0.00 C ATOM 332 C THR A 25 3.296 6.058 -8.224 1.00 0.00 C ATOM 333 O THR A 25 3.434 4.982 -7.645 1.00 0.00 O ATOM 334 CB THR A 25 1.749 7.988 -7.574 1.00 0.00 C ATOM 335 OG1 THR A 25 3.027 8.611 -7.664 1.00 0.00 O ATOM 336 CG2 THR A 25 1.561 7.740 -6.076 1.00 0.00 C ATOM 0 H THR A 25 0.658 5.816 -6.931 1.00 0.00 H new ATOM 0 HA THR A 25 1.802 6.924 -9.426 1.00 0.00 H new ATOM 0 HB THR A 25 0.895 8.545 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.011 9.462 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.452 8.694 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.667 7.137 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.430 7.212 -5.683 1.00 0.00 H new ATOM 344 N ALA A 26 4.287 6.755 -8.760 1.00 0.00 N ATOM 345 CA ALA A 26 5.657 6.275 -8.699 1.00 0.00 C ATOM 346 C ALA A 26 5.906 5.626 -7.336 1.00 0.00 C ATOM 347 O ALA A 26 6.598 4.613 -7.244 1.00 0.00 O ATOM 348 CB ALA A 26 6.617 7.434 -8.977 1.00 0.00 C ATOM 0 H ALA A 26 4.169 7.648 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 26 5.832 5.516 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.645 7.074 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.419 7.841 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.472 8.214 -8.229 1.00 0.00 H new ATOM 354 N GLU A 27 5.328 6.236 -6.312 1.00 0.00 N ATOM 355 CA GLU A 27 5.478 5.731 -4.958 1.00 0.00 C ATOM 356 C GLU A 27 4.791 4.371 -4.821 1.00 0.00 C ATOM 357 O GLU A 27 5.456 3.348 -4.661 1.00 0.00 O ATOM 358 CB GLU A 27 4.929 6.728 -3.936 1.00 0.00 C ATOM 359 CG GLU A 27 5.897 6.901 -2.764 1.00 0.00 C ATOM 360 CD GLU A 27 5.280 7.772 -1.668 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.935 8.929 -1.990 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.169 7.261 -0.533 1.00 0.00 O ATOM 0 H GLU A 27 4.755 7.076 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 27 6.541 5.602 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.759 7.691 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.964 6.382 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.156 5.925 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.823 7.355 -3.116 1.00 0.00 H new ATOM 369 N GLN A 28 3.468 4.402 -4.887 1.00 0.00 N ATOM 370 CA GLN A 28 2.684 3.184 -4.772 1.00 0.00 C ATOM 371 C GLN A 28 3.211 2.120 -5.736 1.00 0.00 C ATOM 372 O GLN A 28 3.380 0.962 -5.356 1.00 0.00 O ATOM 373 CB GLN A 28 1.200 3.462 -5.021 1.00 0.00 C ATOM 374 CG GLN A 28 0.670 4.521 -4.052 1.00 0.00 C ATOM 375 CD GLN A 28 0.666 3.996 -2.615 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.352 3.596 -2.076 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.859 4.020 -2.027 1.00 0.00 N ATOM 0 H GLN A 28 2.919 5.252 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 28 2.784 2.806 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.057 3.799 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.629 2.540 -4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.287 5.417 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.341 4.810 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.672 4.368 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.961 3.690 -1.067 1.00 0.00 H new ATOM 386 N LYS A 29 3.457 2.550 -6.965 1.00 0.00 N ATOM 387 CA LYS A 29 3.962 1.648 -7.986 1.00 0.00 C ATOM 388 C LYS A 29 5.244 0.982 -7.483 1.00 0.00 C ATOM 389 O LYS A 29 5.297 -0.238 -7.333 1.00 0.00 O ATOM 390 CB LYS A 29 4.133 2.386 -9.316 1.00 0.00 C ATOM 391 CG LYS A 29 3.272 1.751 -10.410 1.00 0.00 C ATOM 392 CD LYS A 29 3.686 2.254 -11.794 1.00 0.00 C ATOM 393 CE LYS A 29 3.481 3.766 -11.912 1.00 0.00 C ATOM 394 NZ LYS A 29 3.016 4.121 -13.271 1.00 0.00 N ATOM 0 H LYS A 29 3.316 3.511 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 29 3.244 0.852 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.857 3.433 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.181 2.366 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.368 0.666 -10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.222 1.985 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.733 2.010 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.102 1.743 -12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.752 4.099 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.415 4.284 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.882 5.150 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.725 3.821 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.114 3.642 -13.465 1.00 0.00 H new ATOM 408 N GLU A 30 6.247 1.812 -7.237 1.00 0.00 N ATOM 409 CA GLU A 30 7.526 1.319 -6.754 1.00 0.00 C ATOM 410 C GLU A 30 7.335 0.533 -5.455 1.00 0.00 C ATOM 411 O GLU A 30 7.920 -0.534 -5.279 1.00 0.00 O ATOM 412 CB GLU A 30 8.519 2.466 -6.561 1.00 0.00 C ATOM 413 CG GLU A 30 8.970 3.034 -7.908 1.00 0.00 C ATOM 414 CD GLU A 30 10.496 3.121 -7.982 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.141 2.122 -7.598 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.983 4.185 -8.422 1.00 0.00 O ATOM 0 H GLU A 30 6.200 2.823 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 30 7.941 0.647 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.058 3.254 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.386 2.111 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.598 2.403 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.538 4.024 -8.052 1.00 0.00 H new ATOM 423 N ARG A 31 6.515 1.093 -4.578 1.00 0.00 N ATOM 424 CA ARG A 31 6.240 0.458 -3.300 1.00 0.00 C ATOM 425 C ARG A 31 5.807 -0.994 -3.511 1.00 0.00 C ATOM 426 O ARG A 31 6.318 -1.899 -2.853 1.00 0.00 O ATOM 427 CB ARG A 31 5.143 1.205 -2.539 1.00 0.00 C ATOM 428 CG ARG A 31 5.615 2.599 -2.122 1.00 0.00 C ATOM 429 CD ARG A 31 6.006 2.626 -0.643 1.00 0.00 C ATOM 430 NE ARG A 31 7.475 2.504 -0.505 1.00 0.00 N ATOM 431 CZ ARG A 31 8.129 1.336 -0.442 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.449 0.183 -0.503 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.463 1.321 -0.316 1.00 0.00 N ATOM 0 H ARG A 31 6.032 1.979 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 31 7.157 0.485 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.255 1.290 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.856 0.635 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.468 2.896 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.823 3.325 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.665 3.555 -0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.514 1.810 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 31 8.024 3.362 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.433 0.194 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.947 -0.706 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.981 2.199 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.961 0.432 -0.268 1.00 0.00 H new ATOM 447 N MET A 32 4.871 -1.172 -4.430 1.00 0.00 N ATOM 448 CA MET A 32 4.363 -2.499 -4.736 1.00 0.00 C ATOM 449 C MET A 32 5.416 -3.332 -5.470 1.00 0.00 C ATOM 450 O MET A 32 5.590 -4.514 -5.179 1.00 0.00 O ATOM 451 CB MET A 32 3.110 -2.379 -5.605 1.00 0.00 C ATOM 452 CG MET A 32 1.944 -1.790 -4.808 1.00 0.00 C ATOM 453 SD MET A 32 0.412 -2.048 -5.686 1.00 0.00 S ATOM 454 CE MET A 32 -0.064 -0.353 -5.982 1.00 0.00 C ATOM 0 H MET A 32 4.450 -0.419 -4.974 1.00 0.00 H new ATOM 0 HA MET A 32 4.119 -2.999 -3.799 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.321 -1.748 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.834 -3.361 -5.988 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.892 -2.257 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.105 -0.724 -4.646 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.080 -0.192 -5.622 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.618 0.314 -5.454 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.021 -0.144 -7.051 1.00 0.00 H new ATOM 464 N LEU A 33 6.090 -2.683 -6.408 1.00 0.00 N ATOM 465 CA LEU A 33 7.121 -3.350 -7.186 1.00 0.00 C ATOM 466 C LEU A 33 8.184 -3.911 -6.240 1.00 0.00 C ATOM 467 O LEU A 33 8.644 -5.038 -6.416 1.00 0.00 O ATOM 468 CB LEU A 33 7.682 -2.406 -8.251 1.00 0.00 C ATOM 469 CG LEU A 33 7.152 -2.609 -9.672 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.530 -1.320 -10.215 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.248 -3.149 -10.594 1.00 0.00 C ATOM 0 H LEU A 33 5.943 -1.702 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 33 6.701 -4.195 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.469 -1.381 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.766 -2.515 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 33 6.361 -3.359 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.161 -1.492 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.702 -1.017 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.283 -0.532 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.845 -3.284 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.076 -2.441 -10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.604 -4.106 -10.214 1.00 0.00 H new ATOM 483 N ALA A 34 8.544 -3.099 -5.257 1.00 0.00 N ATOM 484 CA ALA A 34 9.545 -3.501 -4.283 1.00 0.00 C ATOM 485 C ALA A 34 8.998 -4.657 -3.443 1.00 0.00 C ATOM 486 O ALA A 34 9.743 -5.557 -3.059 1.00 0.00 O ATOM 487 CB ALA A 34 9.939 -2.294 -3.428 1.00 0.00 C ATOM 0 H ALA A 34 8.161 -2.165 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 34 10.447 -3.855 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.690 -2.595 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.349 -1.513 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.060 -1.913 -2.909 1.00 0.00 H new ATOM 493 N LEU A 35 7.700 -4.593 -3.181 1.00 0.00 N ATOM 494 CA LEU A 35 7.045 -5.623 -2.393 1.00 0.00 C ATOM 495 C LEU A 35 6.939 -6.904 -3.223 1.00 0.00 C ATOM 496 O LEU A 35 7.314 -7.981 -2.761 1.00 0.00 O ATOM 497 CB LEU A 35 5.700 -5.120 -1.866 1.00 0.00 C ATOM 498 CG LEU A 35 4.790 -6.175 -1.233 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.433 -6.773 0.020 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.402 -5.600 -0.946 1.00 0.00 C ATOM 0 H LEU A 35 7.085 -3.844 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 35 7.638 -5.862 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.890 -4.342 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.162 -4.652 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 35 4.661 -6.988 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.766 -7.520 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.380 -7.243 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.612 -5.983 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.775 -6.370 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.492 -4.758 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.949 -5.261 -1.878 1.00 0.00 H new ATOM 512 N ALA A 36 6.426 -6.746 -4.435 1.00 0.00 N ATOM 513 CA ALA A 36 6.266 -7.876 -5.334 1.00 0.00 C ATOM 514 C ALA A 36 7.613 -8.583 -5.502 1.00 0.00 C ATOM 515 O ALA A 36 7.688 -9.808 -5.432 1.00 0.00 O ATOM 516 CB ALA A 36 5.691 -7.392 -6.666 1.00 0.00 C ATOM 0 H ALA A 36 6.116 -5.852 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 36 5.563 -8.599 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.571 -8.240 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.721 -6.924 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.370 -6.666 -7.113 1.00 0.00 H new ATOM 522 N GLU A 37 8.643 -7.779 -5.721 1.00 0.00 N ATOM 523 CA GLU A 37 9.983 -8.312 -5.900 1.00 0.00 C ATOM 524 C GLU A 37 10.525 -8.844 -4.572 1.00 0.00 C ATOM 525 O GLU A 37 11.584 -9.468 -4.535 1.00 0.00 O ATOM 526 CB GLU A 37 10.919 -7.256 -6.491 1.00 0.00 C ATOM 527 CG GLU A 37 10.666 -7.076 -7.989 1.00 0.00 C ATOM 528 CD GLU A 37 11.976 -6.823 -8.740 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.705 -7.814 -8.958 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.217 -5.644 -9.078 1.00 0.00 O ATOM 0 H GLU A 37 8.577 -6.763 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 37 9.932 -9.140 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.772 -6.306 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.955 -7.551 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.179 -7.966 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.984 -6.241 -8.149 1.00 0.00 H new ATOM 537 N ARG A 38 9.774 -8.576 -3.514 1.00 0.00 N ATOM 538 CA ARG A 38 10.165 -9.020 -2.187 1.00 0.00 C ATOM 539 C ARG A 38 9.433 -10.312 -1.821 1.00 0.00 C ATOM 540 O ARG A 38 10.056 -11.282 -1.390 1.00 0.00 O ATOM 541 CB ARG A 38 9.856 -7.952 -1.135 1.00 0.00 C ATOM 542 CG ARG A 38 9.702 -8.577 0.253 1.00 0.00 C ATOM 543 CD ARG A 38 9.923 -7.535 1.351 1.00 0.00 C ATOM 544 NE ARG A 38 10.550 -8.170 2.532 1.00 0.00 N ATOM 545 CZ ARG A 38 11.101 -7.489 3.546 1.00 0.00 C ATOM 546 NH1 ARG A 38 11.106 -6.150 3.530 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.647 -8.149 4.577 1.00 0.00 N ATOM 0 H ARG A 38 8.897 -8.057 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 38 11.240 -9.200 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.656 -7.212 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.940 -7.426 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.707 -9.010 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.417 -9.391 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.559 -6.732 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.972 -7.084 1.633 1.00 0.00 H new ATOM 0 HE ARG A 38 10.563 -9.189 2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.690 -5.648 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.526 -5.632 4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.643 -9.169 4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.067 -7.631 5.349 1.00 0.00 H new ATOM 561 N ILE A 39 8.122 -10.285 -2.007 1.00 0.00 N ATOM 562 CA ILE A 39 7.298 -11.443 -1.703 1.00 0.00 C ATOM 563 C ILE A 39 7.372 -12.435 -2.865 1.00 0.00 C ATOM 564 O ILE A 39 7.299 -13.646 -2.657 1.00 0.00 O ATOM 565 CB ILE A 39 5.873 -11.010 -1.353 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.182 -10.373 -2.561 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.864 -10.085 -0.134 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.757 -9.939 -2.211 1.00 0.00 C ATOM 0 H ILE A 39 7.609 -9.479 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 39 7.675 -11.958 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 39 5.302 -11.899 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.756 -9.510 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.157 -11.084 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.839 -9.792 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.290 -10.607 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.456 -9.195 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.288 -9.490 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.179 -10.808 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.787 -9.210 -1.401 1.00 0.00 H new ATOM 580 N GLY A 40 7.515 -11.886 -4.062 1.00 0.00 N ATOM 581 CA GLY A 40 7.600 -12.708 -5.257 1.00 0.00 C ATOM 582 C GLY A 40 6.321 -12.597 -6.090 1.00 0.00 C ATOM 583 O GLY A 40 5.974 -13.519 -6.827 1.00 0.00 O ATOM 0 H GLY A 40 7.574 -10.882 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.456 -12.398 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.767 -13.748 -4.976 1.00 0.00 H new ATOM 587 N TRP A 41 5.656 -11.461 -5.946 1.00 0.00 N ATOM 588 CA TRP A 41 4.423 -11.217 -6.676 1.00 0.00 C ATOM 589 C TRP A 41 3.385 -12.237 -6.204 1.00 0.00 C ATOM 590 O TRP A 41 2.419 -12.517 -6.913 1.00 0.00 O ATOM 591 CB TRP A 41 4.663 -11.262 -8.186 1.00 0.00 C ATOM 592 CG TRP A 41 5.775 -10.328 -8.668 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.093 -10.437 -8.454 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.611 -9.133 -9.459 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.789 -9.402 -9.047 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.858 -8.584 -9.678 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.447 -8.534 -9.974 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.062 -7.411 -10.414 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.667 -7.362 -10.707 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.917 -6.797 -10.936 1.00 0.00 C ATOM 0 H TRP A 41 5.947 -10.698 -5.334 1.00 0.00 H new ATOM 0 HA TRP A 41 4.044 -10.216 -6.472 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.911 -12.284 -8.474 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.737 -11.002 -8.699 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.553 -11.234 -7.889 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.799 -9.263 -9.026 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.461 -8.946 -9.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.049 -7.002 -10.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.806 -6.861 -11.124 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.004 -5.889 -11.514 1.00 0.00 H new ATOM 611 N ARG A 42 3.619 -12.764 -5.012 1.00 0.00 N ATOM 612 CA ARG A 42 2.716 -13.747 -4.437 1.00 0.00 C ATOM 613 C ARG A 42 2.280 -13.312 -3.037 1.00 0.00 C ATOM 614 O ARG A 42 3.014 -12.610 -2.344 1.00 0.00 O ATOM 615 CB ARG A 42 3.381 -15.123 -4.353 1.00 0.00 C ATOM 616 CG ARG A 42 2.359 -16.240 -4.572 1.00 0.00 C ATOM 617 CD ARG A 42 2.994 -17.615 -4.354 1.00 0.00 C ATOM 618 NE ARG A 42 2.582 -18.539 -5.433 1.00 0.00 N ATOM 619 CZ ARG A 42 3.066 -19.779 -5.586 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.982 -20.251 -4.729 1.00 0.00 N ATOM 621 NH2 ARG A 42 2.634 -20.548 -6.595 1.00 0.00 N ATOM 0 H ARG A 42 4.421 -12.529 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 42 1.844 -13.817 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.170 -15.196 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.854 -15.244 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.521 -16.110 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.957 -16.177 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.080 -17.525 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.692 -18.015 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 42 1.886 -18.212 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.310 -19.666 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.351 -21.195 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.936 -20.189 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.003 -21.492 -6.711 1.00 0.00 H new ATOM 635 N ILE A 43 1.085 -13.747 -2.663 1.00 0.00 N ATOM 636 CA ILE A 43 0.542 -13.412 -1.357 1.00 0.00 C ATOM 637 C ILE A 43 0.293 -14.698 -0.567 1.00 0.00 C ATOM 638 O ILE A 43 -0.083 -15.720 -1.140 1.00 0.00 O ATOM 639 CB ILE A 43 -0.700 -12.530 -1.504 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.372 -11.244 -2.265 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.334 -12.245 -0.142 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.505 -10.869 -3.223 1.00 0.00 C ATOM 0 H ILE A 43 0.478 -14.328 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 43 1.259 -12.821 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.438 -13.074 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.205 -10.431 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.554 -11.375 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.214 -11.616 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.626 -13.185 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.614 -11.731 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.246 -9.951 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.653 -11.673 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.424 -10.715 -2.657 1.00 0.00 H new ATOM 654 N GLN A 44 0.513 -14.606 0.736 1.00 0.00 N ATOM 655 CA GLN A 44 0.317 -15.750 1.610 1.00 0.00 C ATOM 656 C GLN A 44 0.100 -15.285 3.052 1.00 0.00 C ATOM 657 O GLN A 44 0.312 -14.116 3.369 1.00 0.00 O ATOM 658 CB GLN A 44 1.497 -16.719 1.518 1.00 0.00 C ATOM 659 CG GLN A 44 1.249 -17.786 0.450 1.00 0.00 C ATOM 660 CD GLN A 44 1.256 -19.188 1.064 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.671 -19.442 2.104 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.950 -20.081 0.363 1.00 0.00 N ATOM 0 H GLN A 44 0.825 -13.757 1.208 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.575 -16.284 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.407 -16.168 1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.656 -17.197 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.291 -17.603 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.016 -17.719 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.416 -19.801 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.016 -21.045 0.689 1.00 0.00 H new ATOM 671 N ARG A 45 -0.320 -16.225 3.886 1.00 0.00 N ATOM 672 CA ARG A 45 -0.568 -15.927 5.286 1.00 0.00 C ATOM 673 C ARG A 45 0.727 -15.488 5.973 1.00 0.00 C ATOM 674 O ARG A 45 0.696 -14.941 7.074 1.00 0.00 O ATOM 675 CB ARG A 45 -1.137 -17.145 6.017 1.00 0.00 C ATOM 676 CG ARG A 45 -0.225 -18.361 5.847 1.00 0.00 C ATOM 677 CD ARG A 45 0.460 -18.721 7.167 1.00 0.00 C ATOM 678 NE ARG A 45 0.251 -20.155 7.471 1.00 0.00 N ATOM 679 CZ ARG A 45 -0.843 -20.644 8.069 1.00 0.00 C ATOM 680 NH1 ARG A 45 -1.835 -19.819 8.430 1.00 0.00 N ATOM 681 NH2 ARG A 45 -0.946 -21.959 8.305 1.00 0.00 N ATOM 0 H ARG A 45 -0.495 -17.194 3.619 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.298 -15.119 5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.251 -16.917 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.130 -17.374 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.808 -19.211 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.528 -18.152 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.527 -18.506 7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.059 -18.107 7.974 1.00 0.00 H new ATOM 0 HE ARG A 45 0.986 -20.811 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.757 -18.818 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.668 -20.192 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.191 -22.587 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.779 -22.332 8.760 1.00 0.00 H new ATOM 695 N GLN A 46 1.836 -15.744 5.293 1.00 0.00 N ATOM 696 CA GLN A 46 3.139 -15.382 5.824 1.00 0.00 C ATOM 697 C GLN A 46 3.442 -13.912 5.530 1.00 0.00 C ATOM 698 O GLN A 46 3.848 -13.167 6.421 1.00 0.00 O ATOM 699 CB GLN A 46 4.232 -16.291 5.260 1.00 0.00 C ATOM 700 CG GLN A 46 4.100 -17.713 5.808 1.00 0.00 C ATOM 701 CD GLN A 46 5.418 -18.188 6.424 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.786 -17.818 7.527 1.00 0.00 O ATOM 703 NE2 GLN A 46 6.105 -19.025 5.653 1.00 0.00 N ATOM 0 H GLN A 46 1.858 -16.198 4.380 1.00 0.00 H new ATOM 0 HA GLN A 46 3.120 -15.519 6.905 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.169 -16.310 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.212 -15.889 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.311 -17.745 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.805 -18.390 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.739 -19.294 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.998 -19.398 5.975 1.00 0.00 H new ATOM 712 N ASP A 47 3.235 -13.537 4.276 1.00 0.00 N ATOM 713 CA ASP A 47 3.481 -12.169 3.853 1.00 0.00 C ATOM 714 C ASP A 47 2.348 -11.272 4.356 1.00 0.00 C ATOM 715 O ASP A 47 2.475 -10.049 4.359 1.00 0.00 O ATOM 716 CB ASP A 47 3.525 -12.064 2.327 1.00 0.00 C ATOM 717 CG ASP A 47 4.494 -13.028 1.640 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.688 -12.668 1.556 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.019 -14.102 1.213 1.00 0.00 O ATOM 0 H ASP A 47 2.899 -14.157 3.539 1.00 0.00 H new ATOM 0 HA ASP A 47 4.441 -11.857 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.523 -12.241 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.798 -11.044 2.056 1.00 0.00 H new ATOM 724 N ASP A 48 1.267 -11.916 4.770 1.00 0.00 N ATOM 725 CA ASP A 48 0.112 -11.192 5.275 1.00 0.00 C ATOM 726 C ASP A 48 0.587 -10.036 6.158 1.00 0.00 C ATOM 727 O ASP A 48 0.093 -8.916 6.039 1.00 0.00 O ATOM 728 CB ASP A 48 -0.779 -12.100 6.124 1.00 0.00 C ATOM 729 CG ASP A 48 -2.224 -12.226 5.636 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.959 -11.225 5.774 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.560 -13.322 5.137 1.00 0.00 O ATOM 0 H ASP A 48 1.166 -12.931 4.766 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.457 -10.826 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.334 -13.094 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.788 -11.722 7.146 1.00 0.00 H new ATOM 736 N GLU A 49 1.540 -10.348 7.024 1.00 0.00 N ATOM 737 CA GLU A 49 2.087 -9.349 7.926 1.00 0.00 C ATOM 738 C GLU A 49 2.618 -8.152 7.135 1.00 0.00 C ATOM 739 O GLU A 49 2.348 -7.003 7.484 1.00 0.00 O ATOM 740 CB GLU A 49 3.182 -9.950 8.811 1.00 0.00 C ATOM 741 CG GLU A 49 2.662 -10.208 10.227 1.00 0.00 C ATOM 742 CD GLU A 49 3.804 -10.170 11.245 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.531 -9.154 11.244 1.00 0.00 O ATOM 744 OE2 GLU A 49 3.923 -11.159 12.000 1.00 0.00 O ATOM 0 H GLU A 49 1.947 -11.278 7.120 1.00 0.00 H new ATOM 0 HA GLU A 49 1.287 -9.002 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.536 -10.884 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.035 -9.273 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.914 -9.459 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.168 -11.179 10.266 1.00 0.00 H new ATOM 751 N VAL A 50 3.362 -8.461 6.083 1.00 0.00 N ATOM 752 CA VAL A 50 3.932 -7.425 5.239 1.00 0.00 C ATOM 753 C VAL A 50 2.825 -6.799 4.388 1.00 0.00 C ATOM 754 O VAL A 50 2.834 -5.595 4.140 1.00 0.00 O ATOM 755 CB VAL A 50 5.075 -8.002 4.402 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.927 -6.886 3.793 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.936 -8.956 5.233 1.00 0.00 C ATOM 0 H VAL A 50 3.583 -9.414 5.796 1.00 0.00 H new ATOM 0 HA VAL A 50 4.362 -6.630 5.848 1.00 0.00 H new ATOM 0 HB VAL A 50 4.635 -8.573 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.732 -7.324 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.305 -6.262 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.352 -6.276 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.741 -9.352 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.361 -8.418 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.320 -9.778 5.597 1.00 0.00 H new ATOM 767 N ILE A 51 1.898 -7.646 3.965 1.00 0.00 N ATOM 768 CA ILE A 51 0.786 -7.191 3.147 1.00 0.00 C ATOM 769 C ILE A 51 -0.069 -6.213 3.955 1.00 0.00 C ATOM 770 O ILE A 51 -0.263 -5.069 3.547 1.00 0.00 O ATOM 771 CB ILE A 51 0.002 -8.384 2.598 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.926 -9.352 1.854 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.164 -7.918 1.723 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.017 -8.991 0.370 1.00 0.00 C ATOM 0 H ILE A 51 1.894 -8.645 4.173 1.00 0.00 H new ATOM 0 HA ILE A 51 1.151 -6.650 2.274 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.425 -8.929 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.920 -9.327 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.554 -10.371 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.705 -8.786 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.838 -7.299 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.780 -7.337 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.679 -9.694 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.025 -9.041 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.412 -7.981 0.265 1.00 0.00 H new ATOM 786 N GLN A 52 -0.556 -6.699 5.087 1.00 0.00 N ATOM 787 CA GLN A 52 -1.386 -5.881 5.956 1.00 0.00 C ATOM 788 C GLN A 52 -0.605 -4.657 6.438 1.00 0.00 C ATOM 789 O GLN A 52 -1.193 -3.614 6.720 1.00 0.00 O ATOM 790 CB GLN A 52 -1.911 -6.697 7.139 1.00 0.00 C ATOM 791 CG GLN A 52 -2.746 -7.886 6.659 1.00 0.00 C ATOM 792 CD GLN A 52 -3.902 -8.168 7.620 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.767 -8.875 8.605 1.00 0.00 O ATOM 794 NE2 GLN A 52 -5.044 -7.577 7.280 1.00 0.00 N ATOM 0 H GLN A 52 -0.392 -7.648 5.423 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.247 -5.536 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.074 -7.055 7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.516 -6.060 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.138 -7.681 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.113 -8.770 6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.089 -6.998 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.875 -7.703 7.858 1.00 0.00 H new ATOM 803 N ARG A 53 0.706 -4.824 6.516 1.00 0.00 N ATOM 804 CA ARG A 53 1.574 -3.746 6.958 1.00 0.00 C ATOM 805 C ARG A 53 1.801 -2.747 5.821 1.00 0.00 C ATOM 806 O ARG A 53 1.782 -1.537 6.040 1.00 0.00 O ATOM 807 CB ARG A 53 2.925 -4.284 7.432 1.00 0.00 C ATOM 808 CG ARG A 53 3.929 -3.147 7.633 1.00 0.00 C ATOM 809 CD ARG A 53 3.498 -2.231 8.780 1.00 0.00 C ATOM 810 NE ARG A 53 4.606 -1.322 9.146 1.00 0.00 N ATOM 811 CZ ARG A 53 5.693 -1.700 9.832 1.00 0.00 C ATOM 812 NH1 ARG A 53 5.824 -2.973 10.232 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.650 -0.807 10.119 1.00 0.00 N ATOM 0 H ARG A 53 1.189 -5.691 6.280 1.00 0.00 H new ATOM 0 HA ARG A 53 1.082 -3.247 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.795 -4.829 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.315 -4.993 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.915 -3.561 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.017 -2.568 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.624 -1.651 8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.207 -2.829 9.644 1.00 0.00 H new ATOM 0 HE ARG A 53 4.538 -0.346 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.096 -3.654 10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.652 -3.261 10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.551 0.162 9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.477 -1.096 10.641 1.00 0.00 H new ATOM 827 N PHE A 54 2.010 -3.291 4.632 1.00 0.00 N ATOM 828 CA PHE A 54 2.241 -2.463 3.460 1.00 0.00 C ATOM 829 C PHE A 54 1.083 -1.486 3.243 1.00 0.00 C ATOM 830 O PHE A 54 1.292 -0.364 2.785 1.00 0.00 O ATOM 831 CB PHE A 54 2.330 -3.405 2.258 1.00 0.00 C ATOM 832 CG PHE A 54 2.373 -2.687 0.907 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.564 -2.281 0.390 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.220 -2.455 0.224 1.00 0.00 C ATOM 835 CE1 PHE A 54 3.604 -1.615 -0.863 1.00 0.00 C ATOM 836 CE2 PHE A 54 1.260 -1.789 -1.030 1.00 0.00 C ATOM 837 CZ PHE A 54 2.451 -1.383 -1.547 1.00 0.00 C ATOM 0 H PHE A 54 2.024 -4.295 4.454 1.00 0.00 H new ATOM 0 HA PHE A 54 3.153 -1.881 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.223 -4.022 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.473 -4.079 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.479 -2.465 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.275 -2.777 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.550 -1.293 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.345 -1.605 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.481 -0.877 -2.500 1.00 0.00 H new ATOM 847 N CYS A 55 -0.111 -1.949 3.581 1.00 0.00 N ATOM 848 CA CYS A 55 -1.302 -1.130 3.429 1.00 0.00 C ATOM 849 C CYS A 55 -1.250 -0.009 4.469 1.00 0.00 C ATOM 850 O CYS A 55 -2.037 0.934 4.409 1.00 0.00 O ATOM 851 CB CYS A 55 -2.580 -1.963 3.550 1.00 0.00 C ATOM 852 SG CYS A 55 -4.047 -0.896 3.307 1.00 0.00 S ATOM 0 H CYS A 55 -0.280 -2.881 3.960 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.323 -0.696 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.575 -2.762 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.623 -2.437 4.530 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.392 -0.911 2.054 1.00 0.00 H new ATOM 858 N GLN A 56 -0.316 -0.150 5.398 1.00 0.00 N ATOM 859 CA GLN A 56 -0.152 0.839 6.450 1.00 0.00 C ATOM 860 C GLN A 56 0.908 1.868 6.050 1.00 0.00 C ATOM 861 O GLN A 56 0.950 2.967 6.600 1.00 0.00 O ATOM 862 CB GLN A 56 0.206 0.171 7.779 1.00 0.00 C ATOM 863 CG GLN A 56 -0.793 -0.935 8.124 1.00 0.00 C ATOM 864 CD GLN A 56 -1.638 -0.551 9.340 1.00 0.00 C ATOM 865 OE1 GLN A 56 -2.755 -0.075 9.226 1.00 0.00 O ATOM 866 NE2 GLN A 56 -1.044 -0.784 10.507 1.00 0.00 N ATOM 0 H GLN A 56 0.335 -0.934 5.444 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.101 1.358 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.211 -0.247 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.217 0.917 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.443 -1.122 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.258 -1.863 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.106 -1.185 10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.526 -0.562 11.378 1.00 0.00 H new ATOM 875 N GLU A 57 1.738 1.474 5.095 1.00 0.00 N ATOM 876 CA GLU A 57 2.795 2.348 4.615 1.00 0.00 C ATOM 877 C GLU A 57 2.370 3.030 3.313 1.00 0.00 C ATOM 878 O GLU A 57 2.788 4.152 3.030 1.00 0.00 O ATOM 879 CB GLU A 57 4.103 1.576 4.429 1.00 0.00 C ATOM 880 CG GLU A 57 4.105 0.815 3.101 1.00 0.00 C ATOM 881 CD GLU A 57 5.502 0.282 2.777 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.395 1.128 2.555 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.646 -0.960 2.760 1.00 0.00 O ATOM 0 H GLU A 57 1.700 0.561 4.641 1.00 0.00 H new ATOM 0 HA GLU A 57 2.971 3.119 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.945 2.268 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.237 0.876 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.398 -0.013 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.768 1.473 2.300 1.00 0.00 H new ATOM 890 N THR A 58 1.544 2.324 2.555 1.00 0.00 N ATOM 891 CA THR A 58 1.057 2.847 1.290 1.00 0.00 C ATOM 892 C THR A 58 -0.410 3.263 1.414 1.00 0.00 C ATOM 893 O THR A 58 -0.752 4.421 1.179 1.00 0.00 O ATOM 894 CB THR A 58 1.300 1.785 0.215 1.00 0.00 C ATOM 895 OG1 THR A 58 0.642 0.626 0.718 1.00 0.00 O ATOM 896 CG2 THR A 58 2.769 1.370 0.123 1.00 0.00 C ATOM 0 H THR A 58 1.200 1.394 2.793 1.00 0.00 H new ATOM 0 HA THR A 58 1.594 3.751 1.002 1.00 0.00 H new ATOM 0 HB THR A 58 0.970 2.165 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.242 0.147 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.886 0.615 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.378 2.240 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.091 0.959 1.079 1.00 0.00 H new ATOM 904 N GLY A 59 -1.237 2.295 1.782 1.00 0.00 N ATOM 905 CA GLY A 59 -2.659 2.547 1.939 1.00 0.00 C ATOM 906 C GLY A 59 -3.472 1.762 0.907 1.00 0.00 C ATOM 907 O GLY A 59 -4.699 1.848 0.882 1.00 0.00 O ATOM 0 H GLY A 59 -0.949 1.336 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.973 2.266 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.857 3.613 1.829 1.00 0.00 H new ATOM 911 N VAL A 60 -2.756 1.014 0.082 1.00 0.00 N ATOM 912 CA VAL A 60 -3.395 0.214 -0.950 1.00 0.00 C ATOM 913 C VAL A 60 -4.068 -0.999 -0.304 1.00 0.00 C ATOM 914 O VAL A 60 -3.540 -1.573 0.647 1.00 0.00 O ATOM 915 CB VAL A 60 -2.374 -0.169 -2.023 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.989 -1.124 -3.048 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.803 1.075 -2.705 1.00 0.00 C ATOM 0 H VAL A 60 -1.739 0.944 0.106 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.173 0.789 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.551 -0.689 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.243 -1.381 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.324 -2.031 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.839 -0.642 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.080 0.775 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.611 1.635 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.311 1.703 -1.963 1.00 0.00 H new ATOM 927 N PRO A 61 -5.254 -1.363 -0.862 1.00 0.00 N ATOM 928 CA PRO A 61 -6.004 -2.497 -0.351 1.00 0.00 C ATOM 929 C PRO A 61 -5.360 -3.818 -0.776 1.00 0.00 C ATOM 930 O PRO A 61 -4.881 -3.945 -1.902 1.00 0.00 O ATOM 931 CB PRO A 61 -7.410 -2.318 -0.901 1.00 0.00 C ATOM 932 CG PRO A 61 -7.281 -1.355 -2.069 1.00 0.00 C ATOM 933 CD PRO A 61 -5.909 -0.706 -1.990 1.00 0.00 C ATOM 0 HA PRO A 61 -6.018 -2.535 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.827 -3.272 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.080 -1.920 -0.139 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.399 -1.884 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.064 -0.598 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.348 -0.851 -2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.988 0.369 -1.831 1.00 0.00 H new ATOM 941 N ARG A 62 -5.368 -4.768 0.147 1.00 0.00 N ATOM 942 CA ARG A 62 -4.790 -6.074 -0.118 1.00 0.00 C ATOM 943 C ARG A 62 -5.300 -6.619 -1.454 1.00 0.00 C ATOM 944 O ARG A 62 -4.509 -6.936 -2.342 1.00 0.00 O ATOM 945 CB ARG A 62 -5.135 -7.066 0.994 1.00 0.00 C ATOM 946 CG ARG A 62 -4.852 -8.504 0.555 1.00 0.00 C ATOM 947 CD ARG A 62 -4.344 -9.345 1.727 1.00 0.00 C ATOM 948 NE ARG A 62 -5.094 -10.619 1.799 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.319 -10.740 2.328 1.00 0.00 C ATOM 950 NH1 ARG A 62 -6.940 -9.666 2.834 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.924 -11.936 2.350 1.00 0.00 N ATOM 0 H ARG A 62 -5.766 -4.659 1.080 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.707 -5.955 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.554 -6.834 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.186 -6.965 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.760 -8.950 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.112 -8.505 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.280 -9.547 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.460 -8.792 2.659 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.651 -11.457 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.480 -8.756 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.873 -9.759 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.452 -12.754 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.857 -12.028 2.753 1.00 0.00 H new ATOM 965 N GLN A 63 -6.618 -6.712 -1.554 1.00 0.00 N ATOM 966 CA GLN A 63 -7.242 -7.213 -2.766 1.00 0.00 C ATOM 967 C GLN A 63 -6.613 -6.559 -3.998 1.00 0.00 C ATOM 968 O GLN A 63 -6.501 -7.187 -5.050 1.00 0.00 O ATOM 969 CB GLN A 63 -8.755 -6.986 -2.738 1.00 0.00 C ATOM 970 CG GLN A 63 -9.496 -8.134 -3.426 1.00 0.00 C ATOM 971 CD GLN A 63 -11.011 -7.943 -3.334 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.563 -7.649 -2.286 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.650 -8.126 -4.485 1.00 0.00 N ATOM 0 H GLN A 63 -7.270 -6.449 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.069 -8.288 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.094 -6.897 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.994 -6.045 -3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.196 -8.190 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.217 -9.081 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.127 -8.371 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.664 -8.022 -4.528 1.00 0.00 H new ATOM 982 N VAL A 64 -6.218 -5.306 -3.826 1.00 0.00 N ATOM 983 CA VAL A 64 -5.602 -4.560 -4.910 1.00 0.00 C ATOM 984 C VAL A 64 -4.140 -4.989 -5.053 1.00 0.00 C ATOM 985 O VAL A 64 -3.686 -5.304 -6.152 1.00 0.00 O ATOM 986 CB VAL A 64 -5.763 -3.058 -4.669 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.624 -2.273 -5.321 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.124 -2.566 -5.168 1.00 0.00 C ATOM 0 H VAL A 64 -6.313 -4.789 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.099 -4.779 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.717 -2.884 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.763 -1.208 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.672 -2.594 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.624 -2.456 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.213 -1.495 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.211 -2.760 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.918 -3.092 -4.638 1.00 0.00 H new ATOM 998 N LEU A 65 -3.444 -4.987 -3.926 1.00 0.00 N ATOM 999 CA LEU A 65 -2.042 -5.372 -3.911 1.00 0.00 C ATOM 1000 C LEU A 65 -1.888 -6.745 -4.569 1.00 0.00 C ATOM 1001 O LEU A 65 -0.803 -7.099 -5.026 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.483 -5.305 -2.489 1.00 0.00 C ATOM 1003 CG LEU A 65 0.040 -5.375 -2.363 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.568 -6.732 -2.833 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.705 -4.213 -3.104 1.00 0.00 C ATOM 0 H LEU A 65 -3.824 -4.725 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.448 -4.670 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.823 -4.377 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.913 -6.123 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 65 0.300 -5.276 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.653 -6.755 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.131 -7.523 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.297 -6.886 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.787 -4.286 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.439 -4.255 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.362 -3.268 -2.681 1.00 0.00 H new ATOM 1017 N LYS A 66 -2.990 -7.480 -4.596 1.00 0.00 N ATOM 1018 CA LYS A 66 -2.991 -8.806 -5.190 1.00 0.00 C ATOM 1019 C LYS A 66 -3.135 -8.679 -6.708 1.00 0.00 C ATOM 1020 O LYS A 66 -2.186 -8.933 -7.448 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.064 -9.683 -4.541 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.351 -10.920 -5.395 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.926 -12.053 -4.542 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.401 -12.291 -4.871 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.262 -11.383 -4.081 1.00 0.00 N ATOM 0 H LYS A 66 -3.889 -7.182 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.043 -9.310 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.736 -9.990 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.980 -9.107 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.054 -10.664 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.433 -11.254 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.359 -12.968 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.820 -11.807 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.573 -12.130 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.664 -13.327 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.260 -11.558 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.110 -11.556 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.022 -10.396 -4.304 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.330 -8.288 -7.126 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.610 -8.125 -8.543 1.00 0.00 C ATOM 1041 C VAL A 67 -3.524 -7.254 -9.176 1.00 0.00 C ATOM 1042 O VAL A 67 -3.000 -7.584 -10.239 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.019 -7.559 -8.736 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.079 -8.554 -8.261 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.171 -6.213 -8.023 1.00 0.00 C ATOM 0 H VAL A 67 -5.115 -8.079 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.589 -9.090 -9.050 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.170 -7.392 -9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.071 -8.127 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.992 -9.478 -8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.930 -8.767 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.181 -5.832 -8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.990 -6.344 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.450 -5.503 -8.429 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.218 -6.158 -8.497 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.203 -5.237 -8.981 1.00 0.00 C ATOM 1057 C TRP A 68 -1.071 -6.061 -9.596 1.00 0.00 C ATOM 1058 O TRP A 68 -0.794 -5.949 -10.789 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.728 -4.309 -7.861 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.657 -3.306 -8.297 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.832 -2.052 -8.736 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.769 -3.525 -8.318 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.373 -1.449 -9.037 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.377 -2.374 -8.775 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.521 -4.659 -7.962 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.764 -2.244 -8.918 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.905 -4.513 -8.111 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.532 -3.361 -8.570 1.00 0.00 C ATOM 0 H TRP A 68 -3.655 -5.887 -7.616 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.612 -4.581 -9.749 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.585 -3.762 -7.468 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.334 -4.914 -7.044 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.794 -1.573 -8.841 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.503 -0.500 -9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.067 -5.570 -7.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.216 -1.331 -9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.530 -5.355 -7.851 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.608 -3.328 -8.658 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.446 -6.871 -8.753 1.00 0.00 N ATOM 1080 CA LEU A 69 0.650 -7.714 -9.199 1.00 0.00 C ATOM 1081 C LEU A 69 0.281 -8.359 -10.536 1.00 0.00 C ATOM 1082 O LEU A 69 1.071 -8.340 -11.478 1.00 0.00 O ATOM 1083 CB LEU A 69 1.027 -8.723 -8.112 1.00 0.00 C ATOM 1084 CG LEU A 69 1.359 -8.136 -6.738 1.00 0.00 C ATOM 1085 CD1 LEU A 69 1.015 -9.125 -5.622 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.819 -7.684 -6.673 1.00 0.00 C ATOM 0 H LEU A 69 -0.678 -6.961 -7.764 1.00 0.00 H new ATOM 0 HA LEU A 69 1.545 -7.116 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.202 -9.426 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.888 -9.295 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 69 0.741 -7.251 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.260 -8.683 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.050 -9.355 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.589 -10.042 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.028 -7.271 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.472 -8.537 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.998 -6.921 -7.431 1.00 0.00 H new