USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 612 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 55:sc= 0.138 USER MOD Single : A 66 THR OG1 : rot -43:sc= 0.603! USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -1.68! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -111:sc= -0.233 (180deg=-0.378) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 84 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.28) USER MOD Single : A 86 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -6.29! C(o=-8.9!,f=-6.3!) USER MOD Single : A 94 SER OG : rot 16:sc= 1.05 USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.86 F(o=-3.2!,f=-0.86) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.079 F(o=-2.1!,f=-0.079) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -170:sc= -0.184 USER MOD Single : A 113 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.9!) USER MOD Single : A 117 ASN : amide:sc=-0.00294 K(o=-0.0029,f=-1.5) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.111 6.351 -5.529 1.00 0.00 N ATOM 302 CA VAL A 32 -1.714 5.983 -5.376 1.00 0.00 C ATOM 303 C VAL A 32 -1.623 4.584 -4.764 1.00 0.00 C ATOM 304 O VAL A 32 -1.152 3.649 -5.410 1.00 0.00 O ATOM 305 CB VAL A 32 -0.981 7.044 -4.553 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.477 6.644 -4.316 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.070 8.417 -5.224 1.00 0.00 C ATOM 0 HA VAL A 32 -1.221 5.945 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.472 7.113 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.975 7.415 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.512 5.698 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.984 6.533 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.541 9.153 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.617 8.368 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.116 8.709 -5.318 1.00 0.00 H new ATOM 317 N GLU A 33 -2.082 4.484 -3.525 1.00 0.00 N ATOM 318 CA GLU A 33 -2.058 3.214 -2.818 1.00 0.00 C ATOM 319 C GLU A 33 -2.626 2.103 -3.704 1.00 0.00 C ATOM 320 O GLU A 33 -2.044 1.024 -3.802 1.00 0.00 O ATOM 321 CB GLU A 33 -2.824 3.308 -1.497 1.00 0.00 C ATOM 322 CG GLU A 33 -3.275 1.924 -1.025 1.00 0.00 C ATOM 323 CD GLU A 33 -4.733 1.662 -1.408 1.00 0.00 C ATOM 324 OE1 GLU A 33 -5.233 2.406 -2.279 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.314 0.724 -0.822 1.00 0.00 O ATOM 0 H GLU A 33 -2.473 5.261 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.022 2.970 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.191 3.767 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.693 3.955 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.636 1.159 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.160 1.849 0.056 1.00 0.00 H new ATOM 332 N ALA A 34 -3.757 2.406 -4.325 1.00 0.00 N ATOM 333 CA ALA A 34 -4.410 1.446 -5.199 1.00 0.00 C ATOM 334 C ALA A 34 -3.380 0.861 -6.168 1.00 0.00 C ATOM 335 O ALA A 34 -3.228 -0.356 -6.257 1.00 0.00 O ATOM 336 CB ALA A 34 -5.573 2.126 -5.925 1.00 0.00 C ATOM 0 H ALA A 34 -4.237 3.302 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.824 0.620 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.063 1.406 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.291 2.498 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.195 2.958 -6.518 1.00 0.00 H new ATOM 342 N ALA A 35 -2.700 1.756 -6.869 1.00 0.00 N ATOM 343 CA ALA A 35 -1.689 1.344 -7.828 1.00 0.00 C ATOM 344 C ALA A 35 -0.596 0.557 -7.103 1.00 0.00 C ATOM 345 O ALA A 35 -0.177 -0.502 -7.568 1.00 0.00 O ATOM 346 CB ALA A 35 -1.139 2.575 -8.551 1.00 0.00 C ATOM 0 H ALA A 35 -2.829 2.765 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.121 0.688 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.381 2.266 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.950 3.082 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.694 3.255 -7.825 1.00 0.00 H new ATOM 352 N ILE A 36 -0.165 1.104 -5.976 1.00 0.00 N ATOM 353 CA ILE A 36 0.871 0.466 -5.182 1.00 0.00 C ATOM 354 C ILE A 36 0.477 -0.987 -4.910 1.00 0.00 C ATOM 355 O ILE A 36 1.325 -1.878 -4.929 1.00 0.00 O ATOM 356 CB ILE A 36 1.149 1.275 -3.914 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.688 2.665 -4.258 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.086 0.514 -2.973 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.912 3.495 -2.992 1.00 0.00 C ATOM 0 H ILE A 36 -0.515 1.983 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 36 1.812 0.444 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 36 0.206 1.417 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.626 2.570 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.986 3.179 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.268 1.111 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.627 -0.433 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.032 0.321 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.295 4.478 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.968 3.608 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.633 2.990 -2.349 1.00 0.00 H new ATOM 371 N ARG A 37 -0.810 -1.182 -4.664 1.00 0.00 N ATOM 372 CA ARG A 37 -1.327 -2.512 -4.388 1.00 0.00 C ATOM 373 C ARG A 37 -1.582 -3.263 -5.696 1.00 0.00 C ATOM 374 O ARG A 37 -0.930 -4.269 -5.975 1.00 0.00 O ATOM 375 CB ARG A 37 -2.628 -2.442 -3.587 1.00 0.00 C ATOM 376 CG ARG A 37 -2.993 -3.812 -3.013 1.00 0.00 C ATOM 377 CD ARG A 37 -4.494 -4.079 -3.141 1.00 0.00 C ATOM 378 NE ARG A 37 -4.863 -5.282 -2.363 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.122 -5.612 -2.041 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.139 -4.830 -2.429 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.363 -6.723 -1.332 1.00 0.00 N ATOM 0 H ARG A 37 -1.511 -0.441 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.579 -3.043 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.522 -1.721 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.435 -2.085 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.436 -4.589 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.700 -3.861 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.057 -3.217 -2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.759 -4.219 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.113 -5.899 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.955 -3.984 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.097 -5.080 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.589 -7.318 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.321 -6.974 -1.087 1.00 0.00 H new ATOM 395 N ALA A 38 -2.530 -2.747 -6.464 1.00 0.00 N ATOM 396 CA ALA A 38 -2.879 -3.357 -7.735 1.00 0.00 C ATOM 397 C ALA A 38 -1.602 -3.813 -8.444 1.00 0.00 C ATOM 398 O ALA A 38 -1.604 -4.825 -9.144 1.00 0.00 O ATOM 399 CB ALA A 38 -3.688 -2.365 -8.573 1.00 0.00 C ATOM 0 H ALA A 38 -3.068 -1.912 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.503 -4.237 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.950 -2.823 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.599 -2.095 -8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.093 -1.470 -8.752 1.00 0.00 H new ATOM 405 N LYS A 39 -0.543 -3.045 -8.239 1.00 0.00 N ATOM 406 CA LYS A 39 0.738 -3.358 -8.849 1.00 0.00 C ATOM 407 C LYS A 39 1.306 -4.628 -8.212 1.00 0.00 C ATOM 408 O LYS A 39 1.347 -5.680 -8.848 1.00 0.00 O ATOM 409 CB LYS A 39 1.680 -2.154 -8.766 1.00 0.00 C ATOM 410 CG LYS A 39 1.260 -1.061 -9.751 1.00 0.00 C ATOM 411 CD LYS A 39 2.190 -1.031 -10.965 1.00 0.00 C ATOM 412 CE LYS A 39 1.912 0.195 -11.838 1.00 0.00 C ATOM 413 NZ LYS A 39 3.007 1.182 -11.708 1.00 0.00 N ATOM 0 H LYS A 39 -0.545 -2.206 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 39 0.613 -3.563 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.678 -1.755 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.701 -2.470 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.235 -1.235 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.275 -0.092 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.228 -1.017 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.056 -1.939 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.810 -0.109 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.966 0.651 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.803 2.008 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.086 1.484 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.903 0.748 -12.010 1.00 0.00 H new ATOM 427 N LEU A 40 1.729 -4.487 -6.965 1.00 0.00 N ATOM 428 CA LEU A 40 2.292 -5.610 -6.235 1.00 0.00 C ATOM 429 C LEU A 40 1.371 -6.823 -6.383 1.00 0.00 C ATOM 430 O LEU A 40 1.814 -7.963 -6.255 1.00 0.00 O ATOM 431 CB LEU A 40 2.567 -5.220 -4.781 1.00 0.00 C ATOM 432 CG LEU A 40 3.552 -4.069 -4.570 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.492 -3.553 -3.131 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.970 -4.480 -4.972 1.00 0.00 C ATOM 0 H LEU A 40 1.693 -3.612 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 40 3.258 -5.891 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.620 -4.952 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.946 -6.097 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 40 3.259 -3.245 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.202 -2.735 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.485 -3.195 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.746 -4.360 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.650 -3.644 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.289 -5.328 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.982 -4.762 -6.025 1.00 0.00 H new ATOM 446 N GLU A 41 0.105 -6.535 -6.650 1.00 0.00 N ATOM 447 CA GLU A 41 -0.882 -7.588 -6.817 1.00 0.00 C ATOM 448 C GLU A 41 -0.539 -8.450 -8.034 1.00 0.00 C ATOM 449 O GLU A 41 -0.646 -9.674 -7.982 1.00 0.00 O ATOM 450 CB GLU A 41 -2.291 -7.004 -6.938 1.00 0.00 C ATOM 451 CG GLU A 41 -2.946 -6.863 -5.563 1.00 0.00 C ATOM 452 CD GLU A 41 -4.463 -7.044 -5.657 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.877 -8.067 -6.243 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.173 -6.155 -5.140 1.00 0.00 O ATOM 0 H GLU A 41 -0.259 -5.588 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.862 -8.222 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.244 -6.029 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.902 -7.647 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.529 -7.603 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.718 -5.882 -5.147 1.00 0.00 H new ATOM 461 N GLN A 42 -0.134 -7.776 -9.100 1.00 0.00 N ATOM 462 CA GLN A 42 0.226 -8.465 -10.328 1.00 0.00 C ATOM 463 C GLN A 42 1.747 -8.495 -10.494 1.00 0.00 C ATOM 464 O GLN A 42 2.261 -9.121 -11.420 1.00 0.00 O ATOM 465 CB GLN A 42 -0.445 -7.813 -11.539 1.00 0.00 C ATOM 466 CG GLN A 42 -0.084 -6.329 -11.632 1.00 0.00 C ATOM 467 CD GLN A 42 -0.461 -5.758 -13.001 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.516 -5.175 -13.191 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.458 -5.958 -13.942 1.00 0.00 N ATOM 0 H GLN A 42 -0.047 -6.760 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.133 -9.492 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.135 -8.324 -12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.527 -7.924 -11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.601 -5.775 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.985 -6.200 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.320 -6.454 -13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.301 -5.615 -14.890 1.00 0.00 H new ATOM 478 N ALA A 43 2.423 -7.812 -9.583 1.00 0.00 N ATOM 479 CA ALA A 43 3.874 -7.752 -9.616 1.00 0.00 C ATOM 480 C ALA A 43 4.446 -8.809 -8.669 1.00 0.00 C ATOM 481 O ALA A 43 5.569 -9.274 -8.856 1.00 0.00 O ATOM 482 CB ALA A 43 4.336 -6.338 -9.260 1.00 0.00 C ATOM 0 H ALA A 43 1.992 -7.295 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 43 4.244 -7.972 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.425 -6.294 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.927 -5.630 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.985 -6.082 -8.260 1.00 0.00 H new ATOM 488 N LEU A 44 3.647 -9.157 -7.671 1.00 0.00 N ATOM 489 CA LEU A 44 4.059 -10.150 -6.693 1.00 0.00 C ATOM 490 C LEU A 44 2.955 -11.198 -6.541 1.00 0.00 C ATOM 491 O LEU A 44 3.229 -12.396 -6.525 1.00 0.00 O ATOM 492 CB LEU A 44 4.452 -9.475 -5.377 1.00 0.00 C ATOM 493 CG LEU A 44 5.688 -8.574 -5.429 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.858 -7.802 -4.119 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.939 -9.379 -5.787 1.00 0.00 C ATOM 0 H LEU A 44 2.716 -8.769 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 44 4.952 -10.674 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.607 -8.880 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.623 -10.251 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 44 5.542 -7.838 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.743 -7.169 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.979 -7.181 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.973 -8.505 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.803 -8.715 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.102 -10.152 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.805 -9.845 -6.763 1.00 0.00 H new ATOM 507 N SER A 45 1.728 -10.708 -6.432 1.00 0.00 N ATOM 508 CA SER A 45 0.582 -11.587 -6.281 1.00 0.00 C ATOM 509 C SER A 45 0.716 -12.407 -4.997 1.00 0.00 C ATOM 510 O SER A 45 0.736 -13.636 -5.040 1.00 0.00 O ATOM 511 CB SER A 45 0.435 -12.514 -7.490 1.00 0.00 C ATOM 512 OG SER A 45 -0.924 -12.654 -7.894 1.00 0.00 O ATOM 0 H SER A 45 1.503 -9.713 -6.445 1.00 0.00 H new ATOM 0 HA SER A 45 -0.315 -10.971 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.021 -12.122 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.844 -13.495 -7.246 1.00 0.00 H new ATOM 0 HG SER A 45 -1.309 -11.768 -8.060 1.00 0.00 H new ATOM 518 N PRO A 46 0.809 -11.675 -3.854 1.00 0.00 N ATOM 519 CA PRO A 46 0.941 -12.322 -2.560 1.00 0.00 C ATOM 520 C PRO A 46 -0.391 -12.923 -2.108 1.00 0.00 C ATOM 521 O PRO A 46 -1.402 -12.790 -2.797 1.00 0.00 O ATOM 522 CB PRO A 46 1.449 -11.235 -1.627 1.00 0.00 C ATOM 523 CG PRO A 46 1.140 -9.916 -2.317 1.00 0.00 C ATOM 524 CD PRO A 46 0.789 -10.218 -3.765 1.00 0.00 C ATOM 0 HA PRO A 46 1.631 -13.166 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.957 -11.292 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.519 -11.342 -1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.311 -9.411 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.999 -9.247 -2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.191 -9.819 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.509 -9.769 -4.449 1.00 0.00 H new ATOM 532 N GLU A 47 -0.351 -13.572 -0.954 1.00 0.00 N ATOM 533 CA GLU A 47 -1.542 -14.194 -0.402 1.00 0.00 C ATOM 534 C GLU A 47 -2.340 -13.177 0.417 1.00 0.00 C ATOM 535 O GLU A 47 -3.533 -13.365 0.654 1.00 0.00 O ATOM 536 CB GLU A 47 -1.181 -15.417 0.443 1.00 0.00 C ATOM 537 CG GLU A 47 -0.404 -16.444 -0.383 1.00 0.00 C ATOM 538 CD GLU A 47 -1.291 -17.633 -0.755 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.074 -18.054 0.124 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.167 -18.095 -1.910 1.00 0.00 O ATOM 0 H GLU A 47 0.489 -13.681 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.166 -14.536 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.583 -15.107 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.090 -15.873 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.022 -15.973 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.459 -16.793 0.183 1.00 0.00 H new ATOM 547 N VAL A 48 -1.651 -12.123 0.828 1.00 0.00 N ATOM 548 CA VAL A 48 -2.280 -11.077 1.616 1.00 0.00 C ATOM 549 C VAL A 48 -1.599 -9.740 1.318 1.00 0.00 C ATOM 550 O VAL A 48 -0.465 -9.511 1.737 1.00 0.00 O ATOM 551 CB VAL A 48 -2.247 -11.448 3.100 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.070 -10.462 3.930 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.729 -12.884 3.317 1.00 0.00 C ATOM 0 H VAL A 48 -0.662 -11.971 0.630 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.331 -10.974 1.344 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.212 -11.387 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.030 -10.749 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.662 -9.458 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.105 -10.475 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.696 -13.122 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.752 -12.983 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.083 -13.571 2.771 1.00 0.00 H new ATOM 563 N LEU A 49 -2.318 -8.893 0.597 1.00 0.00 N ATOM 564 CA LEU A 49 -1.797 -7.585 0.239 1.00 0.00 C ATOM 565 C LEU A 49 -2.726 -6.502 0.791 1.00 0.00 C ATOM 566 O LEU A 49 -3.805 -6.268 0.248 1.00 0.00 O ATOM 567 CB LEU A 49 -1.575 -7.493 -1.272 1.00 0.00 C ATOM 568 CG LEU A 49 -0.199 -6.995 -1.719 1.00 0.00 C ATOM 569 CD1 LEU A 49 0.034 -7.284 -3.203 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.018 -5.512 -1.388 1.00 0.00 C ATOM 0 H LEU A 49 -3.258 -9.087 0.251 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.818 -7.427 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.740 -8.480 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.333 -6.831 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 49 0.560 -7.544 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.019 -6.920 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.022 -8.358 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.729 -6.780 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.968 -5.184 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.784 -4.929 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.110 -5.366 -0.312 1.00 0.00 H new ATOM 582 N GLU A 50 -2.273 -5.870 1.864 1.00 0.00 N ATOM 583 CA GLU A 50 -3.050 -4.817 2.496 1.00 0.00 C ATOM 584 C GLU A 50 -2.274 -3.498 2.473 1.00 0.00 C ATOM 585 O GLU A 50 -1.045 -3.497 2.488 1.00 0.00 O ATOM 586 CB GLU A 50 -3.434 -5.202 3.926 1.00 0.00 C ATOM 587 CG GLU A 50 -4.662 -6.115 3.937 1.00 0.00 C ATOM 588 CD GLU A 50 -5.954 -5.296 3.972 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.386 -4.870 2.879 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.481 -5.115 5.091 1.00 0.00 O ATOM 0 H GLU A 50 -1.378 -6.067 2.312 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.972 -4.684 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.597 -5.707 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.640 -4.302 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.654 -6.751 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.622 -6.774 4.804 1.00 0.00 H new ATOM 597 N LEU A 51 -3.026 -2.408 2.437 1.00 0.00 N ATOM 598 CA LEU A 51 -2.424 -1.085 2.411 1.00 0.00 C ATOM 599 C LEU A 51 -3.294 -0.118 3.217 1.00 0.00 C ATOM 600 O LEU A 51 -4.513 -0.277 3.277 1.00 0.00 O ATOM 601 CB LEU A 51 -2.178 -0.636 0.969 1.00 0.00 C ATOM 602 CG LEU A 51 -0.917 0.198 0.732 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.542 0.214 -0.751 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.079 1.610 1.298 1.00 0.00 C ATOM 0 H LEU A 51 -4.046 -2.413 2.425 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.443 -1.103 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.127 -1.523 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.040 -0.057 0.638 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.091 -0.270 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.357 0.813 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.356 -0.805 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.360 0.645 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.169 2.181 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.920 2.103 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.263 1.553 2.371 1.00 0.00 H new ATOM 616 N ARG A 52 -2.634 0.862 3.816 1.00 0.00 N ATOM 617 CA ARG A 52 -3.332 1.854 4.616 1.00 0.00 C ATOM 618 C ARG A 52 -2.434 3.069 4.857 1.00 0.00 C ATOM 619 O ARG A 52 -1.214 2.979 4.728 1.00 0.00 O ATOM 620 CB ARG A 52 -3.764 1.272 5.963 1.00 0.00 C ATOM 621 CG ARG A 52 -5.164 1.756 6.347 1.00 0.00 C ATOM 622 CD ARG A 52 -6.230 1.110 5.459 1.00 0.00 C ATOM 623 NE ARG A 52 -7.578 1.388 6.003 1.00 0.00 N ATOM 624 CZ ARG A 52 -8.057 0.851 7.134 1.00 0.00 C ATOM 625 NH1 ARG A 52 -7.301 0.005 7.847 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.292 1.161 7.551 1.00 0.00 N ATOM 0 H ARG A 52 -1.623 0.990 3.763 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.221 2.159 4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.753 0.183 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.051 1.563 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.362 1.516 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.216 2.841 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.152 1.497 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.066 0.034 5.404 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.180 2.028 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.361 -0.230 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.666 -0.403 8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.867 1.805 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.657 0.753 8.411 1.00 0.00 H new ATOM 794 N THR A 66 1.887 10.461 1.798 1.00 0.00 N ATOM 795 CA THR A 66 3.262 9.993 1.808 1.00 0.00 C ATOM 796 C THR A 66 3.400 8.762 2.706 1.00 0.00 C ATOM 797 O THR A 66 3.477 7.637 2.215 1.00 0.00 O ATOM 798 CB THR A 66 4.155 11.160 2.235 1.00 0.00 C ATOM 799 OG1 THR A 66 3.693 11.490 3.542 1.00 0.00 O ATOM 800 CG2 THR A 66 3.896 12.426 1.417 1.00 0.00 C ATOM 0 HA THR A 66 3.577 9.669 0.816 1.00 0.00 H new ATOM 0 HB THR A 66 5.201 10.872 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.713 11.482 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.556 13.223 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.089 12.224 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.858 12.735 1.543 1.00 0.00 H new ATOM 808 N HIS A 67 3.427 9.017 4.006 1.00 0.00 N ATOM 809 CA HIS A 67 3.554 7.943 4.977 1.00 0.00 C ATOM 810 C HIS A 67 2.459 6.902 4.736 1.00 0.00 C ATOM 811 O HIS A 67 1.309 7.104 5.124 1.00 0.00 O ATOM 812 CB HIS A 67 3.543 8.497 6.403 1.00 0.00 C ATOM 813 CG HIS A 67 4.497 7.797 7.341 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.128 6.708 8.111 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.810 8.040 7.622 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.178 6.323 8.822 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.219 7.150 8.518 1.00 0.00 N ATOM 0 H HIS A 67 3.363 9.952 4.410 1.00 0.00 H new ATOM 0 HA HIS A 67 4.515 7.444 4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.793 9.557 6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.533 8.419 6.804 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.414 8.824 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.205 5.499 9.520 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.157 7.094 8.914 1.00 0.00 H new ATOM 825 N PHE A 68 2.855 5.810 4.099 1.00 0.00 N ATOM 826 CA PHE A 68 1.922 4.737 3.803 1.00 0.00 C ATOM 827 C PHE A 68 2.387 3.419 4.425 1.00 0.00 C ATOM 828 O PHE A 68 3.567 3.256 4.734 1.00 0.00 O ATOM 829 CB PHE A 68 1.885 4.583 2.281 1.00 0.00 C ATOM 830 CG PHE A 68 0.620 5.146 1.629 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.604 4.736 2.055 1.00 0.00 C ATOM 832 CD2 PHE A 68 0.721 6.057 0.624 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.778 5.259 1.451 1.00 0.00 C ATOM 834 CE2 PHE A 68 -0.453 6.579 0.019 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.677 6.170 0.445 1.00 0.00 C ATOM 0 H PHE A 68 3.810 5.645 3.780 1.00 0.00 H new ATOM 0 HA PHE A 68 0.940 4.975 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.755 5.083 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.971 3.526 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.684 4.012 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.694 6.383 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.751 4.934 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.373 7.301 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.570 6.568 -0.015 1.00 0.00 H new ATOM 845 N ARG A 69 1.436 2.511 4.590 1.00 0.00 N ATOM 846 CA ARG A 69 1.734 1.212 5.169 1.00 0.00 C ATOM 847 C ARG A 69 1.099 0.100 4.333 1.00 0.00 C ATOM 848 O ARG A 69 -0.118 0.072 4.151 1.00 0.00 O ATOM 849 CB ARG A 69 1.217 1.119 6.606 1.00 0.00 C ATOM 850 CG ARG A 69 1.766 -0.125 7.307 1.00 0.00 C ATOM 851 CD ARG A 69 1.797 0.069 8.825 1.00 0.00 C ATOM 852 NE ARG A 69 3.197 0.169 9.294 1.00 0.00 N ATOM 853 CZ ARG A 69 3.559 0.693 10.473 1.00 0.00 C ATOM 854 NH1 ARG A 69 2.626 1.167 11.310 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.853 0.742 10.816 1.00 0.00 N ATOM 0 H ARG A 69 0.459 2.649 4.333 1.00 0.00 H new ATOM 0 HA ARG A 69 2.817 1.092 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.509 2.011 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.127 1.088 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.148 -0.988 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.771 -0.338 6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.249 0.971 9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.299 -0.766 9.317 1.00 0.00 H new ATOM 0 HE ARG A 69 3.933 -0.183 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.641 1.129 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.901 1.566 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.563 0.380 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.128 1.141 11.714 1.00 0.00 H new ATOM 869 N VAL A 70 1.951 -0.791 3.846 1.00 0.00 N ATOM 870 CA VAL A 70 1.488 -1.903 3.033 1.00 0.00 C ATOM 871 C VAL A 70 1.953 -3.217 3.663 1.00 0.00 C ATOM 872 O VAL A 70 3.073 -3.307 4.165 1.00 0.00 O ATOM 873 CB VAL A 70 1.964 -1.730 1.590 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.379 -2.284 1.409 1.00 0.00 C ATOM 875 CG2 VAL A 70 0.989 -2.384 0.609 1.00 0.00 C ATOM 0 H VAL A 70 2.959 -0.765 3.999 1.00 0.00 H new ATOM 0 HA VAL A 70 0.399 -1.925 3.001 1.00 0.00 H new ATOM 0 HB VAL A 70 1.992 -0.662 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.693 -2.148 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.065 -1.753 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.388 -3.346 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.351 -2.246 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.914 -3.449 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.007 -1.923 0.710 1.00 0.00 H new ATOM 885 N ALA A 71 1.071 -4.204 3.615 1.00 0.00 N ATOM 886 CA ALA A 71 1.377 -5.510 4.174 1.00 0.00 C ATOM 887 C ALA A 71 1.332 -6.560 3.062 1.00 0.00 C ATOM 888 O ALA A 71 0.256 -7.018 2.680 1.00 0.00 O ATOM 889 CB ALA A 71 0.401 -5.821 5.310 1.00 0.00 C ATOM 0 H ALA A 71 0.144 -4.126 3.197 1.00 0.00 H new ATOM 0 HA ALA A 71 2.382 -5.520 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.631 -6.801 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.494 -5.063 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.618 -5.822 4.924 1.00 0.00 H new ATOM 895 N VAL A 72 2.513 -6.911 2.575 1.00 0.00 N ATOM 896 CA VAL A 72 2.621 -7.898 1.515 1.00 0.00 C ATOM 897 C VAL A 72 2.898 -9.272 2.129 1.00 0.00 C ATOM 898 O VAL A 72 3.679 -9.388 3.072 1.00 0.00 O ATOM 899 CB VAL A 72 3.688 -7.468 0.506 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.084 -7.516 1.130 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.623 -8.325 -0.760 1.00 0.00 C ATOM 0 H VAL A 72 3.403 -6.529 2.895 1.00 0.00 H new ATOM 0 HA VAL A 72 1.683 -7.971 0.965 1.00 0.00 H new ATOM 0 HB VAL A 72 3.484 -6.436 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.823 -7.206 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.123 -6.844 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.302 -8.533 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.392 -7.998 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.789 -9.371 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.642 -8.217 -1.222 1.00 0.00 H new ATOM 911 N VAL A 73 2.244 -10.279 1.569 1.00 0.00 N ATOM 912 CA VAL A 73 2.410 -11.639 2.050 1.00 0.00 C ATOM 913 C VAL A 73 2.641 -12.572 0.859 1.00 0.00 C ATOM 914 O VAL A 73 1.692 -13.128 0.308 1.00 0.00 O ATOM 915 CB VAL A 73 1.206 -12.044 2.901 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.306 -13.509 3.331 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.059 -11.125 4.116 1.00 0.00 C ATOM 0 H VAL A 73 1.598 -10.180 0.786 1.00 0.00 H new ATOM 0 HA VAL A 73 3.286 -11.711 2.695 1.00 0.00 H new ATOM 0 HB VAL A 73 0.311 -11.935 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.437 -13.771 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.339 -14.146 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.213 -13.655 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.195 -11.435 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.957 -11.187 4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.919 -10.097 3.780 1.00 0.00 H new ATOM 927 N SER A 74 3.908 -12.714 0.496 1.00 0.00 N ATOM 928 CA SER A 74 4.275 -13.570 -0.619 1.00 0.00 C ATOM 929 C SER A 74 5.482 -14.431 -0.243 1.00 0.00 C ATOM 930 O SER A 74 6.154 -14.163 0.752 1.00 0.00 O ATOM 931 CB SER A 74 4.582 -12.743 -1.869 1.00 0.00 C ATOM 932 OG SER A 74 3.730 -13.085 -2.959 1.00 0.00 O ATOM 0 H SER A 74 4.693 -12.251 0.954 1.00 0.00 H new ATOM 0 HA SER A 74 3.430 -14.220 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.469 -11.683 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.621 -12.897 -2.159 1.00 0.00 H new ATOM 0 HG SER A 74 3.957 -12.534 -3.737 1.00 0.00 H new ATOM 938 N SER A 75 5.721 -15.448 -1.057 1.00 0.00 N ATOM 939 CA SER A 75 6.835 -16.351 -0.822 1.00 0.00 C ATOM 940 C SER A 75 8.105 -15.793 -1.467 1.00 0.00 C ATOM 941 O SER A 75 9.187 -16.354 -1.303 1.00 0.00 O ATOM 942 CB SER A 75 6.535 -17.750 -1.364 1.00 0.00 C ATOM 943 OG SER A 75 6.489 -17.772 -2.788 1.00 0.00 O ATOM 0 H SER A 75 5.162 -15.667 -1.881 1.00 0.00 H new ATOM 0 HA SER A 75 6.987 -16.433 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.298 -18.445 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.582 -18.097 -0.965 1.00 0.00 H new ATOM 0 HG SER A 75 6.297 -18.683 -3.095 1.00 0.00 H new ATOM 949 N ARG A 76 7.931 -14.695 -2.188 1.00 0.00 N ATOM 950 CA ARG A 76 9.050 -14.055 -2.859 1.00 0.00 C ATOM 951 C ARG A 76 10.157 -13.732 -1.854 1.00 0.00 C ATOM 952 O ARG A 76 11.341 -13.819 -2.179 1.00 0.00 O ATOM 953 CB ARG A 76 8.611 -12.765 -3.555 1.00 0.00 C ATOM 954 CG ARG A 76 7.903 -13.069 -4.877 1.00 0.00 C ATOM 955 CD ARG A 76 8.883 -13.010 -6.050 1.00 0.00 C ATOM 956 NE ARG A 76 9.991 -13.968 -5.833 1.00 0.00 N ATOM 957 CZ ARG A 76 9.918 -15.277 -6.112 1.00 0.00 C ATOM 958 NH1 ARG A 76 8.790 -15.791 -6.621 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.973 -16.070 -5.882 1.00 0.00 N ATOM 0 H ARG A 76 7.032 -14.232 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 76 9.427 -14.749 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.943 -12.204 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.480 -12.134 -3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.446 -14.057 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.097 -12.352 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.365 -13.245 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.280 -12.000 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 76 10.864 -13.609 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.988 -15.186 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.734 -16.787 -6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.831 -15.678 -5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.918 -17.066 -6.094 1.00 0.00 H new ATOM 973 N PHE A 77 9.734 -13.368 -0.652 1.00 0.00 N ATOM 974 CA PHE A 77 10.675 -13.032 0.402 1.00 0.00 C ATOM 975 C PHE A 77 10.963 -14.246 1.287 1.00 0.00 C ATOM 976 O PHE A 77 11.022 -14.128 2.510 1.00 0.00 O ATOM 977 CB PHE A 77 10.023 -11.939 1.252 1.00 0.00 C ATOM 978 CG PHE A 77 9.288 -10.873 0.438 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.960 -10.147 -0.496 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.963 -10.651 0.648 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.277 -9.158 -1.252 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.280 -9.661 -0.108 1.00 0.00 C ATOM 983 CZ PHE A 77 7.952 -8.935 -1.042 1.00 0.00 C ATOM 0 H PHE A 77 8.752 -13.299 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 77 11.618 -12.701 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.320 -12.402 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.791 -11.455 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 77 11.013 -10.323 -0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.430 -11.227 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.810 -8.582 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.228 -9.485 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.433 -8.182 -1.617 1.00 0.00 H new ATOM 993 N GLU A 78 11.136 -15.386 0.635 1.00 0.00 N ATOM 994 CA GLU A 78 11.416 -16.621 1.347 1.00 0.00 C ATOM 995 C GLU A 78 12.912 -16.731 1.651 1.00 0.00 C ATOM 996 O GLU A 78 13.653 -17.377 0.912 1.00 0.00 O ATOM 997 CB GLU A 78 10.927 -17.835 0.554 1.00 0.00 C ATOM 998 CG GLU A 78 9.593 -18.346 1.101 1.00 0.00 C ATOM 999 CD GLU A 78 9.764 -19.708 1.779 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.861 -19.932 2.334 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.793 -20.493 1.726 1.00 0.00 O ATOM 0 H GLU A 78 11.088 -15.480 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 78 10.873 -16.603 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.814 -17.566 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.672 -18.629 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.190 -17.628 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.870 -18.428 0.289 1.00 0.00 H new ATOM 1008 N GLY A 79 13.310 -16.090 2.740 1.00 0.00 N ATOM 1009 CA GLY A 79 14.704 -16.107 3.150 1.00 0.00 C ATOM 1010 C GLY A 79 15.414 -14.817 2.736 1.00 0.00 C ATOM 1011 O GLY A 79 16.401 -14.421 3.354 1.00 0.00 O ATOM 0 H GLY A 79 12.692 -15.556 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.767 -16.230 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.208 -16.963 2.702 1.00 0.00 H new ATOM 1015 N MET A 80 14.883 -14.196 1.693 1.00 0.00 N ATOM 1016 CA MET A 80 15.454 -12.958 1.189 1.00 0.00 C ATOM 1017 C MET A 80 15.836 -12.023 2.338 1.00 0.00 C ATOM 1018 O MET A 80 15.426 -12.234 3.478 1.00 0.00 O ATOM 1019 CB MET A 80 14.440 -12.262 0.279 1.00 0.00 C ATOM 1020 CG MET A 80 14.296 -13.004 -1.051 1.00 0.00 C ATOM 1021 SD MET A 80 14.913 -11.991 -2.385 1.00 0.00 S ATOM 1022 CE MET A 80 13.377 -11.331 -3.010 1.00 0.00 C ATOM 0 H MET A 80 14.064 -14.527 1.183 1.00 0.00 H new ATOM 0 HA MET A 80 16.356 -13.198 0.626 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.472 -12.212 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.757 -11.235 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.846 -13.945 -1.013 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.249 -13.253 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.173 -11.753 -3.994 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.566 -11.590 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.452 -10.246 -3.089 1.00 0.00 H new ATOM 1032 N SER A 81 16.617 -11.008 1.997 1.00 0.00 N ATOM 1033 CA SER A 81 17.059 -10.040 2.986 1.00 0.00 C ATOM 1034 C SER A 81 15.910 -9.094 3.343 1.00 0.00 C ATOM 1035 O SER A 81 14.880 -9.082 2.671 1.00 0.00 O ATOM 1036 CB SER A 81 18.263 -9.244 2.478 1.00 0.00 C ATOM 1037 OG SER A 81 19.429 -9.481 3.262 1.00 0.00 O ATOM 0 H SER A 81 16.955 -10.835 1.050 1.00 0.00 H new ATOM 0 HA SER A 81 17.367 -10.582 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.463 -9.512 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.026 -8.180 2.493 1.00 0.00 H new ATOM 0 HG SER A 81 20.176 -8.956 2.905 1.00 0.00 H new ATOM 1043 N PRO A 82 16.131 -8.305 4.428 1.00 0.00 N ATOM 1044 CA PRO A 82 15.127 -7.358 4.882 1.00 0.00 C ATOM 1045 C PRO A 82 15.069 -6.137 3.962 1.00 0.00 C ATOM 1046 O PRO A 82 14.029 -5.489 3.849 1.00 0.00 O ATOM 1047 CB PRO A 82 15.529 -7.010 6.306 1.00 0.00 C ATOM 1048 CG PRO A 82 16.990 -7.410 6.436 1.00 0.00 C ATOM 1049 CD PRO A 82 17.339 -8.292 5.248 1.00 0.00 C ATOM 0 HA PRO A 82 14.118 -7.770 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.397 -5.946 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.912 -7.545 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.628 -6.526 6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.158 -7.945 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.189 -7.893 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.611 -9.298 5.568 1.00 0.00 H new ATOM 1057 N LEU A 83 16.198 -5.860 3.327 1.00 0.00 N ATOM 1058 CA LEU A 83 16.289 -4.728 2.421 1.00 0.00 C ATOM 1059 C LEU A 83 15.695 -5.117 1.065 1.00 0.00 C ATOM 1060 O LEU A 83 14.844 -4.407 0.530 1.00 0.00 O ATOM 1061 CB LEU A 83 17.730 -4.222 2.338 1.00 0.00 C ATOM 1062 CG LEU A 83 17.978 -3.056 1.378 1.00 0.00 C ATOM 1063 CD1 LEU A 83 17.330 -1.771 1.898 1.00 0.00 C ATOM 1064 CD2 LEU A 83 19.473 -2.876 1.109 1.00 0.00 C ATOM 0 H LEU A 83 17.058 -6.400 3.422 1.00 0.00 H new ATOM 0 HA LEU A 83 15.703 -3.890 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.045 -3.918 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.369 -5.053 2.041 1.00 0.00 H new ATOM 0 HG LEU A 83 17.506 -3.292 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.521 -0.958 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.255 -1.920 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 83 17.752 -1.519 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.622 -2.041 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.989 -2.672 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.875 -3.786 0.664 1.00 0.00 H new ATOM 1076 N GLN A 84 16.166 -6.242 0.549 1.00 0.00 N ATOM 1077 CA GLN A 84 15.692 -6.734 -0.733 1.00 0.00 C ATOM 1078 C GLN A 84 14.162 -6.720 -0.774 1.00 0.00 C ATOM 1079 O GLN A 84 13.569 -6.395 -1.801 1.00 0.00 O ATOM 1080 CB GLN A 84 16.236 -8.135 -1.018 1.00 0.00 C ATOM 1081 CG GLN A 84 17.757 -8.111 -1.178 1.00 0.00 C ATOM 1082 CD GLN A 84 18.276 -9.456 -1.690 1.00 0.00 C ATOM 1083 OE1 GLN A 84 19.131 -10.089 -1.092 1.00 0.00 O ATOM 1084 NE2 GLN A 84 17.713 -9.856 -2.826 1.00 0.00 N ATOM 0 H GLN A 84 16.872 -6.828 0.996 1.00 0.00 H new ATOM 0 HA GLN A 84 16.063 -6.071 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.963 -8.807 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.778 -8.529 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.041 -7.320 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.223 -7.878 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.003 -9.277 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.991 -10.742 -3.249 1.00 0.00 H new ATOM 1093 N ARG A 85 13.569 -7.076 0.355 1.00 0.00 N ATOM 1094 CA ARG A 85 12.120 -7.109 0.461 1.00 0.00 C ATOM 1095 C ARG A 85 11.525 -5.769 0.022 1.00 0.00 C ATOM 1096 O ARG A 85 10.810 -5.701 -0.977 1.00 0.00 O ATOM 1097 CB ARG A 85 11.679 -7.409 1.895 1.00 0.00 C ATOM 1098 CG ARG A 85 11.887 -8.886 2.235 1.00 0.00 C ATOM 1099 CD ARG A 85 11.981 -9.093 3.748 1.00 0.00 C ATOM 1100 NE ARG A 85 12.892 -10.220 4.049 1.00 0.00 N ATOM 1101 CZ ARG A 85 13.186 -10.638 5.288 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.641 -10.026 6.348 1.00 0.00 N ATOM 1103 NH2 ARG A 85 14.023 -11.669 5.466 1.00 0.00 N ATOM 0 H ARG A 85 14.065 -7.344 1.205 1.00 0.00 H new ATOM 0 HA ARG A 85 11.758 -7.903 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.245 -6.789 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.628 -7.148 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.062 -9.475 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.798 -9.248 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.344 -8.183 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.991 -9.295 4.158 1.00 0.00 H new ATOM 0 HE ARG A 85 13.323 -10.709 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.003 -9.242 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.865 -10.344 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.436 -12.136 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.247 -11.987 6.409 1.00 0.00 H new ATOM 1117 N HIS A 86 11.843 -4.737 0.790 1.00 0.00 N ATOM 1118 CA HIS A 86 11.349 -3.403 0.492 1.00 0.00 C ATOM 1119 C HIS A 86 11.764 -3.007 -0.926 1.00 0.00 C ATOM 1120 O HIS A 86 11.049 -2.268 -1.602 1.00 0.00 O ATOM 1121 CB HIS A 86 11.818 -2.402 1.549 1.00 0.00 C ATOM 1122 CG HIS A 86 11.138 -2.558 2.888 1.00 0.00 C ATOM 1123 ND1 HIS A 86 10.775 -1.479 3.676 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.757 -3.677 3.570 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.204 -1.940 4.779 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.195 -3.302 4.712 1.00 0.00 N ATOM 0 H HIS A 86 12.436 -4.798 1.618 1.00 0.00 H new ATOM 0 HA HIS A 86 10.260 -3.398 0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.894 -2.510 1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.643 -1.391 1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.890 -4.696 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.814 -1.342 5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.818 -3.929 5.423 1.00 0.00 H new ATOM 1134 N ARG A 87 12.918 -3.514 -1.334 1.00 0.00 N ATOM 1135 CA ARG A 87 13.437 -3.222 -2.660 1.00 0.00 C ATOM 1136 C ARG A 87 12.536 -3.841 -3.730 1.00 0.00 C ATOM 1137 O ARG A 87 12.305 -3.238 -4.777 1.00 0.00 O ATOM 1138 CB ARG A 87 14.859 -3.761 -2.825 1.00 0.00 C ATOM 1139 CG ARG A 87 15.507 -3.215 -4.099 1.00 0.00 C ATOM 1140 CD ARG A 87 16.703 -4.073 -4.516 1.00 0.00 C ATOM 1141 NE ARG A 87 17.873 -3.210 -4.794 1.00 0.00 N ATOM 1142 CZ ARG A 87 17.936 -2.331 -5.804 1.00 0.00 C ATOM 1143 NH1 ARG A 87 16.897 -2.195 -6.639 1.00 0.00 N ATOM 1144 NH2 ARG A 87 19.038 -1.590 -5.979 1.00 0.00 N ATOM 0 H ARG A 87 13.508 -4.125 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 87 13.456 -2.139 -2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.460 -3.483 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.837 -4.850 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.773 -3.193 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.832 -2.187 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.945 -4.784 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.452 -4.656 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 87 18.682 -3.289 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.058 -2.760 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.945 -1.526 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.829 -1.695 -5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.086 -0.921 -6.748 1.00 0.00 H new ATOM 1158 N LEU A 88 12.052 -5.038 -3.432 1.00 0.00 N ATOM 1159 CA LEU A 88 11.182 -5.745 -4.356 1.00 0.00 C ATOM 1160 C LEU A 88 9.996 -4.850 -4.719 1.00 0.00 C ATOM 1161 O LEU A 88 9.666 -4.697 -5.894 1.00 0.00 O ATOM 1162 CB LEU A 88 10.774 -7.101 -3.776 1.00 0.00 C ATOM 1163 CG LEU A 88 11.501 -8.321 -4.347 1.00 0.00 C ATOM 1164 CD1 LEU A 88 10.775 -8.864 -5.580 1.00 0.00 C ATOM 1165 CD2 LEU A 88 12.967 -7.997 -4.642 1.00 0.00 C ATOM 0 H LEU A 88 12.246 -5.536 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 88 11.710 -5.966 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.937 -7.077 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.704 -7.234 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 88 11.490 -9.109 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.312 -9.730 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.762 -9.158 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.733 -8.091 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.461 -8.881 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.021 -7.186 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.465 -7.693 -3.721 1.00 0.00 H new ATOM 1177 N VAL A 89 9.386 -4.282 -3.689 1.00 0.00 N ATOM 1178 CA VAL A 89 8.244 -3.406 -3.885 1.00 0.00 C ATOM 1179 C VAL A 89 8.713 -2.100 -4.530 1.00 0.00 C ATOM 1180 O VAL A 89 8.042 -1.562 -5.410 1.00 0.00 O ATOM 1181 CB VAL A 89 7.516 -3.189 -2.557 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.289 -2.295 -2.744 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.130 -4.525 -1.919 1.00 0.00 C ATOM 0 H VAL A 89 9.662 -4.412 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 89 7.524 -3.864 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 89 8.201 -2.680 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.790 -2.157 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.601 -1.326 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.601 -2.764 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.614 -4.342 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.472 -5.073 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.029 -5.112 -1.733 1.00 0.00 H new ATOM 1193 N HIS A 90 9.861 -1.628 -4.067 1.00 0.00 N ATOM 1194 CA HIS A 90 10.427 -0.395 -4.588 1.00 0.00 C ATOM 1195 C HIS A 90 10.720 -0.555 -6.081 1.00 0.00 C ATOM 1196 O HIS A 90 10.529 0.378 -6.859 1.00 0.00 O ATOM 1197 CB HIS A 90 11.660 0.019 -3.783 1.00 0.00 C ATOM 1198 CG HIS A 90 11.396 0.210 -2.308 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.230 0.175 -1.600 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 12.401 0.472 -1.394 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.509 0.402 -0.322 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.854 0.587 -0.193 1.00 0.00 N flip ATOM 0 H HIS A 90 10.414 -2.077 -3.337 1.00 0.00 H new ATOM 0 HA HIS A 90 9.705 0.415 -4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.434 -0.739 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.054 0.948 -4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.453 0.567 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.789 0.435 0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 90 12.352 0.780 0.676 1.00 0.00 H new ATOM 1210 N GLU A 91 11.180 -1.746 -6.436 1.00 0.00 N ATOM 1211 CA GLU A 91 11.501 -2.041 -7.823 1.00 0.00 C ATOM 1212 C GLU A 91 10.260 -1.876 -8.702 1.00 0.00 C ATOM 1213 O GLU A 91 10.321 -1.243 -9.755 1.00 0.00 O ATOM 1214 CB GLU A 91 12.089 -3.446 -7.962 1.00 0.00 C ATOM 1215 CG GLU A 91 13.541 -3.388 -8.440 1.00 0.00 C ATOM 1216 CD GLU A 91 13.862 -4.565 -9.364 1.00 0.00 C ATOM 1217 OE1 GLU A 91 12.920 -5.025 -10.045 1.00 0.00 O ATOM 1218 OE2 GLU A 91 15.042 -4.979 -9.367 1.00 0.00 O ATOM 0 H GLU A 91 11.338 -2.518 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 91 12.257 -1.331 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.038 -3.962 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.493 -4.025 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.717 -2.450 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.211 -3.402 -7.581 1.00 0.00 H new ATOM 1225 N ALA A 92 9.163 -2.457 -8.237 1.00 0.00 N ATOM 1226 CA ALA A 92 7.910 -2.382 -8.968 1.00 0.00 C ATOM 1227 C ALA A 92 7.301 -0.990 -8.786 1.00 0.00 C ATOM 1228 O ALA A 92 6.733 -0.430 -9.723 1.00 0.00 O ATOM 1229 CB ALA A 92 6.974 -3.495 -8.492 1.00 0.00 C ATOM 0 H ALA A 92 9.117 -2.981 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 92 8.078 -2.531 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.034 -3.439 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.441 -4.464 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.780 -3.376 -7.426 1.00 0.00 H new ATOM 1235 N LEU A 93 7.439 -0.473 -7.575 1.00 0.00 N ATOM 1236 CA LEU A 93 6.909 0.843 -7.258 1.00 0.00 C ATOM 1237 C LEU A 93 8.067 1.795 -6.953 1.00 0.00 C ATOM 1238 O LEU A 93 8.152 2.342 -5.854 1.00 0.00 O ATOM 1239 CB LEU A 93 5.877 0.748 -6.132 1.00 0.00 C ATOM 1240 CG LEU A 93 4.564 0.047 -6.483 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.148 0.350 -7.923 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.657 -1.457 -6.218 1.00 0.00 C ATOM 0 H LEU A 93 7.910 -0.941 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 93 6.375 1.255 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.332 0.224 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.647 1.757 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 93 3.783 0.441 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.211 -0.161 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.013 1.425 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.923 0.002 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.710 -1.931 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.454 -1.885 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.873 -1.628 -5.163 1.00 0.00 H new ATOM 1254 N SER A 94 8.930 1.963 -7.944 1.00 0.00 N ATOM 1255 CA SER A 94 10.080 2.839 -7.795 1.00 0.00 C ATOM 1256 C SER A 94 9.661 4.294 -8.015 1.00 0.00 C ATOM 1257 O SER A 94 10.269 5.209 -7.463 1.00 0.00 O ATOM 1258 CB SER A 94 11.195 2.454 -8.769 1.00 0.00 C ATOM 1259 OG SER A 94 12.152 1.585 -8.169 1.00 0.00 O ATOM 0 H SER A 94 8.856 1.507 -8.854 1.00 0.00 H new ATOM 0 HA SER A 94 10.466 2.728 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.761 1.967 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.695 3.356 -9.122 1.00 0.00 H new ATOM 0 HG SER A 94 11.782 1.212 -7.342 1.00 0.00 H new ATOM 1265 N GLU A 95 8.624 4.462 -8.823 1.00 0.00 N ATOM 1266 CA GLU A 95 8.117 5.790 -9.124 1.00 0.00 C ATOM 1267 C GLU A 95 7.159 6.253 -8.024 1.00 0.00 C ATOM 1268 O GLU A 95 6.785 7.424 -7.975 1.00 0.00 O ATOM 1269 CB GLU A 95 7.435 5.820 -10.493 1.00 0.00 C ATOM 1270 CG GLU A 95 8.467 5.928 -11.617 1.00 0.00 C ATOM 1271 CD GLU A 95 8.966 7.367 -11.767 1.00 0.00 C ATOM 1272 OE1 GLU A 95 8.191 8.277 -11.402 1.00 0.00 O ATOM 1273 OE2 GLU A 95 10.111 7.524 -12.243 1.00 0.00 O ATOM 0 H GLU A 95 8.121 3.700 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 95 8.960 6.480 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.840 4.917 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.748 6.665 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.308 5.268 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.025 5.593 -12.555 1.00 0.00 H new ATOM 1280 N GLU A 96 6.791 5.311 -7.169 1.00 0.00 N ATOM 1281 CA GLU A 96 5.884 5.608 -6.073 1.00 0.00 C ATOM 1282 C GLU A 96 6.640 6.284 -4.927 1.00 0.00 C ATOM 1283 O GLU A 96 6.115 7.189 -4.281 1.00 0.00 O ATOM 1284 CB GLU A 96 5.174 4.342 -5.590 1.00 0.00 C ATOM 1285 CG GLU A 96 4.434 3.656 -6.740 1.00 0.00 C ATOM 1286 CD GLU A 96 3.340 4.564 -7.306 1.00 0.00 C ATOM 1287 OE1 GLU A 96 2.775 5.340 -6.505 1.00 0.00 O ATOM 1288 OE2 GLU A 96 3.092 4.461 -8.527 1.00 0.00 O ATOM 0 H GLU A 96 7.104 4.341 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 96 5.121 6.297 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.902 3.654 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.469 4.596 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.140 3.396 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.992 2.724 -6.388 1.00 0.00 H new ATOM 1295 N LEU A 97 7.861 5.817 -4.709 1.00 0.00 N ATOM 1296 CA LEU A 97 8.694 6.365 -3.652 1.00 0.00 C ATOM 1297 C LEU A 97 9.686 7.361 -4.256 1.00 0.00 C ATOM 1298 O LEU A 97 10.536 7.902 -3.549 1.00 0.00 O ATOM 1299 CB LEU A 97 9.360 5.240 -2.857 1.00 0.00 C ATOM 1300 CG LEU A 97 8.427 4.146 -2.334 1.00 0.00 C ATOM 1301 CD1 LEU A 97 9.017 2.756 -2.584 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.093 4.369 -0.858 1.00 0.00 C ATOM 0 H LEU A 97 8.293 5.065 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 97 8.086 6.915 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.116 4.774 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.882 5.681 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 97 7.490 4.203 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.334 1.997 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.162 2.609 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.976 2.671 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.429 3.577 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.011 4.355 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.601 5.334 -0.738 1.00 0.00 H new ATOM 1314 N ALA A 98 9.545 7.574 -5.556 1.00 0.00 N ATOM 1315 CA ALA A 98 10.418 8.496 -6.262 1.00 0.00 C ATOM 1316 C ALA A 98 9.588 9.658 -6.813 1.00 0.00 C ATOM 1317 O ALA A 98 9.828 10.124 -7.926 1.00 0.00 O ATOM 1318 CB ALA A 98 11.172 7.745 -7.362 1.00 0.00 C ATOM 0 H ALA A 98 8.839 7.124 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 98 11.162 8.915 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.827 8.437 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.769 6.950 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.458 7.313 -8.063 1.00 0.00 H new ATOM 1324 N GLY A 99 8.629 10.091 -6.008 1.00 0.00 N ATOM 1325 CA GLY A 99 7.762 11.189 -6.401 1.00 0.00 C ATOM 1326 C GLY A 99 6.701 11.459 -5.333 1.00 0.00 C ATOM 1327 O GLY A 99 6.823 12.405 -4.557 1.00 0.00 O ATOM 0 H GLY A 99 8.433 9.702 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.358 12.088 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.278 10.953 -7.349 1.00 0.00 H new ATOM 1331 N PRO A 100 5.656 10.588 -5.327 1.00 0.00 N ATOM 1332 CA PRO A 100 4.574 10.723 -4.367 1.00 0.00 C ATOM 1333 C PRO A 100 5.014 10.259 -2.977 1.00 0.00 C ATOM 1334 O PRO A 100 5.341 11.078 -2.120 1.00 0.00 O ATOM 1335 CB PRO A 100 3.436 9.893 -4.938 1.00 0.00 C ATOM 1336 CG PRO A 100 4.071 8.955 -5.950 1.00 0.00 C ATOM 1337 CD PRO A 100 5.478 9.456 -6.231 1.00 0.00 C ATOM 0 HA PRO A 100 4.262 11.758 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.928 9.334 -4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.688 10.529 -5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.099 7.937 -5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.484 8.930 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.220 8.679 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.590 9.759 -7.272 1.00 0.00 H new ATOM 1345 N VAL A 101 5.007 8.946 -2.797 1.00 0.00 N ATOM 1346 CA VAL A 101 5.401 8.363 -1.525 1.00 0.00 C ATOM 1347 C VAL A 101 6.832 8.791 -1.195 1.00 0.00 C ATOM 1348 O VAL A 101 7.678 8.879 -2.083 1.00 0.00 O ATOM 1349 CB VAL A 101 5.225 6.844 -1.569 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.375 6.234 -0.174 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.881 6.465 -2.193 1.00 0.00 C ATOM 0 H VAL A 101 4.735 8.270 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 101 4.760 8.727 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 101 6.013 6.434 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.245 5.153 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.367 6.459 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.619 6.654 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.782 5.380 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.072 6.893 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.830 6.852 -3.211 1.00 0.00 H new ATOM 1361 N HIS A 102 7.059 9.045 0.086 1.00 0.00 N ATOM 1362 CA HIS A 102 8.373 9.461 0.544 1.00 0.00 C ATOM 1363 C HIS A 102 8.957 8.391 1.469 1.00 0.00 C ATOM 1364 O HIS A 102 10.158 8.127 1.440 1.00 0.00 O ATOM 1365 CB HIS A 102 8.308 10.841 1.202 1.00 0.00 C ATOM 1366 CG HIS A 102 8.005 11.965 0.240 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.636 11.940 -1.073 1.00 0.00 N flip ATOM 1368 CD2 HIS A 102 8.070 13.300 0.602 1.00 0.00 C flip ATOM 1369 CE1 HIS A 102 7.482 13.191 -1.489 1.00 0.00 C flip ATOM 1370 NE2 HIS A 102 7.751 14.035 -0.452 1.00 0.00 N flip ATOM 0 H HIS A 102 6.355 8.971 0.820 1.00 0.00 H new ATOM 0 HA HIS A 102 9.044 9.560 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.544 10.826 1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.260 11.043 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.336 13.678 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.191 13.491 -2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.713 15.054 -0.483 1.00 0.00 H new ATOM 1378 N ALA A 103 8.079 7.803 2.269 1.00 0.00 N ATOM 1379 CA ALA A 103 8.491 6.768 3.201 1.00 0.00 C ATOM 1380 C ALA A 103 7.260 5.990 3.671 1.00 0.00 C ATOM 1381 O ALA A 103 6.447 6.510 4.433 1.00 0.00 O ATOM 1382 CB ALA A 103 9.258 7.403 4.363 1.00 0.00 C ATOM 0 H ALA A 103 7.084 8.024 2.290 1.00 0.00 H new ATOM 0 HA ALA A 103 9.162 6.060 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.567 6.626 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.139 7.918 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.615 8.118 4.876 1.00 0.00 H new ATOM 1388 N LEU A 104 7.162 4.757 3.196 1.00 0.00 N ATOM 1389 CA LEU A 104 6.044 3.903 3.558 1.00 0.00 C ATOM 1390 C LEU A 104 6.576 2.610 4.180 1.00 0.00 C ATOM 1391 O LEU A 104 7.496 1.993 3.645 1.00 0.00 O ATOM 1392 CB LEU A 104 5.132 3.675 2.351 1.00 0.00 C ATOM 1393 CG LEU A 104 5.252 2.311 1.667 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.392 1.264 2.378 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.916 2.414 0.178 1.00 0.00 C ATOM 0 H LEU A 104 7.838 4.329 2.564 1.00 0.00 H new ATOM 0 HA LEU A 104 5.423 4.387 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.099 3.809 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.340 4.449 1.612 1.00 0.00 H new ATOM 0 HG LEU A 104 6.288 1.981 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.495 0.304 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.720 1.166 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.348 1.575 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.009 1.431 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.895 2.776 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.605 3.108 -0.303 1.00 0.00 H new ATOM 1407 N ALA A 105 5.974 2.238 5.300 1.00 0.00 N ATOM 1408 CA ALA A 105 6.376 1.029 6.000 1.00 0.00 C ATOM 1409 C ALA A 105 5.800 -0.189 5.275 1.00 0.00 C ATOM 1410 O ALA A 105 4.622 -0.507 5.426 1.00 0.00 O ATOM 1411 CB ALA A 105 5.921 1.109 7.458 1.00 0.00 C ATOM 0 H ALA A 105 5.211 2.752 5.740 1.00 0.00 H new ATOM 0 HA ALA A 105 7.461 0.929 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.222 0.203 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.380 1.975 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.836 1.207 7.496 1.00 0.00 H new ATOM 1417 N ILE A 106 6.660 -0.839 4.504 1.00 0.00 N ATOM 1418 CA ILE A 106 6.252 -2.016 3.756 1.00 0.00 C ATOM 1419 C ILE A 106 6.466 -3.263 4.617 1.00 0.00 C ATOM 1420 O ILE A 106 7.585 -3.538 5.049 1.00 0.00 O ATOM 1421 CB ILE A 106 6.971 -2.070 2.407 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.777 -0.766 1.630 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.530 -3.291 1.598 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.422 -0.852 0.245 1.00 0.00 C ATOM 0 H ILE A 106 7.637 -0.573 4.381 1.00 0.00 H new ATOM 0 HA ILE A 106 5.188 -1.968 3.523 1.00 0.00 H new ATOM 0 HB ILE A 106 8.039 -2.178 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.713 -0.555 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.214 0.062 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.057 -3.305 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.763 -4.199 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.456 -3.240 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.270 0.087 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.490 -1.039 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.966 -1.666 -0.319 1.00 0.00 H new ATOM 1436 N GLN A 107 5.377 -3.983 4.841 1.00 0.00 N ATOM 1437 CA GLN A 107 5.432 -5.193 5.643 1.00 0.00 C ATOM 1438 C GLN A 107 5.641 -6.415 4.746 1.00 0.00 C ATOM 1439 O GLN A 107 4.684 -6.948 4.184 1.00 0.00 O ATOM 1440 CB GLN A 107 4.169 -5.346 6.493 1.00 0.00 C ATOM 1441 CG GLN A 107 4.521 -5.701 7.939 1.00 0.00 C ATOM 1442 CD GLN A 107 3.926 -4.683 8.914 1.00 0.00 C ATOM 1443 OE1 GLN A 107 2.990 -5.184 9.715 1.00 0.00 O flip ATOM 1444 NE2 GLN A 107 4.293 -3.520 8.937 1.00 0.00 N flip ATOM 0 H GLN A 107 4.451 -3.752 4.481 1.00 0.00 H new ATOM 0 HA GLN A 107 6.280 -5.116 6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.597 -4.418 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.533 -6.123 6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.146 -6.697 8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.604 -5.732 8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.017 -3.201 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.876 -2.867 9.600 1.00 0.00 H new ATOM 1453 N ALA A 108 6.896 -6.824 4.639 1.00 0.00 N ATOM 1454 CA ALA A 108 7.242 -7.973 3.820 1.00 0.00 C ATOM 1455 C ALA A 108 7.276 -9.227 4.696 1.00 0.00 C ATOM 1456 O ALA A 108 8.180 -9.393 5.514 1.00 0.00 O ATOM 1457 CB ALA A 108 8.577 -7.717 3.117 1.00 0.00 C ATOM 0 H ALA A 108 7.687 -6.380 5.106 1.00 0.00 H new ATOM 0 HA ALA A 108 6.491 -8.131 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.836 -8.579 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.492 -6.833 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.356 -7.556 3.862 1.00 0.00 H new ATOM 1463 N LYS A 109 6.280 -10.078 4.496 1.00 0.00 N ATOM 1464 CA LYS A 109 6.185 -11.311 5.258 1.00 0.00 C ATOM 1465 C LYS A 109 5.877 -12.470 4.307 1.00 0.00 C ATOM 1466 O LYS A 109 5.338 -12.260 3.222 1.00 0.00 O ATOM 1467 CB LYS A 109 5.172 -11.162 6.394 1.00 0.00 C ATOM 1468 CG LYS A 109 5.390 -9.853 7.155 1.00 0.00 C ATOM 1469 CD LYS A 109 5.239 -10.062 8.663 1.00 0.00 C ATOM 1470 CE LYS A 109 5.034 -8.729 9.384 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.425 -8.844 10.807 1.00 0.00 N ATOM 0 H LYS A 109 5.532 -9.938 3.817 1.00 0.00 H new ATOM 0 HA LYS A 109 7.137 -11.536 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.160 -11.187 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.262 -12.005 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.384 -9.463 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.672 -9.107 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.392 -10.720 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.126 -10.559 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.626 -7.952 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.989 -8.426 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.280 -7.930 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.843 -9.571 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.428 -9.112 10.871 1.00 0.00 H new ATOM 1485 N THR A 110 6.232 -13.667 4.750 1.00 0.00 N ATOM 1486 CA THR A 110 6.000 -14.859 3.952 1.00 0.00 C ATOM 1487 C THR A 110 4.645 -15.478 4.299 1.00 0.00 C ATOM 1488 O THR A 110 4.047 -15.139 5.319 1.00 0.00 O ATOM 1489 CB THR A 110 7.177 -15.812 4.172 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.553 -15.592 5.529 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.417 -15.406 3.372 1.00 0.00 C ATOM 0 H THR A 110 6.679 -13.837 5.651 1.00 0.00 H new ATOM 0 HA THR A 110 5.950 -14.620 2.890 1.00 0.00 H new ATOM 0 HB THR A 110 6.881 -16.824 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.401 -16.048 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.222 -16.115 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.180 -15.406 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.733 -14.407 3.673 1.00 0.00 H new ATOM 1499 N PRO A 111 4.187 -16.397 3.407 1.00 0.00 N ATOM 1500 CA PRO A 111 2.913 -17.066 3.609 1.00 0.00 C ATOM 1501 C PRO A 111 3.020 -18.130 4.704 1.00 0.00 C ATOM 1502 O PRO A 111 2.045 -18.818 5.003 1.00 0.00 O ATOM 1503 CB PRO A 111 2.554 -17.646 2.251 1.00 0.00 C ATOM 1504 CG PRO A 111 3.850 -17.682 1.457 1.00 0.00 C ATOM 1505 CD PRO A 111 4.868 -16.823 2.188 1.00 0.00 C ATOM 0 HA PRO A 111 2.133 -16.389 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.130 -18.645 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.806 -17.032 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.212 -18.706 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.689 -17.307 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.772 -17.388 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.171 -15.968 1.584 1.00 0.00 H new ATOM 1513 N ALA A 112 4.212 -18.231 5.273 1.00 0.00 N ATOM 1514 CA ALA A 112 4.459 -19.198 6.328 1.00 0.00 C ATOM 1515 C ALA A 112 4.521 -18.474 7.674 1.00 0.00 C ATOM 1516 O ALA A 112 4.275 -19.075 8.719 1.00 0.00 O ATOM 1517 CB ALA A 112 5.743 -19.972 6.022 1.00 0.00 C ATOM 0 H ALA A 112 5.018 -17.658 5.023 1.00 0.00 H new ATOM 0 HA ALA A 112 3.647 -19.923 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.928 -20.698 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.636 -20.493 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.581 -19.278 5.963 1.00 0.00 H new ATOM 1523 N GLN A 113 4.852 -17.193 7.606 1.00 0.00 N ATOM 1524 CA GLN A 113 4.949 -16.380 8.806 1.00 0.00 C ATOM 1525 C GLN A 113 3.617 -15.680 9.084 1.00 0.00 C ATOM 1526 O GLN A 113 3.168 -15.623 10.227 1.00 0.00 O ATOM 1527 CB GLN A 113 6.088 -15.365 8.690 1.00 0.00 C ATOM 1528 CG GLN A 113 7.450 -16.061 8.739 1.00 0.00 C ATOM 1529 CD GLN A 113 8.230 -15.651 9.990 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.027 -14.591 10.560 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.131 -16.546 10.384 1.00 0.00 N ATOM 0 H GLN A 113 5.056 -16.698 6.738 1.00 0.00 H new ATOM 0 HA GLN A 113 5.174 -17.036 9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.992 -14.811 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.017 -14.639 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.311 -17.142 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.025 -15.807 7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.250 -17.414 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.703 -16.365 11.209 1.00 0.00 H new ATOM 1540 N TRP A 114 3.023 -15.165 8.017 1.00 0.00 N ATOM 1541 CA TRP A 114 1.751 -14.472 8.132 1.00 0.00 C ATOM 1542 C TRP A 114 0.780 -15.386 8.881 1.00 0.00 C ATOM 1543 O TRP A 114 -0.139 -14.910 9.546 1.00 0.00 O ATOM 1544 CB TRP A 114 1.233 -14.047 6.756 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.195 -13.496 6.772 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.341 -14.169 6.599 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.583 -12.122 6.980 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.435 -13.332 6.680 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.960 -12.048 6.919 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.202 -10.979 7.213 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.671 -10.853 7.081 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.524 -9.793 7.372 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.909 -9.702 7.313 1.00 0.00 C ATOM 0 H TRP A 114 3.399 -15.214 7.070 1.00 0.00 H new ATOM 0 HA TRP A 114 1.865 -13.548 8.699 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.900 -13.288 6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.274 -14.904 6.083 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.401 -15.232 6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.413 -13.605 6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.280 -11.013 7.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.749 -10.821 7.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.032 -8.885 7.553 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.396 -8.747 7.446 1.00 0.00 H new ATOM 1564 N ARG A 115 1.015 -16.683 8.747 1.00 0.00 N ATOM 1565 CA ARG A 115 0.172 -17.668 9.403 1.00 0.00 C ATOM 1566 C ARG A 115 0.313 -17.560 10.923 1.00 0.00 C ATOM 1567 O ARG A 115 -0.683 -17.562 11.644 1.00 0.00 O ATOM 1568 CB ARG A 115 0.540 -19.087 8.964 1.00 0.00 C ATOM 1569 CG ARG A 115 0.103 -19.344 7.520 1.00 0.00 C ATOM 1570 CD ARG A 115 0.170 -20.836 7.185 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.997 -21.538 7.764 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.223 -22.852 7.635 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -0.364 -23.615 6.945 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.309 -23.403 8.194 1.00 0.00 N ATOM 0 H ARG A 115 1.777 -17.075 8.194 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.860 -17.466 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.617 -19.232 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.065 -19.811 9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.914 -18.980 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.743 -18.785 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.188 -20.974 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.093 -21.264 7.576 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.672 -20.987 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.462 -23.195 6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.536 -24.616 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.964 -22.822 8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.481 -24.404 8.096 1.00 0.00 H new ATOM 1588 N GLU A 116 1.559 -17.467 11.365 1.00 0.00 N ATOM 1589 CA GLU A 116 1.843 -17.358 12.786 1.00 0.00 C ATOM 1590 C GLU A 116 1.151 -16.126 13.372 1.00 0.00 C ATOM 1591 O GLU A 116 0.425 -16.228 14.360 1.00 0.00 O ATOM 1592 CB GLU A 116 3.351 -17.315 13.042 1.00 0.00 C ATOM 1593 CG GLU A 116 3.889 -18.705 13.387 1.00 0.00 C ATOM 1594 CD GLU A 116 4.992 -18.619 14.443 1.00 0.00 C ATOM 1595 OE1 GLU A 116 6.108 -18.200 14.066 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.695 -18.975 15.604 1.00 0.00 O ATOM 0 H GLU A 116 2.383 -17.465 10.764 1.00 0.00 H new ATOM 0 HA GLU A 116 1.449 -18.243 13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.862 -16.932 12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.565 -16.625 13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.077 -19.332 13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.278 -19.182 12.487 1.00 0.00 H new ATOM 1603 N ASN A 117 1.401 -14.989 12.739 1.00 0.00 N ATOM 1604 CA ASN A 117 0.812 -13.738 13.185 1.00 0.00 C ATOM 1605 C ASN A 117 0.379 -12.920 11.967 1.00 0.00 C ATOM 1606 O ASN A 117 1.090 -12.011 11.541 1.00 0.00 O ATOM 1607 CB ASN A 117 1.821 -12.906 13.979 1.00 0.00 C ATOM 1608 CG ASN A 117 1.131 -11.739 14.689 1.00 0.00 C ATOM 1609 OD1 ASN A 117 -0.033 -11.798 15.049 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.913 -10.678 14.868 1.00 0.00 N ATOM 0 H ASN A 117 2.004 -14.908 11.920 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.040 -13.975 13.822 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.322 -13.538 14.713 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.591 -12.524 13.308 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.546 -9.847 15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.879 -10.696 14.542 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.816 -13.281 11.427 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.352 -12.590 10.266 1.00 0.00 C ATOM 1619 C PRO A 118 -1.902 -11.215 10.652 1.00 0.00 C ATOM 1620 O PRO A 118 -2.364 -10.464 9.794 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.417 -13.521 9.711 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.762 -14.480 10.840 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.685 -14.352 11.905 1.00 0.00 C ATOM 0 HA PRO A 118 -0.592 -12.382 9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.296 -12.962 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.048 -14.061 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.741 -14.243 11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.813 -15.504 10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.116 -14.109 12.876 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.134 -15.285 12.025 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.834 -10.927 11.943 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.320 -9.656 12.453 1.00 0.00 C ATOM 1633 C GLN A 119 -1.264 -8.567 12.256 1.00 0.00 C ATOM 1634 O GLN A 119 -0.165 -8.656 12.802 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.719 -9.772 13.926 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.792 -10.846 14.120 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.200 -10.954 15.590 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -4.245 -9.978 16.322 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.493 -12.191 15.981 1.00 0.00 N ATOM 0 H GLN A 119 -1.450 -11.552 12.652 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.211 -9.378 11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.842 -10.016 14.526 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -3.092 -8.812 14.282 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.665 -10.606 13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.416 -11.808 13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.435 -12.963 15.317 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -4.776 -12.368 16.945 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.633 -7.564 11.473 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.731 -6.459 11.197 1.00 0.00 C ATOM 1650 C LEU A 120 -0.806 -5.446 12.342 1.00 0.00 C ATOM 1651 O LEU A 120 -1.586 -5.619 13.278 1.00 0.00 O ATOM 1652 CB LEU A 120 -1.028 -5.855 9.823 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.705 -6.741 8.618 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.527 -6.326 7.396 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.797 -6.741 8.325 1.00 0.00 C ATOM 0 H LEU A 120 -2.545 -7.493 11.021 1.00 0.00 H new ATOM 0 HA LEU A 120 0.299 -6.812 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.085 -5.593 9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.466 -4.926 9.727 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.986 -7.765 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.278 -6.972 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.589 -6.419 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.300 -5.291 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.000 -7.378 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.126 -5.724 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.337 -7.120 9.193 1.00 0.00 H new