USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=9 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=-0.000283 K(o=-0.00028,f=-1.1) USER MOD Single : A 45 SER OG : rot 53:sc= 0.0403 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.228 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= -1.78! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 149:sc= -0.0807 (180deg=-0.0861) USER MOD Single : A 81 SER OG : rot 180:sc= -0.341 USER MOD Single : A 84 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.87) USER MOD Single : A 86 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.36) USER MOD Single : A 90 HIS : no HE2:sc= -7.07! C(o=-7.1!,f=-5.8!) USER MOD Single : A 94 SER OG : rot 54:sc= 0.737 USER MOD Single : A 102 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.19) USER MOD Single : A 107 GLN : amide:sc= -0.0529 K(o=-0.053,f=-1.1) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -145:sc= -1.08 USER MOD Single : A 113 GLN : amide:sc=-0.00949 X(o=-0.0095,f=-0.0063) USER MOD Single : A 117 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.14) USER MOD Single : A 119 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.103 6.367 -6.221 1.00 0.00 N ATOM 302 CA VAL A 32 -1.712 6.034 -5.971 1.00 0.00 C ATOM 303 C VAL A 32 -1.641 4.773 -5.107 1.00 0.00 C ATOM 304 O VAL A 32 -1.105 3.752 -5.535 1.00 0.00 O ATOM 305 CB VAL A 32 -0.992 7.229 -5.343 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.429 6.852 -4.918 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.980 8.425 -6.298 1.00 0.00 C ATOM 0 HA VAL A 32 -1.198 5.817 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.543 7.520 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.918 7.719 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.388 6.045 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.994 6.523 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.462 9.261 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.464 8.151 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.005 8.716 -6.529 1.00 0.00 H new ATOM 317 N GLU A 33 -2.190 4.885 -3.906 1.00 0.00 N ATOM 318 CA GLU A 33 -2.196 3.767 -2.978 1.00 0.00 C ATOM 319 C GLU A 33 -2.779 2.523 -3.651 1.00 0.00 C ATOM 320 O GLU A 33 -2.110 1.495 -3.751 1.00 0.00 O ATOM 321 CB GLU A 33 -2.969 4.115 -1.705 1.00 0.00 C ATOM 322 CG GLU A 33 -3.060 2.906 -0.771 1.00 0.00 C ATOM 323 CD GLU A 33 -4.395 2.891 -0.024 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.602 3.818 0.788 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.178 1.951 -0.281 1.00 0.00 O ATOM 0 H GLU A 33 -2.634 5.733 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.167 3.553 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.477 4.940 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.972 4.454 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.951 1.987 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.239 2.932 -0.055 1.00 0.00 H new ATOM 332 N ALA A 34 -4.020 2.656 -4.095 1.00 0.00 N ATOM 333 CA ALA A 34 -4.701 1.555 -4.755 1.00 0.00 C ATOM 334 C ALA A 34 -3.737 0.876 -5.730 1.00 0.00 C ATOM 335 O ALA A 34 -3.681 -0.351 -5.800 1.00 0.00 O ATOM 336 CB ALA A 34 -5.961 2.076 -5.449 1.00 0.00 C ATOM 0 H ALA A 34 -4.572 3.510 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.015 0.807 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.472 1.250 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.626 2.522 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.685 2.827 -6.189 1.00 0.00 H new ATOM 342 N ALA A 35 -3.001 1.703 -6.457 1.00 0.00 N ATOM 343 CA ALA A 35 -2.042 1.198 -7.425 1.00 0.00 C ATOM 344 C ALA A 35 -0.957 0.403 -6.694 1.00 0.00 C ATOM 345 O ALA A 35 -0.735 -0.769 -6.992 1.00 0.00 O ATOM 346 CB ALA A 35 -1.467 2.364 -8.231 1.00 0.00 C ATOM 0 H ALA A 35 -3.049 2.720 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.527 0.523 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.748 1.985 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.274 2.878 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.969 3.061 -7.557 1.00 0.00 H new ATOM 352 N ILE A 36 -0.311 1.074 -5.752 1.00 0.00 N ATOM 353 CA ILE A 36 0.745 0.446 -4.977 1.00 0.00 C ATOM 354 C ILE A 36 0.346 -0.996 -4.654 1.00 0.00 C ATOM 355 O ILE A 36 1.202 -1.875 -4.563 1.00 0.00 O ATOM 356 CB ILE A 36 1.074 1.284 -3.740 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.617 2.659 -4.138 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.031 0.537 -2.809 1.00 0.00 C ATOM 359 CD1 ILE A 36 2.039 3.459 -2.904 1.00 0.00 C ATOM 0 H ILE A 36 -0.499 2.046 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 36 1.667 0.401 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 36 0.151 1.450 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.469 2.538 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.855 3.209 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.248 1.155 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.570 -0.396 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.958 0.319 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.421 4.432 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.179 3.599 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.818 2.917 -2.368 1.00 0.00 H new ATOM 371 N ARG A 37 -0.953 -1.194 -4.490 1.00 0.00 N ATOM 372 CA ARG A 37 -1.476 -2.513 -4.180 1.00 0.00 C ATOM 373 C ARG A 37 -1.728 -3.301 -5.467 1.00 0.00 C ATOM 374 O ARG A 37 -1.039 -4.281 -5.745 1.00 0.00 O ATOM 375 CB ARG A 37 -2.780 -2.416 -3.386 1.00 0.00 C ATOM 376 CG ARG A 37 -3.175 -3.778 -2.811 1.00 0.00 C ATOM 377 CD ARG A 37 -4.572 -4.188 -3.282 1.00 0.00 C ATOM 378 NE ARG A 37 -5.273 -4.924 -2.207 1.00 0.00 N ATOM 379 CZ ARG A 37 -5.867 -4.337 -1.159 1.00 0.00 C ATOM 380 NH1 ARG A 37 -5.849 -3.003 -1.039 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.480 -5.085 -0.231 1.00 0.00 N ATOM 0 H ARG A 37 -1.660 -0.462 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.732 -3.030 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.664 -1.695 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.576 -2.045 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.449 -4.531 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.152 -3.738 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.145 -3.304 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.496 -4.813 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.306 -5.942 -2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.383 -2.434 -1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.301 -2.557 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.494 -6.101 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.932 -4.638 0.567 1.00 0.00 H new ATOM 395 N ALA A 38 -2.718 -2.843 -6.219 1.00 0.00 N ATOM 396 CA ALA A 38 -3.070 -3.492 -7.470 1.00 0.00 C ATOM 397 C ALA A 38 -1.791 -3.876 -8.218 1.00 0.00 C ATOM 398 O ALA A 38 -1.772 -4.858 -8.959 1.00 0.00 O ATOM 399 CB ALA A 38 -3.969 -2.566 -8.291 1.00 0.00 C ATOM 0 H ALA A 38 -3.288 -2.030 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.630 -4.408 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.233 -3.053 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.876 -2.347 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.439 -1.637 -8.501 1.00 0.00 H new ATOM 405 N LYS A 39 -0.754 -3.082 -7.997 1.00 0.00 N ATOM 406 CA LYS A 39 0.526 -3.326 -8.641 1.00 0.00 C ATOM 407 C LYS A 39 1.142 -4.605 -8.071 1.00 0.00 C ATOM 408 O LYS A 39 1.229 -5.618 -8.764 1.00 0.00 O ATOM 409 CB LYS A 39 1.431 -2.099 -8.516 1.00 0.00 C ATOM 410 CG LYS A 39 0.929 -0.955 -9.399 1.00 0.00 C ATOM 411 CD LYS A 39 1.693 -0.910 -10.724 1.00 0.00 C ATOM 412 CE LYS A 39 0.955 -0.053 -11.754 1.00 0.00 C ATOM 413 NZ LYS A 39 0.527 -0.880 -12.905 1.00 0.00 N ATOM 0 H LYS A 39 -0.774 -2.269 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 39 0.391 -3.486 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.466 -1.773 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.449 -2.363 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.136 -1.081 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.047 -0.007 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.692 -0.506 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.818 -1.922 -11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.086 0.414 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.604 0.752 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.028 -0.283 -13.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.362 -1.306 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.110 -1.633 -12.574 1.00 0.00 H new ATOM 427 N LEU A 40 1.553 -4.518 -6.815 1.00 0.00 N ATOM 428 CA LEU A 40 2.159 -5.656 -6.145 1.00 0.00 C ATOM 429 C LEU A 40 1.279 -6.891 -6.350 1.00 0.00 C ATOM 430 O LEU A 40 1.766 -8.019 -6.301 1.00 0.00 O ATOM 431 CB LEU A 40 2.428 -5.331 -4.674 1.00 0.00 C ATOM 432 CG LEU A 40 3.425 -4.201 -4.408 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.585 -3.952 -2.907 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.767 -4.483 -5.088 1.00 0.00 C ATOM 0 H LEU A 40 1.478 -3.677 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 40 3.132 -5.881 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.481 -5.072 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.793 -6.234 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 40 3.028 -3.285 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.299 -3.144 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.621 -3.675 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.949 -4.859 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.458 -3.665 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.182 -5.414 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.618 -4.572 -6.164 1.00 0.00 H new ATOM 446 N GLU A 41 -0.001 -6.635 -6.577 1.00 0.00 N ATOM 447 CA GLU A 41 -0.953 -7.712 -6.791 1.00 0.00 C ATOM 448 C GLU A 41 -0.587 -8.502 -8.049 1.00 0.00 C ATOM 449 O GLU A 41 -0.653 -9.730 -8.055 1.00 0.00 O ATOM 450 CB GLU A 41 -2.381 -7.171 -6.879 1.00 0.00 C ATOM 451 CG GLU A 41 -3.045 -7.149 -5.501 1.00 0.00 C ATOM 452 CD GLU A 41 -4.555 -6.935 -5.624 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.954 -6.243 -6.585 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.277 -7.468 -4.753 1.00 0.00 O ATOM 0 H GLU A 41 -0.401 -5.698 -6.617 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.907 -8.387 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.367 -6.164 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.967 -7.790 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.848 -8.088 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.609 -6.354 -4.896 1.00 0.00 H new ATOM 461 N GLN A 42 -0.208 -7.765 -9.083 1.00 0.00 N ATOM 462 CA GLN A 42 0.168 -8.382 -10.343 1.00 0.00 C ATOM 463 C GLN A 42 1.688 -8.355 -10.514 1.00 0.00 C ATOM 464 O GLN A 42 2.217 -8.888 -11.489 1.00 0.00 O ATOM 465 CB GLN A 42 -0.528 -7.694 -11.520 1.00 0.00 C ATOM 466 CG GLN A 42 -0.121 -6.222 -11.614 1.00 0.00 C ATOM 467 CD GLN A 42 -0.686 -5.577 -12.881 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.043 -6.241 -13.840 1.00 0.00 O ATOM 469 NE2 GLN A 42 -0.746 -4.249 -12.831 1.00 0.00 N ATOM 0 H GLN A 42 -0.153 -6.747 -9.074 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.158 -9.422 -10.328 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.272 -8.206 -12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.609 -7.769 -11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.481 -5.685 -10.737 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.966 -6.141 -11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.430 -3.755 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.108 -3.724 -13.627 1.00 0.00 H new ATOM 478 N ALA A 43 2.349 -7.728 -9.552 1.00 0.00 N ATOM 479 CA ALA A 43 3.798 -7.625 -9.583 1.00 0.00 C ATOM 480 C ALA A 43 4.398 -8.630 -8.598 1.00 0.00 C ATOM 481 O ALA A 43 5.609 -8.844 -8.585 1.00 0.00 O ATOM 482 CB ALA A 43 4.214 -6.185 -9.274 1.00 0.00 C ATOM 0 H ALA A 43 1.907 -7.286 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 43 4.179 -7.869 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.301 -6.107 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.786 -5.515 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.851 -5.906 -8.285 1.00 0.00 H new ATOM 488 N LEU A 44 3.523 -9.220 -7.797 1.00 0.00 N ATOM 489 CA LEU A 44 3.952 -10.197 -6.811 1.00 0.00 C ATOM 490 C LEU A 44 2.872 -11.270 -6.660 1.00 0.00 C ATOM 491 O LEU A 44 3.174 -12.463 -6.651 1.00 0.00 O ATOM 492 CB LEU A 44 4.319 -9.506 -5.496 1.00 0.00 C ATOM 493 CG LEU A 44 5.494 -8.528 -5.558 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.542 -7.649 -4.307 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.813 -9.268 -5.789 1.00 0.00 C ATOM 0 H LEU A 44 2.519 -9.040 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 44 4.859 -10.701 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.443 -8.968 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.549 -10.273 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 44 5.343 -7.867 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.386 -6.963 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.617 -7.079 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.657 -8.278 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.631 -8.549 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.985 -9.969 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.764 -9.814 -6.731 1.00 0.00 H new ATOM 507 N SER A 45 1.635 -10.809 -6.547 1.00 0.00 N ATOM 508 CA SER A 45 0.509 -11.715 -6.397 1.00 0.00 C ATOM 509 C SER A 45 0.660 -12.529 -5.111 1.00 0.00 C ATOM 510 O SER A 45 0.700 -13.758 -5.151 1.00 0.00 O ATOM 511 CB SER A 45 0.388 -12.647 -7.604 1.00 0.00 C ATOM 512 OG SER A 45 -0.963 -12.794 -8.032 1.00 0.00 O ATOM 0 H SER A 45 1.388 -9.819 -6.556 1.00 0.00 H new ATOM 0 HA SER A 45 -0.403 -11.121 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.988 -12.256 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.796 -13.625 -7.349 1.00 0.00 H new ATOM 0 HG SER A 45 -1.359 -11.909 -8.176 1.00 0.00 H new ATOM 518 N PRO A 46 0.740 -11.792 -3.970 1.00 0.00 N ATOM 519 CA PRO A 46 0.886 -12.433 -2.674 1.00 0.00 C ATOM 520 C PRO A 46 -0.436 -13.056 -2.220 1.00 0.00 C ATOM 521 O PRO A 46 -1.435 -12.991 -2.934 1.00 0.00 O ATOM 522 CB PRO A 46 1.375 -11.335 -1.745 1.00 0.00 C ATOM 523 CG PRO A 46 1.043 -10.023 -2.438 1.00 0.00 C ATOM 524 CD PRO A 46 0.696 -10.336 -3.885 1.00 0.00 C ATOM 0 HA PRO A 46 1.591 -13.264 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.885 -11.398 -0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.447 -11.422 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.206 -9.530 -1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.890 -9.339 -2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.291 -9.954 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.408 -9.878 -4.571 1.00 0.00 H new ATOM 532 N GLU A 47 -0.398 -13.646 -1.033 1.00 0.00 N ATOM 533 CA GLU A 47 -1.580 -14.280 -0.475 1.00 0.00 C ATOM 534 C GLU A 47 -2.390 -13.269 0.340 1.00 0.00 C ATOM 535 O GLU A 47 -3.580 -13.468 0.576 1.00 0.00 O ATOM 536 CB GLU A 47 -1.201 -15.493 0.377 1.00 0.00 C ATOM 537 CG GLU A 47 -0.437 -16.528 -0.452 1.00 0.00 C ATOM 538 CD GLU A 47 -1.337 -17.711 -0.815 1.00 0.00 C ATOM 539 OE1 GLU A 47 -1.783 -18.396 0.130 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.558 -17.904 -2.030 1.00 0.00 O ATOM 0 H GLU A 47 0.433 -13.698 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.201 -14.635 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.588 -15.173 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.101 -15.946 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.057 -16.062 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.427 -16.883 0.109 1.00 0.00 H new ATOM 547 N VAL A 48 -1.711 -12.206 0.747 1.00 0.00 N ATOM 548 CA VAL A 48 -2.353 -11.164 1.530 1.00 0.00 C ATOM 549 C VAL A 48 -1.677 -9.823 1.238 1.00 0.00 C ATOM 550 O VAL A 48 -0.551 -9.583 1.671 1.00 0.00 O ATOM 551 CB VAL A 48 -2.328 -11.535 3.015 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.185 -10.569 3.835 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.778 -12.982 3.226 1.00 0.00 C ATOM 0 H VAL A 48 -0.724 -12.044 0.549 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.402 -11.067 1.250 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.299 -11.450 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.150 -10.855 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.801 -9.555 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.216 -10.608 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.751 -13.220 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.794 -13.105 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.109 -13.653 2.687 1.00 0.00 H new ATOM 563 N LEU A 49 -2.393 -8.984 0.504 1.00 0.00 N ATOM 564 CA LEU A 49 -1.877 -7.673 0.148 1.00 0.00 C ATOM 565 C LEU A 49 -2.750 -6.594 0.791 1.00 0.00 C ATOM 566 O LEU A 49 -3.724 -6.140 0.192 1.00 0.00 O ATOM 567 CB LEU A 49 -1.753 -7.540 -1.371 1.00 0.00 C ATOM 568 CG LEU A 49 -0.415 -7.012 -1.892 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.298 -7.209 -3.404 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.206 -5.552 -1.486 1.00 0.00 C ATOM 0 H LEU A 49 -3.326 -9.187 0.146 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.868 -7.542 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.933 -8.518 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.544 -6.878 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 49 0.384 -7.592 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.662 -6.825 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.369 -8.271 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.104 -6.672 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.752 -5.201 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.008 -4.941 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.214 -5.472 -0.399 1.00 0.00 H new ATOM 582 N GLU A 50 -2.371 -6.214 2.002 1.00 0.00 N ATOM 583 CA GLU A 50 -3.107 -5.197 2.733 1.00 0.00 C ATOM 584 C GLU A 50 -2.395 -3.847 2.627 1.00 0.00 C ATOM 585 O GLU A 50 -1.203 -3.746 2.911 1.00 0.00 O ATOM 586 CB GLU A 50 -3.299 -5.602 4.195 1.00 0.00 C ATOM 587 CG GLU A 50 -4.403 -6.653 4.333 1.00 0.00 C ATOM 588 CD GLU A 50 -5.741 -5.999 4.685 1.00 0.00 C ATOM 589 OE1 GLU A 50 -5.754 -5.229 5.670 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.719 -6.284 3.962 1.00 0.00 O ATOM 0 H GLU A 50 -1.563 -6.593 2.496 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.096 -5.101 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.364 -5.997 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.552 -4.724 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.500 -7.209 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.131 -7.372 5.106 1.00 0.00 H new ATOM 597 N LEU A 51 -3.156 -2.843 2.216 1.00 0.00 N ATOM 598 CA LEU A 51 -2.613 -1.503 2.069 1.00 0.00 C ATOM 599 C LEU A 51 -3.645 -0.483 2.553 1.00 0.00 C ATOM 600 O LEU A 51 -4.829 -0.596 2.241 1.00 0.00 O ATOM 601 CB LEU A 51 -2.144 -1.270 0.631 1.00 0.00 C ATOM 602 CG LEU A 51 -1.794 0.174 0.266 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.938 0.823 1.356 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.123 0.245 -1.107 1.00 0.00 C ATOM 0 H LEU A 51 -4.144 -2.931 1.980 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.727 -1.380 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.268 -1.892 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.925 -1.616 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.721 0.744 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.703 1.849 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.487 0.824 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.013 0.259 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.885 1.282 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.206 -0.344 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.800 -0.152 -1.864 1.00 0.00 H new ATOM 616 N ARG A 52 -3.158 0.492 3.307 1.00 0.00 N ATOM 617 CA ARG A 52 -4.024 1.532 3.837 1.00 0.00 C ATOM 618 C ARG A 52 -3.280 2.868 3.885 1.00 0.00 C ATOM 619 O ARG A 52 -2.091 2.932 3.578 1.00 0.00 O ATOM 620 CB ARG A 52 -4.512 1.178 5.243 1.00 0.00 C ATOM 621 CG ARG A 52 -5.420 -0.053 5.215 1.00 0.00 C ATOM 622 CD ARG A 52 -6.709 0.233 4.441 1.00 0.00 C ATOM 623 NE ARG A 52 -7.632 -0.918 4.550 1.00 0.00 N ATOM 624 CZ ARG A 52 -8.701 -1.101 3.764 1.00 0.00 C ATOM 625 NH1 ARG A 52 -8.990 -0.208 2.807 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.483 -2.176 3.935 1.00 0.00 N ATOM 0 H ARG A 52 -2.175 0.584 3.563 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.886 1.615 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.657 0.989 5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.053 2.024 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.892 -0.888 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.663 -0.353 6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.187 1.131 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.478 0.426 3.393 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.442 -1.616 5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.396 0.611 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.804 -0.347 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.264 -2.855 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.297 -2.315 3.336 1.00 0.00 H new ATOM 794 N THR A 66 2.224 10.655 2.127 1.00 0.00 N ATOM 795 CA THR A 66 3.611 10.226 2.069 1.00 0.00 C ATOM 796 C THR A 66 3.824 8.990 2.945 1.00 0.00 C ATOM 797 O THR A 66 4.256 7.946 2.458 1.00 0.00 O ATOM 798 CB THR A 66 4.490 11.413 2.468 1.00 0.00 C ATOM 799 OG1 THR A 66 4.219 11.594 3.855 1.00 0.00 O ATOM 800 CG2 THR A 66 4.031 12.723 1.825 1.00 0.00 C ATOM 0 HA THR A 66 3.889 9.922 1.060 1.00 0.00 H new ATOM 0 HB THR A 66 5.523 11.212 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.749 12.344 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.688 13.533 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.068 12.628 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.010 12.942 2.136 1.00 0.00 H new ATOM 808 N HIS A 67 3.511 9.149 4.223 1.00 0.00 N ATOM 809 CA HIS A 67 3.662 8.059 5.172 1.00 0.00 C ATOM 810 C HIS A 67 2.570 7.014 4.932 1.00 0.00 C ATOM 811 O HIS A 67 1.443 7.171 5.400 1.00 0.00 O ATOM 812 CB HIS A 67 3.674 8.586 6.608 1.00 0.00 C ATOM 813 CG HIS A 67 4.708 7.933 7.494 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.445 6.799 8.243 1.00 0.00 N ATOM 815 CD2 HIS A 67 6.007 8.266 7.742 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.543 6.474 8.908 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.510 7.384 8.597 1.00 0.00 N ATOM 0 H HIS A 67 3.153 10.016 4.623 1.00 0.00 H new ATOM 0 HA HIS A 67 4.624 7.570 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.854 9.661 6.588 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.688 8.436 7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.537 9.105 7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.653 5.635 9.579 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.463 7.386 8.961 1.00 0.00 H new ATOM 825 N PHE A 68 2.943 5.972 4.205 1.00 0.00 N ATOM 826 CA PHE A 68 2.009 4.901 3.898 1.00 0.00 C ATOM 827 C PHE A 68 2.449 3.587 4.546 1.00 0.00 C ATOM 828 O PHE A 68 3.599 3.449 4.958 1.00 0.00 O ATOM 829 CB PHE A 68 2.008 4.731 2.377 1.00 0.00 C ATOM 830 CG PHE A 68 0.842 5.428 1.674 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.423 4.948 1.815 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.070 6.528 0.907 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.505 5.595 1.162 1.00 0.00 C ATOM 834 CE2 PHE A 68 -0.013 7.175 0.254 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.277 6.695 0.396 1.00 0.00 C ATOM 0 H PHE A 68 3.879 5.846 3.819 1.00 0.00 H new ATOM 0 HA PHE A 68 1.019 5.150 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.945 5.120 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.978 3.667 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.604 4.075 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.074 6.909 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.509 5.213 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.168 8.048 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.100 7.188 -0.100 1.00 0.00 H new ATOM 845 N ARG A 69 1.510 2.655 4.615 1.00 0.00 N ATOM 846 CA ARG A 69 1.786 1.357 5.206 1.00 0.00 C ATOM 847 C ARG A 69 1.175 0.244 4.352 1.00 0.00 C ATOM 848 O ARG A 69 -0.035 0.221 4.129 1.00 0.00 O ATOM 849 CB ARG A 69 1.225 1.267 6.626 1.00 0.00 C ATOM 850 CG ARG A 69 2.258 0.678 7.588 1.00 0.00 C ATOM 851 CD ARG A 69 2.274 1.444 8.913 1.00 0.00 C ATOM 852 NE ARG A 69 3.642 1.451 9.477 1.00 0.00 N ATOM 853 CZ ARG A 69 4.218 0.393 10.065 1.00 0.00 C ATOM 854 NH1 ARG A 69 3.547 -0.762 10.169 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.463 0.491 10.549 1.00 0.00 N ATOM 0 H ARG A 69 0.557 2.773 4.271 1.00 0.00 H new ATOM 0 HA ARG A 69 2.868 1.236 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.929 2.259 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.327 0.649 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.030 -0.372 7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.247 0.714 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.932 2.467 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.583 0.982 9.618 1.00 0.00 H new ATOM 0 HE ARG A 69 4.180 2.315 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.599 -0.836 9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.985 -1.568 10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.973 1.371 10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.901 -0.314 10.996 1.00 0.00 H new ATOM 869 N VAL A 70 2.038 -0.652 3.898 1.00 0.00 N ATOM 870 CA VAL A 70 1.598 -1.765 3.074 1.00 0.00 C ATOM 871 C VAL A 70 1.982 -3.080 3.754 1.00 0.00 C ATOM 872 O VAL A 70 2.958 -3.136 4.500 1.00 0.00 O ATOM 873 CB VAL A 70 2.174 -1.631 1.663 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.466 -2.439 1.519 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.146 -2.047 0.609 1.00 0.00 C ATOM 0 H VAL A 70 3.040 -0.630 4.085 1.00 0.00 H new ATOM 0 HA VAL A 70 0.513 -1.758 2.970 1.00 0.00 H new ATOM 0 HB VAL A 70 2.416 -0.581 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.855 -2.327 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.204 -2.075 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.260 -3.492 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.581 -1.942 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.858 -3.086 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.265 -1.410 0.688 1.00 0.00 H new ATOM 885 N ALA A 71 1.194 -4.107 3.471 1.00 0.00 N ATOM 886 CA ALA A 71 1.439 -5.419 4.046 1.00 0.00 C ATOM 887 C ALA A 71 1.327 -6.481 2.950 1.00 0.00 C ATOM 888 O ALA A 71 0.224 -6.883 2.581 1.00 0.00 O ATOM 889 CB ALA A 71 0.461 -5.663 5.197 1.00 0.00 C ATOM 0 H ALA A 71 0.385 -4.057 2.851 1.00 0.00 H new ATOM 0 HA ALA A 71 2.447 -5.475 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.645 -6.647 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.602 -4.900 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.561 -5.616 4.822 1.00 0.00 H new ATOM 895 N VAL A 72 2.483 -6.904 2.460 1.00 0.00 N ATOM 896 CA VAL A 72 2.528 -7.911 1.413 1.00 0.00 C ATOM 897 C VAL A 72 2.817 -9.277 2.039 1.00 0.00 C ATOM 898 O VAL A 72 3.605 -9.380 2.977 1.00 0.00 O ATOM 899 CB VAL A 72 3.551 -7.513 0.348 1.00 0.00 C ATOM 900 CG1 VAL A 72 4.961 -7.451 0.938 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.498 -8.467 -0.847 1.00 0.00 C ATOM 0 H VAL A 72 3.395 -6.568 2.768 1.00 0.00 H new ATOM 0 HA VAL A 72 1.565 -7.981 0.908 1.00 0.00 H new ATOM 0 HB VAL A 72 3.293 -6.516 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.669 -7.166 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.988 -6.714 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.233 -8.429 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.235 -8.161 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.718 -9.481 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.503 -8.439 -1.291 1.00 0.00 H new ATOM 911 N VAL A 73 2.162 -10.292 1.493 1.00 0.00 N ATOM 912 CA VAL A 73 2.339 -11.648 1.986 1.00 0.00 C ATOM 913 C VAL A 73 2.586 -12.587 0.804 1.00 0.00 C ATOM 914 O VAL A 73 1.647 -13.165 0.258 1.00 0.00 O ATOM 915 CB VAL A 73 1.133 -12.058 2.833 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.251 -13.514 3.287 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.961 -11.123 4.032 1.00 0.00 C ATOM 0 H VAL A 73 1.509 -10.203 0.715 1.00 0.00 H new ATOM 0 HA VAL A 73 3.212 -11.707 2.637 1.00 0.00 H new ATOM 0 HB VAL A 73 0.243 -11.972 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.381 -13.780 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.302 -14.164 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.155 -13.637 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.097 -11.437 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.855 -11.162 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.809 -10.103 3.679 1.00 0.00 H new ATOM 927 N SER A 74 3.855 -12.711 0.443 1.00 0.00 N ATOM 928 CA SER A 74 4.238 -13.570 -0.664 1.00 0.00 C ATOM 929 C SER A 74 5.457 -14.410 -0.278 1.00 0.00 C ATOM 930 O SER A 74 6.154 -14.093 0.685 1.00 0.00 O ATOM 931 CB SER A 74 4.535 -12.750 -1.921 1.00 0.00 C ATOM 932 OG SER A 74 3.688 -13.112 -3.008 1.00 0.00 O ATOM 0 H SER A 74 4.631 -12.230 0.898 1.00 0.00 H new ATOM 0 HA SER A 74 3.403 -14.234 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.408 -11.690 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.576 -12.893 -2.210 1.00 0.00 H new ATOM 0 HG SER A 74 3.908 -12.565 -3.791 1.00 0.00 H new ATOM 938 N SER A 75 5.677 -15.465 -1.048 1.00 0.00 N ATOM 939 CA SER A 75 6.800 -16.353 -0.799 1.00 0.00 C ATOM 940 C SER A 75 8.074 -15.771 -1.413 1.00 0.00 C ATOM 941 O SER A 75 9.170 -16.277 -1.175 1.00 0.00 O ATOM 942 CB SER A 75 6.532 -17.751 -1.358 1.00 0.00 C ATOM 943 OG SER A 75 6.199 -17.717 -2.743 1.00 0.00 O ATOM 0 H SER A 75 5.096 -15.725 -1.845 1.00 0.00 H new ATOM 0 HA SER A 75 6.932 -16.442 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.414 -18.375 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.718 -18.214 -0.801 1.00 0.00 H new ATOM 0 HG SER A 75 6.037 -18.629 -3.063 1.00 0.00 H new ATOM 949 N ARG A 76 7.888 -14.715 -2.192 1.00 0.00 N ATOM 950 CA ARG A 76 9.009 -14.058 -2.843 1.00 0.00 C ATOM 951 C ARG A 76 10.108 -13.749 -1.824 1.00 0.00 C ATOM 952 O ARG A 76 11.293 -13.897 -2.119 1.00 0.00 O ATOM 953 CB ARG A 76 8.570 -12.758 -3.519 1.00 0.00 C ATOM 954 CG ARG A 76 7.863 -13.042 -4.846 1.00 0.00 C ATOM 955 CD ARG A 76 8.807 -12.816 -6.029 1.00 0.00 C ATOM 956 NE ARG A 76 10.080 -13.536 -5.805 1.00 0.00 N ATOM 957 CZ ARG A 76 10.898 -13.940 -6.787 1.00 0.00 C ATOM 958 NH1 ARG A 76 10.580 -13.697 -8.066 1.00 0.00 N ATOM 959 NH2 ARG A 76 12.033 -14.588 -6.490 1.00 0.00 N ATOM 0 H ARG A 76 6.978 -14.298 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 76 9.394 -14.737 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.901 -12.207 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.439 -12.124 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.501 -14.070 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.991 -12.395 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.339 -13.165 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.999 -11.750 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 76 10.352 -13.738 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.716 -13.205 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.202 -14.004 -8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.274 -14.774 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.655 -14.895 -7.237 1.00 0.00 H new ATOM 973 N PHE A 77 9.675 -13.325 -0.645 1.00 0.00 N ATOM 974 CA PHE A 77 10.607 -12.994 0.419 1.00 0.00 C ATOM 975 C PHE A 77 10.845 -14.197 1.334 1.00 0.00 C ATOM 976 O PHE A 77 10.872 -14.057 2.556 1.00 0.00 O ATOM 977 CB PHE A 77 9.972 -11.866 1.235 1.00 0.00 C ATOM 978 CG PHE A 77 9.211 -10.841 0.391 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.864 -10.127 -0.564 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.881 -10.645 0.597 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.157 -9.175 -1.346 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.174 -9.693 -0.185 1.00 0.00 C ATOM 983 CZ PHE A 77 7.827 -8.979 -1.140 1.00 0.00 C ATOM 0 H PHE A 77 8.691 -13.203 -0.404 1.00 0.00 H new ATOM 0 HA PHE A 77 11.567 -12.699 -0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.289 -12.300 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.753 -11.352 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.920 -10.284 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.362 -11.213 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.676 -8.607 -2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.118 -9.536 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.289 -8.256 -1.735 1.00 0.00 H new ATOM 993 N GLU A 78 11.011 -15.353 0.707 1.00 0.00 N ATOM 994 CA GLU A 78 11.246 -16.580 1.450 1.00 0.00 C ATOM 995 C GLU A 78 12.722 -16.694 1.833 1.00 0.00 C ATOM 996 O GLU A 78 13.515 -17.281 1.098 1.00 0.00 O ATOM 997 CB GLU A 78 10.791 -17.801 0.648 1.00 0.00 C ATOM 998 CG GLU A 78 9.399 -18.259 1.088 1.00 0.00 C ATOM 999 CD GLU A 78 9.300 -19.786 1.089 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.291 -20.419 1.511 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.234 -20.285 0.669 1.00 0.00 O ATOM 0 H GLU A 78 10.987 -15.466 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 78 10.655 -16.547 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.779 -17.559 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.504 -18.614 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.185 -17.876 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.646 -17.842 0.418 1.00 0.00 H new ATOM 1008 N GLY A 79 13.048 -16.123 2.984 1.00 0.00 N ATOM 1009 CA GLY A 79 14.416 -16.153 3.474 1.00 0.00 C ATOM 1010 C GLY A 79 15.264 -15.074 2.798 1.00 0.00 C ATOM 1011 O GLY A 79 16.472 -15.240 2.636 1.00 0.00 O ATOM 0 H GLY A 79 12.388 -15.637 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.423 -16.003 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.852 -17.134 3.286 1.00 0.00 H new ATOM 1015 N MET A 80 14.598 -13.992 2.422 1.00 0.00 N ATOM 1016 CA MET A 80 15.276 -12.886 1.768 1.00 0.00 C ATOM 1017 C MET A 80 15.690 -11.819 2.783 1.00 0.00 C ATOM 1018 O MET A 80 15.128 -11.744 3.874 1.00 0.00 O ATOM 1019 CB MET A 80 14.347 -12.264 0.723 1.00 0.00 C ATOM 1020 CG MET A 80 14.570 -12.894 -0.653 1.00 0.00 C ATOM 1021 SD MET A 80 15.152 -11.660 -1.803 1.00 0.00 S ATOM 1022 CE MET A 80 13.642 -11.331 -2.697 1.00 0.00 C ATOM 0 H MET A 80 13.596 -13.858 2.558 1.00 0.00 H new ATOM 0 HA MET A 80 16.175 -13.270 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.309 -12.402 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.523 -11.190 0.668 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.296 -13.704 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.640 -13.332 -1.016 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.636 -10.293 -3.031 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.580 -11.991 -3.562 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.787 -11.507 -2.044 1.00 0.00 H new ATOM 1032 N SER A 81 16.670 -11.020 2.387 1.00 0.00 N ATOM 1033 CA SER A 81 17.166 -9.961 3.249 1.00 0.00 C ATOM 1034 C SER A 81 16.067 -8.924 3.491 1.00 0.00 C ATOM 1035 O SER A 81 15.023 -8.959 2.841 1.00 0.00 O ATOM 1036 CB SER A 81 18.402 -9.292 2.645 1.00 0.00 C ATOM 1037 OG SER A 81 19.541 -9.407 3.494 1.00 0.00 O ATOM 0 H SER A 81 17.134 -11.085 1.481 1.00 0.00 H new ATOM 0 HA SER A 81 17.455 -10.404 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.623 -9.745 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.191 -8.238 2.462 1.00 0.00 H new ATOM 0 HG SER A 81 20.309 -8.969 3.072 1.00 0.00 H new ATOM 1043 N PRO A 82 16.346 -8.003 4.451 1.00 0.00 N ATOM 1044 CA PRO A 82 15.393 -6.958 4.786 1.00 0.00 C ATOM 1045 C PRO A 82 15.364 -5.875 3.705 1.00 0.00 C ATOM 1046 O PRO A 82 14.362 -5.180 3.545 1.00 0.00 O ATOM 1047 CB PRO A 82 15.843 -6.435 6.140 1.00 0.00 C ATOM 1048 CG PRO A 82 17.288 -6.878 6.299 1.00 0.00 C ATOM 1049 CD PRO A 82 17.572 -7.931 5.240 1.00 0.00 C ATOM 0 HA PRO A 82 14.367 -7.324 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.760 -5.349 6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.221 -6.837 6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.962 -6.029 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.455 -7.285 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.425 -7.651 4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.809 -8.894 5.693 1.00 0.00 H new ATOM 1057 N LEU A 83 16.476 -5.766 2.993 1.00 0.00 N ATOM 1058 CA LEU A 83 16.591 -4.779 1.933 1.00 0.00 C ATOM 1059 C LEU A 83 15.854 -5.283 0.690 1.00 0.00 C ATOM 1060 O LEU A 83 14.956 -4.614 0.182 1.00 0.00 O ATOM 1061 CB LEU A 83 18.060 -4.434 1.679 1.00 0.00 C ATOM 1062 CG LEU A 83 18.345 -2.997 1.238 1.00 0.00 C ATOM 1063 CD1 LEU A 83 19.843 -2.691 1.301 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.762 -2.723 -0.150 1.00 0.00 C ATOM 0 H LEU A 83 17.305 -6.345 3.129 1.00 0.00 H new ATOM 0 HA LEU A 83 16.115 -3.845 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.622 -4.631 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.445 -5.110 0.916 1.00 0.00 H new ATOM 0 HG LEU A 83 17.849 -2.321 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.018 -1.663 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.198 -2.819 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.381 -3.372 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.979 -1.695 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.209 -3.405 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.683 -2.874 -0.128 1.00 0.00 H new ATOM 1076 N GLN A 84 16.261 -6.460 0.237 1.00 0.00 N ATOM 1077 CA GLN A 84 15.651 -7.062 -0.936 1.00 0.00 C ATOM 1078 C GLN A 84 14.129 -6.916 -0.877 1.00 0.00 C ATOM 1079 O GLN A 84 13.502 -6.510 -1.854 1.00 0.00 O ATOM 1080 CB GLN A 84 16.055 -8.531 -1.072 1.00 0.00 C ATOM 1081 CG GLN A 84 17.447 -8.661 -1.696 1.00 0.00 C ATOM 1082 CD GLN A 84 17.415 -9.578 -2.920 1.00 0.00 C ATOM 1083 OE1 GLN A 84 16.957 -9.213 -3.990 1.00 0.00 O ATOM 1084 NE2 GLN A 84 17.927 -10.787 -2.703 1.00 0.00 N ATOM 0 H GLN A 84 17.006 -7.013 0.661 1.00 0.00 H new ATOM 0 HA GLN A 84 16.013 -6.536 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.046 -9.007 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.326 -9.057 -1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.814 -7.676 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.145 -9.057 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.294 -11.028 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.952 -11.473 -3.457 1.00 0.00 H new ATOM 1093 N ARG A 85 13.579 -7.255 0.280 1.00 0.00 N ATOM 1094 CA ARG A 85 12.142 -7.166 0.480 1.00 0.00 C ATOM 1095 C ARG A 85 11.628 -5.795 0.037 1.00 0.00 C ATOM 1096 O ARG A 85 10.899 -5.690 -0.948 1.00 0.00 O ATOM 1097 CB ARG A 85 11.775 -7.391 1.948 1.00 0.00 C ATOM 1098 CG ARG A 85 11.843 -8.876 2.309 1.00 0.00 C ATOM 1099 CD ARG A 85 12.008 -9.067 3.818 1.00 0.00 C ATOM 1100 NE ARG A 85 12.665 -10.364 4.096 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.010 -11.527 4.216 1.00 0.00 C ATOM 1102 NH1 ARG A 85 10.677 -11.562 4.084 1.00 0.00 N ATOM 1103 NH2 ARG A 85 12.688 -12.655 4.469 1.00 0.00 N ATOM 0 H ARG A 85 14.102 -7.592 1.088 1.00 0.00 H new ATOM 0 HA ARG A 85 11.675 -7.945 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.454 -6.826 2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.770 -7.013 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.936 -9.378 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.678 -9.343 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.602 -8.253 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.034 -9.032 4.306 1.00 0.00 H new ATOM 0 HE ARG A 85 13.679 -10.373 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.161 -10.703 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.179 -12.447 4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.703 -12.628 4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.189 -13.540 4.560 1.00 0.00 H new ATOM 1117 N HIS A 86 12.028 -4.778 0.787 1.00 0.00 N ATOM 1118 CA HIS A 86 11.617 -3.418 0.484 1.00 0.00 C ATOM 1119 C HIS A 86 12.022 -3.066 -0.949 1.00 0.00 C ATOM 1120 O HIS A 86 11.333 -2.301 -1.622 1.00 0.00 O ATOM 1121 CB HIS A 86 12.179 -2.438 1.516 1.00 0.00 C ATOM 1122 CG HIS A 86 11.525 -2.534 2.874 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.240 -1.424 3.649 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.103 -3.619 3.585 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.673 -1.834 4.774 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.590 -3.195 4.733 1.00 0.00 N ATOM 0 H HIS A 86 12.632 -4.869 1.604 1.00 0.00 H new ATOM 0 HA HIS A 86 10.532 -3.340 0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.249 -2.616 1.626 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.062 -1.422 1.139 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.174 -4.649 3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.336 -1.202 5.582 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.198 -3.789 5.464 1.00 0.00 H new ATOM 1134 N ARG A 87 13.136 -3.643 -1.374 1.00 0.00 N ATOM 1135 CA ARG A 87 13.641 -3.400 -2.714 1.00 0.00 C ATOM 1136 C ARG A 87 12.681 -3.979 -3.756 1.00 0.00 C ATOM 1137 O ARG A 87 12.468 -3.381 -4.809 1.00 0.00 O ATOM 1138 CB ARG A 87 15.025 -4.025 -2.903 1.00 0.00 C ATOM 1139 CG ARG A 87 15.657 -3.570 -4.220 1.00 0.00 C ATOM 1140 CD ARG A 87 16.723 -4.562 -4.689 1.00 0.00 C ATOM 1141 NE ARG A 87 17.228 -4.169 -6.023 1.00 0.00 N ATOM 1142 CZ ARG A 87 18.146 -3.215 -6.228 1.00 0.00 C ATOM 1143 NH1 ARG A 87 18.665 -2.550 -5.186 1.00 0.00 N ATOM 1144 NH2 ARG A 87 18.546 -2.925 -7.474 1.00 0.00 N ATOM 0 H ARG A 87 13.703 -4.279 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 87 13.721 -2.321 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.671 -3.746 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.942 -5.112 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.885 -3.473 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.104 -2.584 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.545 -4.590 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.303 -5.567 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 87 16.854 -4.655 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.361 -2.770 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 87 19.364 -1.824 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.151 -3.431 -8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.245 -2.199 -7.629 1.00 0.00 H new ATOM 1158 N LEU A 88 12.128 -5.137 -3.425 1.00 0.00 N ATOM 1159 CA LEU A 88 11.196 -5.803 -4.318 1.00 0.00 C ATOM 1160 C LEU A 88 10.025 -4.865 -4.619 1.00 0.00 C ATOM 1161 O LEU A 88 9.718 -4.603 -5.781 1.00 0.00 O ATOM 1162 CB LEU A 88 10.769 -7.153 -3.738 1.00 0.00 C ATOM 1163 CG LEU A 88 11.478 -8.383 -4.307 1.00 0.00 C ATOM 1164 CD1 LEU A 88 10.760 -8.901 -5.555 1.00 0.00 C ATOM 1165 CD2 LEU A 88 12.955 -8.088 -4.577 1.00 0.00 C ATOM 0 H LEU A 88 12.308 -5.631 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 88 11.677 -6.029 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.932 -7.131 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.697 -7.271 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 88 11.439 -9.176 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.284 -9.776 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.737 -9.175 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.747 -8.122 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.436 -8.979 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.038 -7.273 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.445 -7.802 -3.646 1.00 0.00 H new ATOM 1177 N VAL A 89 9.404 -4.385 -3.552 1.00 0.00 N ATOM 1178 CA VAL A 89 8.274 -3.481 -3.688 1.00 0.00 C ATOM 1179 C VAL A 89 8.750 -2.165 -4.307 1.00 0.00 C ATOM 1180 O VAL A 89 8.071 -1.594 -5.157 1.00 0.00 O ATOM 1181 CB VAL A 89 7.591 -3.291 -2.332 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.504 -2.218 -2.412 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.019 -4.614 -1.817 1.00 0.00 C ATOM 0 H VAL A 89 9.661 -4.605 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 89 7.526 -3.903 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 89 8.344 -2.952 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.034 -2.102 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.950 -1.270 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.752 -2.515 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.539 -4.452 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.285 -4.994 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.825 -5.339 -1.704 1.00 0.00 H new ATOM 1193 N HIS A 90 9.915 -1.723 -3.855 1.00 0.00 N ATOM 1194 CA HIS A 90 10.490 -0.485 -4.354 1.00 0.00 C ATOM 1195 C HIS A 90 10.748 -0.608 -5.857 1.00 0.00 C ATOM 1196 O HIS A 90 10.533 0.342 -6.607 1.00 0.00 O ATOM 1197 CB HIS A 90 11.747 -0.113 -3.565 1.00 0.00 C ATOM 1198 CG HIS A 90 11.482 0.245 -2.122 1.00 0.00 C ATOM 1199 ND1 HIS A 90 12.484 0.635 -1.250 1.00 0.00 N ATOM 1200 CD2 HIS A 90 10.320 0.267 -1.407 1.00 0.00 C ATOM 1201 CE1 HIS A 90 11.938 0.879 -0.068 1.00 0.00 C ATOM 1202 NE2 HIS A 90 10.598 0.650 -0.167 1.00 0.00 N ATOM 0 H HIS A 90 10.476 -2.200 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 90 9.784 0.333 -4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.446 -0.949 -3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.235 0.730 -4.054 1.00 0.00 H new ATOM 0 HD1 HIS A 90 13.474 0.720 -1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.340 0.015 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.463 1.203 0.819 1.00 0.00 H new ATOM 1210 N GLU A 91 11.207 -1.787 -6.251 1.00 0.00 N ATOM 1211 CA GLU A 91 11.497 -2.047 -7.651 1.00 0.00 C ATOM 1212 C GLU A 91 10.213 -1.981 -8.480 1.00 0.00 C ATOM 1213 O GLU A 91 10.197 -1.394 -9.561 1.00 0.00 O ATOM 1214 CB GLU A 91 12.193 -3.398 -7.825 1.00 0.00 C ATOM 1215 CG GLU A 91 13.663 -3.212 -8.208 1.00 0.00 C ATOM 1216 CD GLU A 91 14.083 -4.224 -9.276 1.00 0.00 C ATOM 1217 OE1 GLU A 91 13.890 -3.904 -10.468 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.589 -5.295 -8.875 1.00 0.00 O ATOM 0 H GLU A 91 11.385 -2.573 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 91 12.178 -1.276 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.124 -3.969 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.683 -3.977 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.821 -2.199 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.290 -3.329 -7.324 1.00 0.00 H new ATOM 1225 N ALA A 92 9.167 -2.592 -7.943 1.00 0.00 N ATOM 1226 CA ALA A 92 7.881 -2.610 -8.620 1.00 0.00 C ATOM 1227 C ALA A 92 7.239 -1.225 -8.522 1.00 0.00 C ATOM 1228 O ALA A 92 6.664 -0.734 -9.492 1.00 0.00 O ATOM 1229 CB ALA A 92 7.001 -3.705 -8.014 1.00 0.00 C ATOM 0 H ALA A 92 9.184 -3.078 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 92 8.007 -2.841 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.036 -3.719 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.489 -4.672 -8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.850 -3.505 -6.953 1.00 0.00 H new ATOM 1235 N LEU A 93 7.358 -0.634 -7.342 1.00 0.00 N ATOM 1236 CA LEU A 93 6.796 0.684 -7.106 1.00 0.00 C ATOM 1237 C LEU A 93 7.916 1.646 -6.702 1.00 0.00 C ATOM 1238 O LEU A 93 7.922 2.163 -5.585 1.00 0.00 O ATOM 1239 CB LEU A 93 5.656 0.606 -6.089 1.00 0.00 C ATOM 1240 CG LEU A 93 4.374 -0.077 -6.569 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.895 0.525 -7.892 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.563 -1.593 -6.665 1.00 0.00 C ATOM 0 H LEU A 93 7.835 -1.044 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 93 6.351 1.078 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.018 0.077 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.408 1.619 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 93 3.593 0.104 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.982 0.022 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.695 1.588 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.666 0.394 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.637 -2.054 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.363 -1.816 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.824 -1.990 -5.684 1.00 0.00 H new ATOM 1254 N SER A 94 8.836 1.857 -7.632 1.00 0.00 N ATOM 1255 CA SER A 94 9.957 2.747 -7.386 1.00 0.00 C ATOM 1256 C SER A 94 9.507 4.204 -7.516 1.00 0.00 C ATOM 1257 O SER A 94 9.768 5.019 -6.633 1.00 0.00 O ATOM 1258 CB SER A 94 11.110 2.460 -8.350 1.00 0.00 C ATOM 1259 OG SER A 94 12.302 2.090 -7.662 1.00 0.00 O ATOM 0 H SER A 94 8.828 1.427 -8.557 1.00 0.00 H new ATOM 0 HA SER A 94 10.315 2.573 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.822 1.660 -9.032 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.302 3.344 -8.959 1.00 0.00 H new ATOM 0 HG SER A 94 12.113 1.340 -7.060 1.00 0.00 H new ATOM 1265 N GLU A 95 8.839 4.487 -8.625 1.00 0.00 N ATOM 1266 CA GLU A 95 8.351 5.831 -8.882 1.00 0.00 C ATOM 1267 C GLU A 95 7.401 6.273 -7.767 1.00 0.00 C ATOM 1268 O GLU A 95 7.194 7.467 -7.559 1.00 0.00 O ATOM 1269 CB GLU A 95 7.668 5.914 -10.248 1.00 0.00 C ATOM 1270 CG GLU A 95 8.574 6.600 -11.273 1.00 0.00 C ATOM 1271 CD GLU A 95 7.751 7.229 -12.399 1.00 0.00 C ATOM 1272 OE1 GLU A 95 7.018 6.463 -13.062 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.874 8.460 -12.572 1.00 0.00 O ATOM 0 H GLU A 95 8.624 3.808 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 95 9.204 6.510 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.415 4.912 -10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.732 6.465 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.170 7.368 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.272 5.874 -11.690 1.00 0.00 H new ATOM 1280 N GLU A 96 6.848 5.285 -7.078 1.00 0.00 N ATOM 1281 CA GLU A 96 5.925 5.557 -5.989 1.00 0.00 C ATOM 1282 C GLU A 96 6.646 6.280 -4.850 1.00 0.00 C ATOM 1283 O GLU A 96 6.093 7.195 -4.242 1.00 0.00 O ATOM 1284 CB GLU A 96 5.269 4.267 -5.492 1.00 0.00 C ATOM 1285 CG GLU A 96 4.138 3.831 -6.426 1.00 0.00 C ATOM 1286 CD GLU A 96 4.558 3.961 -7.892 1.00 0.00 C ATOM 1287 OE1 GLU A 96 5.524 3.264 -8.270 1.00 0.00 O ATOM 1288 OE2 GLU A 96 3.903 4.755 -8.602 1.00 0.00 O ATOM 0 H GLU A 96 7.021 4.295 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 96 5.134 6.208 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.017 3.476 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.877 4.418 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.863 2.798 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.254 4.441 -6.242 1.00 0.00 H new ATOM 1295 N LEU A 97 7.870 5.841 -4.595 1.00 0.00 N ATOM 1296 CA LEU A 97 8.673 6.435 -3.539 1.00 0.00 C ATOM 1297 C LEU A 97 9.651 7.440 -4.152 1.00 0.00 C ATOM 1298 O LEU A 97 10.545 7.937 -3.468 1.00 0.00 O ATOM 1299 CB LEU A 97 9.351 5.347 -2.705 1.00 0.00 C ATOM 1300 CG LEU A 97 8.437 4.242 -2.172 1.00 0.00 C ATOM 1301 CD1 LEU A 97 9.001 2.858 -2.497 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.179 4.419 -0.674 1.00 0.00 C ATOM 0 H LEU A 97 8.325 5.081 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 97 8.041 6.988 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.130 4.885 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.846 5.822 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 97 7.474 4.323 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.332 2.091 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.090 2.746 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.984 2.749 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.527 3.621 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.125 4.380 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.701 5.383 -0.499 1.00 0.00 H new ATOM 1314 N ALA A 98 9.448 7.708 -5.433 1.00 0.00 N ATOM 1315 CA ALA A 98 10.301 8.645 -6.146 1.00 0.00 C ATOM 1316 C ALA A 98 9.453 9.806 -6.667 1.00 0.00 C ATOM 1317 O ALA A 98 9.530 10.158 -7.843 1.00 0.00 O ATOM 1318 CB ALA A 98 11.038 7.911 -7.268 1.00 0.00 C ATOM 0 H ALA A 98 8.706 7.293 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 98 11.055 9.062 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.678 8.613 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.649 7.115 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.313 7.481 -7.959 1.00 0.00 H new ATOM 1324 N GLY A 99 8.661 10.370 -5.766 1.00 0.00 N ATOM 1325 CA GLY A 99 7.799 11.484 -6.120 1.00 0.00 C ATOM 1326 C GLY A 99 6.679 11.659 -5.092 1.00 0.00 C ATOM 1327 O GLY A 99 6.705 12.592 -4.292 1.00 0.00 O ATOM 0 H GLY A 99 8.599 10.076 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.388 12.399 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.368 11.316 -7.107 1.00 0.00 H new ATOM 1331 N PRO A 100 5.695 10.721 -5.149 1.00 0.00 N ATOM 1332 CA PRO A 100 4.568 10.762 -4.234 1.00 0.00 C ATOM 1333 C PRO A 100 4.980 10.295 -2.836 1.00 0.00 C ATOM 1334 O PRO A 100 5.138 11.109 -1.927 1.00 0.00 O ATOM 1335 CB PRO A 100 3.512 9.873 -4.870 1.00 0.00 C ATOM 1336 CG PRO A 100 4.250 9.003 -5.874 1.00 0.00 C ATOM 1337 CD PRO A 100 5.631 9.601 -6.084 1.00 0.00 C ATOM 0 HA PRO A 100 4.183 11.771 -4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.011 9.263 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.743 10.470 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.329 7.980 -5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.705 8.962 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.414 8.870 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.766 9.935 -7.113 1.00 0.00 H new ATOM 1345 N VAL A 101 5.142 8.987 -2.708 1.00 0.00 N ATOM 1346 CA VAL A 101 5.532 8.402 -1.436 1.00 0.00 C ATOM 1347 C VAL A 101 6.948 8.859 -1.083 1.00 0.00 C ATOM 1348 O VAL A 101 7.810 8.953 -1.955 1.00 0.00 O ATOM 1349 CB VAL A 101 5.393 6.879 -1.496 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.368 6.275 -0.091 1.00 0.00 C ATOM 1351 CG2 VAL A 101 4.150 6.473 -2.290 1.00 0.00 C ATOM 0 H VAL A 101 5.010 8.315 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 101 4.871 8.744 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 101 6.266 6.483 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.269 5.192 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.295 6.521 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.523 6.681 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.075 5.386 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.262 6.886 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.227 6.857 -3.307 1.00 0.00 H new ATOM 1361 N HIS A 102 7.145 9.133 0.199 1.00 0.00 N ATOM 1362 CA HIS A 102 8.442 9.578 0.679 1.00 0.00 C ATOM 1363 C HIS A 102 9.036 8.520 1.610 1.00 0.00 C ATOM 1364 O HIS A 102 10.252 8.334 1.648 1.00 0.00 O ATOM 1365 CB HIS A 102 8.334 10.954 1.339 1.00 0.00 C ATOM 1366 CG HIS A 102 8.111 12.087 0.365 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.412 13.404 0.665 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.615 12.085 -0.906 1.00 0.00 C ATOM 1369 CE1 HIS A 102 8.106 14.152 -0.385 1.00 0.00 C ATOM 1370 NE2 HIS A 102 7.612 13.333 -1.357 1.00 0.00 N ATOM 0 H HIS A 102 6.427 9.055 0.920 1.00 0.00 H new ATOM 0 HA HIS A 102 9.124 9.695 -0.163 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.513 10.938 2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.246 11.148 1.903 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.281 11.215 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.227 15.223 -0.458 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.293 13.631 -2.279 1.00 0.00 H new ATOM 1378 N ALA A 103 8.152 7.853 2.337 1.00 0.00 N ATOM 1379 CA ALA A 103 8.573 6.818 3.265 1.00 0.00 C ATOM 1380 C ALA A 103 7.346 6.045 3.752 1.00 0.00 C ATOM 1381 O ALA A 103 6.514 6.588 4.478 1.00 0.00 O ATOM 1382 CB ALA A 103 9.358 7.452 4.415 1.00 0.00 C ATOM 0 H ALA A 103 7.145 8.010 2.302 1.00 0.00 H new ATOM 0 HA ALA A 103 9.235 6.107 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.674 6.675 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.236 7.963 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.725 8.170 4.935 1.00 0.00 H new ATOM 1388 N LEU A 104 7.272 4.790 3.334 1.00 0.00 N ATOM 1389 CA LEU A 104 6.160 3.938 3.720 1.00 0.00 C ATOM 1390 C LEU A 104 6.703 2.637 4.316 1.00 0.00 C ATOM 1391 O LEU A 104 7.582 2.003 3.734 1.00 0.00 O ATOM 1392 CB LEU A 104 5.214 3.724 2.537 1.00 0.00 C ATOM 1393 CG LEU A 104 5.278 2.350 1.866 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.380 1.344 2.591 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.941 2.450 0.377 1.00 0.00 C ATOM 0 H LEU A 104 7.964 4.343 2.732 1.00 0.00 H new ATOM 0 HA LEU A 104 5.562 4.419 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.193 3.892 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.427 4.484 1.785 1.00 0.00 H new ATOM 0 HG LEU A 104 6.301 1.981 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.443 0.376 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.708 1.243 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.349 1.696 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.994 1.460 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.934 2.850 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.655 3.112 -0.114 1.00 0.00 H new ATOM 1407 N ALA A 105 6.157 2.279 5.468 1.00 0.00 N ATOM 1408 CA ALA A 105 6.575 1.065 6.149 1.00 0.00 C ATOM 1409 C ALA A 105 6.031 -0.150 5.397 1.00 0.00 C ATOM 1410 O ALA A 105 4.884 -0.547 5.598 1.00 0.00 O ATOM 1411 CB ALA A 105 6.105 1.109 7.605 1.00 0.00 C ATOM 0 H ALA A 105 5.429 2.808 5.948 1.00 0.00 H new ATOM 0 HA ALA A 105 7.662 0.986 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.418 0.199 8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.543 1.974 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.018 1.186 7.634 1.00 0.00 H new ATOM 1417 N ILE A 106 6.880 -0.708 4.546 1.00 0.00 N ATOM 1418 CA ILE A 106 6.499 -1.871 3.762 1.00 0.00 C ATOM 1419 C ILE A 106 6.647 -3.129 4.619 1.00 0.00 C ATOM 1420 O ILE A 106 7.710 -3.376 5.188 1.00 0.00 O ATOM 1421 CB ILE A 106 7.292 -1.920 2.455 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.168 -0.601 1.688 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.873 -3.120 1.604 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.842 -0.698 0.318 1.00 0.00 C ATOM 0 H ILE A 106 7.831 -0.376 4.382 1.00 0.00 H new ATOM 0 HA ILE A 106 5.451 -1.806 3.469 1.00 0.00 H new ATOM 0 HB ILE A 106 8.346 -2.052 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.116 -0.347 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.623 0.204 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.452 -3.131 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.056 -4.041 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.812 -3.045 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.739 0.252 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.899 -0.928 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.368 -1.487 -0.266 1.00 0.00 H new ATOM 1436 N GLN A 107 5.566 -3.893 4.686 1.00 0.00 N ATOM 1437 CA GLN A 107 5.563 -5.120 5.464 1.00 0.00 C ATOM 1438 C GLN A 107 5.730 -6.332 4.545 1.00 0.00 C ATOM 1439 O GLN A 107 4.758 -6.815 3.966 1.00 0.00 O ATOM 1440 CB GLN A 107 4.286 -5.236 6.299 1.00 0.00 C ATOM 1441 CG GLN A 107 4.615 -5.517 7.767 1.00 0.00 C ATOM 1442 CD GLN A 107 3.878 -4.542 8.689 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.851 -3.342 8.471 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.285 -5.124 9.727 1.00 0.00 N ATOM 0 H GLN A 107 4.686 -3.686 4.214 1.00 0.00 H new ATOM 0 HA GLN A 107 6.407 -5.093 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.711 -4.313 6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.660 -6.036 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.336 -6.541 8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.690 -5.432 7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.348 -6.135 9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.767 -4.560 10.401 1.00 0.00 H new ATOM 1453 N ALA A 108 6.970 -6.788 4.440 1.00 0.00 N ATOM 1454 CA ALA A 108 7.276 -7.934 3.601 1.00 0.00 C ATOM 1455 C ALA A 108 7.323 -9.196 4.466 1.00 0.00 C ATOM 1456 O ALA A 108 8.242 -9.372 5.264 1.00 0.00 O ATOM 1457 CB ALA A 108 8.591 -7.687 2.860 1.00 0.00 C ATOM 0 H ALA A 108 7.774 -6.385 4.922 1.00 0.00 H new ATOM 0 HA ALA A 108 6.500 -8.078 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.821 -8.547 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.497 -6.797 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.394 -7.541 3.583 1.00 0.00 H new ATOM 1463 N LYS A 109 6.320 -10.041 4.278 1.00 0.00 N ATOM 1464 CA LYS A 109 6.235 -11.281 5.031 1.00 0.00 C ATOM 1465 C LYS A 109 6.014 -12.445 4.064 1.00 0.00 C ATOM 1466 O LYS A 109 5.890 -12.240 2.858 1.00 0.00 O ATOM 1467 CB LYS A 109 5.166 -11.174 6.120 1.00 0.00 C ATOM 1468 CG LYS A 109 5.258 -9.832 6.850 1.00 0.00 C ATOM 1469 CD LYS A 109 5.189 -10.027 8.366 1.00 0.00 C ATOM 1470 CE LYS A 109 5.097 -8.681 9.088 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.494 -8.825 10.506 1.00 0.00 N ATOM 0 H LYS A 109 5.559 -9.891 3.615 1.00 0.00 H new ATOM 0 HA LYS A 109 7.171 -11.474 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.177 -11.283 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.286 -11.989 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.191 -9.333 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.446 -9.181 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.323 -10.639 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.072 -10.567 8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.742 -7.953 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.078 -8.298 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.426 -7.902 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.862 -9.504 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.474 -9.170 10.559 1.00 0.00 H new ATOM 1485 N THR A 110 5.972 -13.643 4.630 1.00 0.00 N ATOM 1486 CA THR A 110 5.768 -14.840 3.833 1.00 0.00 C ATOM 1487 C THR A 110 4.444 -15.510 4.206 1.00 0.00 C ATOM 1488 O THR A 110 3.856 -15.198 5.240 1.00 0.00 O ATOM 1489 CB THR A 110 6.984 -15.749 4.025 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.395 -15.500 5.367 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.182 -15.310 3.181 1.00 0.00 C ATOM 0 H THR A 110 6.076 -13.810 5.631 1.00 0.00 H new ATOM 0 HA THR A 110 5.687 -14.600 2.773 1.00 0.00 H new ATOM 0 HB THR A 110 6.715 -16.774 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.372 -15.552 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.017 -15.988 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.911 -15.331 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.473 -14.297 3.461 1.00 0.00 H new ATOM 1499 N PRO A 111 4.002 -16.443 3.320 1.00 0.00 N ATOM 1500 CA PRO A 111 2.758 -17.159 3.546 1.00 0.00 C ATOM 1501 C PRO A 111 2.928 -18.222 4.633 1.00 0.00 C ATOM 1502 O PRO A 111 1.985 -18.946 4.951 1.00 0.00 O ATOM 1503 CB PRO A 111 2.392 -17.747 2.193 1.00 0.00 C ATOM 1504 CG PRO A 111 3.671 -17.732 1.372 1.00 0.00 C ATOM 1505 CD PRO A 111 4.672 -16.838 2.085 1.00 0.00 C ATOM 0 HA PRO A 111 1.961 -16.513 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.008 -18.762 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.611 -17.159 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.068 -18.741 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.475 -17.359 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.601 -17.369 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.929 -15.969 1.479 1.00 0.00 H new ATOM 1513 N ALA A 112 4.136 -18.282 5.174 1.00 0.00 N ATOM 1514 CA ALA A 112 4.441 -19.245 6.220 1.00 0.00 C ATOM 1515 C ALA A 112 4.581 -18.513 7.556 1.00 0.00 C ATOM 1516 O ALA A 112 4.448 -19.120 8.617 1.00 0.00 O ATOM 1517 CB ALA A 112 5.704 -20.022 5.845 1.00 0.00 C ATOM 0 H ALA A 112 4.915 -17.680 4.908 1.00 0.00 H new ATOM 0 HA ALA A 112 3.632 -19.968 6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.933 -20.744 6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.542 -20.547 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.538 -19.329 5.735 1.00 0.00 H new ATOM 1523 N GLN A 113 4.846 -17.218 7.460 1.00 0.00 N ATOM 1524 CA GLN A 113 5.006 -16.397 8.648 1.00 0.00 C ATOM 1525 C GLN A 113 3.701 -15.663 8.965 1.00 0.00 C ATOM 1526 O GLN A 113 3.313 -15.553 10.127 1.00 0.00 O ATOM 1527 CB GLN A 113 6.163 -15.410 8.482 1.00 0.00 C ATOM 1528 CG GLN A 113 7.502 -16.146 8.396 1.00 0.00 C ATOM 1529 CD GLN A 113 8.410 -15.769 9.568 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.809 -14.629 9.737 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.714 -16.789 10.366 1.00 0.00 N ATOM 0 H GLN A 113 4.954 -16.717 6.578 1.00 0.00 H new ATOM 0 HA GLN A 113 5.247 -17.050 9.487 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.012 -14.815 7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.178 -14.717 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.330 -17.222 8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.996 -15.902 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.346 -17.719 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.315 -16.641 11.177 1.00 0.00 H new ATOM 1540 N TRP A 114 3.060 -15.181 7.911 1.00 0.00 N ATOM 1541 CA TRP A 114 1.807 -14.461 8.062 1.00 0.00 C ATOM 1542 C TRP A 114 0.835 -15.359 8.830 1.00 0.00 C ATOM 1543 O TRP A 114 -0.065 -14.868 9.509 1.00 0.00 O ATOM 1544 CB TRP A 114 1.263 -14.015 6.703 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.174 -13.491 6.750 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.311 -14.185 6.603 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.584 -12.124 6.964 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.419 -13.369 6.707 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.962 -12.075 6.933 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.185 -10.966 7.177 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.692 -10.894 7.108 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.559 -9.793 7.350 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.947 -9.728 7.321 1.00 0.00 C ATOM 0 H TRP A 114 3.385 -15.275 6.949 1.00 0.00 H new ATOM 0 HA TRP A 114 1.956 -13.543 8.631 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.910 -13.235 6.302 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.310 -14.856 6.011 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.355 -15.249 6.425 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.393 -13.661 6.632 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.265 -10.981 7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.772 -10.883 7.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.017 -8.874 7.518 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.449 -8.782 7.462 1.00 0.00 H new ATOM 1564 N ARG A 115 1.049 -16.660 8.695 1.00 0.00 N ATOM 1565 CA ARG A 115 0.203 -17.631 9.367 1.00 0.00 C ATOM 1566 C ARG A 115 0.337 -17.491 10.885 1.00 0.00 C ATOM 1567 O ARG A 115 -0.658 -17.322 11.587 1.00 0.00 O ATOM 1568 CB ARG A 115 0.572 -19.059 8.959 1.00 0.00 C ATOM 1569 CG ARG A 115 0.116 -19.355 7.529 1.00 0.00 C ATOM 1570 CD ARG A 115 0.492 -20.780 7.118 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.600 -21.714 7.473 1.00 0.00 N ATOM 1572 CZ ARG A 115 -0.508 -23.048 7.377 1.00 0.00 C ATOM 1573 NH1 ARG A 115 0.625 -23.612 6.937 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -1.550 -23.817 7.722 1.00 0.00 N ATOM 0 H ARG A 115 1.796 -17.064 8.130 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.827 -17.435 9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.651 -19.196 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.110 -19.768 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.963 -19.224 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.573 -18.642 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.681 -20.820 6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.414 -21.080 7.616 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.477 -21.318 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.418 -23.026 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.695 -24.627 6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.412 -23.387 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.481 -24.832 7.649 1.00 0.00 H new ATOM 1588 N GLU A 116 1.577 -17.568 11.347 1.00 0.00 N ATOM 1589 CA GLU A 116 1.854 -17.453 12.769 1.00 0.00 C ATOM 1590 C GLU A 116 1.157 -16.219 13.347 1.00 0.00 C ATOM 1591 O GLU A 116 0.382 -16.327 14.296 1.00 0.00 O ATOM 1592 CB GLU A 116 3.360 -17.405 13.032 1.00 0.00 C ATOM 1593 CG GLU A 116 3.996 -18.782 12.829 1.00 0.00 C ATOM 1594 CD GLU A 116 4.106 -19.536 14.156 1.00 0.00 C ATOM 1595 OE1 GLU A 116 4.990 -19.155 14.953 1.00 0.00 O ATOM 1596 OE2 GLU A 116 3.303 -20.476 14.343 1.00 0.00 O ATOM 0 H GLU A 116 2.401 -17.709 10.762 1.00 0.00 H new ATOM 0 HA GLU A 116 1.459 -18.337 13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.827 -16.683 12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.544 -17.062 14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.399 -19.362 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.986 -18.668 12.388 1.00 0.00 H new ATOM 1603 N ASN A 117 1.459 -15.075 12.750 1.00 0.00 N ATOM 1604 CA ASN A 117 0.872 -13.822 13.194 1.00 0.00 C ATOM 1605 C ASN A 117 0.495 -12.980 11.973 1.00 0.00 C ATOM 1606 O ASN A 117 1.288 -12.160 11.512 1.00 0.00 O ATOM 1607 CB ASN A 117 1.863 -13.017 14.037 1.00 0.00 C ATOM 1608 CG ASN A 117 1.146 -12.274 15.166 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.451 -12.856 15.983 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.352 -10.960 15.166 1.00 0.00 N ATOM 0 H ASN A 117 2.102 -14.990 11.963 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.006 -14.055 13.796 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.615 -13.685 14.457 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.389 -12.303 13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.916 -10.375 15.879 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.946 -10.537 14.453 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.747 -13.216 11.472 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.238 -12.489 10.315 1.00 0.00 C ATOM 1619 C PRO A 118 -1.624 -11.057 10.690 1.00 0.00 C ATOM 1620 O PRO A 118 -1.853 -10.222 9.816 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.413 -13.307 9.805 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.827 -14.206 10.959 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.713 -14.179 11.993 1.00 0.00 C ATOM 0 HA PRO A 118 -0.482 -12.376 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.235 -12.660 9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.129 -13.896 8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.763 -13.859 11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.998 -15.224 10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.087 -13.875 12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.263 -15.164 12.116 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.685 -10.816 11.991 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.040 -9.500 12.493 1.00 0.00 C ATOM 1633 C GLN A 119 -0.890 -8.517 12.264 1.00 0.00 C ATOM 1634 O GLN A 119 0.210 -8.711 12.779 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.421 -9.562 13.974 1.00 0.00 C ATOM 1636 CG GLN A 119 -2.923 -8.204 14.468 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.444 -8.208 14.634 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -5.168 -8.905 13.943 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.886 -7.393 15.588 1.00 0.00 N ATOM 0 H GLN A 119 -1.494 -11.511 12.713 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.911 -9.145 11.942 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -3.194 -10.316 14.123 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.557 -9.871 14.563 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.451 -7.962 15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.633 -7.426 13.762 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.225 -6.837 16.130 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.886 -7.324 15.777 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.184 -7.482 11.490 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.189 -6.468 11.187 1.00 0.00 C ATOM 1650 C LEU A 120 -0.053 -5.519 12.379 1.00 0.00 C ATOM 1651 O LEU A 120 -0.610 -5.773 13.446 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.528 -5.760 9.873 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.472 -6.624 8.612 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.416 -6.085 7.535 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.965 -6.755 8.101 1.00 0.00 C ATOM 0 H LEU A 120 -2.097 -7.324 11.064 1.00 0.00 H new ATOM 0 HA LEU A 120 0.787 -6.928 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.530 -5.340 9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.159 -4.923 9.747 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.816 -7.626 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.357 -6.718 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.438 -6.086 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.127 -5.067 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.977 -7.374 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.359 -5.766 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.584 -7.218 8.870 1.00 0.00 H new