USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 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 Set 1.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 14:sc= 0.826 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.856 (180deg=-1.13) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.82! F(o=-2.8,f=-1.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -115:sc= -3.4 (180deg=-7.77!) USER MOD Single : A 28 GLN :FLIP amide:sc= -3.32! C(o=-3.9!,f=-3.3!) USER MOD Single : A 38 ASN :FLIP amide:sc= -5.48! C(o=-13!,f=-5.5!) USER MOD Single : A 47 ASN : amide:sc= -1.89! X(o=-1.9!,f=-1.5) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= -0.178 (180deg=-1.11) USER MOD Single : A 62 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.55 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.361 F(o=-3.6!,f=-0.36) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.0025) USER MOD Single : A 85 SER OG : rot 16:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.471 -13.383 18.691 1.00 0.00 N ATOM 21 CA THR A 2 50.892 -13.045 18.658 1.00 0.00 C ATOM 22 C THR A 2 51.575 -13.685 17.458 1.00 0.00 C ATOM 23 O THR A 2 51.209 -14.785 17.044 1.00 0.00 O ATOM 24 CB THR A 2 51.582 -13.548 19.933 1.00 0.00 C ATOM 25 OG1 THR A 2 50.601 -14.000 20.855 1.00 0.00 O ATOM 26 CG2 THR A 2 52.397 -12.419 20.565 1.00 0.00 C ATOM 0 HA THR A 2 50.974 -11.960 18.586 1.00 0.00 H new ATOM 0 HB THR A 2 52.250 -14.371 19.678 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.742 -14.102 20.395 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.884 -12.784 21.469 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.153 -12.077 19.859 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.736 -11.590 20.818 1.00 0.00 H new ATOM 34 N VAL A 3 52.599 -13.021 16.927 1.00 0.00 N ATOM 35 CA VAL A 3 53.338 -13.566 15.827 1.00 0.00 C ATOM 36 C VAL A 3 54.785 -13.256 16.016 1.00 0.00 C ATOM 37 O VAL A 3 55.160 -12.136 16.355 1.00 0.00 O ATOM 38 CB VAL A 3 52.895 -12.988 14.513 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.746 -13.816 13.979 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.462 -11.536 14.710 1.00 0.00 C ATOM 0 H VAL A 3 52.923 -12.109 17.250 1.00 0.00 H new ATOM 0 HA VAL A 3 53.162 -14.641 15.805 1.00 0.00 H new ATOM 0 HB VAL A 3 53.717 -13.008 13.797 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.415 -13.406 13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.074 -14.846 13.838 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.920 -13.793 14.690 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.141 -11.119 13.755 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.636 -11.496 15.420 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.300 -10.956 15.096 1.00 0.00 H new ATOM 50 N LYS A 4 55.582 -14.256 15.797 1.00 0.00 N ATOM 51 CA LYS A 4 56.991 -14.119 15.940 1.00 0.00 C ATOM 52 C LYS A 4 57.698 -15.100 15.049 1.00 0.00 C ATOM 53 O LYS A 4 57.311 -16.265 14.953 1.00 0.00 O ATOM 54 CB LYS A 4 57.383 -14.345 17.381 1.00 0.00 C ATOM 55 CG LYS A 4 56.837 -15.699 17.877 1.00 0.00 C ATOM 56 CD LYS A 4 55.655 -15.493 18.848 1.00 0.00 C ATOM 57 CE LYS A 4 54.326 -15.357 18.080 1.00 0.00 C ATOM 58 NZ LYS A 4 53.309 -16.250 18.704 1.00 0.00 N ATOM 0 H LYS A 4 55.271 -15.186 15.515 1.00 0.00 H new ATOM 0 HA LYS A 4 57.283 -13.110 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.469 -14.325 17.477 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.993 -13.538 18.002 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.514 -16.299 17.026 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.631 -16.255 18.376 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.596 -16.335 19.538 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.825 -14.600 19.449 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.983 -14.323 18.103 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.468 -15.623 17.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.367 -16.018 18.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.535 -17.241 18.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.314 -16.115 19.735 1.00 0.00 H new ATOM 72 N GLN A 5 58.713 -14.622 14.365 1.00 0.00 N ATOM 73 CA GLN A 5 59.427 -15.483 13.446 1.00 0.00 C ATOM 74 C GLN A 5 60.908 -15.158 13.383 1.00 0.00 C ATOM 75 O GLN A 5 61.333 -14.030 13.611 1.00 0.00 O ATOM 76 CB GLN A 5 58.819 -15.312 12.070 1.00 0.00 C ATOM 77 CG GLN A 5 57.297 -15.186 12.202 1.00 0.00 C ATOM 78 CD GLN A 5 56.650 -15.162 10.821 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.329 -15.568 9.783 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.493 -14.762 10.684 1.00 0.00 N flip ATOM 0 H GLN A 5 59.058 -13.664 14.423 1.00 0.00 H new ATOM 0 HA GLN A 5 59.337 -16.511 13.798 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.228 -14.425 11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.072 -16.164 11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 5 56.904 -16.022 12.781 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.046 -14.275 12.746 1.00 0.00 H new ATOM 0 HE21 GLN A 5 54.963 -14.445 11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.065 -14.748 9.758 1.00 0.00 H new ATOM 89 N THR A 6 61.682 -16.167 13.054 1.00 0.00 N ATOM 90 CA THR A 6 63.107 -16.020 12.933 1.00 0.00 C ATOM 91 C THR A 6 63.490 -15.869 11.468 1.00 0.00 C ATOM 92 O THR A 6 63.457 -16.837 10.707 1.00 0.00 O ATOM 93 CB THR A 6 63.789 -17.250 13.527 1.00 0.00 C ATOM 94 OG1 THR A 6 62.979 -17.781 14.566 1.00 0.00 O ATOM 95 CG2 THR A 6 65.139 -16.845 14.091 1.00 0.00 C ATOM 0 H THR A 6 61.339 -17.109 12.864 1.00 0.00 H new ATOM 0 HA THR A 6 63.430 -15.129 13.472 1.00 0.00 H new ATOM 0 HB THR A 6 63.927 -18.006 12.754 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.414 -18.572 14.948 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.632 -17.719 14.517 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.757 -16.432 13.294 1.00 0.00 H new ATOM 0 HG23 THR A 6 64.998 -16.093 14.867 1.00 0.00 H new ATOM 103 N VAL A 7 63.845 -14.651 11.071 1.00 0.00 N ATOM 104 CA VAL A 7 64.223 -14.405 9.680 1.00 0.00 C ATOM 105 C VAL A 7 65.742 -14.397 9.519 1.00 0.00 C ATOM 106 O VAL A 7 66.433 -13.549 10.083 1.00 0.00 O ATOM 107 CB VAL A 7 63.651 -13.055 9.203 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.348 -13.102 7.694 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.362 -12.741 9.971 1.00 0.00 C ATOM 0 H VAL A 7 63.880 -13.832 11.678 1.00 0.00 H new ATOM 0 HA VAL A 7 63.810 -15.211 9.073 1.00 0.00 H new ATOM 0 HB VAL A 7 64.391 -12.277 9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.945 -12.141 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.266 -13.312 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.618 -13.886 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.960 -11.786 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.630 -13.528 9.790 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.579 -12.685 11.038 1.00 0.00 H new ATOM 119 N GLU A 8 66.256 -15.330 8.725 1.00 0.00 N ATOM 120 CA GLU A 8 67.691 -15.395 8.480 1.00 0.00 C ATOM 121 C GLU A 8 68.075 -14.280 7.520 1.00 0.00 C ATOM 122 O GLU A 8 67.491 -14.159 6.443 1.00 0.00 O ATOM 123 CB GLU A 8 68.066 -16.752 7.879 1.00 0.00 C ATOM 124 CG GLU A 8 67.297 -17.861 8.599 1.00 0.00 C ATOM 125 CD GLU A 8 67.801 -19.226 8.143 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.822 -19.659 8.650 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.158 -19.819 7.292 1.00 0.00 O ATOM 0 H GLU A 8 65.707 -16.044 8.245 1.00 0.00 H new ATOM 0 HA GLU A 8 68.227 -15.276 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.834 -16.766 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.139 -16.919 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 8 67.421 -17.760 9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.231 -17.770 8.391 1.00 0.00 H new ATOM 134 N ILE A 9 69.036 -13.446 7.908 1.00 0.00 N ATOM 135 CA ILE A 9 69.431 -12.339 7.044 1.00 0.00 C ATOM 136 C ILE A 9 70.614 -12.700 6.172 1.00 0.00 C ATOM 137 O ILE A 9 71.529 -13.409 6.590 1.00 0.00 O ATOM 138 CB ILE A 9 69.831 -11.084 7.848 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.364 -11.174 9.317 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.245 -9.845 7.166 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.330 -10.090 9.640 1.00 0.00 C ATOM 0 H ILE A 9 69.543 -13.512 8.790 1.00 0.00 H new ATOM 0 HA ILE A 9 68.554 -12.129 6.432 1.00 0.00 H new ATOM 0 HB ILE A 9 70.919 -11.012 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.933 -12.158 9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.222 -11.070 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.524 -8.954 7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.635 -9.770 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.159 -9.928 7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.021 -10.180 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.771 -9.107 9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.462 -10.211 8.992 1.00 0.00 H new ATOM 311 N ALA A 20 62.400 -1.774 8.093 1.00 0.00 N ATOM 312 CA ALA A 20 62.366 -1.729 9.541 1.00 0.00 C ATOM 313 C ALA A 20 61.731 -0.421 9.988 1.00 0.00 C ATOM 314 O ALA A 20 61.147 -0.331 11.066 1.00 0.00 O ATOM 315 CB ALA A 20 63.800 -1.833 10.075 1.00 0.00 C ATOM 0 HA ALA A 20 61.776 -2.559 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.786 -1.800 11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.243 -2.773 9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.391 -1.000 9.695 1.00 0.00 H new ATOM 321 N MET A 21 61.848 0.586 9.134 1.00 0.00 N ATOM 322 CA MET A 21 61.278 1.893 9.418 1.00 0.00 C ATOM 323 C MET A 21 59.770 1.860 9.197 1.00 0.00 C ATOM 324 O MET A 21 59.006 2.379 10.008 1.00 0.00 O ATOM 325 CB MET A 21 61.913 2.952 8.515 1.00 0.00 C ATOM 326 CG MET A 21 63.385 3.130 8.895 1.00 0.00 C ATOM 327 SD MET A 21 64.064 4.563 8.021 1.00 0.00 S ATOM 328 CE MET A 21 63.713 5.796 9.298 1.00 0.00 C ATOM 0 H MET A 21 62.333 0.522 8.239 1.00 0.00 H new ATOM 0 HA MET A 21 61.481 2.148 10.458 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.830 2.652 7.470 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.383 3.899 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.480 3.269 9.972 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.949 2.233 8.639 1.00 0.00 H new ATOM 0 HE1 MET A 21 64.056 6.775 8.963 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.640 5.832 9.484 1.00 0.00 H new ATOM 0 HE3 MET A 21 64.232 5.525 10.218 1.00 0.00 H new ATOM 338 N LYS A 22 59.342 1.234 8.100 1.00 0.00 N ATOM 339 CA LYS A 22 57.912 1.140 7.810 1.00 0.00 C ATOM 340 C LYS A 22 57.165 0.717 9.060 1.00 0.00 C ATOM 341 O LYS A 22 56.192 1.350 9.449 1.00 0.00 O ATOM 342 CB LYS A 22 57.636 0.126 6.698 1.00 0.00 C ATOM 343 CG LYS A 22 58.708 0.247 5.624 1.00 0.00 C ATOM 344 CD LYS A 22 58.615 1.620 4.950 1.00 0.00 C ATOM 345 CE LYS A 22 59.306 1.571 3.584 1.00 0.00 C ATOM 346 NZ LYS A 22 58.365 1.013 2.572 1.00 0.00 N ATOM 0 H LYS A 22 59.951 0.793 7.411 1.00 0.00 H new ATOM 0 HA LYS A 22 57.571 2.121 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.628 -0.885 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.651 0.303 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.695 0.115 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.583 -0.542 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.570 1.907 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.084 2.377 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.623 2.571 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.204 0.955 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.833 0.979 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.083 0.052 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.521 1.618 2.512 1.00 0.00 H new ATOM 360 N LEU A 23 57.657 -0.338 9.703 1.00 0.00 N ATOM 361 CA LEU A 23 57.054 -0.833 10.932 1.00 0.00 C ATOM 362 C LEU A 23 56.502 0.339 11.712 1.00 0.00 C ATOM 363 O LEU A 23 55.386 0.314 12.211 1.00 0.00 O ATOM 364 CB LEU A 23 58.146 -1.473 11.781 1.00 0.00 C ATOM 365 CG LEU A 23 58.274 -2.972 11.503 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.035 -3.218 10.191 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.044 -3.592 12.663 1.00 0.00 C ATOM 0 H LEU A 23 58.472 -0.866 9.391 1.00 0.00 H new ATOM 0 HA LEU A 23 56.266 -1.548 10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.098 -0.983 11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.925 -1.316 12.837 1.00 0.00 H new ATOM 0 HG LEU A 23 57.284 -3.418 11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.115 -4.290 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.497 -2.752 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.034 -2.787 10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.153 -4.664 12.496 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.030 -3.133 12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.500 -3.423 13.592 1.00 0.00 H new ATOM 379 N PHE A 24 57.334 1.352 11.814 1.00 0.00 N ATOM 380 CA PHE A 24 57.000 2.555 12.543 1.00 0.00 C ATOM 381 C PHE A 24 55.869 3.324 11.856 1.00 0.00 C ATOM 382 O PHE A 24 54.784 3.505 12.420 1.00 0.00 O ATOM 383 CB PHE A 24 58.255 3.416 12.622 1.00 0.00 C ATOM 384 CG PHE A 24 59.472 2.579 13.011 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.737 3.179 13.005 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.357 1.219 13.379 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.870 2.446 13.357 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.495 0.492 13.725 1.00 0.00 C ATOM 389 CZ PHE A 24 61.750 1.102 13.714 1.00 0.00 C ATOM 0 H PHE A 24 58.263 1.364 11.393 1.00 0.00 H new ATOM 0 HA PHE A 24 56.650 2.294 13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.432 3.895 11.659 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.109 4.212 13.352 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.836 4.218 12.726 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.388 0.743 13.392 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.841 2.919 13.353 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.405 -0.548 14.003 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.629 0.534 13.982 1.00 0.00 H new ATOM 399 N GLU A 25 56.112 3.754 10.627 1.00 0.00 N ATOM 400 CA GLU A 25 55.092 4.479 9.879 1.00 0.00 C ATOM 401 C GLU A 25 53.914 3.557 9.622 1.00 0.00 C ATOM 402 O GLU A 25 52.767 3.992 9.532 1.00 0.00 O ATOM 403 CB GLU A 25 55.663 4.987 8.554 1.00 0.00 C ATOM 404 CG GLU A 25 56.529 6.223 8.808 1.00 0.00 C ATOM 405 CD GLU A 25 55.644 7.428 9.109 1.00 0.00 C ATOM 406 OE1 GLU A 25 54.435 7.270 9.085 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.189 8.491 9.358 1.00 0.00 O ATOM 0 H GLU A 25 56.993 3.617 10.131 1.00 0.00 H new ATOM 0 HA GLU A 25 54.761 5.339 10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.257 4.206 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.853 5.233 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 25 57.203 6.039 9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.151 6.427 7.936 1.00 0.00 H new ATOM 414 N LEU A 26 54.216 2.272 9.538 1.00 0.00 N ATOM 415 CA LEU A 26 53.199 1.264 9.331 1.00 0.00 C ATOM 416 C LEU A 26 52.570 0.926 10.672 1.00 0.00 C ATOM 417 O LEU A 26 51.388 0.606 10.750 1.00 0.00 O ATOM 418 CB LEU A 26 53.819 0.035 8.654 1.00 0.00 C ATOM 419 CG LEU A 26 52.966 -1.204 8.892 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.155 -1.658 10.346 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.482 -0.896 8.582 1.00 0.00 C ATOM 0 H LEU A 26 55.165 1.904 9.611 1.00 0.00 H new ATOM 0 HA LEU A 26 52.415 1.634 8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.916 0.215 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.824 -0.131 9.042 1.00 0.00 H new ATOM 0 HG LEU A 26 53.277 -2.010 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.550 -2.545 10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.205 -1.892 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.844 -0.859 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.881 -1.789 8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.134 -0.093 9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.384 -0.589 7.541 1.00 0.00 H new ATOM 433 N MET A 27 53.356 1.038 11.738 1.00 0.00 N ATOM 434 CA MET A 27 52.826 0.780 13.069 1.00 0.00 C ATOM 435 C MET A 27 51.590 1.642 13.220 1.00 0.00 C ATOM 436 O MET A 27 50.626 1.272 13.888 1.00 0.00 O ATOM 437 CB MET A 27 53.850 1.130 14.158 1.00 0.00 C ATOM 438 CG MET A 27 54.538 -0.145 14.659 1.00 0.00 C ATOM 439 SD MET A 27 53.430 -1.020 15.792 1.00 0.00 S ATOM 440 CE MET A 27 52.838 -2.307 14.656 1.00 0.00 C ATOM 0 H MET A 27 54.341 1.300 11.708 1.00 0.00 H new ATOM 0 HA MET A 27 52.593 -0.279 13.183 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.593 1.822 13.762 1.00 0.00 H new ATOM 0 HB3 MET A 27 53.354 1.635 14.987 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.796 -0.787 13.817 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.470 0.106 15.166 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.769 -2.177 14.484 1.00 0.00 H new ATOM 0 HE2 MET A 27 53.370 -2.228 13.708 1.00 0.00 H new ATOM 0 HE3 MET A 27 53.019 -3.289 15.093 1.00 0.00 H new ATOM 450 N GLN A 28 51.618 2.789 12.543 1.00 0.00 N ATOM 451 CA GLN A 28 50.482 3.686 12.555 1.00 0.00 C ATOM 452 C GLN A 28 49.398 3.074 11.669 1.00 0.00 C ATOM 453 O GLN A 28 48.228 3.448 11.734 1.00 0.00 O ATOM 454 CB GLN A 28 50.919 5.070 12.044 1.00 0.00 C ATOM 455 CG GLN A 28 49.795 5.746 11.255 1.00 0.00 C ATOM 456 CD GLN A 28 48.572 5.945 12.145 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.732 6.110 13.430 1.00 0.00 O flip ATOM 458 NE2 GLN A 28 47.442 5.949 11.657 1.00 0.00 N flip ATOM 0 H GLN A 28 52.410 3.110 11.987 1.00 0.00 H new ATOM 0 HA GLN A 28 50.088 3.818 13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 28 51.205 5.699 12.887 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.800 4.966 11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.137 6.708 10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.530 5.137 10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 28 47.320 5.820 10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 28 46.628 6.081 12.257 1.00 0.00 H new ATOM 467 N GLY A 29 49.817 2.103 10.854 1.00 0.00 N ATOM 468 CA GLY A 29 48.902 1.399 9.956 1.00 0.00 C ATOM 469 C GLY A 29 48.308 0.180 10.653 1.00 0.00 C ATOM 470 O GLY A 29 47.091 -0.005 10.674 1.00 0.00 O ATOM 0 H GLY A 29 50.785 1.787 10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 29 48.104 2.070 9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.432 1.089 9.056 1.00 0.00 H new ATOM 474 N PHE A 30 49.176 -0.632 11.253 1.00 0.00 N ATOM 475 CA PHE A 30 48.726 -1.815 11.986 1.00 0.00 C ATOM 476 C PHE A 30 48.855 -1.547 13.477 1.00 0.00 C ATOM 477 O PHE A 30 49.712 -0.776 13.902 1.00 0.00 O ATOM 478 CB PHE A 30 49.572 -3.052 11.671 1.00 0.00 C ATOM 479 CG PHE A 30 49.624 -3.362 10.190 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.468 -3.418 9.404 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.858 -3.638 9.619 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.573 -3.750 8.044 1.00 0.00 C ATOM 483 CE2 PHE A 30 50.972 -3.965 8.273 1.00 0.00 C ATOM 484 CZ PHE A 30 49.830 -4.024 7.478 1.00 0.00 C ATOM 0 H PHE A 30 50.187 -0.495 11.247 1.00 0.00 H new ATOM 0 HA PHE A 30 47.696 -2.008 11.687 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.585 -2.898 12.042 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.165 -3.911 12.204 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.503 -3.208 9.840 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.746 -3.598 10.232 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.685 -3.795 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 30 51.942 -4.172 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.910 -4.279 6.432 1.00 0.00 H new ATOM 494 N ASP A 31 48.035 -2.216 14.273 1.00 0.00 N ATOM 495 CA ASP A 31 48.106 -2.068 15.712 1.00 0.00 C ATOM 496 C ASP A 31 48.768 -3.309 16.253 1.00 0.00 C ATOM 497 O ASP A 31 48.169 -4.383 16.271 1.00 0.00 O ATOM 498 CB ASP A 31 46.710 -1.902 16.306 1.00 0.00 C ATOM 499 CG ASP A 31 46.806 -1.659 17.809 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.876 -1.092 18.358 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.809 -2.044 18.387 1.00 0.00 O ATOM 0 H ASP A 31 47.317 -2.863 13.946 1.00 0.00 H new ATOM 0 HA ASP A 31 48.677 -1.179 15.979 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.199 -1.067 15.827 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.115 -2.794 16.111 1.00 0.00 H new ATOM 506 N ALA A 32 50.023 -3.183 16.639 1.00 0.00 N ATOM 507 CA ALA A 32 50.742 -4.319 17.107 1.00 0.00 C ATOM 508 C ALA A 32 52.076 -3.890 17.654 1.00 0.00 C ATOM 509 O ALA A 32 52.577 -2.814 17.345 1.00 0.00 O ATOM 510 CB ALA A 32 50.923 -5.288 15.953 1.00 0.00 C ATOM 0 H ALA A 32 50.549 -2.309 16.633 1.00 0.00 H new ATOM 0 HA ALA A 32 50.189 -4.810 17.908 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.473 -6.164 16.297 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.946 -5.596 15.580 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.480 -4.801 15.153 1.00 0.00 H new ATOM 516 N GLU A 33 52.631 -4.729 18.483 1.00 0.00 N ATOM 517 CA GLU A 33 53.894 -4.451 19.096 1.00 0.00 C ATOM 518 C GLU A 33 54.941 -5.365 18.516 1.00 0.00 C ATOM 519 O GLU A 33 55.171 -6.474 18.996 1.00 0.00 O ATOM 520 CB GLU A 33 53.735 -4.666 20.575 1.00 0.00 C ATOM 521 CG GLU A 33 54.389 -3.514 21.319 1.00 0.00 C ATOM 522 CD GLU A 33 54.481 -3.828 22.808 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.320 -3.237 23.467 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.710 -4.655 23.268 1.00 0.00 O ATOM 0 H GLU A 33 52.219 -5.623 18.751 1.00 0.00 H new ATOM 0 HA GLU A 33 54.212 -3.425 18.911 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.678 -4.729 20.834 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.192 -5.611 20.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.386 -3.332 20.917 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.813 -2.601 21.168 1.00 0.00 H new ATOM 531 N VAL A 34 55.551 -4.881 17.463 1.00 0.00 N ATOM 532 CA VAL A 34 56.568 -5.648 16.766 1.00 0.00 C ATOM 533 C VAL A 34 57.888 -5.591 17.511 1.00 0.00 C ATOM 534 O VAL A 34 58.440 -4.512 17.725 1.00 0.00 O ATOM 535 CB VAL A 34 56.800 -5.100 15.357 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.530 -6.162 14.532 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.474 -4.733 14.684 1.00 0.00 C ATOM 0 H VAL A 34 55.365 -3.960 17.065 1.00 0.00 H new ATOM 0 HA VAL A 34 56.210 -6.676 16.710 1.00 0.00 H new ATOM 0 HB VAL A 34 57.402 -4.194 15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.702 -5.785 13.524 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.486 -6.393 15.001 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.922 -7.065 14.482 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.669 -4.346 13.684 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.844 -5.620 14.614 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.965 -3.972 15.275 1.00 0.00 H new ATOM 547 N LEU A 35 58.402 -6.755 17.894 1.00 0.00 N ATOM 548 CA LEU A 35 59.671 -6.804 18.601 1.00 0.00 C ATOM 549 C LEU A 35 60.718 -7.527 17.750 1.00 0.00 C ATOM 550 O LEU A 35 60.527 -8.672 17.341 1.00 0.00 O ATOM 551 CB LEU A 35 59.476 -7.503 19.953 1.00 0.00 C ATOM 552 CG LEU A 35 60.818 -7.816 20.640 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.518 -9.009 19.966 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.727 -6.584 20.595 1.00 0.00 C ATOM 0 H LEU A 35 57.966 -7.662 17.729 1.00 0.00 H new ATOM 0 HA LEU A 35 60.029 -5.791 18.784 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.874 -6.870 20.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.920 -8.429 19.806 1.00 0.00 H new ATOM 0 HG LEU A 35 60.617 -8.080 21.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.463 -9.209 20.471 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.879 -9.890 20.031 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.708 -8.775 18.919 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.674 -6.813 21.083 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.911 -6.305 19.557 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.243 -5.756 21.113 1.00 0.00 H new ATOM 566 N LEU A 36 61.812 -6.829 17.476 1.00 0.00 N ATOM 567 CA LEU A 36 62.905 -7.361 16.660 1.00 0.00 C ATOM 568 C LEU A 36 64.104 -7.758 17.516 1.00 0.00 C ATOM 569 O LEU A 36 64.606 -6.951 18.290 1.00 0.00 O ATOM 570 CB LEU A 36 63.359 -6.275 15.691 1.00 0.00 C ATOM 571 CG LEU A 36 62.468 -6.277 14.450 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.997 -6.231 14.867 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.787 -5.046 13.609 1.00 0.00 C ATOM 0 H LEU A 36 61.971 -5.879 17.811 1.00 0.00 H new ATOM 0 HA LEU A 36 62.540 -8.245 16.137 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.317 -5.301 16.178 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.397 -6.443 15.404 1.00 0.00 H new ATOM 0 HG LEU A 36 62.651 -7.184 13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.367 -6.233 13.978 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.765 -7.103 15.478 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.810 -5.324 15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.156 -5.039 12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.599 -4.146 14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.835 -5.072 13.309 1.00 0.00 H new ATOM 585 N ARG A 37 64.583 -8.990 17.354 1.00 0.00 N ATOM 586 CA ARG A 37 65.738 -9.444 18.093 1.00 0.00 C ATOM 587 C ARG A 37 66.542 -10.424 17.268 1.00 0.00 C ATOM 588 O ARG A 37 66.036 -11.019 16.324 1.00 0.00 O ATOM 589 CB ARG A 37 65.320 -10.121 19.384 1.00 0.00 C ATOM 590 CG ARG A 37 64.379 -11.270 19.075 1.00 0.00 C ATOM 591 CD ARG A 37 63.861 -11.888 20.378 1.00 0.00 C ATOM 592 NE ARG A 37 64.835 -12.834 20.909 1.00 0.00 N ATOM 593 CZ ARG A 37 64.763 -13.262 22.165 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.647 -14.109 22.618 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.807 -12.837 22.946 1.00 0.00 N ATOM 0 H ARG A 37 64.185 -9.682 16.719 1.00 0.00 H new ATOM 0 HA ARG A 37 66.347 -8.570 18.324 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.198 -10.490 19.914 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.829 -9.403 20.041 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.542 -10.914 18.474 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.897 -12.026 18.485 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.669 -11.103 21.110 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.913 -12.394 20.197 1.00 0.00 H new ATOM 0 HE ARG A 37 65.585 -13.173 20.306 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.393 -14.442 22.008 1.00 0.00 H new ATOM 0 HH12 ARG A 37 65.591 -14.437 23.582 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.115 -12.176 22.592 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.752 -13.166 23.910 1.00 0.00 H new ATOM 609 N ASN A 38 67.789 -10.603 17.654 1.00 0.00 N ATOM 610 CA ASN A 38 68.666 -11.537 16.961 1.00 0.00 C ATOM 611 C ASN A 38 68.774 -12.832 17.735 1.00 0.00 C ATOM 612 O ASN A 38 68.985 -12.812 18.954 1.00 0.00 O ATOM 613 CB ASN A 38 70.079 -10.998 16.848 1.00 0.00 C ATOM 614 CG ASN A 38 70.169 -9.819 15.911 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.018 -8.880 16.195 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.467 -9.751 14.904 1.00 0.00 N flip ATOM 0 H ASN A 38 68.221 -10.118 18.441 1.00 0.00 H new ATOM 0 HA ASN A 38 68.232 -11.689 15.973 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.433 -10.702 17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.741 -11.790 16.497 1.00 0.00 H new ATOM 0 HD21 ASN A 38 68.804 -10.497 14.693 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.548 -8.949 14.279 1.00 0.00 H new ATOM 623 N ASP A 39 68.699 -13.947 17.017 1.00 0.00 N ATOM 624 CA ASP A 39 68.848 -15.249 17.651 1.00 0.00 C ATOM 625 C ASP A 39 70.132 -15.250 18.468 1.00 0.00 C ATOM 626 O ASP A 39 70.394 -16.162 19.252 1.00 0.00 O ATOM 627 CB ASP A 39 68.906 -16.351 16.592 1.00 0.00 C ATOM 628 CG ASP A 39 69.180 -17.697 17.255 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.252 -18.480 17.367 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.315 -17.924 17.640 1.00 0.00 O ATOM 0 H ASP A 39 68.538 -13.976 16.010 1.00 0.00 H new ATOM 0 HA ASP A 39 67.993 -15.439 18.300 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.964 -16.391 16.045 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.688 -16.128 15.866 1.00 0.00 H new ATOM 635 N GLU A 40 70.920 -14.195 18.275 1.00 0.00 N ATOM 636 CA GLU A 40 72.178 -14.028 18.986 1.00 0.00 C ATOM 637 C GLU A 40 71.906 -13.610 20.419 1.00 0.00 C ATOM 638 O GLU A 40 72.751 -13.767 21.300 1.00 0.00 O ATOM 639 CB GLU A 40 72.992 -12.916 18.316 1.00 0.00 C ATOM 640 CG GLU A 40 73.642 -13.412 17.020 1.00 0.00 C ATOM 641 CD GLU A 40 74.339 -14.751 17.241 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.117 -15.650 16.447 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.086 -14.856 18.200 1.00 0.00 O ATOM 0 H GLU A 40 70.704 -13.439 17.626 1.00 0.00 H new ATOM 0 HA GLU A 40 72.724 -14.971 18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.344 -12.067 18.099 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.763 -12.562 19.001 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.884 -13.516 16.244 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.363 -12.676 16.665 1.00 0.00 H new ATOM 650 N GLY A 41 70.724 -13.053 20.631 1.00 0.00 N ATOM 651 CA GLY A 41 70.334 -12.578 21.946 1.00 0.00 C ATOM 652 C GLY A 41 70.139 -11.070 21.912 1.00 0.00 C ATOM 653 O GLY A 41 69.823 -10.453 22.929 1.00 0.00 O ATOM 0 H GLY A 41 70.018 -12.919 19.907 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.412 -13.066 22.260 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.098 -12.839 22.678 1.00 0.00 H new ATOM 657 N THR A 42 70.314 -10.475 20.728 1.00 0.00 N ATOM 658 CA THR A 42 70.129 -9.024 20.600 1.00 0.00 C ATOM 659 C THR A 42 68.640 -8.724 20.504 1.00 0.00 C ATOM 660 O THR A 42 67.899 -9.461 19.863 1.00 0.00 O ATOM 661 CB THR A 42 70.888 -8.461 19.377 1.00 0.00 C ATOM 662 OG1 THR A 42 71.954 -7.640 19.833 1.00 0.00 O ATOM 663 CG2 THR A 42 69.956 -7.622 18.490 1.00 0.00 C ATOM 0 H THR A 42 70.576 -10.957 19.868 1.00 0.00 H new ATOM 0 HA THR A 42 70.544 -8.534 21.481 1.00 0.00 H new ATOM 0 HB THR A 42 71.270 -9.296 18.789 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.442 -7.280 19.063 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.515 -7.238 17.637 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.134 -8.244 18.135 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.557 -6.788 19.068 1.00 0.00 H new ATOM 671 N GLU A 43 68.207 -7.650 21.155 1.00 0.00 N ATOM 672 CA GLU A 43 66.791 -7.282 21.149 1.00 0.00 C ATOM 673 C GLU A 43 66.590 -5.859 20.649 1.00 0.00 C ATOM 674 O GLU A 43 67.317 -4.944 21.037 1.00 0.00 O ATOM 675 CB GLU A 43 66.214 -7.417 22.561 1.00 0.00 C ATOM 676 CG GLU A 43 67.200 -6.838 23.578 1.00 0.00 C ATOM 677 CD GLU A 43 66.626 -6.957 24.985 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.771 -6.014 25.745 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.049 -7.990 25.283 1.00 0.00 O ATOM 0 H GLU A 43 68.808 -7.022 21.690 1.00 0.00 H new ATOM 0 HA GLU A 43 66.270 -7.958 20.471 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.260 -6.894 22.626 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.018 -8.465 22.786 1.00 0.00 H new ATOM 0 HG2 GLU A 43 68.151 -7.368 23.518 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.403 -5.792 23.346 1.00 0.00 H new ATOM 686 N ALA A 44 65.598 -5.681 19.777 1.00 0.00 N ATOM 687 CA ALA A 44 65.312 -4.368 19.221 1.00 0.00 C ATOM 688 C ALA A 44 63.812 -4.101 19.158 1.00 0.00 C ATOM 689 O ALA A 44 63.073 -4.811 18.477 1.00 0.00 O ATOM 690 CB ALA A 44 65.883 -4.282 17.809 1.00 0.00 C ATOM 0 H ALA A 44 64.986 -6.426 19.445 1.00 0.00 H new ATOM 0 HA ALA A 44 65.770 -3.622 19.870 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.670 -3.299 17.390 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.961 -4.436 17.843 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.426 -5.050 17.184 1.00 0.00 H new ATOM 696 N GLU A 45 63.380 -3.045 19.832 1.00 0.00 N ATOM 697 CA GLU A 45 61.978 -2.662 19.806 1.00 0.00 C ATOM 698 C GLU A 45 61.685 -1.940 18.505 1.00 0.00 C ATOM 699 O GLU A 45 62.182 -0.838 18.281 1.00 0.00 O ATOM 700 CB GLU A 45 61.664 -1.724 20.977 1.00 0.00 C ATOM 701 CG GLU A 45 60.599 -2.344 21.882 1.00 0.00 C ATOM 702 CD GLU A 45 60.566 -1.616 23.222 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.496 -0.398 23.210 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.610 -2.288 24.239 1.00 0.00 O ATOM 0 H GLU A 45 63.976 -2.443 20.400 1.00 0.00 H new ATOM 0 HA GLU A 45 61.363 -3.558 19.889 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.571 -1.531 21.550 1.00 0.00 H new ATOM 0 HB3 GLU A 45 61.315 -0.763 20.599 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.622 -2.284 21.402 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.813 -3.401 22.038 1.00 0.00 H new ATOM 711 N ALA A 46 60.886 -2.555 17.649 1.00 0.00 N ATOM 712 CA ALA A 46 60.550 -1.937 16.380 1.00 0.00 C ATOM 713 C ALA A 46 60.479 -0.417 16.520 1.00 0.00 C ATOM 714 O ALA A 46 61.306 0.300 15.970 1.00 0.00 O ATOM 715 CB ALA A 46 59.208 -2.477 15.895 1.00 0.00 C ATOM 0 H ALA A 46 60.463 -3.470 17.807 1.00 0.00 H new ATOM 0 HA ALA A 46 61.327 -2.177 15.654 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.953 -2.014 14.942 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.275 -3.557 15.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.436 -2.245 16.629 1.00 0.00 H new ATOM 721 N ASN A 47 59.483 0.058 17.254 1.00 0.00 N ATOM 722 CA ASN A 47 59.284 1.495 17.455 1.00 0.00 C ATOM 723 C ASN A 47 60.561 2.240 17.876 1.00 0.00 C ATOM 724 O ASN A 47 60.472 3.320 18.460 1.00 0.00 O ATOM 725 CB ASN A 47 58.205 1.715 18.516 1.00 0.00 C ATOM 726 CG ASN A 47 57.691 3.149 18.450 1.00 0.00 C ATOM 727 OD1 ASN A 47 56.734 3.433 17.729 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.271 4.075 19.163 1.00 0.00 N ATOM 0 H ASN A 47 58.795 -0.530 17.724 1.00 0.00 H new ATOM 0 HA ASN A 47 58.981 1.904 16.491 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.382 1.018 18.359 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.611 1.511 19.507 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.932 5.036 19.124 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.064 3.838 19.760 1.00 0.00 H new ATOM 735 N SER A 48 61.743 1.696 17.577 1.00 0.00 N ATOM 736 CA SER A 48 62.983 2.375 17.939 1.00 0.00 C ATOM 737 C SER A 48 64.038 2.185 16.851 1.00 0.00 C ATOM 738 O SER A 48 64.225 1.080 16.344 1.00 0.00 O ATOM 739 CB SER A 48 63.508 1.832 19.270 1.00 0.00 C ATOM 740 OG SER A 48 63.182 2.745 20.310 1.00 0.00 O ATOM 0 H SER A 48 61.865 0.805 17.095 1.00 0.00 H new ATOM 0 HA SER A 48 62.775 3.440 18.041 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.069 0.856 19.476 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.588 1.692 19.218 1.00 0.00 H new ATOM 0 HG SER A 48 63.515 2.400 21.165 1.00 0.00 H new ATOM 746 N VAL A 49 64.729 3.267 16.501 1.00 0.00 N ATOM 747 CA VAL A 49 65.769 3.195 15.480 1.00 0.00 C ATOM 748 C VAL A 49 67.015 2.549 16.063 1.00 0.00 C ATOM 749 O VAL A 49 67.708 1.790 15.385 1.00 0.00 O ATOM 750 CB VAL A 49 66.099 4.593 14.958 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.787 4.483 13.596 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.803 5.395 14.813 1.00 0.00 C ATOM 0 H VAL A 49 64.590 4.194 16.904 1.00 0.00 H new ATOM 0 HA VAL A 49 65.407 2.591 14.648 1.00 0.00 H new ATOM 0 HB VAL A 49 66.766 5.097 15.658 1.00 0.00 H new ATOM 0 HG11 VAL A 49 67.022 5.481 13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.707 3.908 13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 49 66.123 3.981 12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.033 6.393 14.441 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.139 4.890 14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.313 5.473 15.784 1.00 0.00 H new ATOM 762 N ILE A 50 67.273 2.821 17.337 1.00 0.00 N ATOM 763 CA ILE A 50 68.396 2.235 18.013 1.00 0.00 C ATOM 764 C ILE A 50 68.276 0.733 17.858 1.00 0.00 C ATOM 765 O ILE A 50 69.254 0.020 17.634 1.00 0.00 O ATOM 766 CB ILE A 50 68.315 2.665 19.480 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.629 3.316 19.909 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.994 1.481 20.381 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.801 2.358 19.662 1.00 0.00 C ATOM 0 H ILE A 50 66.711 3.447 17.913 1.00 0.00 H new ATOM 0 HA ILE A 50 69.357 2.553 17.608 1.00 0.00 H new ATOM 0 HB ILE A 50 67.509 3.392 19.578 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.783 4.241 19.354 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.584 3.582 20.965 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.943 1.816 21.417 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.035 1.052 20.090 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.774 0.726 20.282 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.731 2.834 19.972 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.652 1.444 20.237 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.854 2.114 18.601 1.00 0.00 H new ATOM 781 N ALA A 51 67.035 0.287 17.952 1.00 0.00 N ATOM 782 CA ALA A 51 66.701 -1.106 17.797 1.00 0.00 C ATOM 783 C ALA A 51 67.232 -1.600 16.462 1.00 0.00 C ATOM 784 O ALA A 51 68.056 -2.508 16.398 1.00 0.00 O ATOM 785 CB ALA A 51 65.176 -1.246 17.849 1.00 0.00 C ATOM 0 H ALA A 51 66.233 0.888 18.139 1.00 0.00 H new ATOM 0 HA ALA A 51 67.148 -1.701 18.594 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.903 -2.295 17.733 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.809 -0.879 18.808 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.729 -0.664 17.043 1.00 0.00 H new ATOM 791 N LEU A 52 66.768 -0.969 15.396 1.00 0.00 N ATOM 792 CA LEU A 52 67.207 -1.322 14.065 1.00 0.00 C ATOM 793 C LEU A 52 68.733 -1.313 14.008 1.00 0.00 C ATOM 794 O LEU A 52 69.362 -2.283 13.579 1.00 0.00 O ATOM 795 CB LEU A 52 66.638 -0.314 13.061 1.00 0.00 C ATOM 796 CG LEU A 52 65.142 -0.070 13.323 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.617 0.967 12.322 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.346 -1.376 13.164 1.00 0.00 C ATOM 0 H LEU A 52 66.087 -0.210 15.431 1.00 0.00 H new ATOM 0 HA LEU A 52 66.850 -2.321 13.814 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.183 0.627 13.134 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.779 -0.686 12.046 1.00 0.00 H new ATOM 0 HG LEU A 52 65.018 0.295 14.342 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.557 1.144 12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.166 1.901 12.443 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.754 0.595 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.290 -1.184 13.353 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.470 -1.756 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.713 -2.115 13.876 1.00 0.00 H new ATOM 810 N LEU A 53 69.318 -0.211 14.457 1.00 0.00 N ATOM 811 CA LEU A 53 70.768 -0.075 14.469 1.00 0.00 C ATOM 812 C LEU A 53 71.396 -1.171 15.329 1.00 0.00 C ATOM 813 O LEU A 53 72.465 -1.691 15.012 1.00 0.00 O ATOM 814 CB LEU A 53 71.141 1.303 15.031 1.00 0.00 C ATOM 815 CG LEU A 53 72.423 1.832 14.368 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.548 0.804 14.521 1.00 0.00 C ATOM 817 CD2 LEU A 53 72.172 2.107 12.876 1.00 0.00 C ATOM 0 H LEU A 53 68.813 0.599 14.817 1.00 0.00 H new ATOM 0 HA LEU A 53 71.146 -0.172 13.451 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.323 2.003 14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.285 1.235 16.109 1.00 0.00 H new ATOM 0 HG LEU A 53 72.715 2.762 14.856 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.454 1.184 14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.737 0.626 15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.254 -0.131 14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.087 2.481 12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.869 1.184 12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 53 71.382 2.851 12.771 1.00 0.00 H new ATOM 829 N MET A 54 70.724 -1.505 16.425 1.00 0.00 N ATOM 830 CA MET A 54 71.223 -2.530 17.339 1.00 0.00 C ATOM 831 C MET A 54 71.413 -3.869 16.628 1.00 0.00 C ATOM 832 O MET A 54 72.372 -4.589 16.905 1.00 0.00 O ATOM 833 CB MET A 54 70.253 -2.708 18.510 1.00 0.00 C ATOM 834 CG MET A 54 70.870 -3.648 19.549 1.00 0.00 C ATOM 835 SD MET A 54 69.921 -3.549 21.087 1.00 0.00 S ATOM 836 CE MET A 54 71.088 -4.452 22.134 1.00 0.00 C ATOM 0 H MET A 54 69.837 -1.085 16.703 1.00 0.00 H new ATOM 0 HA MET A 54 72.193 -2.198 17.711 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.034 -1.742 18.964 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.307 -3.115 18.153 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.871 -4.672 19.174 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.909 -3.374 19.732 1.00 0.00 H new ATOM 0 HE1 MET A 54 70.695 -4.512 23.149 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.228 -5.458 21.739 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.045 -3.931 22.145 1.00 0.00 H new ATOM 846 N LEU A 55 70.500 -4.209 15.720 1.00 0.00 N ATOM 847 CA LEU A 55 70.605 -5.477 15.001 1.00 0.00 C ATOM 848 C LEU A 55 71.584 -5.356 13.840 1.00 0.00 C ATOM 849 O LEU A 55 71.963 -6.353 13.235 1.00 0.00 O ATOM 850 CB LEU A 55 69.241 -5.929 14.465 1.00 0.00 C ATOM 851 CG LEU A 55 68.107 -5.531 15.430 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.852 -5.165 14.624 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.786 -6.700 16.378 1.00 0.00 C ATOM 0 H LEU A 55 69.694 -3.637 15.468 1.00 0.00 H new ATOM 0 HA LEU A 55 70.969 -6.222 15.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.064 -5.481 13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.242 -7.010 14.325 1.00 0.00 H new ATOM 0 HG LEU A 55 68.427 -4.672 16.020 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.050 -4.884 15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.076 -4.328 13.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.538 -6.023 14.030 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.984 -6.409 17.056 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.472 -7.566 15.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.675 -6.954 16.956 1.00 0.00 H new ATOM 865 N ASP A 56 71.987 -4.130 13.535 1.00 0.00 N ATOM 866 CA ASP A 56 72.926 -3.893 12.447 1.00 0.00 C ATOM 867 C ASP A 56 74.049 -4.907 12.521 1.00 0.00 C ATOM 868 O ASP A 56 74.475 -5.456 11.505 1.00 0.00 O ATOM 869 CB ASP A 56 73.496 -2.477 12.537 1.00 0.00 C ATOM 870 CG ASP A 56 74.403 -2.203 11.341 1.00 0.00 C ATOM 871 OD1 ASP A 56 75.424 -2.863 11.233 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.064 -1.337 10.552 1.00 0.00 O ATOM 0 H ASP A 56 71.680 -3.288 14.023 1.00 0.00 H new ATOM 0 HA ASP A 56 72.404 -3.998 11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.684 -1.750 12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.057 -2.360 13.464 1.00 0.00 H new ATOM 877 N SER A 57 74.503 -5.183 13.738 1.00 0.00 N ATOM 878 CA SER A 57 75.547 -6.170 13.925 1.00 0.00 C ATOM 879 C SER A 57 75.085 -7.474 13.298 1.00 0.00 C ATOM 880 O SER A 57 75.861 -8.417 13.143 1.00 0.00 O ATOM 881 CB SER A 57 75.825 -6.377 15.415 1.00 0.00 C ATOM 882 OG SER A 57 76.403 -5.195 15.954 1.00 0.00 O ATOM 0 H SER A 57 74.168 -4.742 14.595 1.00 0.00 H new ATOM 0 HA SER A 57 76.468 -5.828 13.453 1.00 0.00 H new ATOM 0 HB2 SER A 57 74.900 -6.615 15.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.498 -7.222 15.557 1.00 0.00 H new ATOM 0 HG SER A 57 76.581 -5.324 16.909 1.00 0.00 H new ATOM 888 N ALA A 58 73.801 -7.503 12.932 1.00 0.00 N ATOM 889 CA ALA A 58 73.210 -8.687 12.304 1.00 0.00 C ATOM 890 C ALA A 58 74.231 -9.366 11.387 1.00 0.00 C ATOM 891 O ALA A 58 74.973 -10.253 11.805 1.00 0.00 O ATOM 892 CB ALA A 58 71.975 -8.282 11.494 1.00 0.00 C ATOM 0 H ALA A 58 73.154 -6.725 13.059 1.00 0.00 H new ATOM 0 HA ALA A 58 72.916 -9.389 13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.539 -9.166 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.241 -7.821 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.264 -7.570 10.721 1.00 0.00 H new ATOM 898 N LYS A 59 74.281 -8.921 10.142 1.00 0.00 N ATOM 899 CA LYS A 59 75.228 -9.459 9.181 1.00 0.00 C ATOM 900 C LYS A 59 75.253 -10.988 9.181 1.00 0.00 C ATOM 901 O LYS A 59 76.238 -11.598 9.595 1.00 0.00 O ATOM 902 CB LYS A 59 76.622 -8.931 9.508 1.00 0.00 C ATOM 903 CG LYS A 59 76.702 -7.432 9.195 1.00 0.00 C ATOM 904 CD LYS A 59 78.168 -7.012 9.065 1.00 0.00 C ATOM 905 CE LYS A 59 78.885 -7.221 10.401 1.00 0.00 C ATOM 906 NZ LYS A 59 78.088 -6.601 11.496 1.00 0.00 N ATOM 0 H LYS A 59 73.676 -8.187 9.773 1.00 0.00 H new ATOM 0 HA LYS A 59 74.913 -9.138 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.848 -9.104 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.370 -9.472 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.168 -7.214 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.218 -6.859 9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.656 -7.596 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.231 -5.965 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.018 -8.286 10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.880 -6.777 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 78.719 -6.344 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.614 -5.747 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.374 -7.279 11.832 1.00 0.00 H new ATOM 920 N GLY A 60 74.182 -11.600 8.685 1.00 0.00 N ATOM 921 CA GLY A 60 74.116 -13.060 8.602 1.00 0.00 C ATOM 922 C GLY A 60 73.393 -13.675 9.795 1.00 0.00 C ATOM 923 O GLY A 60 72.908 -14.804 9.717 1.00 0.00 O ATOM 0 H GLY A 60 73.354 -11.116 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.605 -13.347 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.127 -13.465 8.544 1.00 0.00 H new ATOM 927 N ARG A 61 73.321 -12.940 10.897 1.00 0.00 N ATOM 928 CA ARG A 61 72.655 -13.442 12.083 1.00 0.00 C ATOM 929 C ARG A 61 71.170 -13.613 11.809 1.00 0.00 C ATOM 930 O ARG A 61 70.649 -13.084 10.829 1.00 0.00 O ATOM 931 CB ARG A 61 72.877 -12.470 13.242 1.00 0.00 C ATOM 932 CG ARG A 61 74.361 -12.481 13.612 1.00 0.00 C ATOM 933 CD ARG A 61 74.715 -11.258 14.467 1.00 0.00 C ATOM 934 NE ARG A 61 73.657 -10.959 15.419 1.00 0.00 N ATOM 935 CZ ARG A 61 73.891 -10.174 16.466 1.00 0.00 C ATOM 936 NH1 ARG A 61 72.943 -9.929 17.323 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.073 -9.648 16.634 1.00 0.00 N ATOM 0 H ARG A 61 73.713 -12.003 10.991 1.00 0.00 H new ATOM 0 HA ARG A 61 73.071 -14.413 12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.566 -11.465 12.957 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.271 -12.760 14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.598 -13.394 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.967 -12.485 12.706 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.647 -11.442 15.001 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.882 -10.396 13.822 1.00 0.00 H new ATOM 0 HE ARG A 61 72.727 -11.355 15.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 72.018 -10.340 17.192 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.124 -9.326 18.126 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.816 -9.839 15.962 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.254 -9.046 17.437 1.00 0.00 H new ATOM 951 N GLN A 62 70.493 -14.355 12.671 1.00 0.00 N ATOM 952 CA GLN A 62 69.067 -14.583 12.497 1.00 0.00 C ATOM 953 C GLN A 62 68.284 -13.702 13.441 1.00 0.00 C ATOM 954 O GLN A 62 68.633 -13.558 14.612 1.00 0.00 O ATOM 955 CB GLN A 62 68.720 -16.050 12.759 1.00 0.00 C ATOM 956 CG GLN A 62 69.829 -16.932 12.198 1.00 0.00 C ATOM 957 CD GLN A 62 69.327 -18.361 12.023 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.193 -18.839 10.896 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.041 -19.076 13.076 1.00 0.00 N ATOM 0 H GLN A 62 70.902 -14.805 13.490 1.00 0.00 H new ATOM 0 HA GLN A 62 68.803 -14.337 11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.606 -16.224 13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 62 67.768 -16.300 12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.168 -16.538 11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.688 -16.920 12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.153 -18.678 14.008 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.706 -20.033 12.967 1.00 0.00 H new ATOM 968 N ILE A 63 67.221 -13.117 12.925 1.00 0.00 N ATOM 969 CA ILE A 63 66.386 -12.254 13.720 1.00 0.00 C ATOM 970 C ILE A 63 65.122 -12.969 14.099 1.00 0.00 C ATOM 971 O ILE A 63 64.581 -13.754 13.330 1.00 0.00 O ATOM 972 CB ILE A 63 66.036 -11.004 12.935 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.297 -10.021 13.844 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.142 -11.373 11.747 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.300 -9.094 14.521 1.00 0.00 C ATOM 0 H ILE A 63 66.919 -13.227 11.957 1.00 0.00 H new ATOM 0 HA ILE A 63 66.931 -11.976 14.622 1.00 0.00 H new ATOM 0 HB ILE A 63 66.952 -10.542 12.567 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.584 -9.438 13.261 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.725 -10.565 14.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.893 -10.472 11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.670 -12.071 11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.226 -11.838 12.112 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.770 -8.395 15.168 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.996 -9.684 15.117 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.852 -8.539 13.762 1.00 0.00 H new ATOM 987 N GLU A 64 64.651 -12.656 15.280 1.00 0.00 N ATOM 988 CA GLU A 64 63.426 -13.229 15.784 1.00 0.00 C ATOM 989 C GLU A 64 62.402 -12.121 15.845 1.00 0.00 C ATOM 990 O GLU A 64 62.437 -11.273 16.736 1.00 0.00 O ATOM 991 CB GLU A 64 63.666 -13.845 17.170 1.00 0.00 C ATOM 992 CG GLU A 64 63.097 -15.264 17.230 1.00 0.00 C ATOM 993 CD GLU A 64 61.574 -15.216 17.277 1.00 0.00 C ATOM 994 OE1 GLU A 64 60.955 -16.033 16.616 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.049 -14.363 17.973 1.00 0.00 O ATOM 0 H GLU A 64 65.103 -12.000 15.917 1.00 0.00 H new ATOM 0 HA GLU A 64 63.068 -14.028 15.134 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.734 -13.866 17.386 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.198 -13.226 17.936 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.424 -15.832 16.359 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.480 -15.781 18.110 1.00 0.00 H new ATOM 1002 N VAL A 65 61.507 -12.103 14.872 1.00 0.00 N ATOM 1003 CA VAL A 65 60.510 -11.071 14.828 1.00 0.00 C ATOM 1004 C VAL A 65 59.355 -11.448 15.712 1.00 0.00 C ATOM 1005 O VAL A 65 58.954 -12.604 15.733 1.00 0.00 O ATOM 1006 CB VAL A 65 60.013 -10.906 13.396 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.132 -12.099 13.004 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.204 -9.617 13.302 1.00 0.00 C ATOM 0 H VAL A 65 61.457 -12.786 14.116 1.00 0.00 H new ATOM 0 HA VAL A 65 60.945 -10.134 15.176 1.00 0.00 H new ATOM 0 HB VAL A 65 60.864 -10.862 12.716 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.782 -11.972 11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.712 -13.019 13.078 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.275 -12.155 13.676 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.843 -9.488 12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.355 -9.670 13.984 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.835 -8.771 13.573 1.00 0.00 H new ATOM 1018 N GLU A 66 58.804 -10.485 16.425 1.00 0.00 N ATOM 1019 CA GLU A 66 57.658 -10.781 17.256 1.00 0.00 C ATOM 1020 C GLU A 66 56.705 -9.592 17.315 1.00 0.00 C ATOM 1021 O GLU A 66 57.058 -8.546 17.850 1.00 0.00 O ATOM 1022 CB GLU A 66 58.076 -11.164 18.672 1.00 0.00 C ATOM 1023 CG GLU A 66 56.825 -11.225 19.556 1.00 0.00 C ATOM 1024 CD GLU A 66 57.127 -11.991 20.839 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.156 -13.210 20.785 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.327 -11.349 21.857 1.00 0.00 O ATOM 0 H GLU A 66 59.122 -9.516 16.446 1.00 0.00 H new ATOM 0 HA GLU A 66 57.147 -11.630 16.802 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.583 -12.129 18.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.783 -10.434 19.067 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.490 -10.216 19.796 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.012 -11.711 19.016 1.00 0.00 H new ATOM 1033 N ALA A 67 55.488 -9.757 16.801 1.00 0.00 N ATOM 1034 CA ALA A 67 54.511 -8.674 16.853 1.00 0.00 C ATOM 1035 C ALA A 67 53.322 -9.105 17.691 1.00 0.00 C ATOM 1036 O ALA A 67 53.041 -10.297 17.806 1.00 0.00 O ATOM 1037 CB ALA A 67 54.070 -8.278 15.446 1.00 0.00 C ATOM 0 H ALA A 67 55.160 -10.612 16.352 1.00 0.00 H new ATOM 0 HA ALA A 67 54.971 -7.800 17.314 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.342 -7.469 15.507 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.936 -7.944 14.874 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.617 -9.137 14.951 1.00 0.00 H new ATOM 1043 N THR A 68 52.645 -8.143 18.313 1.00 0.00 N ATOM 1044 CA THR A 68 51.520 -8.484 19.164 1.00 0.00 C ATOM 1045 C THR A 68 50.471 -7.373 19.219 1.00 0.00 C ATOM 1046 O THR A 68 50.638 -6.377 19.924 1.00 0.00 O ATOM 1047 CB THR A 68 52.031 -8.746 20.577 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.997 -9.786 20.548 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.863 -9.150 21.468 1.00 0.00 C ATOM 0 H THR A 68 52.852 -7.147 18.244 1.00 0.00 H new ATOM 0 HA THR A 68 51.044 -9.370 18.742 1.00 0.00 H new ATOM 0 HB THR A 68 52.492 -7.842 20.973 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.326 -9.952 21.456 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.225 -9.338 22.479 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.127 -8.346 21.490 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.401 -10.055 21.074 1.00 0.00 H new ATOM 1057 N GLY A 69 49.379 -7.572 18.493 1.00 0.00 N ATOM 1058 CA GLY A 69 48.279 -6.611 18.476 1.00 0.00 C ATOM 1059 C GLY A 69 47.249 -6.984 17.414 1.00 0.00 C ATOM 1060 O GLY A 69 47.391 -7.980 16.715 1.00 0.00 O ATOM 0 H GLY A 69 49.229 -8.392 17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.803 -6.580 19.456 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.666 -5.612 18.278 1.00 0.00 H new ATOM 1064 N PRO A 70 46.219 -6.207 17.283 1.00 0.00 N ATOM 1065 CA PRO A 70 45.150 -6.458 16.279 1.00 0.00 C ATOM 1066 C PRO A 70 45.689 -6.893 14.919 1.00 0.00 C ATOM 1067 O PRO A 70 45.221 -7.876 14.343 1.00 0.00 O ATOM 1068 CB PRO A 70 44.465 -5.103 16.174 1.00 0.00 C ATOM 1069 CG PRO A 70 44.587 -4.521 17.541 1.00 0.00 C ATOM 1070 CD PRO A 70 45.938 -5.000 18.082 1.00 0.00 C ATOM 0 HA PRO A 70 44.494 -7.275 16.580 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.947 -4.471 15.428 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.421 -5.207 15.878 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.543 -3.432 17.507 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.770 -4.853 18.181 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.713 -4.244 17.954 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.887 -5.226 19.147 1.00 0.00 H new ATOM 1078 N GLN A 71 46.648 -6.136 14.397 1.00 0.00 N ATOM 1079 CA GLN A 71 47.212 -6.440 13.073 1.00 0.00 C ATOM 1080 C GLN A 71 48.731 -6.652 13.111 1.00 0.00 C ATOM 1081 O GLN A 71 49.458 -6.148 12.255 1.00 0.00 O ATOM 1082 CB GLN A 71 46.869 -5.299 12.110 1.00 0.00 C ATOM 1083 CG GLN A 71 45.411 -5.438 11.641 1.00 0.00 C ATOM 1084 CD GLN A 71 44.773 -4.059 11.489 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.538 -3.012 11.355 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 43.549 -3.936 11.493 1.00 0.00 N flip ATOM 0 H GLN A 71 47.050 -5.319 14.856 1.00 0.00 H new ATOM 0 HA GLN A 71 46.771 -7.377 12.732 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.012 -4.338 12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.541 -5.320 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.376 -5.970 10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.845 -6.032 12.359 1.00 0.00 H new ATOM 0 HE21 GLN A 71 42.954 -4.758 11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.129 -3.012 11.391 1.00 0.00 H new ATOM 1095 N GLU A 72 49.198 -7.417 14.088 1.00 0.00 N ATOM 1096 CA GLU A 72 50.624 -7.715 14.220 1.00 0.00 C ATOM 1097 C GLU A 72 51.130 -8.501 13.029 1.00 0.00 C ATOM 1098 O GLU A 72 52.248 -8.291 12.564 1.00 0.00 O ATOM 1099 CB GLU A 72 50.849 -8.527 15.503 1.00 0.00 C ATOM 1100 CG GLU A 72 49.576 -9.290 15.842 1.00 0.00 C ATOM 1101 CD GLU A 72 49.878 -10.433 16.800 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.954 -10.892 17.451 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.026 -10.827 16.872 1.00 0.00 O ATOM 0 H GLU A 72 48.611 -7.845 14.804 1.00 0.00 H new ATOM 0 HA GLU A 72 51.174 -6.775 14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.678 -9.221 15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.120 -7.864 16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.849 -8.614 16.291 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.126 -9.682 14.930 1.00 0.00 H new ATOM 1110 N GLU A 73 50.309 -9.404 12.544 1.00 0.00 N ATOM 1111 CA GLU A 73 50.698 -10.218 11.410 1.00 0.00 C ATOM 1112 C GLU A 73 51.026 -9.333 10.218 1.00 0.00 C ATOM 1113 O GLU A 73 52.156 -9.313 9.747 1.00 0.00 O ATOM 1114 CB GLU A 73 49.572 -11.190 11.046 1.00 0.00 C ATOM 1115 CG GLU A 73 49.325 -12.157 12.217 1.00 0.00 C ATOM 1116 CD GLU A 73 49.246 -13.599 11.715 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.529 -14.493 12.495 1.00 0.00 O ATOM 1118 OE2 GLU A 73 48.899 -13.787 10.560 1.00 0.00 O ATOM 0 H GLU A 73 49.376 -9.594 12.911 1.00 0.00 H new ATOM 0 HA GLU A 73 51.585 -10.791 11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.660 -10.637 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.837 -11.750 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.128 -12.064 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.398 -11.892 12.726 1.00 0.00 H new ATOM 1125 N GLU A 74 50.040 -8.583 9.750 1.00 0.00 N ATOM 1126 CA GLU A 74 50.250 -7.692 8.616 1.00 0.00 C ATOM 1127 C GLU A 74 51.523 -6.879 8.815 1.00 0.00 C ATOM 1128 O GLU A 74 52.261 -6.602 7.872 1.00 0.00 O ATOM 1129 CB GLU A 74 49.057 -6.743 8.488 1.00 0.00 C ATOM 1130 CG GLU A 74 47.781 -7.455 8.940 1.00 0.00 C ATOM 1131 CD GLU A 74 46.555 -6.737 8.386 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.696 -7.409 7.841 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.495 -5.525 8.514 1.00 0.00 O ATOM 0 H GLU A 74 49.095 -8.572 10.133 1.00 0.00 H new ATOM 0 HA GLU A 74 50.347 -8.289 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.222 -5.852 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.953 -6.411 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.792 -8.490 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.736 -7.481 10.029 1.00 0.00 H new ATOM 1140 N ALA A 75 51.746 -6.492 10.058 1.00 0.00 N ATOM 1141 CA ALA A 75 52.907 -5.687 10.426 1.00 0.00 C ATOM 1142 C ALA A 75 54.191 -6.496 10.396 1.00 0.00 C ATOM 1143 O ALA A 75 55.105 -6.174 9.650 1.00 0.00 O ATOM 1144 CB ALA A 75 52.680 -5.105 11.837 1.00 0.00 C ATOM 0 H ALA A 75 51.134 -6.723 10.840 1.00 0.00 H new ATOM 0 HA ALA A 75 53.016 -4.884 9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.541 -4.501 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.785 -4.483 11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.554 -5.919 12.550 1.00 0.00 H new ATOM 1150 N LEU A 76 54.244 -7.541 11.195 1.00 0.00 N ATOM 1151 CA LEU A 76 55.414 -8.404 11.261 1.00 0.00 C ATOM 1152 C LEU A 76 55.551 -9.198 9.970 1.00 0.00 C ATOM 1153 O LEU A 76 56.653 -9.515 9.530 1.00 0.00 O ATOM 1154 CB LEU A 76 55.225 -9.324 12.471 1.00 0.00 C ATOM 1155 CG LEU A 76 55.811 -10.720 12.247 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.916 -11.410 13.610 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.898 -11.551 11.324 1.00 0.00 C ATOM 0 H LEU A 76 53.484 -7.819 11.816 1.00 0.00 H new ATOM 0 HA LEU A 76 56.330 -7.825 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.697 -8.872 13.344 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.162 -9.412 12.693 1.00 0.00 H new ATOM 0 HG LEU A 76 56.790 -10.636 11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.332 -12.409 13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.566 -10.828 14.263 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.925 -11.484 14.058 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.332 -12.540 11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.913 -11.651 11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.802 -11.050 10.361 1.00 0.00 H new ATOM 1169 N ALA A 77 54.413 -9.506 9.371 1.00 0.00 N ATOM 1170 CA ALA A 77 54.382 -10.260 8.125 1.00 0.00 C ATOM 1171 C ALA A 77 54.789 -9.377 6.949 1.00 0.00 C ATOM 1172 O ALA A 77 55.241 -9.874 5.916 1.00 0.00 O ATOM 1173 CB ALA A 77 52.963 -10.781 7.893 1.00 0.00 C ATOM 0 H ALA A 77 53.494 -9.245 9.728 1.00 0.00 H new ATOM 0 HA ALA A 77 55.085 -11.090 8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.931 -11.347 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.673 -11.428 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.272 -9.940 7.831 1.00 0.00 H new ATOM 1179 N ALA A 78 54.629 -8.066 7.109 1.00 0.00 N ATOM 1180 CA ALA A 78 54.987 -7.134 6.046 1.00 0.00 C ATOM 1181 C ALA A 78 56.492 -6.905 6.052 1.00 0.00 C ATOM 1182 O ALA A 78 57.128 -6.786 5.000 1.00 0.00 O ATOM 1183 CB ALA A 78 54.243 -5.804 6.235 1.00 0.00 C ATOM 0 H ALA A 78 54.259 -7.630 7.953 1.00 0.00 H new ATOM 0 HA ALA A 78 54.697 -7.558 5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.518 -5.116 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.168 -5.981 6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.514 -5.369 7.197 1.00 0.00 H new ATOM 1189 N VAL A 79 57.064 -6.885 7.249 1.00 0.00 N ATOM 1190 CA VAL A 79 58.496 -6.709 7.390 1.00 0.00 C ATOM 1191 C VAL A 79 59.182 -7.953 6.871 1.00 0.00 C ATOM 1192 O VAL A 79 60.168 -7.891 6.149 1.00 0.00 O ATOM 1193 CB VAL A 79 58.860 -6.511 8.867 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.609 -6.177 9.658 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.468 -7.798 9.420 1.00 0.00 C ATOM 0 H VAL A 79 56.558 -6.988 8.129 1.00 0.00 H new ATOM 0 HA VAL A 79 58.816 -5.832 6.828 1.00 0.00 H new ATOM 0 HB VAL A 79 59.579 -5.696 8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.869 -6.037 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.166 -5.261 9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.893 -6.994 9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.726 -7.657 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.746 -8.609 9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.366 -8.048 8.856 1.00 0.00 H new ATOM 1205 N ILE A 80 58.641 -9.088 7.278 1.00 0.00 N ATOM 1206 CA ILE A 80 59.175 -10.365 6.891 1.00 0.00 C ATOM 1207 C ILE A 80 59.357 -10.405 5.410 1.00 0.00 C ATOM 1208 O ILE A 80 60.472 -10.523 4.926 1.00 0.00 O ATOM 1209 CB ILE A 80 58.222 -11.439 7.376 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.465 -11.585 8.882 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.465 -12.761 6.630 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.232 -12.865 9.179 1.00 0.00 C ATOM 0 H ILE A 80 57.822 -9.142 7.884 1.00 0.00 H new ATOM 0 HA ILE A 80 60.154 -10.536 7.340 1.00 0.00 H new ATOM 0 HB ILE A 80 57.184 -11.168 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.025 -10.725 9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.512 -11.595 9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.770 -13.517 6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.310 -12.610 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.488 -13.094 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.395 -12.951 10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.658 -13.723 8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.194 -12.840 8.667 1.00 0.00 H new ATOM 1224 N ALA A 81 58.278 -10.249 4.685 1.00 0.00 N ATOM 1225 CA ALA A 81 58.399 -10.223 3.251 1.00 0.00 C ATOM 1226 C ALA A 81 59.543 -9.303 2.901 1.00 0.00 C ATOM 1227 O ALA A 81 60.159 -9.423 1.842 1.00 0.00 O ATOM 1228 CB ALA A 81 57.129 -9.697 2.618 1.00 0.00 C ATOM 0 H ALA A 81 57.332 -10.141 5.051 1.00 0.00 H new ATOM 0 HA ALA A 81 58.577 -11.232 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.241 -9.685 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.293 -10.342 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.937 -8.685 2.974 1.00 0.00 H new ATOM 1234 N LEU A 82 59.842 -8.390 3.826 1.00 0.00 N ATOM 1235 CA LEU A 82 60.924 -7.475 3.631 1.00 0.00 C ATOM 1236 C LEU A 82 62.176 -8.073 4.245 1.00 0.00 C ATOM 1237 O LEU A 82 63.235 -8.097 3.616 1.00 0.00 O ATOM 1238 CB LEU A 82 60.531 -6.149 4.262 1.00 0.00 C ATOM 1239 CG LEU A 82 60.229 -5.105 3.172 1.00 0.00 C ATOM 1240 CD1 LEU A 82 59.417 -5.747 2.026 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.412 -3.962 3.788 1.00 0.00 C ATOM 0 H LEU A 82 59.342 -8.279 4.708 1.00 0.00 H new ATOM 0 HA LEU A 82 61.133 -7.297 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.655 -6.286 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.336 -5.792 4.904 1.00 0.00 H new ATOM 0 HG LEU A 82 61.169 -4.725 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 59.210 -4.997 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 82 59.990 -6.564 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 82 58.477 -6.134 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 82 59.193 -3.217 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 82 58.478 -4.357 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.983 -3.499 4.592 1.00 0.00 H new ATOM 1253 N PHE A 83 62.039 -8.617 5.450 1.00 0.00 N ATOM 1254 CA PHE A 83 63.165 -9.273 6.075 1.00 0.00 C ATOM 1255 C PHE A 83 63.576 -10.396 5.147 1.00 0.00 C ATOM 1256 O PHE A 83 64.755 -10.716 4.988 1.00 0.00 O ATOM 1257 CB PHE A 83 62.804 -9.840 7.442 1.00 0.00 C ATOM 1258 CG PHE A 83 62.833 -8.770 8.504 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.688 -7.410 8.179 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.017 -9.152 9.836 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.730 -6.450 9.192 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.054 -8.192 10.839 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.912 -6.847 10.520 1.00 0.00 C ATOM 0 H PHE A 83 61.178 -8.614 5.997 1.00 0.00 H new ATOM 0 HA PHE A 83 63.972 -8.558 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.811 -10.288 7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.502 -10.635 7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.545 -7.109 7.152 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.131 -10.197 10.086 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.622 -5.403 8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.193 -8.491 11.867 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.942 -6.104 11.303 1.00 0.00 H new ATOM 1273 N ASN A 84 62.557 -10.950 4.503 1.00 0.00 N ATOM 1274 CA ASN A 84 62.728 -12.005 3.533 1.00 0.00 C ATOM 1275 C ASN A 84 63.221 -11.377 2.257 1.00 0.00 C ATOM 1276 O ASN A 84 63.770 -12.028 1.368 1.00 0.00 O ATOM 1277 CB ASN A 84 61.376 -12.683 3.290 1.00 0.00 C ATOM 1278 CG ASN A 84 61.539 -14.196 3.190 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.186 -14.694 2.270 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.984 -14.958 4.093 1.00 0.00 N ATOM 0 H ASN A 84 61.586 -10.673 4.645 1.00 0.00 H new ATOM 0 HA ASN A 84 63.440 -12.751 3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.691 -12.439 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.931 -12.299 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.086 -15.971 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.449 -14.540 4.854 1.00 0.00 H new ATOM 1287 N SER A 85 63.000 -10.087 2.209 1.00 0.00 N ATOM 1288 CA SER A 85 63.396 -9.277 1.062 1.00 0.00 C ATOM 1289 C SER A 85 62.869 -9.888 -0.232 1.00 0.00 C ATOM 1290 O SER A 85 63.454 -10.857 -0.688 1.00 0.00 O ATOM 1291 CB SER A 85 64.920 -9.177 0.997 1.00 0.00 C ATOM 1292 OG SER A 85 65.395 -8.488 2.147 1.00 0.00 O ATOM 1293 OXT SER A 85 61.888 -9.379 -0.748 1.00 0.00 O ATOM 0 H SER A 85 62.544 -9.562 2.955 1.00 0.00 H new ATOM 0 HA SER A 85 62.971 -8.280 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.360 -10.173 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.223 -8.650 0.092 1.00 0.00 H new ATOM 0 HG SER A 85 64.688 -8.456 2.825 1.00 0.00 H new