USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 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 Single : A 2 THR OG1 : rot 16:sc= 0.81 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.876 (180deg=-1.08) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.01 F(o=-3.1!,f=-1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 176:sc= 0 (180deg=-0.00961) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -170:sc= -3.62! (180deg=-4.18!) USER MOD Single : A 28 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.21) USER MOD Single : A 38 ASN : amide:sc= -7.1! C(o=-7.1!,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.72) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 0:sc= 1.04 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.18 F(o=-2,f=-0.18) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.73 USER MOD Single : A 71 GLN : amide:sc= -3.02 K(o=-3,f=-3.9) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 85 SER OG : rot 41:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.893 -13.248 19.623 1.00 0.00 N ATOM 21 CA THR A 2 51.301 -12.881 19.522 1.00 0.00 C ATOM 22 C THR A 2 51.962 -13.608 18.361 1.00 0.00 C ATOM 23 O THR A 2 51.623 -14.754 18.066 1.00 0.00 O ATOM 24 CB THR A 2 52.042 -13.260 20.812 1.00 0.00 C ATOM 25 OG1 THR A 2 51.100 -13.633 21.807 1.00 0.00 O ATOM 26 CG2 THR A 2 52.868 -12.072 21.308 1.00 0.00 C ATOM 0 HA THR A 2 51.354 -11.804 19.361 1.00 0.00 H new ATOM 0 HB THR A 2 52.709 -14.098 20.609 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.232 -13.808 21.387 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.391 -12.349 22.224 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.595 -11.791 20.546 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.208 -11.228 21.508 1.00 0.00 H new ATOM 34 N VAL A 3 52.940 -12.963 17.734 1.00 0.00 N ATOM 35 CA VAL A 3 53.664 -13.581 16.663 1.00 0.00 C ATOM 36 C VAL A 3 55.103 -13.203 16.781 1.00 0.00 C ATOM 37 O VAL A 3 55.443 -12.047 17.018 1.00 0.00 O ATOM 38 CB VAL A 3 53.161 -13.139 15.317 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.027 -14.050 14.897 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.678 -11.691 15.396 1.00 0.00 C ATOM 0 H VAL A 3 53.239 -12.014 17.959 1.00 0.00 H new ATOM 0 HA VAL A 3 53.527 -14.660 16.739 1.00 0.00 H new ATOM 0 HB VAL A 3 53.963 -13.196 14.581 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.653 -13.740 13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.388 -15.077 14.837 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.222 -13.991 15.630 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.314 -11.375 14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.871 -11.616 16.125 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.504 -11.048 15.701 1.00 0.00 H new ATOM 50 N LYS A 4 55.934 -14.186 16.621 1.00 0.00 N ATOM 51 CA LYS A 4 57.341 -13.981 16.713 1.00 0.00 C ATOM 52 C LYS A 4 58.073 -14.995 15.879 1.00 0.00 C ATOM 53 O LYS A 4 57.737 -16.179 15.876 1.00 0.00 O ATOM 54 CB LYS A 4 57.776 -14.080 18.157 1.00 0.00 C ATOM 55 CG LYS A 4 57.289 -15.408 18.769 1.00 0.00 C ATOM 56 CD LYS A 4 56.127 -15.168 19.757 1.00 0.00 C ATOM 57 CE LYS A 4 54.773 -15.138 19.022 1.00 0.00 C ATOM 58 NZ LYS A 4 53.806 -16.013 19.743 1.00 0.00 N ATOM 0 H LYS A 4 55.655 -15.147 16.424 1.00 0.00 H new ATOM 0 HA LYS A 4 57.580 -12.987 16.335 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.862 -14.018 18.222 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.374 -13.241 18.724 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.963 -16.081 17.975 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.114 -15.899 19.285 1.00 0.00 H new ATOM 0 HD2 LYS A 4 56.118 -15.955 20.511 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.281 -14.225 20.282 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.393 -14.117 18.975 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.896 -15.480 17.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.839 -15.795 19.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 54.020 -17.010 19.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.883 -15.845 20.767 1.00 0.00 H new ATOM 72 N GLN A 5 59.053 -14.521 15.142 1.00 0.00 N ATOM 73 CA GLN A 5 59.795 -15.404 14.268 1.00 0.00 C ATOM 74 C GLN A 5 61.255 -15.003 14.162 1.00 0.00 C ATOM 75 O GLN A 5 61.619 -13.844 14.331 1.00 0.00 O ATOM 76 CB GLN A 5 59.156 -15.358 12.896 1.00 0.00 C ATOM 77 CG GLN A 5 57.632 -15.338 13.054 1.00 0.00 C ATOM 78 CD GLN A 5 56.961 -15.479 11.692 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.678 -14.409 11.001 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.688 -16.593 11.246 1.00 0.00 N flip ATOM 0 H GLN A 5 59.352 -13.546 15.129 1.00 0.00 H new ATOM 0 HA GLN A 5 59.765 -16.412 14.682 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.490 -14.472 12.355 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.462 -16.224 12.309 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.316 -16.150 13.709 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.320 -14.407 13.527 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.910 -17.428 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.239 -16.681 10.334 1.00 0.00 H new ATOM 89 N THR A 6 62.084 -15.979 13.875 1.00 0.00 N ATOM 90 CA THR A 6 63.496 -15.752 13.732 1.00 0.00 C ATOM 91 C THR A 6 63.884 -15.744 12.263 1.00 0.00 C ATOM 92 O THR A 6 63.918 -16.792 11.618 1.00 0.00 O ATOM 93 CB THR A 6 64.257 -16.851 14.463 1.00 0.00 C ATOM 94 OG1 THR A 6 63.531 -17.240 15.621 1.00 0.00 O ATOM 95 CG2 THR A 6 65.618 -16.320 14.866 1.00 0.00 C ATOM 0 H THR A 6 61.797 -16.948 13.735 1.00 0.00 H new ATOM 0 HA THR A 6 63.748 -14.783 14.162 1.00 0.00 H new ATOM 0 HB THR A 6 64.379 -17.716 13.811 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.019 -17.948 16.091 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.172 -17.099 15.390 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.170 -16.020 13.975 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.493 -15.459 15.523 1.00 0.00 H new ATOM 103 N VAL A 7 64.174 -14.560 11.732 1.00 0.00 N ATOM 104 CA VAL A 7 64.553 -14.456 10.325 1.00 0.00 C ATOM 105 C VAL A 7 66.070 -14.369 10.166 1.00 0.00 C ATOM 106 O VAL A 7 66.701 -13.423 10.637 1.00 0.00 O ATOM 107 CB VAL A 7 63.904 -13.219 9.682 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.679 -13.462 8.175 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.564 -12.924 10.374 1.00 0.00 C ATOM 0 H VAL A 7 64.155 -13.676 12.241 1.00 0.00 H new ATOM 0 HA VAL A 7 64.198 -15.356 9.823 1.00 0.00 H new ATOM 0 HB VAL A 7 64.567 -12.362 9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.219 -12.580 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.636 -13.656 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.023 -14.322 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.104 -12.047 9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.900 -13.781 10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.736 -12.734 11.433 1.00 0.00 H new ATOM 119 N GLU A 8 66.646 -15.349 9.476 1.00 0.00 N ATOM 120 CA GLU A 8 68.084 -15.353 9.238 1.00 0.00 C ATOM 121 C GLU A 8 68.403 -14.366 8.123 1.00 0.00 C ATOM 122 O GLU A 8 67.825 -14.446 7.040 1.00 0.00 O ATOM 123 CB GLU A 8 68.551 -16.755 8.837 1.00 0.00 C ATOM 124 CG GLU A 8 68.097 -17.766 9.893 1.00 0.00 C ATOM 125 CD GLU A 8 68.858 -19.076 9.720 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.927 -19.198 10.296 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.363 -19.938 9.012 1.00 0.00 O ATOM 0 H GLU A 8 66.145 -16.142 9.076 1.00 0.00 H new ATOM 0 HA GLU A 8 68.603 -15.062 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.141 -17.022 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.637 -16.775 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.270 -17.364 10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.025 -17.943 9.802 1.00 0.00 H new ATOM 134 N ILE A 9 69.304 -13.420 8.383 1.00 0.00 N ATOM 135 CA ILE A 9 69.635 -12.431 7.361 1.00 0.00 C ATOM 136 C ILE A 9 70.813 -12.877 6.516 1.00 0.00 C ATOM 137 O ILE A 9 71.669 -13.638 6.967 1.00 0.00 O ATOM 138 CB ILE A 9 70.022 -11.078 7.981 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.391 -10.893 9.377 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.607 -9.949 7.036 1.00 0.00 C ATOM 141 CD1 ILE A 9 67.970 -10.299 9.302 1.00 0.00 C ATOM 0 H ILE A 9 69.805 -13.318 9.266 1.00 0.00 H new ATOM 0 HA ILE A 9 68.738 -12.329 6.750 1.00 0.00 H new ATOM 0 HB ILE A 9 71.103 -11.053 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.354 -11.856 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.025 -10.239 9.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.881 -8.989 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.116 -10.070 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.529 -9.983 6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.568 -10.188 10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.009 -9.324 8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.327 -10.965 8.727 1.00 0.00 H new ATOM 311 N ALA A 20 62.136 -1.921 7.708 1.00 0.00 N ATOM 312 CA ALA A 20 62.216 -1.911 9.159 1.00 0.00 C ATOM 313 C ALA A 20 61.516 -0.664 9.676 1.00 0.00 C ATOM 314 O ALA A 20 61.048 -0.615 10.813 1.00 0.00 O ATOM 315 CB ALA A 20 63.685 -1.917 9.591 1.00 0.00 C ATOM 0 HA ALA A 20 61.731 -2.796 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.744 -1.909 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.173 -2.813 9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.185 -1.033 9.194 1.00 0.00 H new ATOM 321 N MET A 21 61.438 0.335 8.806 1.00 0.00 N ATOM 322 CA MET A 21 60.780 1.587 9.138 1.00 0.00 C ATOM 323 C MET A 21 59.278 1.453 8.914 1.00 0.00 C ATOM 324 O MET A 21 58.479 1.925 9.722 1.00 0.00 O ATOM 325 CB MET A 21 61.333 2.720 8.272 1.00 0.00 C ATOM 326 CG MET A 21 62.810 2.948 8.605 1.00 0.00 C ATOM 327 SD MET A 21 63.353 4.517 7.882 1.00 0.00 S ATOM 328 CE MET A 21 64.917 4.656 8.783 1.00 0.00 C ATOM 0 H MET A 21 61.824 0.300 7.863 1.00 0.00 H new ATOM 0 HA MET A 21 60.970 1.819 10.186 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.222 2.472 7.216 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.765 3.634 8.446 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.952 2.964 9.686 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.413 2.127 8.216 1.00 0.00 H new ATOM 0 HE1 MET A 21 65.461 5.533 8.434 1.00 0.00 H new ATOM 0 HE2 MET A 21 64.715 4.755 9.850 1.00 0.00 H new ATOM 0 HE3 MET A 21 65.518 3.763 8.609 1.00 0.00 H new ATOM 338 N LYS A 22 58.895 0.799 7.814 1.00 0.00 N ATOM 339 CA LYS A 22 57.478 0.614 7.519 1.00 0.00 C ATOM 340 C LYS A 22 56.755 0.128 8.769 1.00 0.00 C ATOM 341 O LYS A 22 55.699 0.644 9.116 1.00 0.00 O ATOM 342 CB LYS A 22 57.287 -0.371 6.350 1.00 0.00 C ATOM 343 CG LYS A 22 56.995 -1.787 6.865 1.00 0.00 C ATOM 344 CD LYS A 22 57.041 -2.772 5.695 1.00 0.00 C ATOM 345 CE LYS A 22 55.910 -2.457 4.712 1.00 0.00 C ATOM 346 NZ LYS A 22 55.649 -3.649 3.856 1.00 0.00 N ATOM 0 H LYS A 22 59.534 0.397 7.128 1.00 0.00 H new ATOM 0 HA LYS A 22 57.050 1.569 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.466 -0.034 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.184 -0.383 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 22 57.727 -2.069 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.016 -1.818 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.004 -2.707 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 22 56.943 -3.793 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 22 55.007 -2.182 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.181 -1.603 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.881 -3.435 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.511 -3.892 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.373 -4.453 4.455 1.00 0.00 H new ATOM 360 N LEU A 23 57.364 -0.832 9.464 1.00 0.00 N ATOM 361 CA LEU A 23 56.820 -1.357 10.700 1.00 0.00 C ATOM 362 C LEU A 23 56.175 -0.218 11.459 1.00 0.00 C ATOM 363 O LEU A 23 55.069 -0.331 11.984 1.00 0.00 O ATOM 364 CB LEU A 23 57.984 -1.901 11.532 1.00 0.00 C ATOM 365 CG LEU A 23 58.186 -3.405 11.309 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.880 -3.673 9.965 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.067 -3.932 12.435 1.00 0.00 C ATOM 0 H LEU A 23 58.245 -1.261 9.181 1.00 0.00 H new ATOM 0 HA LEU A 23 56.088 -2.140 10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.898 -1.368 11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.796 -1.712 12.589 1.00 0.00 H new ATOM 0 HG LEU A 23 57.216 -3.902 11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.011 -4.747 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.268 -3.279 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.854 -3.184 9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.227 -5.002 12.301 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.027 -3.416 12.418 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.578 -3.756 13.393 1.00 0.00 H new ATOM 379 N PHE A 24 56.916 0.875 11.508 1.00 0.00 N ATOM 380 CA PHE A 24 56.487 2.069 12.203 1.00 0.00 C ATOM 381 C PHE A 24 55.367 2.778 11.439 1.00 0.00 C ATOM 382 O PHE A 24 54.234 2.883 11.918 1.00 0.00 O ATOM 383 CB PHE A 24 57.686 3.006 12.335 1.00 0.00 C ATOM 384 CG PHE A 24 58.974 2.236 12.604 1.00 0.00 C ATOM 385 CD1 PHE A 24 58.968 0.885 13.012 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.198 2.895 12.437 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.176 0.226 13.247 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.397 2.230 12.674 1.00 0.00 C ATOM 389 CZ PHE A 24 61.387 0.897 13.080 1.00 0.00 C ATOM 0 H PHE A 24 57.832 0.957 11.066 1.00 0.00 H new ATOM 0 HA PHE A 24 56.103 1.793 13.185 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.795 3.590 11.421 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.508 3.713 13.145 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.032 0.363 13.142 1.00 0.00 H new ATOM 0 HD2 PHE A 24 60.212 3.928 12.122 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.173 -0.808 13.559 1.00 0.00 H new ATOM 0 HE2 PHE A 24 62.336 2.747 12.543 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.318 0.383 13.266 1.00 0.00 H new ATOM 399 N GLU A 25 55.669 3.235 10.232 1.00 0.00 N ATOM 400 CA GLU A 25 54.647 3.892 9.430 1.00 0.00 C ATOM 401 C GLU A 25 53.477 2.944 9.327 1.00 0.00 C ATOM 402 O GLU A 25 52.334 3.346 9.104 1.00 0.00 O ATOM 403 CB GLU A 25 55.187 4.243 8.035 1.00 0.00 C ATOM 404 CG GLU A 25 55.409 5.755 7.931 1.00 0.00 C ATOM 405 CD GLU A 25 54.070 6.468 7.772 1.00 0.00 C ATOM 406 OE1 GLU A 25 53.350 6.134 6.846 1.00 0.00 O ATOM 407 OE2 GLU A 25 53.785 7.337 8.579 1.00 0.00 O ATOM 0 H GLU A 25 56.588 3.166 9.795 1.00 0.00 H new ATOM 0 HA GLU A 25 54.341 4.828 9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.123 3.715 7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.483 3.916 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.920 6.118 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.053 5.979 7.081 1.00 0.00 H new ATOM 414 N LEU A 26 53.787 1.676 9.532 1.00 0.00 N ATOM 415 CA LEU A 26 52.788 0.641 9.510 1.00 0.00 C ATOM 416 C LEU A 26 52.106 0.597 10.866 1.00 0.00 C ATOM 417 O LEU A 26 50.919 0.297 10.956 1.00 0.00 O ATOM 418 CB LEU A 26 53.438 -0.705 9.157 1.00 0.00 C ATOM 419 CG LEU A 26 52.479 -1.852 9.440 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.327 -2.018 10.964 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.115 -1.571 8.769 1.00 0.00 C ATOM 0 H LEU A 26 54.734 1.344 9.717 1.00 0.00 H new ATOM 0 HA LEU A 26 52.037 0.850 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.723 -0.713 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.352 -0.837 9.736 1.00 0.00 H new ATOM 0 HG LEU A 26 52.872 -2.780 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.641 -2.839 11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.300 -2.236 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.933 -1.097 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.432 -2.395 8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.698 -0.646 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.252 -1.474 7.692 1.00 0.00 H new ATOM 433 N MET A 27 52.849 0.928 11.925 1.00 0.00 N ATOM 434 CA MET A 27 52.254 0.946 13.256 1.00 0.00 C ATOM 435 C MET A 27 50.949 1.704 13.137 1.00 0.00 C ATOM 436 O MET A 27 49.963 1.399 13.809 1.00 0.00 O ATOM 437 CB MET A 27 53.164 1.646 14.283 1.00 0.00 C ATOM 438 CG MET A 27 54.148 0.645 14.897 1.00 0.00 C ATOM 439 SD MET A 27 53.236 -0.642 15.786 1.00 0.00 S ATOM 440 CE MET A 27 53.758 -2.046 14.769 1.00 0.00 C ATOM 0 H MET A 27 53.837 1.180 11.887 1.00 0.00 H new ATOM 0 HA MET A 27 52.106 -0.075 13.608 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.712 2.455 13.800 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.557 2.097 15.068 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.760 0.196 14.115 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.827 1.159 15.577 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.170 -2.925 15.033 1.00 0.00 H new ATOM 0 HE2 MET A 27 53.604 -1.810 13.716 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.814 -2.250 14.945 1.00 0.00 H new ATOM 450 N GLN A 28 50.955 2.684 12.232 1.00 0.00 N ATOM 451 CA GLN A 28 49.760 3.475 11.978 1.00 0.00 C ATOM 452 C GLN A 28 48.799 2.658 11.119 1.00 0.00 C ATOM 453 O GLN A 28 47.626 3.002 10.973 1.00 0.00 O ATOM 454 CB GLN A 28 50.129 4.781 11.259 1.00 0.00 C ATOM 455 CG GLN A 28 50.340 5.897 12.287 1.00 0.00 C ATOM 456 CD GLN A 28 49.000 6.321 12.878 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.874 6.461 14.095 1.00 0.00 O ATOM 458 NE2 GLN A 28 47.986 6.533 12.085 1.00 0.00 N ATOM 0 H GLN A 28 51.766 2.944 11.671 1.00 0.00 H new ATOM 0 HA GLN A 28 49.283 3.728 12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 28 51.036 4.639 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.338 5.060 10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.004 5.552 13.080 1.00 0.00 H new ATOM 0 HG3 GLN A 28 50.825 6.751 11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 48.093 6.416 11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 28 47.086 6.816 12.473 1.00 0.00 H new ATOM 467 N GLY A 29 49.316 1.563 10.564 1.00 0.00 N ATOM 468 CA GLY A 29 48.512 0.672 9.726 1.00 0.00 C ATOM 469 C GLY A 29 47.977 -0.498 10.548 1.00 0.00 C ATOM 470 O GLY A 29 46.768 -0.723 10.615 1.00 0.00 O ATOM 0 H GLY A 29 50.287 1.271 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.682 1.226 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.116 0.297 8.900 1.00 0.00 H new ATOM 474 N PHE A 30 48.887 -1.217 11.198 1.00 0.00 N ATOM 475 CA PHE A 30 48.506 -2.343 12.050 1.00 0.00 C ATOM 476 C PHE A 30 48.687 -1.937 13.503 1.00 0.00 C ATOM 477 O PHE A 30 49.537 -1.105 13.819 1.00 0.00 O ATOM 478 CB PHE A 30 49.372 -3.584 11.798 1.00 0.00 C ATOM 479 CG PHE A 30 49.375 -3.999 10.339 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.592 -4.254 9.716 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.184 -4.171 9.625 1.00 0.00 C ATOM 482 CE1 PHE A 30 50.648 -4.676 8.394 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.233 -4.590 8.287 1.00 0.00 C ATOM 484 CZ PHE A 30 49.470 -4.843 7.670 1.00 0.00 C ATOM 0 H PHE A 30 49.891 -1.042 11.153 1.00 0.00 H new ATOM 0 HA PHE A 30 47.470 -2.593 11.820 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.394 -3.382 12.118 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.005 -4.410 12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.510 -4.122 10.270 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.233 -3.982 10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 30 51.602 -4.874 7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.317 -4.719 7.729 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.507 -5.165 6.640 1.00 0.00 H new ATOM 494 N ASP A 31 47.920 -2.551 14.389 1.00 0.00 N ATOM 495 CA ASP A 31 48.040 -2.271 15.803 1.00 0.00 C ATOM 496 C ASP A 31 48.755 -3.445 16.421 1.00 0.00 C ATOM 497 O ASP A 31 48.177 -4.518 16.588 1.00 0.00 O ATOM 498 CB ASP A 31 46.663 -2.083 16.434 1.00 0.00 C ATOM 499 CG ASP A 31 46.806 -1.735 17.911 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.843 -1.247 18.480 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.875 -1.963 18.452 1.00 0.00 O ATOM 0 H ASP A 31 47.211 -3.244 14.151 1.00 0.00 H new ATOM 0 HA ASP A 31 48.595 -1.348 15.970 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.123 -1.290 15.916 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.076 -2.995 16.322 1.00 0.00 H new ATOM 506 N ALA A 32 50.031 -3.266 16.704 1.00 0.00 N ATOM 507 CA ALA A 32 50.804 -4.338 17.233 1.00 0.00 C ATOM 508 C ALA A 32 52.148 -3.826 17.672 1.00 0.00 C ATOM 509 O ALA A 32 52.619 -2.789 17.212 1.00 0.00 O ATOM 510 CB ALA A 32 50.961 -5.403 16.163 1.00 0.00 C ATOM 0 H ALA A 32 50.538 -2.391 16.573 1.00 0.00 H new ATOM 0 HA ALA A 32 50.303 -4.770 18.099 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.552 -6.230 16.557 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.978 -5.768 15.866 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.466 -4.976 15.296 1.00 0.00 H new ATOM 516 N GLU A 33 52.746 -4.551 18.579 1.00 0.00 N ATOM 517 CA GLU A 33 54.021 -4.181 19.111 1.00 0.00 C ATOM 518 C GLU A 33 55.078 -5.115 18.586 1.00 0.00 C ATOM 519 O GLU A 33 55.368 -6.162 19.164 1.00 0.00 O ATOM 520 CB GLU A 33 53.926 -4.249 20.609 1.00 0.00 C ATOM 521 CG GLU A 33 54.554 -2.999 21.208 1.00 0.00 C ATOM 522 CD GLU A 33 54.767 -3.178 22.707 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.832 -3.640 23.083 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.862 -2.851 23.457 1.00 0.00 O ATOM 0 H GLU A 33 52.360 -5.412 18.966 1.00 0.00 H new ATOM 0 HA GLU A 33 54.297 -3.171 18.809 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.883 -4.329 20.916 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.436 -5.139 20.978 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.507 -2.794 20.721 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.911 -2.138 21.026 1.00 0.00 H new ATOM 531 N VAL A 34 55.626 -4.718 17.469 1.00 0.00 N ATOM 532 CA VAL A 34 56.646 -5.508 16.805 1.00 0.00 C ATOM 533 C VAL A 34 57.994 -5.313 17.480 1.00 0.00 C ATOM 534 O VAL A 34 58.512 -4.197 17.517 1.00 0.00 O ATOM 535 CB VAL A 34 56.789 -5.096 15.338 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.581 -6.177 14.605 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.417 -4.917 14.674 1.00 0.00 C ATOM 0 H VAL A 34 55.386 -3.849 16.992 1.00 0.00 H new ATOM 0 HA VAL A 34 56.339 -6.552 16.868 1.00 0.00 H new ATOM 0 HB VAL A 34 57.310 -4.140 15.287 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.692 -5.899 13.557 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.566 -6.278 15.060 1.00 0.00 H new ATOM 0 HG13 VAL A 34 57.050 -7.127 14.674 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.552 -4.624 13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.866 -5.856 14.718 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.857 -4.143 15.199 1.00 0.00 H new ATOM 547 N LEU A 35 58.570 -6.392 18.007 1.00 0.00 N ATOM 548 CA LEU A 35 59.867 -6.282 18.660 1.00 0.00 C ATOM 549 C LEU A 35 60.934 -7.028 17.857 1.00 0.00 C ATOM 550 O LEU A 35 60.817 -8.226 17.602 1.00 0.00 O ATOM 551 CB LEU A 35 59.769 -6.832 20.092 1.00 0.00 C ATOM 552 CG LEU A 35 61.154 -7.143 20.704 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.723 -8.460 20.148 1.00 0.00 C ATOM 554 CD2 LEU A 35 62.137 -5.997 20.430 1.00 0.00 C ATOM 0 H LEU A 35 58.169 -7.330 17.995 1.00 0.00 H new ATOM 0 HA LEU A 35 60.160 -5.233 18.708 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.252 -6.107 20.721 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.165 -7.739 20.088 1.00 0.00 H new ATOM 0 HG LEU A 35 61.022 -7.249 21.781 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.698 -8.653 20.596 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.045 -9.279 20.387 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.830 -8.382 19.066 1.00 0.00 H new ATOM 0 HD21 LEU A 35 63.106 -6.236 20.869 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.249 -5.863 19.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.755 -5.077 20.872 1.00 0.00 H new ATOM 566 N LEU A 36 61.960 -6.293 17.447 1.00 0.00 N ATOM 567 CA LEU A 36 63.054 -6.849 16.656 1.00 0.00 C ATOM 568 C LEU A 36 64.295 -7.099 17.500 1.00 0.00 C ATOM 569 O LEU A 36 64.790 -6.195 18.166 1.00 0.00 O ATOM 570 CB LEU A 36 63.420 -5.858 15.562 1.00 0.00 C ATOM 571 CG LEU A 36 62.528 -6.093 14.351 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.066 -5.993 14.780 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.818 -5.031 13.301 1.00 0.00 C ATOM 0 H LEU A 36 62.059 -5.299 17.652 1.00 0.00 H new ATOM 0 HA LEU A 36 62.718 -7.800 16.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.299 -4.837 15.925 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.468 -5.975 15.285 1.00 0.00 H new ATOM 0 HG LEU A 36 62.723 -7.081 13.935 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.421 -6.160 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.858 -6.746 15.540 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.874 -5.001 15.189 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.181 -5.195 12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.617 -4.044 13.717 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.864 -5.092 13.001 1.00 0.00 H new ATOM 585 N ARG A 37 64.815 -8.317 17.437 1.00 0.00 N ATOM 586 CA ARG A 37 66.013 -8.657 18.161 1.00 0.00 C ATOM 587 C ARG A 37 66.815 -9.678 17.397 1.00 0.00 C ATOM 588 O ARG A 37 66.291 -10.386 16.545 1.00 0.00 O ATOM 589 CB ARG A 37 65.673 -9.237 19.523 1.00 0.00 C ATOM 590 CG ARG A 37 64.747 -10.426 19.348 1.00 0.00 C ATOM 591 CD ARG A 37 64.260 -10.924 20.714 1.00 0.00 C ATOM 592 NE ARG A 37 65.215 -11.875 21.272 1.00 0.00 N ATOM 593 CZ ARG A 37 65.172 -12.221 22.555 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.042 -13.069 23.032 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.259 -11.713 23.337 1.00 0.00 N ATOM 0 H ARG A 37 64.419 -9.081 16.889 1.00 0.00 H new ATOM 0 HA ARG A 37 66.594 -7.743 18.286 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.584 -9.544 20.037 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.196 -8.479 20.144 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.894 -10.144 18.730 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.268 -11.228 18.825 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.136 -10.081 21.394 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.283 -11.397 20.610 1.00 0.00 H new ATOM 0 HE ARG A 37 65.928 -12.282 20.667 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.755 -13.466 22.420 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.009 -13.334 24.016 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.579 -11.051 22.964 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.226 -11.978 24.321 1.00 0.00 H new ATOM 609 N ASN A 38 68.085 -9.762 17.732 1.00 0.00 N ATOM 610 CA ASN A 38 68.965 -10.719 17.091 1.00 0.00 C ATOM 611 C ASN A 38 69.311 -11.842 18.045 1.00 0.00 C ATOM 612 O ASN A 38 69.524 -11.614 19.243 1.00 0.00 O ATOM 613 CB ASN A 38 70.260 -10.062 16.636 1.00 0.00 C ATOM 614 CG ASN A 38 70.060 -8.598 16.341 1.00 0.00 C ATOM 615 OD1 ASN A 38 68.931 -8.129 16.206 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.112 -7.843 16.244 1.00 0.00 N ATOM 0 H ASN A 38 68.531 -9.182 18.442 1.00 0.00 H new ATOM 0 HA ASN A 38 68.435 -11.112 16.223 1.00 0.00 H new ATOM 0 HB2 ASN A 38 71.020 -10.178 17.409 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.632 -10.567 15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.009 -6.846 16.053 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.042 -8.247 16.358 1.00 0.00 H new ATOM 623 N ASP A 39 69.391 -13.048 17.499 1.00 0.00 N ATOM 624 CA ASP A 39 69.736 -14.216 18.310 1.00 0.00 C ATOM 625 C ASP A 39 70.910 -13.894 19.226 1.00 0.00 C ATOM 626 O ASP A 39 71.202 -14.634 20.165 1.00 0.00 O ATOM 627 CB ASP A 39 70.106 -15.402 17.420 1.00 0.00 C ATOM 628 CG ASP A 39 70.566 -16.574 18.279 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.853 -16.918 19.207 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.625 -17.110 17.997 1.00 0.00 O ATOM 0 H ASP A 39 69.225 -13.246 16.512 1.00 0.00 H new ATOM 0 HA ASP A 39 68.865 -14.478 18.910 1.00 0.00 H new ATOM 0 HB2 ASP A 39 69.247 -15.697 16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.898 -15.115 16.728 1.00 0.00 H new ATOM 635 N GLU A 40 71.576 -12.781 18.945 1.00 0.00 N ATOM 636 CA GLU A 40 72.715 -12.358 19.746 1.00 0.00 C ATOM 637 C GLU A 40 72.245 -11.803 21.078 1.00 0.00 C ATOM 638 O GLU A 40 73.044 -11.301 21.868 1.00 0.00 O ATOM 639 CB GLU A 40 73.479 -11.259 19.012 1.00 0.00 C ATOM 640 CG GLU A 40 74.025 -11.793 17.688 1.00 0.00 C ATOM 641 CD GLU A 40 74.950 -12.981 17.937 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.625 -14.065 17.480 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.969 -12.789 18.579 1.00 0.00 O ATOM 0 H GLU A 40 71.347 -12.158 18.171 1.00 0.00 H new ATOM 0 HA GLU A 40 73.358 -13.222 19.913 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.821 -10.410 18.827 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.299 -10.898 19.633 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.200 -12.095 17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.567 -11.005 17.166 1.00 0.00 H new ATOM 650 N GLY A 41 70.942 -11.864 21.310 1.00 0.00 N ATOM 651 CA GLY A 41 70.385 -11.329 22.537 1.00 0.00 C ATOM 652 C GLY A 41 70.153 -9.842 22.355 1.00 0.00 C ATOM 653 O GLY A 41 69.644 -9.160 23.245 1.00 0.00 O ATOM 0 H GLY A 41 70.260 -12.274 20.672 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.448 -11.831 22.778 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.065 -11.507 23.370 1.00 0.00 H new ATOM 657 N THR A 42 70.522 -9.351 21.172 1.00 0.00 N ATOM 658 CA THR A 42 70.338 -7.940 20.854 1.00 0.00 C ATOM 659 C THR A 42 68.853 -7.682 20.645 1.00 0.00 C ATOM 660 O THR A 42 68.192 -8.439 19.942 1.00 0.00 O ATOM 661 CB THR A 42 71.140 -7.579 19.597 1.00 0.00 C ATOM 662 OG1 THR A 42 72.428 -7.116 19.980 1.00 0.00 O ATOM 663 CG2 THR A 42 70.422 -6.484 18.807 1.00 0.00 C ATOM 0 H THR A 42 70.945 -9.904 20.427 1.00 0.00 H new ATOM 0 HA THR A 42 70.700 -7.317 21.672 1.00 0.00 H new ATOM 0 HB THR A 42 71.234 -8.465 18.969 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.944 -6.886 19.179 1.00 0.00 H new ATOM 0 HG21 THR A 42 71.002 -6.237 17.918 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.435 -6.838 18.510 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.317 -5.595 19.430 1.00 0.00 H new ATOM 671 N GLU A 43 68.323 -6.637 21.277 1.00 0.00 N ATOM 672 CA GLU A 43 66.893 -6.346 21.163 1.00 0.00 C ATOM 673 C GLU A 43 66.613 -4.934 20.667 1.00 0.00 C ATOM 674 O GLU A 43 67.214 -3.964 21.128 1.00 0.00 O ATOM 675 CB GLU A 43 66.221 -6.545 22.522 1.00 0.00 C ATOM 676 CG GLU A 43 66.968 -5.733 23.583 1.00 0.00 C ATOM 677 CD GLU A 43 66.368 -5.994 24.960 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.757 -7.036 25.131 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.529 -5.148 25.825 1.00 0.00 O ATOM 0 H GLU A 43 68.849 -5.988 21.863 1.00 0.00 H new ATOM 0 HA GLU A 43 66.485 -7.036 20.424 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.179 -6.230 22.474 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.222 -7.602 22.789 1.00 0.00 H new ATOM 0 HG2 GLU A 43 68.024 -6.002 23.581 1.00 0.00 H new ATOM 0 HG3 GLU A 43 66.909 -4.670 23.347 1.00 0.00 H new ATOM 686 N ALA A 44 65.685 -4.838 19.713 1.00 0.00 N ATOM 687 CA ALA A 44 65.306 -3.560 19.135 1.00 0.00 C ATOM 688 C ALA A 44 63.789 -3.393 19.090 1.00 0.00 C ATOM 689 O ALA A 44 63.073 -4.273 18.618 1.00 0.00 O ATOM 690 CB ALA A 44 65.837 -3.494 17.711 1.00 0.00 C ATOM 0 H ALA A 44 65.183 -5.638 19.327 1.00 0.00 H new ATOM 0 HA ALA A 44 65.725 -2.767 19.755 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.560 -2.539 17.263 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.923 -3.588 17.723 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.409 -4.307 17.125 1.00 0.00 H new ATOM 696 N GLU A 45 63.311 -2.241 19.540 1.00 0.00 N ATOM 697 CA GLU A 45 61.883 -1.955 19.502 1.00 0.00 C ATOM 698 C GLU A 45 61.527 -1.367 18.148 1.00 0.00 C ATOM 699 O GLU A 45 61.950 -0.259 17.824 1.00 0.00 O ATOM 700 CB GLU A 45 61.518 -0.944 20.594 1.00 0.00 C ATOM 701 CG GLU A 45 60.478 -1.544 21.543 1.00 0.00 C ATOM 702 CD GLU A 45 60.327 -0.661 22.777 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.263 0.059 23.083 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.278 -0.718 23.397 1.00 0.00 O ATOM 0 H GLU A 45 63.885 -1.495 19.933 1.00 0.00 H new ATOM 0 HA GLU A 45 61.331 -2.880 19.668 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.411 -0.662 21.152 1.00 0.00 H new ATOM 0 HB3 GLU A 45 61.125 -0.034 20.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.519 -1.637 21.033 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.781 -2.548 21.839 1.00 0.00 H new ATOM 711 N ALA A 46 60.753 -2.099 17.358 1.00 0.00 N ATOM 712 CA ALA A 46 60.364 -1.608 16.050 1.00 0.00 C ATOM 713 C ALA A 46 60.220 -0.085 16.062 1.00 0.00 C ATOM 714 O ALA A 46 61.000 0.622 15.435 1.00 0.00 O ATOM 715 CB ALA A 46 59.042 -2.254 15.645 1.00 0.00 C ATOM 0 H ALA A 46 60.388 -3.021 17.598 1.00 0.00 H new ATOM 0 HA ALA A 46 61.138 -1.869 15.329 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.744 -1.888 14.662 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.162 -3.337 15.608 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.274 -1.999 16.375 1.00 0.00 H new ATOM 721 N ASN A 47 59.219 0.406 16.779 1.00 0.00 N ATOM 722 CA ASN A 47 58.958 1.846 16.862 1.00 0.00 C ATOM 723 C ASN A 47 60.208 2.681 17.182 1.00 0.00 C ATOM 724 O ASN A 47 60.081 3.809 17.659 1.00 0.00 O ATOM 725 CB ASN A 47 57.897 2.109 17.932 1.00 0.00 C ATOM 726 CG ASN A 47 57.293 3.497 17.737 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.526 4.395 18.546 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.525 3.725 16.707 1.00 0.00 N ATOM 0 H ASN A 47 58.569 -0.169 17.315 1.00 0.00 H new ATOM 0 HA ASN A 47 58.613 2.156 15.876 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.115 1.352 17.875 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.342 2.033 18.924 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.116 4.649 16.571 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.334 2.979 16.038 1.00 0.00 H new ATOM 735 N SER A 48 61.408 2.159 16.918 1.00 0.00 N ATOM 736 CA SER A 48 62.622 2.922 17.189 1.00 0.00 C ATOM 737 C SER A 48 63.672 2.672 16.110 1.00 0.00 C ATOM 738 O SER A 48 63.952 1.527 15.756 1.00 0.00 O ATOM 739 CB SER A 48 63.187 2.534 18.557 1.00 0.00 C ATOM 740 OG SER A 48 62.833 3.526 19.511 1.00 0.00 O ATOM 0 H SER A 48 61.561 1.230 16.525 1.00 0.00 H new ATOM 0 HA SER A 48 62.368 3.982 17.187 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.796 1.564 18.863 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.271 2.438 18.501 1.00 0.00 H new ATOM 0 HG SER A 48 63.192 3.279 20.389 1.00 0.00 H new ATOM 746 N VAL A 49 64.262 3.751 15.601 1.00 0.00 N ATOM 747 CA VAL A 49 65.295 3.628 14.579 1.00 0.00 C ATOM 748 C VAL A 49 66.601 3.223 15.236 1.00 0.00 C ATOM 749 O VAL A 49 67.412 2.509 14.648 1.00 0.00 O ATOM 750 CB VAL A 49 65.472 4.949 13.831 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.172 4.692 12.494 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.099 5.573 13.572 1.00 0.00 C ATOM 0 H VAL A 49 64.045 4.709 15.876 1.00 0.00 H new ATOM 0 HA VAL A 49 64.995 2.866 13.859 1.00 0.00 H new ATOM 0 HB VAL A 49 66.076 5.628 14.433 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.297 5.635 11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.149 4.245 12.675 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.568 4.013 11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.222 6.515 13.039 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.497 4.892 12.970 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.598 5.757 14.522 1.00 0.00 H new ATOM 762 N ILE A 50 66.777 3.650 16.481 1.00 0.00 N ATOM 763 CA ILE A 50 67.945 3.300 17.233 1.00 0.00 C ATOM 764 C ILE A 50 68.009 1.788 17.276 1.00 0.00 C ATOM 765 O ILE A 50 69.074 1.178 17.185 1.00 0.00 O ATOM 766 CB ILE A 50 67.775 3.902 18.632 1.00 0.00 C ATOM 767 CG1 ILE A 50 68.962 4.808 18.965 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.629 2.810 19.682 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.224 3.965 19.173 1.00 0.00 C ATOM 0 H ILE A 50 66.114 4.242 16.981 1.00 0.00 H new ATOM 0 HA ILE A 50 68.870 3.678 16.797 1.00 0.00 H new ATOM 0 HB ILE A 50 66.863 4.499 18.638 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.122 5.523 18.158 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.748 5.385 19.865 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.510 3.265 20.666 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.754 2.202 19.455 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.519 2.181 19.679 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.063 4.619 19.410 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.064 3.268 19.995 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.444 3.408 18.262 1.00 0.00 H new ATOM 781 N ALA A 51 66.825 1.205 17.388 1.00 0.00 N ATOM 782 CA ALA A 51 66.676 -0.227 17.415 1.00 0.00 C ATOM 783 C ALA A 51 67.245 -0.815 16.132 1.00 0.00 C ATOM 784 O ALA A 51 68.174 -1.619 16.161 1.00 0.00 O ATOM 785 CB ALA A 51 65.185 -0.565 17.539 1.00 0.00 C ATOM 0 H ALA A 51 65.946 1.718 17.462 1.00 0.00 H new ATOM 0 HA ALA A 51 67.214 -0.649 18.264 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.058 -1.647 17.561 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.790 -0.135 18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.646 -0.153 16.685 1.00 0.00 H new ATOM 791 N LEU A 52 66.685 -0.389 15.007 1.00 0.00 N ATOM 792 CA LEU A 52 67.142 -0.859 13.715 1.00 0.00 C ATOM 793 C LEU A 52 68.651 -0.671 13.591 1.00 0.00 C ATOM 794 O LEU A 52 69.366 -1.569 13.146 1.00 0.00 O ATOM 795 CB LEU A 52 66.447 -0.074 12.597 1.00 0.00 C ATOM 796 CG LEU A 52 64.930 0.047 12.838 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.346 1.015 11.797 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.239 -1.324 12.698 1.00 0.00 C ATOM 0 H LEU A 52 65.916 0.280 14.968 1.00 0.00 H new ATOM 0 HA LEU A 52 66.899 -1.918 13.626 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.884 0.922 12.527 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.625 -0.568 11.642 1.00 0.00 H new ATOM 0 HG LEU A 52 64.759 0.417 13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.272 1.112 11.953 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.818 1.992 11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.533 0.628 10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.169 -1.212 12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.404 -1.714 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.655 -2.017 13.429 1.00 0.00 H new ATOM 810 N LEU A 53 69.124 0.507 13.984 1.00 0.00 N ATOM 811 CA LEU A 53 70.548 0.819 13.912 1.00 0.00 C ATOM 812 C LEU A 53 71.381 -0.269 14.591 1.00 0.00 C ATOM 813 O LEU A 53 72.343 -0.778 14.017 1.00 0.00 O ATOM 814 CB LEU A 53 70.806 2.172 14.590 1.00 0.00 C ATOM 815 CG LEU A 53 72.019 2.875 13.957 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.229 1.936 13.965 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.695 3.286 12.511 1.00 0.00 C ATOM 0 H LEU A 53 68.544 1.260 14.355 1.00 0.00 H new ATOM 0 HA LEU A 53 70.843 0.868 12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.923 2.805 14.497 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.981 2.023 15.655 1.00 0.00 H new ATOM 0 HG LEU A 53 72.251 3.767 14.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.084 2.441 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.469 1.661 14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.996 1.038 13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.560 3.783 12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.450 2.399 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.845 3.968 12.508 1.00 0.00 H new ATOM 829 N MET A 54 71.011 -0.612 15.819 1.00 0.00 N ATOM 830 CA MET A 54 71.739 -1.630 16.571 1.00 0.00 C ATOM 831 C MET A 54 71.881 -2.924 15.768 1.00 0.00 C ATOM 832 O MET A 54 72.975 -3.478 15.658 1.00 0.00 O ATOM 833 CB MET A 54 71.014 -1.926 17.888 1.00 0.00 C ATOM 834 CG MET A 54 71.933 -2.736 18.806 1.00 0.00 C ATOM 835 SD MET A 54 73.224 -1.656 19.473 1.00 0.00 S ATOM 836 CE MET A 54 73.939 -2.847 20.632 1.00 0.00 C ATOM 0 H MET A 54 70.217 -0.204 16.313 1.00 0.00 H new ATOM 0 HA MET A 54 72.737 -1.242 16.776 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.726 -0.994 18.374 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.096 -2.481 17.693 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.356 -3.176 19.619 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.383 -3.560 18.252 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.770 -2.383 21.164 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.179 -3.159 21.348 1.00 0.00 H new ATOM 0 HE3 MET A 54 74.299 -3.717 20.083 1.00 0.00 H new ATOM 846 N LEU A 55 70.768 -3.410 15.228 1.00 0.00 N ATOM 847 CA LEU A 55 70.778 -4.656 14.454 1.00 0.00 C ATOM 848 C LEU A 55 71.097 -4.404 12.981 1.00 0.00 C ATOM 849 O LEU A 55 71.329 -5.343 12.222 1.00 0.00 O ATOM 850 CB LEU A 55 69.432 -5.388 14.572 1.00 0.00 C ATOM 851 CG LEU A 55 68.408 -4.540 15.335 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.001 -5.119 15.144 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.766 -4.548 16.825 1.00 0.00 C ATOM 0 H LEU A 55 69.852 -2.968 15.308 1.00 0.00 H new ATOM 0 HA LEU A 55 71.564 -5.284 14.873 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.050 -5.617 13.577 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.575 -6.339 15.085 1.00 0.00 H new ATOM 0 HG LEU A 55 68.425 -3.519 14.953 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.280 -4.510 15.690 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.748 -5.118 14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.973 -6.141 15.523 1.00 0.00 H new ATOM 0 HD21 LEU A 55 68.043 -3.947 17.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.747 -5.572 17.198 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.764 -4.131 16.962 1.00 0.00 H new ATOM 865 N ASP A 56 71.104 -3.144 12.582 1.00 0.00 N ATOM 866 CA ASP A 56 71.400 -2.796 11.200 1.00 0.00 C ATOM 867 C ASP A 56 72.692 -3.472 10.793 1.00 0.00 C ATOM 868 O ASP A 56 72.914 -3.777 9.622 1.00 0.00 O ATOM 869 CB ASP A 56 71.538 -1.280 11.046 1.00 0.00 C ATOM 870 CG ASP A 56 71.891 -0.932 9.604 1.00 0.00 C ATOM 871 OD1 ASP A 56 71.067 -0.318 8.945 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.979 -1.284 9.179 1.00 0.00 O ATOM 0 H ASP A 56 70.910 -2.348 13.190 1.00 0.00 H new ATOM 0 HA ASP A 56 70.584 -3.132 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.606 -0.791 11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.310 -0.907 11.718 1.00 0.00 H new ATOM 877 N SER A 57 73.532 -3.722 11.788 1.00 0.00 N ATOM 878 CA SER A 57 74.797 -4.386 11.556 1.00 0.00 C ATOM 879 C SER A 57 74.580 -5.891 11.527 1.00 0.00 C ATOM 880 O SER A 57 75.523 -6.653 11.325 1.00 0.00 O ATOM 881 CB SER A 57 75.792 -4.027 12.660 1.00 0.00 C ATOM 882 OG SER A 57 76.902 -4.913 12.598 1.00 0.00 O ATOM 0 H SER A 57 73.356 -3.473 12.761 1.00 0.00 H new ATOM 0 HA SER A 57 75.203 -4.058 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.127 -2.997 12.542 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.311 -4.096 13.636 1.00 0.00 H new ATOM 0 HG SER A 57 76.776 -5.544 11.859 1.00 0.00 H new ATOM 888 N ALA A 58 73.322 -6.309 11.734 1.00 0.00 N ATOM 889 CA ALA A 58 72.982 -7.745 11.730 1.00 0.00 C ATOM 890 C ALA A 58 74.109 -8.557 11.086 1.00 0.00 C ATOM 891 O ALA A 58 74.712 -9.417 11.721 1.00 0.00 O ATOM 892 CB ALA A 58 71.657 -7.978 10.980 1.00 0.00 C ATOM 0 H ALA A 58 72.532 -5.686 11.904 1.00 0.00 H new ATOM 0 HA ALA A 58 72.861 -8.077 12.761 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.418 -9.042 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 58 70.858 -7.425 11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.756 -7.633 9.951 1.00 0.00 H new ATOM 898 N LYS A 59 74.404 -8.241 9.834 1.00 0.00 N ATOM 899 CA LYS A 59 75.484 -8.903 9.103 1.00 0.00 C ATOM 900 C LYS A 59 75.570 -10.405 9.398 1.00 0.00 C ATOM 901 O LYS A 59 76.562 -10.873 9.957 1.00 0.00 O ATOM 902 CB LYS A 59 76.819 -8.246 9.461 1.00 0.00 C ATOM 903 CG LYS A 59 77.895 -8.686 8.463 1.00 0.00 C ATOM 904 CD LYS A 59 79.175 -7.880 8.702 1.00 0.00 C ATOM 905 CE LYS A 59 80.132 -8.063 7.518 1.00 0.00 C ATOM 906 NZ LYS A 59 79.846 -7.029 6.483 1.00 0.00 N ATOM 0 H LYS A 59 73.910 -7.528 9.298 1.00 0.00 H new ATOM 0 HA LYS A 59 75.266 -8.791 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.717 -7.161 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.112 -8.524 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.097 -9.751 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.543 -8.535 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.933 -6.824 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.655 -8.208 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.165 -7.979 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.015 -9.060 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.495 -7.153 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.865 -7.129 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.979 -6.082 6.892 1.00 0.00 H new ATOM 920 N GLY A 60 74.550 -11.162 8.993 1.00 0.00 N ATOM 921 CA GLY A 60 74.560 -12.611 9.195 1.00 0.00 C ATOM 922 C GLY A 60 73.757 -13.024 10.420 1.00 0.00 C ATOM 923 O GLY A 60 73.245 -14.142 10.488 1.00 0.00 O ATOM 0 H GLY A 60 73.716 -10.802 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.152 -13.102 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.589 -12.954 9.304 1.00 0.00 H new ATOM 927 N ARG A 61 73.647 -12.125 11.384 1.00 0.00 N ATOM 928 CA ARG A 61 72.903 -12.415 12.592 1.00 0.00 C ATOM 929 C ARG A 61 71.444 -12.619 12.246 1.00 0.00 C ATOM 930 O ARG A 61 70.904 -11.927 11.387 1.00 0.00 O ATOM 931 CB ARG A 61 73.066 -11.258 13.577 1.00 0.00 C ATOM 932 CG ARG A 61 74.559 -11.080 13.873 1.00 0.00 C ATOM 933 CD ARG A 61 74.832 -9.689 14.475 1.00 0.00 C ATOM 934 NE ARG A 61 75.917 -9.015 13.758 1.00 0.00 N ATOM 935 CZ ARG A 61 77.042 -9.645 13.422 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.963 -9.013 12.747 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.236 -10.884 13.782 1.00 0.00 N ATOM 0 H ARG A 61 74.062 -11.194 11.352 1.00 0.00 H new ATOM 0 HA ARG A 61 73.283 -13.325 13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.651 -10.342 13.157 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.519 -11.464 14.497 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.892 -11.853 14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.134 -11.204 12.955 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.927 -9.083 14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.093 -9.789 15.529 1.00 0.00 H new ATOM 0 HE ARG A 61 75.808 -8.032 13.508 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.821 -8.039 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.825 -9.493 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.525 -11.375 14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.099 -11.361 13.522 1.00 0.00 H new ATOM 951 N GLN A 62 70.801 -13.560 12.918 1.00 0.00 N ATOM 952 CA GLN A 62 69.397 -13.817 12.656 1.00 0.00 C ATOM 953 C GLN A 62 68.574 -12.986 13.605 1.00 0.00 C ATOM 954 O GLN A 62 68.962 -12.775 14.752 1.00 0.00 O ATOM 955 CB GLN A 62 69.058 -15.302 12.831 1.00 0.00 C ATOM 956 CG GLN A 62 69.210 -15.690 14.298 1.00 0.00 C ATOM 957 CD GLN A 62 69.426 -17.195 14.424 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.265 -17.653 15.313 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 68.814 -17.974 13.694 1.00 0.00 N flip ATOM 0 H GLN A 62 71.221 -14.149 13.637 1.00 0.00 H new ATOM 0 HA GLN A 62 69.174 -13.549 11.623 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.039 -15.495 12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.717 -15.912 12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.052 -15.156 14.738 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.320 -15.395 14.854 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.159 -17.614 13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.962 -18.979 13.783 1.00 0.00 H new ATOM 968 N ILE A 63 67.451 -12.499 13.123 1.00 0.00 N ATOM 969 CA ILE A 63 66.602 -11.675 13.933 1.00 0.00 C ATOM 970 C ILE A 63 65.417 -12.455 14.417 1.00 0.00 C ATOM 971 O ILE A 63 64.885 -13.311 13.717 1.00 0.00 O ATOM 972 CB ILE A 63 66.117 -10.492 13.121 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.405 -9.507 14.044 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.151 -10.983 12.044 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.428 -8.545 14.641 1.00 0.00 C ATOM 0 H ILE A 63 67.111 -12.663 12.175 1.00 0.00 H new ATOM 0 HA ILE A 63 67.175 -11.328 14.793 1.00 0.00 H new ATOM 0 HB ILE A 63 66.964 -9.995 12.647 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.648 -8.953 13.489 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.887 -10.045 14.839 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.799 -10.135 11.457 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.663 -11.689 11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.301 -11.476 12.515 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.923 -7.840 15.301 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.168 -9.108 15.210 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.925 -7.999 13.839 1.00 0.00 H new ATOM 987 N GLU A 64 64.998 -12.111 15.608 1.00 0.00 N ATOM 988 CA GLU A 64 63.847 -12.729 16.219 1.00 0.00 C ATOM 989 C GLU A 64 62.749 -11.688 16.250 1.00 0.00 C ATOM 990 O GLU A 64 62.790 -10.750 17.045 1.00 0.00 O ATOM 991 CB GLU A 64 64.207 -13.217 17.634 1.00 0.00 C ATOM 992 CG GLU A 64 63.947 -14.726 17.777 1.00 0.00 C ATOM 993 CD GLU A 64 63.449 -15.046 19.184 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.840 -14.345 20.103 1.00 0.00 O ATOM 995 OE2 GLU A 64 62.684 -15.986 19.321 1.00 0.00 O ATOM 0 H GLU A 64 65.444 -11.395 16.182 1.00 0.00 H new ATOM 0 HA GLU A 64 63.513 -13.601 15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.256 -13.003 17.841 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.619 -12.671 18.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.209 -15.046 17.041 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.863 -15.281 17.573 1.00 0.00 H new ATOM 1002 N VAL A 65 61.787 -11.826 15.350 1.00 0.00 N ATOM 1003 CA VAL A 65 60.720 -10.863 15.274 1.00 0.00 C ATOM 1004 C VAL A 65 59.614 -11.236 16.220 1.00 0.00 C ATOM 1005 O VAL A 65 59.283 -12.408 16.352 1.00 0.00 O ATOM 1006 CB VAL A 65 60.166 -10.828 13.851 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.369 -12.106 13.567 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.255 -9.611 13.704 1.00 0.00 C ATOM 0 H VAL A 65 61.730 -12.588 14.674 1.00 0.00 H new ATOM 0 HA VAL A 65 61.112 -9.883 15.547 1.00 0.00 H new ATOM 0 HB VAL A 65 60.990 -10.763 13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.978 -12.072 12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.020 -12.973 13.677 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.541 -12.183 14.272 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.854 -9.577 12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.434 -9.683 14.417 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.826 -8.703 13.899 1.00 0.00 H new ATOM 1018 N GLU A 66 59.023 -10.243 16.853 1.00 0.00 N ATOM 1019 CA GLU A 66 57.912 -10.510 17.738 1.00 0.00 C ATOM 1020 C GLU A 66 56.908 -9.366 17.702 1.00 0.00 C ATOM 1021 O GLU A 66 57.226 -8.256 18.123 1.00 0.00 O ATOM 1022 CB GLU A 66 58.373 -10.724 19.175 1.00 0.00 C ATOM 1023 CG GLU A 66 57.141 -10.769 20.085 1.00 0.00 C ATOM 1024 CD GLU A 66 57.503 -11.393 21.428 1.00 0.00 C ATOM 1025 OE1 GLU A 66 58.682 -11.442 21.738 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.596 -11.814 22.127 1.00 0.00 O ATOM 0 H GLU A 66 59.288 -9.261 16.773 1.00 0.00 H new ATOM 0 HA GLU A 66 57.438 -11.426 17.385 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.937 -11.653 19.256 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.040 -9.918 19.482 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.754 -9.761 20.236 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.349 -11.347 19.609 1.00 0.00 H new ATOM 1033 N ALA A 67 55.690 -9.632 17.236 1.00 0.00 N ATOM 1034 CA ALA A 67 54.667 -8.591 17.206 1.00 0.00 C ATOM 1035 C ALA A 67 53.525 -8.980 18.125 1.00 0.00 C ATOM 1036 O ALA A 67 53.286 -10.165 18.353 1.00 0.00 O ATOM 1037 CB ALA A 67 54.170 -8.366 15.780 1.00 0.00 C ATOM 0 H ALA A 67 55.391 -10.540 16.881 1.00 0.00 H new ATOM 0 HA ALA A 67 55.098 -7.653 17.557 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.408 -7.587 15.779 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.004 -8.059 15.148 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.743 -9.291 15.393 1.00 0.00 H new ATOM 1043 N THR A 68 52.843 -7.987 18.688 1.00 0.00 N ATOM 1044 CA THR A 68 51.761 -8.279 19.611 1.00 0.00 C ATOM 1045 C THR A 68 50.690 -7.188 19.612 1.00 0.00 C ATOM 1046 O THR A 68 50.866 -6.128 20.214 1.00 0.00 O ATOM 1047 CB THR A 68 52.332 -8.407 21.019 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.321 -9.425 21.041 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.208 -8.755 21.986 1.00 0.00 C ATOM 0 H THR A 68 53.017 -6.995 18.524 1.00 0.00 H new ATOM 0 HA THR A 68 51.292 -9.209 19.288 1.00 0.00 H new ATOM 0 HB THR A 68 52.787 -7.463 21.318 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.688 -9.505 21.946 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.611 -8.848 22.994 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.455 -7.967 21.967 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.752 -9.700 21.689 1.00 0.00 H new ATOM 1057 N GLY A 69 49.575 -7.473 18.956 1.00 0.00 N ATOM 1058 CA GLY A 69 48.454 -6.539 18.897 1.00 0.00 C ATOM 1059 C GLY A 69 47.401 -7.017 17.902 1.00 0.00 C ATOM 1060 O GLY A 69 47.561 -8.045 17.253 1.00 0.00 O ATOM 0 H GLY A 69 49.420 -8.347 18.454 1.00 0.00 H new ATOM 0 HA2 GLY A 69 48.007 -6.438 19.886 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.813 -5.551 18.607 1.00 0.00 H new ATOM 1064 N PRO A 70 46.330 -6.296 17.774 1.00 0.00 N ATOM 1065 CA PRO A 70 45.232 -6.652 16.835 1.00 0.00 C ATOM 1066 C PRO A 70 45.729 -7.187 15.496 1.00 0.00 C ATOM 1067 O PRO A 70 45.267 -8.225 15.023 1.00 0.00 O ATOM 1068 CB PRO A 70 44.512 -5.325 16.649 1.00 0.00 C ATOM 1069 CG PRO A 70 44.661 -4.636 17.964 1.00 0.00 C ATOM 1070 CD PRO A 70 46.030 -5.056 18.512 1.00 0.00 C ATOM 0 HA PRO A 70 44.608 -7.456 17.225 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.956 -4.742 15.842 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.463 -5.474 16.395 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.604 -3.554 17.846 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.863 -4.924 18.648 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.785 -4.291 18.335 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.996 -5.227 19.588 1.00 0.00 H new ATOM 1078 N GLN A 71 46.646 -6.454 14.874 1.00 0.00 N ATOM 1079 CA GLN A 71 47.168 -6.855 13.559 1.00 0.00 C ATOM 1080 C GLN A 71 48.692 -7.044 13.560 1.00 0.00 C ATOM 1081 O GLN A 71 49.382 -6.599 12.644 1.00 0.00 O ATOM 1082 CB GLN A 71 46.776 -5.800 12.517 1.00 0.00 C ATOM 1083 CG GLN A 71 45.307 -5.979 12.119 1.00 0.00 C ATOM 1084 CD GLN A 71 44.398 -5.478 13.236 1.00 0.00 C ATOM 1085 OE1 GLN A 71 43.631 -6.252 13.808 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.436 -4.220 13.580 1.00 0.00 N ATOM 0 H GLN A 71 47.042 -5.591 15.246 1.00 0.00 H new ATOM 0 HA GLN A 71 46.728 -7.821 13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 71 46.933 -4.800 12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.414 -5.891 11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.102 -5.431 11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.102 -7.030 11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.072 -3.580 13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.829 -3.876 14.324 1.00 0.00 H new ATOM 1095 N GLU A 72 49.204 -7.724 14.578 1.00 0.00 N ATOM 1096 CA GLU A 72 50.639 -7.990 14.683 1.00 0.00 C ATOM 1097 C GLU A 72 51.122 -8.868 13.550 1.00 0.00 C ATOM 1098 O GLU A 72 52.234 -8.702 13.055 1.00 0.00 O ATOM 1099 CB GLU A 72 50.930 -8.686 16.022 1.00 0.00 C ATOM 1100 CG GLU A 72 49.712 -9.503 16.444 1.00 0.00 C ATOM 1101 CD GLU A 72 50.124 -10.647 17.360 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.244 -11.350 17.832 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.309 -10.803 17.577 1.00 0.00 O ATOM 0 H GLU A 72 48.649 -8.103 15.345 1.00 0.00 H new ATOM 0 HA GLU A 72 51.167 -7.038 14.627 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.801 -9.334 15.926 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.167 -7.945 16.786 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.996 -8.860 16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.210 -9.900 15.561 1.00 0.00 H new ATOM 1110 N GLU A 73 50.293 -9.802 13.148 1.00 0.00 N ATOM 1111 CA GLU A 73 50.670 -10.700 12.077 1.00 0.00 C ATOM 1112 C GLU A 73 50.943 -9.912 10.806 1.00 0.00 C ATOM 1113 O GLU A 73 52.061 -9.901 10.309 1.00 0.00 O ATOM 1114 CB GLU A 73 49.558 -11.726 11.831 1.00 0.00 C ATOM 1115 CG GLU A 73 49.463 -12.689 13.028 1.00 0.00 C ATOM 1116 CD GLU A 73 49.650 -14.132 12.565 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.861 -14.970 12.970 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.578 -14.376 11.812 1.00 0.00 O ATOM 0 H GLU A 73 49.364 -9.961 13.539 1.00 0.00 H new ATOM 0 HA GLU A 73 51.578 -11.229 12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.606 -11.216 11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.762 -12.285 10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.223 -12.436 13.768 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.494 -12.579 13.516 1.00 0.00 H new ATOM 1125 N GLU A 74 49.927 -9.232 10.299 1.00 0.00 N ATOM 1126 CA GLU A 74 50.087 -8.439 9.086 1.00 0.00 C ATOM 1127 C GLU A 74 51.346 -7.584 9.172 1.00 0.00 C ATOM 1128 O GLU A 74 52.060 -7.397 8.189 1.00 0.00 O ATOM 1129 CB GLU A 74 48.872 -7.528 8.907 1.00 0.00 C ATOM 1130 CG GLU A 74 47.621 -8.227 9.436 1.00 0.00 C ATOM 1131 CD GLU A 74 46.370 -7.556 8.876 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.450 -7.327 9.644 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.351 -7.281 7.688 1.00 0.00 O ATOM 0 H GLU A 74 48.990 -9.211 10.702 1.00 0.00 H new ATOM 0 HA GLU A 74 50.173 -9.115 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.028 -6.589 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.744 -7.280 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.636 -9.280 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.607 -8.189 10.525 1.00 0.00 H new ATOM 1140 N ALA A 75 51.583 -7.055 10.359 1.00 0.00 N ATOM 1141 CA ALA A 75 52.732 -6.189 10.606 1.00 0.00 C ATOM 1142 C ALA A 75 54.043 -6.946 10.543 1.00 0.00 C ATOM 1143 O ALA A 75 54.900 -6.630 9.729 1.00 0.00 O ATOM 1144 CB ALA A 75 52.578 -5.540 11.992 1.00 0.00 C ATOM 0 H ALA A 75 50.992 -7.209 11.176 1.00 0.00 H new ATOM 0 HA ALA A 75 52.757 -5.430 9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.432 -4.891 12.187 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.661 -4.951 12.018 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.532 -6.317 12.755 1.00 0.00 H new ATOM 1150 N LEU A 76 54.184 -7.934 11.397 1.00 0.00 N ATOM 1151 CA LEU A 76 55.388 -8.742 11.451 1.00 0.00 C ATOM 1152 C LEU A 76 55.441 -9.668 10.246 1.00 0.00 C ATOM 1153 O LEU A 76 56.512 -10.031 9.764 1.00 0.00 O ATOM 1154 CB LEU A 76 55.327 -9.520 12.764 1.00 0.00 C ATOM 1155 CG LEU A 76 55.878 -10.941 12.631 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.110 -11.485 14.042 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.868 -11.843 11.898 1.00 0.00 C ATOM 0 H LEU A 76 53.470 -8.203 12.074 1.00 0.00 H new ATOM 0 HA LEU A 76 56.292 -8.134 11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.893 -8.984 13.526 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.294 -9.565 13.108 1.00 0.00 H new ATOM 0 HG LEU A 76 56.806 -10.928 12.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.504 -12.500 13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.825 -10.849 14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.167 -11.494 14.588 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.275 -12.850 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.935 -11.876 12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.678 -11.442 10.902 1.00 0.00 H new ATOM 1169 N ALA A 77 54.265 -10.033 9.766 1.00 0.00 N ATOM 1170 CA ALA A 77 54.151 -10.909 8.610 1.00 0.00 C ATOM 1171 C ALA A 77 54.472 -10.144 7.330 1.00 0.00 C ATOM 1172 O ALA A 77 54.904 -10.732 6.336 1.00 0.00 O ATOM 1173 CB ALA A 77 52.726 -11.458 8.519 1.00 0.00 C ATOM 0 H ALA A 77 53.372 -9.736 10.159 1.00 0.00 H new ATOM 0 HA ALA A 77 54.859 -11.730 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.643 -12.114 7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.494 -12.021 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.023 -10.631 8.417 1.00 0.00 H new ATOM 1179 N ALA A 78 54.266 -8.829 7.360 1.00 0.00 N ATOM 1180 CA ALA A 78 54.543 -8.006 6.190 1.00 0.00 C ATOM 1181 C ALA A 78 56.043 -7.788 6.067 1.00 0.00 C ATOM 1182 O ALA A 78 56.615 -7.857 4.974 1.00 0.00 O ATOM 1183 CB ALA A 78 53.815 -6.660 6.303 1.00 0.00 C ATOM 0 H ALA A 78 53.914 -8.319 8.170 1.00 0.00 H new ATOM 0 HA ALA A 78 54.182 -8.517 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.030 -6.055 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 78 52.741 -6.832 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.156 -6.136 7.196 1.00 0.00 H new ATOM 1189 N VAL A 79 56.682 -7.563 7.205 1.00 0.00 N ATOM 1190 CA VAL A 79 58.118 -7.374 7.228 1.00 0.00 C ATOM 1191 C VAL A 79 58.780 -8.674 6.823 1.00 0.00 C ATOM 1192 O VAL A 79 59.728 -8.689 6.048 1.00 0.00 O ATOM 1193 CB VAL A 79 58.578 -6.986 8.640 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.380 -6.559 9.468 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.240 -8.189 9.309 1.00 0.00 C ATOM 0 H VAL A 79 56.229 -7.508 8.117 1.00 0.00 H new ATOM 0 HA VAL A 79 58.394 -6.576 6.538 1.00 0.00 H new ATOM 0 HB VAL A 79 59.289 -6.163 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.710 -6.284 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 79 56.899 -5.702 8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.670 -7.384 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.567 -7.914 10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.525 -9.009 9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.102 -8.504 8.720 1.00 0.00 H new ATOM 1205 N ILE A 80 58.262 -9.763 7.379 1.00 0.00 N ATOM 1206 CA ILE A 80 58.787 -11.079 7.106 1.00 0.00 C ATOM 1207 C ILE A 80 58.952 -11.258 5.635 1.00 0.00 C ATOM 1208 O ILE A 80 60.058 -11.452 5.149 1.00 0.00 O ATOM 1209 CB ILE A 80 57.852 -12.113 7.701 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.136 -12.141 9.206 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.093 -13.488 7.059 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.069 -13.296 9.551 1.00 0.00 C ATOM 0 H ILE A 80 57.473 -9.751 8.025 1.00 0.00 H new ATOM 0 HA ILE A 80 59.769 -11.203 7.563 1.00 0.00 H new ATOM 0 HB ILE A 80 56.808 -11.862 7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 80 58.586 -11.197 9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.201 -12.244 9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.413 -14.219 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 80 57.914 -13.425 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.123 -13.797 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.260 -13.301 10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.604 -14.238 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.011 -13.176 9.015 1.00 0.00 H new ATOM 1224 N ALA A 81 57.871 -11.132 4.913 1.00 0.00 N ATOM 1225 CA ALA A 81 57.976 -11.231 3.482 1.00 0.00 C ATOM 1226 C ALA A 81 59.129 -10.361 3.044 1.00 0.00 C ATOM 1227 O ALA A 81 59.762 -10.609 2.017 1.00 0.00 O ATOM 1228 CB ALA A 81 56.708 -10.735 2.827 1.00 0.00 C ATOM 0 H ALA A 81 56.933 -10.965 5.278 1.00 0.00 H new ATOM 0 HA ALA A 81 58.134 -12.270 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 81 56.802 -10.816 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 81 55.865 -11.338 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.541 -9.693 3.100 1.00 0.00 H new ATOM 1234 N LEU A 82 59.415 -9.341 3.855 1.00 0.00 N ATOM 1235 CA LEU A 82 60.510 -8.455 3.557 1.00 0.00 C ATOM 1236 C LEU A 82 61.761 -8.962 4.250 1.00 0.00 C ATOM 1237 O LEU A 82 62.859 -8.910 3.698 1.00 0.00 O ATOM 1238 CB LEU A 82 60.156 -7.040 4.002 1.00 0.00 C ATOM 1239 CG LEU A 82 60.447 -6.065 2.858 1.00 0.00 C ATOM 1240 CD1 LEU A 82 61.929 -6.165 2.468 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.561 -6.415 1.646 1.00 0.00 C ATOM 0 H LEU A 82 58.903 -9.121 4.709 1.00 0.00 H new ATOM 0 HA LEU A 82 60.699 -8.431 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.104 -6.987 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 82 60.735 -6.768 4.884 1.00 0.00 H new ATOM 0 HG LEU A 82 60.228 -5.047 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.138 -5.472 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.549 -5.913 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.152 -7.182 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 82 59.768 -5.721 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 82 59.777 -7.432 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 82 58.511 -6.340 1.929 1.00 0.00 H new ATOM 1253 N PHE A 83 61.579 -9.487 5.454 1.00 0.00 N ATOM 1254 CA PHE A 83 62.692 -10.037 6.191 1.00 0.00 C ATOM 1255 C PHE A 83 63.128 -11.315 5.501 1.00 0.00 C ATOM 1256 O PHE A 83 64.298 -11.697 5.530 1.00 0.00 O ATOM 1257 CB PHE A 83 62.303 -10.318 7.638 1.00 0.00 C ATOM 1258 CG PHE A 83 62.569 -9.123 8.515 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.897 -9.333 9.854 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.488 -7.818 8.006 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.144 -8.251 10.692 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.740 -6.731 8.850 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.068 -6.954 10.193 1.00 0.00 C ATOM 0 H PHE A 83 60.679 -9.540 5.931 1.00 0.00 H new ATOM 0 HA PHE A 83 63.512 -9.319 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.247 -10.582 7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 83 62.864 -11.176 8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.959 -10.339 10.241 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.233 -7.654 6.970 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.395 -8.417 11.729 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.682 -5.723 8.467 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.263 -6.115 10.845 1.00 0.00 H new ATOM 1273 N ASN A 84 62.161 -11.946 4.852 1.00 0.00 N ATOM 1274 CA ASN A 84 62.400 -13.162 4.109 1.00 0.00 C ATOM 1275 C ASN A 84 62.830 -12.790 2.714 1.00 0.00 C ATOM 1276 O ASN A 84 63.364 -13.599 1.956 1.00 0.00 O ATOM 1277 CB ASN A 84 61.108 -13.977 4.054 1.00 0.00 C ATOM 1278 CG ASN A 84 61.392 -15.455 4.303 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.280 -16.033 3.676 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.686 -16.105 5.188 1.00 0.00 N ATOM 0 H ASN A 84 61.193 -11.626 4.829 1.00 0.00 H new ATOM 0 HA ASN A 84 63.177 -13.757 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.406 -13.606 4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.634 -13.852 3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.870 -17.093 5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 84 59.951 -15.625 5.707 1.00 0.00 H new ATOM 1287 N SER A 85 62.577 -11.541 2.404 1.00 0.00 N ATOM 1288 CA SER A 85 62.922 -10.999 1.093 1.00 0.00 C ATOM 1289 C SER A 85 62.581 -9.514 1.008 1.00 0.00 C ATOM 1290 O SER A 85 61.518 -9.200 0.499 1.00 0.00 O ATOM 1291 CB SER A 85 62.169 -11.762 0.002 1.00 0.00 C ATOM 1292 OG SER A 85 60.833 -11.992 0.429 1.00 0.00 O ATOM 1293 OXT SER A 85 63.393 -8.715 1.443 1.00 0.00 O ATOM 0 H SER A 85 62.134 -10.874 3.035 1.00 0.00 H new ATOM 0 HA SER A 85 63.996 -11.115 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.173 -11.191 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 85 62.666 -12.710 -0.204 1.00 0.00 H new ATOM 0 HG SER A 85 60.491 -11.191 0.878 1.00 0.00 H new