USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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: B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 16 TYR OH : rot 0:sc= -3.11! USER MOD Set 2.1: A 1 MET CE :methyl -168:sc= -5.19! (180deg=-4!) USER MOD Set 2.2: A 5 LYS NZ :NH3+ 172:sc= -0.964 (180deg=-0.0531) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00311 (180deg=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.0695 (180deg=-0.608) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -1.26 (180deg=-1.92) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.273 (180deg=-1) USER MOD Single : A 15 ASN : amide:sc= 0.312 X(o=0.31,f=0) USER MOD Single : A 16 TYR OH : rot 15:sc= -0.0134 USER MOD Single : A 17 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.066) USER MOD Single : A 20 ASN : amide:sc= -0.62 K(o=-0.62,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -2.58 (180deg=-2.93!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -122:sc= 0 (180deg=-1.05) USER MOD Single : B 1 MET N :NH3+ -167:sc= 0 (180deg=-0.156) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : B 17 HIS : no HD1:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.41! C(o=-2.4!,f=-3!) USER MOD Single : B 26 LYS NZ :NH3+ 168:sc= 0.0746 (180deg=-0.784) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.769 -11.245 17.044 1.00 0.00 N ATOM 2 CA MET A 1 8.479 -11.271 15.777 1.00 0.00 C ATOM 3 C MET A 1 7.779 -12.245 14.825 1.00 0.00 C ATOM 4 O MET A 1 7.681 -11.933 13.630 1.00 0.00 O ATOM 5 CB MET A 1 9.927 -11.715 15.987 1.00 0.00 C ATOM 6 CG MET A 1 10.873 -10.964 15.046 1.00 0.00 C ATOM 7 SD MET A 1 12.344 -11.975 14.706 1.00 0.00 S ATOM 8 CE MET A 1 12.284 -12.020 12.891 1.00 0.00 C ATOM 0 H1 MET A 1 8.110 -10.447 17.617 1.00 0.00 H new ATOM 0 H2 MET A 1 6.750 -11.135 16.869 1.00 0.00 H new ATOM 0 H3 MET A 1 7.938 -12.135 17.555 1.00 0.00 H new ATOM 0 HA MET A 1 8.478 -10.269 15.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.220 -11.536 17.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.011 -12.788 15.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.360 -10.728 14.113 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.169 -10.016 15.495 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.984 -12.769 12.522 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.275 -12.275 12.567 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.556 -11.042 12.494 1.00 0.00 H new ATOM 18 N ASP A 2 7.314 -13.385 15.367 1.00 0.00 N ATOM 19 CA ASP A 2 6.632 -14.392 14.572 1.00 0.00 C ATOM 20 C ASP A 2 5.501 -13.731 13.781 1.00 0.00 C ATOM 21 O ASP A 2 5.307 -14.095 12.612 1.00 0.00 O ATOM 22 CB ASP A 2 6.016 -15.473 15.463 1.00 0.00 C ATOM 23 CG ASP A 2 6.801 -15.783 16.739 1.00 0.00 C ATOM 24 OD1 ASP A 2 7.836 -16.465 16.703 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.302 -15.286 17.821 1.00 0.00 O ATOM 0 H ASP A 2 7.404 -13.621 16.355 1.00 0.00 H new ATOM 0 HA ASP A 2 7.364 -14.848 13.905 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.008 -15.163 15.740 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.919 -16.390 14.882 1.00 0.00 H new ATOM 30 N ALA A 3 4.788 -12.788 14.424 1.00 0.00 N ATOM 31 CA ALA A 3 3.689 -12.085 13.784 1.00 0.00 C ATOM 32 C ALA A 3 4.238 -10.881 13.015 1.00 0.00 C ATOM 33 O ALA A 3 3.507 -10.335 12.175 1.00 0.00 O ATOM 34 CB ALA A 3 2.749 -11.521 14.851 1.00 0.00 C ATOM 0 H ALA A 3 4.963 -12.503 15.388 1.00 0.00 H new ATOM 0 HA ALA A 3 3.170 -12.781 13.125 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.926 -10.994 14.369 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.353 -12.337 15.455 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.298 -10.829 15.490 1.00 0.00 H new ATOM 40 N ILE A 4 5.492 -10.498 13.312 1.00 0.00 N ATOM 41 CA ILE A 4 6.128 -9.370 12.653 1.00 0.00 C ATOM 42 C ILE A 4 6.592 -9.796 11.258 1.00 0.00 C ATOM 43 O ILE A 4 6.355 -9.042 10.303 1.00 0.00 O ATOM 44 CB ILE A 4 7.248 -8.801 13.527 1.00 0.00 C ATOM 45 CG1 ILE A 4 6.707 -8.343 14.883 1.00 0.00 C ATOM 46 CG2 ILE A 4 7.997 -7.683 12.800 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.274 -6.974 15.265 1.00 0.00 C ATOM 0 H ILE A 4 6.077 -10.961 14.007 1.00 0.00 H new ATOM 0 HA ILE A 4 5.416 -8.556 12.518 1.00 0.00 H new ATOM 0 HB ILE A 4 7.968 -9.596 13.721 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.619 -8.293 14.846 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.967 -9.075 15.648 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.787 -7.296 13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.435 -8.076 11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.303 -6.879 12.555 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.874 -6.672 16.233 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.361 -7.034 15.325 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.992 -6.240 14.510 1.00 0.00 H new ATOM 59 N LYS A 5 7.235 -10.974 11.170 1.00 0.00 N ATOM 60 CA LYS A 5 7.726 -11.491 9.905 1.00 0.00 C ATOM 61 C LYS A 5 6.585 -11.497 8.885 1.00 0.00 C ATOM 62 O LYS A 5 6.853 -11.245 7.701 1.00 0.00 O ATOM 63 CB LYS A 5 8.381 -12.858 10.103 1.00 0.00 C ATOM 64 CG LYS A 5 9.517 -12.781 11.124 1.00 0.00 C ATOM 65 CD LYS A 5 9.214 -13.645 12.350 1.00 0.00 C ATOM 66 CE LYS A 5 9.911 -15.003 12.249 1.00 0.00 C ATOM 67 NZ LYS A 5 11.349 -14.866 12.530 1.00 0.00 N ATOM 0 H LYS A 5 7.421 -11.579 11.970 1.00 0.00 H new ATOM 0 HA LYS A 5 8.508 -10.844 9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.634 -13.577 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.768 -13.221 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.448 -13.112 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.664 -11.746 11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.542 -13.130 13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.137 -13.790 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.462 -15.702 12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.767 -15.419 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.782 -15.810 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.802 -14.326 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.480 -14.366 13.432 1.00 0.00 H new ATOM 81 N LYS A 6 5.358 -11.779 9.355 1.00 0.00 N ATOM 82 CA LYS A 6 4.191 -11.817 8.489 1.00 0.00 C ATOM 83 C LYS A 6 3.631 -10.402 8.333 1.00 0.00 C ATOM 84 O LYS A 6 3.084 -10.099 7.263 1.00 0.00 O ATOM 85 CB LYS A 6 3.169 -12.829 9.011 1.00 0.00 C ATOM 86 CG LYS A 6 3.858 -13.960 9.777 1.00 0.00 C ATOM 87 CD LYS A 6 3.059 -15.260 9.671 1.00 0.00 C ATOM 88 CE LYS A 6 3.213 -15.888 8.284 1.00 0.00 C ATOM 89 NZ LYS A 6 4.610 -16.290 8.053 1.00 0.00 N ATOM 0 H LYS A 6 5.159 -11.983 10.334 1.00 0.00 H new ATOM 0 HA LYS A 6 4.467 -12.163 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.455 -12.326 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.603 -13.243 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.862 -14.113 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.967 -13.681 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.399 -15.963 10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.006 -15.061 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.559 -16.756 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.902 -15.176 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.640 -17.045 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.155 -15.472 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.023 -16.638 8.942 1.00 0.00 H new ATOM 103 N LYS A 7 3.776 -9.577 9.386 1.00 0.00 N ATOM 104 CA LYS A 7 3.288 -8.209 9.365 1.00 0.00 C ATOM 105 C LYS A 7 3.810 -7.504 8.112 1.00 0.00 C ATOM 106 O LYS A 7 2.999 -6.898 7.396 1.00 0.00 O ATOM 107 CB LYS A 7 3.648 -7.492 10.668 1.00 0.00 C ATOM 108 CG LYS A 7 3.294 -6.005 10.592 1.00 0.00 C ATOM 109 CD LYS A 7 1.864 -5.807 10.088 1.00 0.00 C ATOM 110 CE LYS A 7 0.854 -6.453 11.039 1.00 0.00 C ATOM 111 NZ LYS A 7 1.312 -6.338 12.433 1.00 0.00 N ATOM 0 H LYS A 7 4.230 -9.846 10.259 1.00 0.00 H new ATOM 0 HA LYS A 7 2.200 -8.194 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.117 -7.954 11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.713 -7.606 10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.402 -5.551 11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.991 -5.495 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.652 -4.742 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.762 -6.241 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.118 -5.972 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.721 -7.503 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.503 -6.460 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.022 -7.073 12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.735 -5.400 12.583 1.00 0.00 H new ATOM 125 N MET A 8 5.131 -7.596 7.874 1.00 0.00 N ATOM 126 CA MET A 8 5.751 -6.972 6.719 1.00 0.00 C ATOM 127 C MET A 8 5.322 -7.715 5.452 1.00 0.00 C ATOM 128 O MET A 8 5.314 -7.095 4.378 1.00 0.00 O ATOM 129 CB MET A 8 7.275 -7.015 6.844 1.00 0.00 C ATOM 130 CG MET A 8 7.776 -8.456 6.964 1.00 0.00 C ATOM 131 SD MET A 8 9.559 -8.467 7.311 1.00 0.00 S ATOM 132 CE MET A 8 10.060 -9.915 6.335 1.00 0.00 C ATOM 0 H MET A 8 5.781 -8.101 8.476 1.00 0.00 H new ATOM 0 HA MET A 8 5.432 -5.931 6.665 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.728 -6.540 5.974 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.588 -6.444 7.718 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.239 -8.971 7.760 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.574 -8.998 6.040 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.135 -10.068 6.436 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.533 -10.798 6.697 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.814 -9.750 5.286 1.00 0.00 H new ATOM 142 N GLN A 9 4.979 -9.008 5.599 1.00 0.00 N ATOM 143 CA GLN A 9 4.553 -9.824 4.474 1.00 0.00 C ATOM 144 C GLN A 9 3.122 -9.447 4.089 1.00 0.00 C ATOM 145 O GLN A 9 2.763 -9.619 2.915 1.00 0.00 O ATOM 146 CB GLN A 9 4.661 -11.317 4.792 1.00 0.00 C ATOM 147 CG GLN A 9 6.095 -11.816 4.601 1.00 0.00 C ATOM 148 CD GLN A 9 6.110 -13.270 4.124 1.00 0.00 C ATOM 149 OE1 GLN A 9 5.868 -13.575 2.969 1.00 0.00 O ATOM 150 NE2 GLN A 9 6.407 -14.148 5.079 1.00 0.00 N ATOM 0 H GLN A 9 4.992 -9.500 6.492 1.00 0.00 H new ATOM 0 HA GLN A 9 5.215 -9.630 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.343 -11.498 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.987 -11.880 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.610 -11.186 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.641 -11.732 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.599 -13.825 6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.442 -15.144 4.863 1.00 0.00 H new ATOM 159 N MET A 10 2.346 -8.949 5.069 1.00 0.00 N ATOM 160 CA MET A 10 0.967 -8.554 4.832 1.00 0.00 C ATOM 161 C MET A 10 0.942 -7.150 4.224 1.00 0.00 C ATOM 162 O MET A 10 0.150 -6.923 3.298 1.00 0.00 O ATOM 163 CB MET A 10 0.181 -8.556 6.145 1.00 0.00 C ATOM 164 CG MET A 10 0.446 -9.835 6.941 1.00 0.00 C ATOM 165 SD MET A 10 -1.124 -10.658 7.336 1.00 0.00 S ATOM 166 CE MET A 10 -1.580 -9.759 8.847 1.00 0.00 C ATOM 0 H MET A 10 2.661 -8.815 6.030 1.00 0.00 H new ATOM 0 HA MET A 10 0.506 -9.264 4.145 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.461 -7.688 6.742 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.885 -8.469 5.935 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.083 -10.506 6.365 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.982 -9.597 7.860 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.528 -10.141 9.226 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.805 -9.898 9.601 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.681 -8.697 8.622 1.00 0.00 H new ATOM 176 N LEU A 11 1.794 -6.250 4.748 1.00 0.00 N ATOM 177 CA LEU A 11 1.868 -4.884 4.260 1.00 0.00 C ATOM 178 C LEU A 11 2.656 -4.857 2.948 1.00 0.00 C ATOM 179 O LEU A 11 2.436 -3.938 2.146 1.00 0.00 O ATOM 180 CB LEU A 11 2.436 -3.960 5.338 1.00 0.00 C ATOM 181 CG LEU A 11 1.652 -3.898 6.650 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.377 -3.029 7.681 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.217 -3.426 6.410 1.00 0.00 C ATOM 0 H LEU A 11 2.438 -6.457 5.512 1.00 0.00 H new ATOM 0 HA LEU A 11 0.870 -4.503 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.454 -4.278 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.499 -2.952 4.928 1.00 0.00 H new ATOM 0 HG LEU A 11 1.594 -4.906 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.799 -3.001 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.363 -3.449 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.487 -2.017 7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.318 -3.391 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.231 -2.431 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.286 -4.119 5.735 1.00 0.00 H new ATOM 195 N LYS A 12 3.544 -5.850 2.759 1.00 0.00 N ATOM 196 CA LYS A 12 4.355 -5.939 1.558 1.00 0.00 C ATOM 197 C LYS A 12 3.499 -6.474 0.408 1.00 0.00 C ATOM 198 O LYS A 12 3.744 -6.080 -0.742 1.00 0.00 O ATOM 199 CB LYS A 12 5.615 -6.765 1.821 1.00 0.00 C ATOM 200 CG LYS A 12 6.395 -7.004 0.527 1.00 0.00 C ATOM 201 CD LYS A 12 5.999 -8.336 -0.114 1.00 0.00 C ATOM 202 CE LYS A 12 6.641 -9.512 0.624 1.00 0.00 C ATOM 203 NZ LYS A 12 8.107 -9.373 0.640 1.00 0.00 N ATOM 0 H LYS A 12 3.709 -6.598 3.432 1.00 0.00 H new ATOM 0 HA LYS A 12 4.706 -4.950 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.249 -6.248 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.341 -7.721 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.205 -6.189 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.465 -7.001 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.914 -8.442 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.307 -8.346 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.263 -9.558 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.364 -10.448 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.545 -10.315 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.420 -8.892 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.394 -8.813 1.468 1.00 0.00 H new ATOM 217 N LEU A 13 2.527 -7.344 0.734 1.00 0.00 N ATOM 218 CA LEU A 13 1.646 -7.924 -0.264 1.00 0.00 C ATOM 219 C LEU A 13 0.548 -6.918 -0.615 1.00 0.00 C ATOM 220 O LEU A 13 0.252 -6.760 -1.809 1.00 0.00 O ATOM 221 CB LEU A 13 1.111 -9.276 0.214 1.00 0.00 C ATOM 222 CG LEU A 13 0.757 -10.284 -0.882 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.086 -11.429 -0.321 1.00 0.00 C ATOM 224 CD2 LEU A 13 0.074 -9.592 -2.062 1.00 0.00 C ATOM 0 H LEU A 13 2.341 -7.654 1.688 1.00 0.00 H new ATOM 0 HA LEU A 13 2.195 -8.131 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.856 -9.728 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.221 -9.099 0.818 1.00 0.00 H new ATOM 0 HG LEU A 13 1.682 -10.721 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.324 -12.131 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.473 -11.944 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.010 -11.029 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.167 -10.330 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.842 -9.111 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.744 -8.841 -2.481 1.00 0.00 H new ATOM 236 N ASP A 14 -0.025 -6.267 0.414 1.00 0.00 N ATOM 237 CA ASP A 14 -1.078 -5.287 0.215 1.00 0.00 C ATOM 238 C ASP A 14 -0.533 -4.120 -0.612 1.00 0.00 C ATOM 239 O ASP A 14 -1.309 -3.524 -1.373 1.00 0.00 O ATOM 240 CB ASP A 14 -1.573 -4.731 1.550 1.00 0.00 C ATOM 241 CG ASP A 14 -3.091 -4.591 1.671 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.764 -5.642 1.344 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.606 -3.531 2.058 1.00 0.00 O ATOM 0 H ASP A 14 0.233 -6.411 1.390 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.904 -5.779 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.219 -5.381 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.120 -3.753 1.709 1.00 0.00 H new ATOM 248 N ASN A 15 0.768 -3.823 -0.448 1.00 0.00 N ATOM 249 CA ASN A 15 1.407 -2.739 -1.174 1.00 0.00 C ATOM 250 C ASN A 15 1.375 -3.044 -2.673 1.00 0.00 C ATOM 251 O ASN A 15 0.946 -2.174 -3.444 1.00 0.00 O ATOM 252 CB ASN A 15 2.870 -2.582 -0.755 1.00 0.00 C ATOM 253 CG ASN A 15 3.384 -1.176 -1.072 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.811 -0.878 -2.175 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.319 -0.332 -0.047 1.00 0.00 N ATOM 0 H ASN A 15 1.389 -4.327 0.185 1.00 0.00 H new ATOM 0 HA ASN A 15 0.866 -1.820 -0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.969 -2.777 0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.481 -3.322 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.638 0.630 -0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.950 -0.647 0.850 1.00 0.00 H new ATOM 262 N TYR A 16 1.824 -4.255 -3.050 1.00 0.00 N ATOM 263 CA TYR A 16 1.824 -4.606 -4.460 1.00 0.00 C ATOM 264 C TYR A 16 0.386 -4.594 -4.984 1.00 0.00 C ATOM 265 O TYR A 16 0.190 -4.176 -6.134 1.00 0.00 O ATOM 266 CB TYR A 16 2.498 -5.975 -4.664 1.00 0.00 C ATOM 267 CG TYR A 16 3.870 -6.107 -4.019 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.534 -4.958 -3.530 1.00 0.00 C ATOM 269 CD2 TYR A 16 4.487 -7.374 -3.900 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.805 -5.075 -2.928 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.758 -7.490 -3.298 1.00 0.00 C ATOM 272 CZ TYR A 16 6.419 -6.340 -2.813 1.00 0.00 C ATOM 273 OH TYR A 16 7.649 -6.450 -2.231 1.00 0.00 O ATOM 0 H TYR A 16 2.176 -4.974 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 16 2.398 -3.874 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.846 -6.750 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.594 -6.162 -5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.067 -3.988 -3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.984 -8.255 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.308 -4.195 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.226 -8.459 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 16 7.855 -5.625 -1.744 1.00 0.00 H new ATOM 283 N HIS A 17 -0.569 -5.051 -4.155 1.00 0.00 N ATOM 284 CA HIS A 17 -1.968 -5.098 -4.545 1.00 0.00 C ATOM 285 C HIS A 17 -2.499 -3.670 -4.694 1.00 0.00 C ATOM 286 O HIS A 17 -3.365 -3.449 -5.553 1.00 0.00 O ATOM 287 CB HIS A 17 -2.784 -5.934 -3.558 1.00 0.00 C ATOM 288 CG HIS A 17 -4.015 -5.236 -3.031 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.199 -5.165 -3.744 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.233 -4.580 -1.855 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.083 -4.494 -3.020 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.482 -4.131 -1.851 1.00 0.00 N ATOM 0 H HIS A 17 -0.385 -5.391 -3.211 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.065 -5.593 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.086 -6.861 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.147 -6.209 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.512 -4.448 -1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.101 -4.273 -3.306 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.920 -3.601 -1.097 1.00 0.00 H new ATOM 300 N LEU A 18 -1.981 -2.745 -3.866 1.00 0.00 N ATOM 301 CA LEU A 18 -2.401 -1.355 -3.905 1.00 0.00 C ATOM 302 C LEU A 18 -1.753 -0.665 -5.106 1.00 0.00 C ATOM 303 O LEU A 18 -2.462 0.052 -5.829 1.00 0.00 O ATOM 304 CB LEU A 18 -2.108 -0.668 -2.569 1.00 0.00 C ATOM 305 CG LEU A 18 -2.976 -1.102 -1.387 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.274 -0.820 -0.058 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.359 -0.450 -1.454 1.00 0.00 C ATOM 0 H LEU A 18 -1.269 -2.948 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.480 -1.287 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.064 -0.847 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.223 0.408 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.124 -2.180 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.913 -1.138 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.333 -1.369 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.075 0.248 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.956 -0.775 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.252 0.634 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.856 -0.744 -2.379 1.00 0.00 H new ATOM 319 N GLU A 19 -0.440 -0.890 -5.294 1.00 0.00 N ATOM 320 CA GLU A 19 0.294 -0.293 -6.398 1.00 0.00 C ATOM 321 C GLU A 19 -0.178 -0.916 -7.714 1.00 0.00 C ATOM 322 O GLU A 19 -0.168 -0.214 -8.736 1.00 0.00 O ATOM 323 CB GLU A 19 1.804 -0.461 -6.223 1.00 0.00 C ATOM 324 CG GLU A 19 2.516 0.893 -6.286 1.00 0.00 C ATOM 325 CD GLU A 19 1.996 1.836 -5.200 1.00 0.00 C ATOM 326 OE1 GLU A 19 1.234 1.285 -4.318 1.00 0.00 O ATOM 327 OE2 GLU A 19 2.316 3.035 -5.215 1.00 0.00 O ATOM 0 H GLU A 19 0.126 -1.484 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 19 0.093 0.778 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.012 -0.941 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.193 -1.118 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.590 0.749 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.364 1.343 -7.267 1.00 0.00 H new ATOM 334 N ASN A 20 -0.576 -2.200 -7.664 1.00 0.00 N ATOM 335 CA ASN A 20 -1.046 -2.906 -8.843 1.00 0.00 C ATOM 336 C ASN A 20 -2.417 -2.360 -9.246 1.00 0.00 C ATOM 337 O ASN A 20 -2.707 -2.326 -10.451 1.00 0.00 O ATOM 338 CB ASN A 20 -1.198 -4.403 -8.564 1.00 0.00 C ATOM 339 CG ASN A 20 0.104 -5.151 -8.861 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.918 -4.736 -9.670 1.00 0.00 O ATOM 341 ND2 ASN A 20 0.257 -6.271 -8.160 1.00 0.00 N ATOM 0 H ASN A 20 -0.577 -2.761 -6.812 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.315 -2.759 -9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.480 -4.556 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.003 -4.811 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.095 -6.840 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.463 -6.561 -7.499 1.00 0.00 H new ATOM 348 N GLU A 21 -3.220 -1.951 -8.248 1.00 0.00 N ATOM 349 CA GLU A 21 -4.546 -1.412 -8.498 1.00 0.00 C ATOM 350 C GLU A 21 -4.429 0.065 -8.879 1.00 0.00 C ATOM 351 O GLU A 21 -5.098 0.483 -9.835 1.00 0.00 O ATOM 352 CB GLU A 21 -5.465 -1.595 -7.287 1.00 0.00 C ATOM 353 CG GLU A 21 -6.854 -2.068 -7.720 1.00 0.00 C ATOM 354 CD GLU A 21 -7.865 -1.914 -6.581 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.384 -2.097 -5.398 1.00 0.00 O ATOM 356 OE2 GLU A 21 -9.046 -1.634 -6.834 1.00 0.00 O ATOM 0 H GLU A 21 -2.962 -1.988 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.996 -1.962 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.028 -2.320 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.550 -0.653 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.185 -1.493 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.806 -3.112 -8.030 1.00 0.00 H new ATOM 363 N VAL A 22 -3.595 0.814 -8.135 1.00 0.00 N ATOM 364 CA VAL A 22 -3.394 2.229 -8.393 1.00 0.00 C ATOM 365 C VAL A 22 -2.721 2.405 -9.757 1.00 0.00 C ATOM 366 O VAL A 22 -2.995 3.412 -10.425 1.00 0.00 O ATOM 367 CB VAL A 22 -2.600 2.863 -7.249 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.934 4.165 -7.698 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.490 3.095 -6.027 1.00 0.00 C ATOM 0 H VAL A 22 -3.054 0.450 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.351 2.749 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.812 2.166 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.376 4.594 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.253 3.959 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.698 4.870 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.901 3.546 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.309 3.762 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.895 2.142 -5.685 1.00 0.00 H new ATOM 379 N ALA A 23 -1.866 1.436 -10.134 1.00 0.00 N ATOM 380 CA ALA A 23 -1.163 1.484 -11.405 1.00 0.00 C ATOM 381 C ALA A 23 -2.182 1.542 -12.545 1.00 0.00 C ATOM 382 O ALA A 23 -1.808 1.967 -13.649 1.00 0.00 O ATOM 383 CB ALA A 23 -0.371 0.190 -11.603 1.00 0.00 C ATOM 0 H ALA A 23 -1.653 0.615 -9.568 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.508 2.355 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.155 0.228 -12.557 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.351 0.078 -10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.054 -0.659 -11.599 1.00 0.00 H new ATOM 389 N ARG A 24 -3.428 1.121 -12.262 1.00 0.00 N ATOM 390 CA ARG A 24 -4.486 1.125 -13.256 1.00 0.00 C ATOM 391 C ARG A 24 -5.245 2.452 -13.182 1.00 0.00 C ATOM 392 O ARG A 24 -5.586 2.996 -14.243 1.00 0.00 O ATOM 393 CB ARG A 24 -5.469 -0.028 -13.039 1.00 0.00 C ATOM 394 CG ARG A 24 -4.775 -1.221 -12.381 1.00 0.00 C ATOM 395 CD ARG A 24 -5.767 -2.358 -12.122 1.00 0.00 C ATOM 396 NE ARG A 24 -5.633 -3.395 -13.171 1.00 0.00 N ATOM 397 CZ ARG A 24 -5.624 -4.722 -12.925 1.00 0.00 C ATOM 398 NH1 ARG A 24 -5.742 -5.150 -11.661 1.00 0.00 N ATOM 399 NH2 ARG A 24 -5.499 -5.599 -13.932 1.00 0.00 N ATOM 0 H ARG A 24 -3.715 0.775 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.027 1.001 -14.237 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.296 0.307 -12.413 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.895 -0.332 -13.995 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.968 -1.576 -13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.321 -0.909 -11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.583 -2.796 -11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.785 -1.968 -12.112 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.542 -3.087 -14.139 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.837 -4.476 -10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.737 -6.150 -11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.410 -5.265 -14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.493 -6.600 -13.738 1.00 0.00 H new ATOM 413 N LEU A 25 -5.488 2.938 -11.952 1.00 0.00 N ATOM 414 CA LEU A 25 -6.199 4.190 -11.745 1.00 0.00 C ATOM 415 C LEU A 25 -5.286 5.358 -12.123 1.00 0.00 C ATOM 416 O LEU A 25 -5.782 6.326 -12.716 1.00 0.00 O ATOM 417 CB LEU A 25 -6.739 4.268 -10.316 1.00 0.00 C ATOM 418 CG LEU A 25 -7.888 3.316 -9.979 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.374 1.890 -9.769 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.685 3.821 -8.776 1.00 0.00 C ATOM 0 H LEU A 25 -5.198 2.474 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.072 4.245 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.917 4.072 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.073 5.289 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.571 3.291 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.211 1.233 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.887 1.541 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.658 1.879 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.495 3.125 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.028 3.895 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.101 4.803 -9.001 1.00 0.00 H new ATOM 432 N LYS A 26 -3.990 5.246 -11.777 1.00 0.00 N ATOM 433 CA LYS A 26 -3.021 6.287 -12.078 1.00 0.00 C ATOM 434 C LYS A 26 -2.984 6.521 -13.589 1.00 0.00 C ATOM 435 O LYS A 26 -2.700 7.654 -14.003 1.00 0.00 O ATOM 436 CB LYS A 26 -1.658 5.938 -11.476 1.00 0.00 C ATOM 437 CG LYS A 26 -1.342 6.836 -10.277 1.00 0.00 C ATOM 438 CD LYS A 26 -2.591 7.071 -9.425 1.00 0.00 C ATOM 439 CE LYS A 26 -3.223 8.428 -9.739 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.223 9.286 -8.543 1.00 0.00 N ATOM 0 H LYS A 26 -3.601 4.440 -11.289 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.317 7.229 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.651 4.893 -11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.882 6.050 -12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.563 6.376 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.951 7.791 -10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.315 6.277 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.328 7.024 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.672 8.915 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.244 8.287 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.396 10.272 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.972 8.974 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.301 9.218 -8.067 1.00 0.00 H new ATOM 454 N LYS A 27 -3.267 5.464 -14.370 1.00 0.00 N ATOM 455 CA LYS A 27 -3.264 5.555 -15.821 1.00 0.00 C ATOM 456 C LYS A 27 -4.600 6.133 -16.292 1.00 0.00 C ATOM 457 O LYS A 27 -4.692 6.525 -17.465 1.00 0.00 O ATOM 458 CB LYS A 27 -2.927 4.198 -16.443 1.00 0.00 C ATOM 459 CG LYS A 27 -1.929 4.354 -17.590 1.00 0.00 C ATOM 460 CD LYS A 27 -0.633 3.595 -17.296 1.00 0.00 C ATOM 461 CE LYS A 27 -0.917 2.121 -16.997 1.00 0.00 C ATOM 462 NZ LYS A 27 -0.269 1.257 -17.998 1.00 0.00 N ATOM 0 H LYS A 27 -3.500 4.539 -14.009 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.483 6.236 -16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.511 3.538 -15.682 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.838 3.726 -16.811 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.371 3.982 -18.514 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.709 5.410 -17.744 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.040 3.674 -18.150 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.125 4.051 -16.446 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.553 1.869 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.993 1.945 -16.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.472 0.261 -17.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.636 1.486 -18.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.759 1.413 -17.978 1.00 0.00 H new ATOM 476 N LEU A 28 -5.593 6.173 -15.386 1.00 0.00 N ATOM 477 CA LEU A 28 -6.909 6.699 -15.708 1.00 0.00 C ATOM 478 C LEU A 28 -7.059 8.094 -15.099 1.00 0.00 C ATOM 479 O LEU A 28 -7.777 8.919 -15.684 1.00 0.00 O ATOM 480 CB LEU A 28 -7.998 5.717 -15.271 1.00 0.00 C ATOM 481 CG LEU A 28 -9.047 5.366 -16.329 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.556 4.231 -17.232 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.393 5.039 -15.680 1.00 0.00 C ATOM 0 H LEU A 28 -5.497 5.844 -14.425 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.023 6.808 -16.787 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.518 4.795 -14.944 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.510 6.135 -14.404 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.199 6.240 -16.962 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.320 4.001 -17.975 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.640 4.538 -17.736 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.359 3.345 -16.628 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.120 4.793 -16.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.276 4.188 -15.009 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.743 5.902 -15.114 1.00 0.00 H new ATOM 495 N VAL A 29 -6.390 8.328 -13.956 1.00 0.00 N ATOM 496 CA VAL A 29 -6.450 9.611 -13.277 1.00 0.00 C ATOM 497 C VAL A 29 -5.080 10.291 -13.361 1.00 0.00 C ATOM 498 O VAL A 29 -5.007 11.404 -13.900 1.00 0.00 O ATOM 499 CB VAL A 29 -6.935 9.421 -11.839 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.314 10.763 -11.207 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.107 8.439 -11.782 1.00 0.00 C ATOM 0 H VAL A 29 -5.803 7.635 -13.491 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.171 10.268 -13.764 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.114 8.998 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.656 10.600 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.444 11.420 -11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.113 11.226 -11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.433 8.321 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.933 8.822 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.791 7.473 -12.175 1.00 0.00 H new ATOM 511 N GLY A 30 -4.042 9.618 -12.833 1.00 0.00 N ATOM 512 CA GLY A 30 -2.691 10.154 -12.848 1.00 0.00 C ATOM 513 C GLY A 30 -2.228 10.317 -14.297 1.00 0.00 C ATOM 514 O GLY A 30 -1.083 10.745 -14.506 1.00 0.00 O ATOM 0 H GLY A 30 -4.125 8.702 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.663 11.115 -12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.017 9.487 -12.311 1.00 0.00 H new ATOM 518 N GLU A 31 -3.111 9.979 -15.253 1.00 0.00 N ATOM 519 CA GLU A 31 -2.794 10.088 -16.668 1.00 0.00 C ATOM 520 C GLU A 31 -2.083 11.418 -16.925 1.00 0.00 C ATOM 521 O GLU A 31 -2.399 12.398 -16.236 1.00 0.00 O ATOM 522 CB GLU A 31 -4.048 9.959 -17.536 1.00 0.00 C ATOM 523 CG GLU A 31 -5.301 10.354 -16.751 1.00 0.00 C ATOM 524 CD GLU A 31 -6.543 10.307 -17.643 1.00 0.00 C ATOM 525 OE1 GLU A 31 -6.404 9.639 -18.738 1.00 0.00 O ATOM 526 OE2 GLU A 31 -7.582 10.887 -17.291 1.00 0.00 O ATOM 0 H GLU A 31 -4.049 9.628 -15.060 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.132 9.267 -16.943 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.952 10.593 -18.417 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.145 8.933 -17.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.431 9.681 -15.904 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.179 11.358 -16.344 1.00 0.00 H new ATOM 533 N ARG A 32 -1.151 11.423 -17.896 1.00 0.00 N ATOM 534 CA ARG A 32 -0.405 12.622 -18.239 1.00 0.00 C ATOM 535 C ARG A 32 -1.363 13.813 -18.307 1.00 0.00 C ATOM 536 O ARG A 32 -1.335 14.686 -17.442 1.00 0.00 O ATOM 537 CB ARG A 32 0.311 12.475 -19.583 1.00 0.00 C ATOM 538 CG ARG A 32 0.650 11.010 -19.866 1.00 0.00 C ATOM 539 CD ARG A 32 1.503 10.418 -18.744 1.00 0.00 C ATOM 540 NE ARG A 32 0.828 9.235 -18.165 1.00 0.00 N ATOM 541 CZ ARG A 32 1.244 7.963 -18.344 1.00 0.00 C ATOM 542 NH1 ARG A 32 2.335 7.735 -19.087 1.00 0.00 N ATOM 543 NH2 ARG A 32 0.577 6.944 -17.785 1.00 0.00 N ATOM 0 H ARG A 32 -0.905 10.603 -18.451 1.00 0.00 H new ATOM 0 HA ARG A 32 0.349 12.782 -17.468 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.321 12.866 -20.380 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.225 13.069 -19.579 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.269 10.434 -19.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.184 10.933 -20.813 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.482 10.135 -19.131 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.670 11.167 -17.970 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.004 9.390 -17.595 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.838 8.516 -19.508 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.663 6.780 -19.232 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.252 7.126 -17.219 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.898 5.986 -17.925 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 15.878 -7.455 12.856 1.00 0.00 N ATOM 559 CA MET B 1 14.643 -7.073 13.518 1.00 0.00 C ATOM 560 C MET B 1 14.588 -5.549 13.645 1.00 0.00 C ATOM 561 O MET B 1 13.508 -4.978 13.435 1.00 0.00 O ATOM 562 CB MET B 1 14.567 -7.705 14.910 1.00 0.00 C ATOM 563 CG MET B 1 13.121 -8.030 15.287 1.00 0.00 C ATOM 564 SD MET B 1 12.877 -7.805 17.073 1.00 0.00 S ATOM 565 CE MET B 1 11.068 -7.661 17.130 1.00 0.00 C ATOM 0 H1 MET B 1 15.824 -8.454 12.570 1.00 0.00 H new ATOM 0 H2 MET B 1 16.019 -6.861 12.014 1.00 0.00 H new ATOM 0 H3 MET B 1 16.677 -7.324 13.509 1.00 0.00 H new ATOM 0 HA MET B 1 13.799 -7.426 12.926 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.166 -8.615 14.933 1.00 0.00 H new ATOM 0 HB3 MET B 1 14.994 -7.024 15.646 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.439 -7.384 14.734 1.00 0.00 H new ATOM 0 HG3 MET B 1 12.886 -9.057 15.006 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.793 -6.708 17.582 1.00 0.00 H new ATOM 0 HE2 MET B 1 10.667 -7.712 16.118 1.00 0.00 H new ATOM 0 HE3 MET B 1 10.657 -8.477 17.724 1.00 0.00 H new ATOM 575 N ASP B 2 15.735 -4.932 13.981 1.00 0.00 N ATOM 576 CA ASP B 2 15.816 -3.489 14.134 1.00 0.00 C ATOM 577 C ASP B 2 15.223 -2.815 12.894 1.00 0.00 C ATOM 578 O ASP B 2 14.587 -1.761 13.043 1.00 0.00 O ATOM 579 CB ASP B 2 17.269 -3.030 14.271 1.00 0.00 C ATOM 580 CG ASP B 2 18.063 -3.721 15.382 1.00 0.00 C ATOM 581 OD1 ASP B 2 17.894 -4.924 15.633 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.895 -2.962 16.010 1.00 0.00 O ATOM 0 H ASP B 2 16.614 -5.421 14.150 1.00 0.00 H new ATOM 0 HA ASP B 2 15.264 -3.214 15.033 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.779 -3.198 13.322 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.279 -1.955 14.452 1.00 0.00 H new ATOM 587 N ALA B 3 15.438 -3.426 11.715 1.00 0.00 N ATOM 588 CA ALA B 3 14.928 -2.888 10.465 1.00 0.00 C ATOM 589 C ALA B 3 13.533 -3.458 10.202 1.00 0.00 C ATOM 590 O ALA B 3 12.811 -2.889 9.371 1.00 0.00 O ATOM 591 CB ALA B 3 15.809 -3.359 9.306 1.00 0.00 C ATOM 0 H ALA B 3 15.964 -4.294 11.614 1.00 0.00 H new ATOM 0 HA ALA B 3 14.913 -1.800 10.537 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.425 -2.955 8.369 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.830 -3.010 9.460 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.800 -4.448 9.262 1.00 0.00 H new ATOM 597 N ILE B 4 13.186 -4.551 10.905 1.00 0.00 N ATOM 598 CA ILE B 4 11.889 -5.188 10.748 1.00 0.00 C ATOM 599 C ILE B 4 10.822 -4.341 11.444 1.00 0.00 C ATOM 600 O ILE B 4 9.770 -4.100 10.835 1.00 0.00 O ATOM 601 CB ILE B 4 11.942 -6.637 11.237 1.00 0.00 C ATOM 602 CG1 ILE B 4 12.943 -7.455 10.420 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.547 -7.268 11.233 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.342 -8.798 10.001 1.00 0.00 C ATOM 0 H ILE B 4 13.795 -5.004 11.586 1.00 0.00 H new ATOM 0 HA ILE B 4 11.615 -5.242 9.694 1.00 0.00 H new ATOM 0 HB ILE B 4 12.293 -6.637 12.269 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.240 -6.893 9.534 1.00 0.00 H new ATOM 0 HG13 ILE B 4 13.845 -7.624 11.008 1.00 0.00 H new ATOM 0 HG21 ILE B 4 10.612 -8.298 11.585 1.00 0.00 H new ATOM 0 HG22 ILE B 4 9.889 -6.701 11.891 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.145 -7.255 10.220 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.075 -9.360 9.421 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.069 -9.367 10.889 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.454 -8.625 9.393 1.00 0.00 H new ATOM 616 N LYS B 5 11.110 -3.915 12.687 1.00 0.00 N ATOM 617 CA LYS B 5 10.181 -3.104 13.456 1.00 0.00 C ATOM 618 C LYS B 5 9.796 -1.867 12.643 1.00 0.00 C ATOM 619 O LYS B 5 8.648 -1.416 12.765 1.00 0.00 O ATOM 620 CB LYS B 5 10.767 -2.777 14.832 1.00 0.00 C ATOM 621 CG LYS B 5 12.296 -2.810 14.798 1.00 0.00 C ATOM 622 CD LYS B 5 12.889 -1.800 15.783 1.00 0.00 C ATOM 623 CE LYS B 5 13.060 -2.423 17.170 1.00 0.00 C ATOM 624 NZ LYS B 5 12.902 -1.401 18.217 1.00 0.00 N ATOM 0 H LYS B 5 11.983 -4.125 13.171 1.00 0.00 H new ATOM 0 HA LYS B 5 9.262 -3.658 13.649 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.428 -1.791 15.151 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.400 -3.493 15.567 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.647 -3.812 15.044 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.646 -2.588 13.790 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.854 -1.452 15.415 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.239 -0.927 15.850 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.325 -3.215 17.313 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.044 -2.884 17.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.021 -1.841 19.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 13.620 -0.659 18.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.953 -0.980 18.151 1.00 0.00 H new ATOM 638 N LYS B 6 10.746 -1.352 11.843 1.00 0.00 N ATOM 639 CA LYS B 6 10.507 -0.179 11.019 1.00 0.00 C ATOM 640 C LYS B 6 9.941 -0.618 9.666 1.00 0.00 C ATOM 641 O LYS B 6 9.211 0.172 9.049 1.00 0.00 O ATOM 642 CB LYS B 6 11.777 0.666 10.909 1.00 0.00 C ATOM 643 CG LYS B 6 12.496 0.754 12.257 1.00 0.00 C ATOM 644 CD LYS B 6 13.750 1.626 12.154 1.00 0.00 C ATOM 645 CE LYS B 6 13.932 2.474 13.414 1.00 0.00 C ATOM 646 NZ LYS B 6 15.172 2.099 14.113 1.00 0.00 N ATOM 0 H LYS B 6 11.686 -1.739 11.757 1.00 0.00 H new ATOM 0 HA LYS B 6 9.761 0.467 11.483 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.444 0.231 10.165 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.523 1.668 10.562 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.822 1.168 13.007 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.771 -0.246 12.593 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.626 0.994 12.007 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.675 2.275 11.282 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.963 3.530 13.147 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.078 2.338 14.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.280 2.684 14.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.128 1.096 14.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 15.985 2.252 13.483 1.00 0.00 H new ATOM 660 N LYS B 7 10.283 -1.847 9.241 1.00 0.00 N ATOM 661 CA LYS B 7 9.812 -2.381 7.974 1.00 0.00 C ATOM 662 C LYS B 7 8.284 -2.319 7.935 1.00 0.00 C ATOM 663 O LYS B 7 7.740 -1.818 6.941 1.00 0.00 O ATOM 664 CB LYS B 7 10.377 -3.784 7.742 1.00 0.00 C ATOM 665 CG LYS B 7 9.916 -4.345 6.395 1.00 0.00 C ATOM 666 CD LYS B 7 9.993 -3.277 5.302 1.00 0.00 C ATOM 667 CE LYS B 7 10.174 -3.916 3.924 1.00 0.00 C ATOM 668 NZ LYS B 7 11.395 -3.409 3.276 1.00 0.00 N ATOM 0 H LYS B 7 10.885 -2.481 9.765 1.00 0.00 H new ATOM 0 HA LYS B 7 10.176 -1.774 7.145 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.466 -3.751 7.773 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.055 -4.447 8.545 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.537 -5.197 6.120 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.893 -4.711 6.480 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.084 -2.675 5.311 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.824 -2.602 5.506 1.00 0.00 H new ATOM 0 HE2 LYS B 7 10.232 -5.000 4.024 1.00 0.00 H new ATOM 0 HE3 LYS B 7 9.307 -3.699 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 11.502 -3.853 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 11.325 -2.378 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 12.221 -3.638 3.865 1.00 0.00 H new ATOM 682 N MET B 8 7.635 -2.821 9.001 1.00 0.00 N ATOM 683 CA MET B 8 6.184 -2.822 9.086 1.00 0.00 C ATOM 684 C MET B 8 5.682 -1.380 9.190 1.00 0.00 C ATOM 685 O MET B 8 4.532 -1.128 8.801 1.00 0.00 O ATOM 686 CB MET B 8 5.724 -3.612 10.314 1.00 0.00 C ATOM 687 CG MET B 8 6.307 -3.019 11.598 1.00 0.00 C ATOM 688 SD MET B 8 5.457 -3.714 13.046 1.00 0.00 S ATOM 689 CE MET B 8 4.054 -2.567 13.169 1.00 0.00 C ATOM 0 H MET B 8 8.103 -3.229 9.810 1.00 0.00 H new ATOM 0 HA MET B 8 5.776 -3.293 8.191 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.635 -3.606 10.368 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.032 -4.653 10.217 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.374 -3.233 11.655 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.199 -1.934 11.589 1.00 0.00 H new ATOM 0 HE1 MET B 8 3.425 -2.851 14.013 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.425 -1.553 13.318 1.00 0.00 H new ATOM 0 HE3 MET B 8 3.469 -2.608 12.250 1.00 0.00 H new ATOM 699 N GLN B 9 6.539 -0.480 9.703 1.00 0.00 N ATOM 700 CA GLN B 9 6.185 0.921 9.854 1.00 0.00 C ATOM 701 C GLN B 9 6.304 1.622 8.500 1.00 0.00 C ATOM 702 O GLN B 9 5.641 2.652 8.308 1.00 0.00 O ATOM 703 CB GLN B 9 7.055 1.611 10.907 1.00 0.00 C ATOM 704 CG GLN B 9 6.676 1.154 12.317 1.00 0.00 C ATOM 705 CD GLN B 9 7.182 2.142 13.369 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.664 3.234 13.532 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.223 1.701 14.070 1.00 0.00 N ATOM 0 H GLN B 9 7.482 -0.710 10.018 1.00 0.00 H new ATOM 0 HA GLN B 9 5.154 0.985 10.203 1.00 0.00 H new ATOM 0 HB2 GLN B 9 8.105 1.388 10.719 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.939 2.692 10.828 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.593 1.059 12.393 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.097 0.167 12.508 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.609 0.775 13.883 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.635 2.288 14.795 1.00 0.00 H new ATOM 716 N MET B 10 7.133 1.060 7.602 1.00 0.00 N ATOM 717 CA MET B 10 7.335 1.628 6.280 1.00 0.00 C ATOM 718 C MET B 10 6.195 1.185 5.359 1.00 0.00 C ATOM 719 O MET B 10 5.692 2.024 4.597 1.00 0.00 O ATOM 720 CB MET B 10 8.671 1.162 5.698 1.00 0.00 C ATOM 721 CG MET B 10 9.802 1.339 6.712 1.00 0.00 C ATOM 722 SD MET B 10 11.152 2.306 5.975 1.00 0.00 S ATOM 723 CE MET B 10 12.572 1.588 6.853 1.00 0.00 C ATOM 0 H MET B 10 7.670 0.211 7.780 1.00 0.00 H new ATOM 0 HA MET B 10 7.346 2.715 6.360 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.599 0.114 5.407 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.896 1.729 4.795 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.427 1.843 7.603 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.173 0.364 7.029 1.00 0.00 H new ATOM 0 HE1 MET B 10 13.490 2.072 6.518 1.00 0.00 H new ATOM 0 HE2 MET B 10 12.452 1.741 7.925 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.627 0.520 6.643 1.00 0.00 H new ATOM 733 N LEU B 11 5.816 -0.102 5.447 1.00 0.00 N ATOM 734 CA LEU B 11 4.746 -0.648 4.629 1.00 0.00 C ATOM 735 C LEU B 11 3.397 -0.217 5.208 1.00 0.00 C ATOM 736 O LEU B 11 2.425 -0.137 4.442 1.00 0.00 O ATOM 737 CB LEU B 11 4.899 -2.164 4.488 1.00 0.00 C ATOM 738 CG LEU B 11 6.216 -2.651 3.880 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.377 -4.162 4.063 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.327 -2.237 2.411 1.00 0.00 C ATOM 0 H LEU B 11 6.243 -0.776 6.082 1.00 0.00 H new ATOM 0 HA LEU B 11 4.800 -0.250 3.616 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.789 -2.614 5.475 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.079 -2.537 3.875 1.00 0.00 H new ATOM 0 HG LEU B 11 7.037 -2.172 4.413 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.321 -4.483 3.622 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.372 -4.402 5.126 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.553 -4.678 3.571 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.272 -2.595 2.002 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.501 -2.670 1.847 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.288 -1.150 2.335 1.00 0.00 H new ATOM 752 N LYS B 12 3.364 0.050 6.525 1.00 0.00 N ATOM 753 CA LYS B 12 2.145 0.468 7.197 1.00 0.00 C ATOM 754 C LYS B 12 1.869 1.937 6.874 1.00 0.00 C ATOM 755 O LYS B 12 0.690 2.309 6.780 1.00 0.00 O ATOM 756 CB LYS B 12 2.231 0.173 8.696 1.00 0.00 C ATOM 757 CG LYS B 12 0.944 0.591 9.411 1.00 0.00 C ATOM 758 CD LYS B 12 0.326 -0.592 10.160 1.00 0.00 C ATOM 759 CE LYS B 12 -0.865 -1.166 9.388 1.00 0.00 C ATOM 760 NZ LYS B 12 -1.924 -1.593 10.317 1.00 0.00 N ATOM 0 H LYS B 12 4.177 -0.020 7.138 1.00 0.00 H new ATOM 0 HA LYS B 12 1.293 -0.105 6.832 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.409 -0.891 8.851 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.080 0.704 9.127 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.158 1.398 10.112 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.230 0.980 8.685 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.078 -1.368 10.306 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.002 -0.271 11.150 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.256 -0.416 8.701 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.540 -2.013 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -2.724 -1.980 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -1.551 -2.324 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -2.246 -0.777 10.876 1.00 0.00 H new ATOM 774 N LEU B 13 2.942 2.731 6.712 1.00 0.00 N ATOM 775 CA LEU B 13 2.815 4.145 6.402 1.00 0.00 C ATOM 776 C LEU B 13 2.376 4.306 4.946 1.00 0.00 C ATOM 777 O LEU B 13 1.470 5.112 4.689 1.00 0.00 O ATOM 778 CB LEU B 13 4.111 4.886 6.739 1.00 0.00 C ATOM 779 CG LEU B 13 4.000 6.406 6.869 1.00 0.00 C ATOM 780 CD1 LEU B 13 5.326 7.084 6.519 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.841 6.944 6.029 1.00 0.00 C ATOM 0 H LEU B 13 3.905 2.405 6.793 1.00 0.00 H new ATOM 0 HA LEU B 13 2.043 4.603 7.021 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.500 4.489 7.676 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.847 4.660 5.967 1.00 0.00 H new ATOM 0 HG LEU B 13 3.781 6.646 7.910 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.220 8.164 6.619 1.00 0.00 H new ATOM 0 HD12 LEU B 13 6.105 6.731 7.195 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.599 6.840 5.492 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.784 8.027 6.139 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.005 6.694 4.981 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.907 6.495 6.368 1.00 0.00 H new ATOM 793 N ASP B 14 3.016 3.549 4.036 1.00 0.00 N ATOM 794 CA ASP B 14 2.693 3.608 2.621 1.00 0.00 C ATOM 795 C ASP B 14 1.247 3.156 2.413 1.00 0.00 C ATOM 796 O ASP B 14 0.588 3.686 1.506 1.00 0.00 O ATOM 797 CB ASP B 14 3.600 2.680 1.810 1.00 0.00 C ATOM 798 CG ASP B 14 4.098 3.257 0.484 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.696 4.398 0.576 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.923 2.650 -0.583 1.00 0.00 O ATOM 0 H ASP B 14 3.760 2.891 4.268 1.00 0.00 H new ATOM 0 HA ASP B 14 2.835 4.635 2.285 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.463 2.416 2.421 1.00 0.00 H new ATOM 0 HB3 ASP B 14 3.059 1.756 1.606 1.00 0.00 H new ATOM 805 N ASN B 15 0.789 2.202 3.242 1.00 0.00 N ATOM 806 CA ASN B 15 -0.566 1.686 3.150 1.00 0.00 C ATOM 807 C ASN B 15 -1.558 2.813 3.446 1.00 0.00 C ATOM 808 O ASN B 15 -2.517 2.972 2.678 1.00 0.00 O ATOM 809 CB ASN B 15 -0.801 0.570 4.168 1.00 0.00 C ATOM 810 CG ASN B 15 -1.869 -0.408 3.674 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.049 -0.272 3.952 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.390 -1.400 2.927 1.00 0.00 N ATOM 0 H ASN B 15 1.349 1.779 3.982 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.709 1.292 2.144 1.00 0.00 H new ATOM 0 HB2 ASN B 15 0.131 0.035 4.348 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.110 1.001 5.120 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.023 -2.105 2.549 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.390 -1.455 2.732 1.00 0.00 H new ATOM 819 N TYR B 16 -1.311 3.560 4.537 1.00 0.00 N ATOM 820 CA TYR B 16 -2.218 4.644 4.877 1.00 0.00 C ATOM 821 C TYR B 16 -2.298 5.622 3.703 1.00 0.00 C ATOM 822 O TYR B 16 -3.401 6.120 3.434 1.00 0.00 O ATOM 823 CB TYR B 16 -1.753 5.337 6.170 1.00 0.00 C ATOM 824 CG TYR B 16 -1.559 4.401 7.355 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.501 3.377 7.607 1.00 0.00 C ATOM 826 CD2 TYR B 16 -0.437 4.543 8.203 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.324 2.505 8.703 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.260 3.670 9.298 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.203 2.650 9.549 1.00 0.00 C ATOM 830 OH TYR B 16 -1.037 1.804 10.608 1.00 0.00 O ATOM 0 H TYR B 16 -0.521 3.433 5.169 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.218 4.251 5.061 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.813 5.852 5.973 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.483 6.099 6.441 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.358 3.262 6.960 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.287 5.322 8.013 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.047 1.726 8.895 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.598 3.783 9.944 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.779 1.164 10.635 1.00 0.00 H new ATOM 840 N HIS B 17 -1.154 5.881 3.045 1.00 0.00 N ATOM 841 CA HIS B 17 -1.105 6.800 1.921 1.00 0.00 C ATOM 842 C HIS B 17 -1.780 6.155 0.710 1.00 0.00 C ATOM 843 O HIS B 17 -2.516 6.858 0.001 1.00 0.00 O ATOM 844 CB HIS B 17 0.334 7.238 1.635 1.00 0.00 C ATOM 845 CG HIS B 17 0.736 7.116 0.184 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.595 8.153 -0.723 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.276 6.071 -0.506 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.033 7.739 -1.903 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.454 6.448 -1.767 1.00 0.00 N ATOM 0 H HIS B 17 -0.256 5.460 3.282 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.655 7.709 2.164 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.457 8.274 1.950 1.00 0.00 H new ATOM 0 HB3 HIS B 17 1.013 6.638 2.241 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.518 5.101 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.053 8.321 -2.813 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.842 5.868 -2.511 1.00 0.00 H new ATOM 857 N LEU B 18 -1.521 4.852 0.498 1.00 0.00 N ATOM 858 CA LEU B 18 -2.100 4.122 -0.617 1.00 0.00 C ATOM 859 C LEU B 18 -3.619 4.060 -0.445 1.00 0.00 C ATOM 860 O LEU B 18 -4.332 4.164 -1.455 1.00 0.00 O ATOM 861 CB LEU B 18 -1.441 2.749 -0.759 1.00 0.00 C ATOM 862 CG LEU B 18 -0.017 2.744 -1.320 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.620 1.360 -1.185 1.00 0.00 C ATOM 864 CD2 LEU B 18 0.004 3.246 -2.765 1.00 0.00 C ATOM 0 H LEU B 18 -0.911 4.292 1.093 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.905 4.642 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.426 2.272 0.221 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.067 2.132 -1.404 1.00 0.00 H new ATOM 0 HG LEU B 18 0.586 3.435 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.631 1.384 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.658 1.078 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU B 18 0.025 0.631 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.027 3.233 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.618 2.599 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.383 4.264 -2.802 1.00 0.00 H new ATOM 876 N GLU B 19 -4.078 3.895 0.808 1.00 0.00 N ATOM 877 CA GLU B 19 -5.498 3.820 1.104 1.00 0.00 C ATOM 878 C GLU B 19 -6.150 5.171 0.803 1.00 0.00 C ATOM 879 O GLU B 19 -7.157 5.192 0.080 1.00 0.00 O ATOM 880 CB GLU B 19 -5.748 3.402 2.555 1.00 0.00 C ATOM 881 CG GLU B 19 -7.004 2.535 2.667 1.00 0.00 C ATOM 882 CD GLU B 19 -8.028 3.172 3.608 1.00 0.00 C ATOM 883 OE1 GLU B 19 -7.835 3.160 4.834 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.053 3.694 3.026 1.00 0.00 O ATOM 0 H GLU B 19 -3.475 3.812 1.626 1.00 0.00 H new ATOM 0 HA GLU B 19 -5.947 3.055 0.471 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.886 2.851 2.932 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -5.857 4.289 3.179 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.446 2.400 1.680 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -6.735 1.544 3.034 1.00 0.00 H new ATOM 891 N ASN B 20 -5.573 6.254 1.355 1.00 0.00 N ATOM 892 CA ASN B 20 -6.094 7.595 1.146 1.00 0.00 C ATOM 893 C ASN B 20 -6.025 7.938 -0.343 1.00 0.00 C ATOM 894 O ASN B 20 -6.890 8.690 -0.816 1.00 0.00 O ATOM 895 CB ASN B 20 -5.268 8.631 1.909 1.00 0.00 C ATOM 896 CG ASN B 20 -5.055 8.202 3.363 1.00 0.00 C ATOM 897 OD1 ASN B 20 -5.820 7.440 3.930 1.00 0.00 O ATOM 898 ND2 ASN B 20 -3.977 8.732 3.931 1.00 0.00 N ATOM 0 H ASN B 20 -4.744 6.214 1.949 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.122 7.617 1.506 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.303 8.763 1.420 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.774 9.596 1.881 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.748 8.507 4.899 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.378 9.363 3.399 1.00 0.00 H new ATOM 905 N GLU B 21 -5.015 7.389 -1.041 1.00 0.00 N ATOM 906 CA GLU B 21 -4.839 7.636 -2.463 1.00 0.00 C ATOM 907 C GLU B 21 -5.822 6.769 -3.252 1.00 0.00 C ATOM 908 O GLU B 21 -6.277 7.214 -4.316 1.00 0.00 O ATOM 909 CB GLU B 21 -3.398 7.372 -2.904 1.00 0.00 C ATOM 910 CG GLU B 21 -3.146 7.920 -4.310 1.00 0.00 C ATOM 911 CD GLU B 21 -1.876 7.317 -4.914 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.846 6.027 -4.946 1.00 0.00 O ATOM 913 OE2 GLU B 21 -0.972 8.059 -5.326 1.00 0.00 O ATOM 0 H GLU B 21 -4.313 6.772 -0.633 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.045 8.687 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.708 7.836 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.199 6.300 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.999 7.696 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.054 9.005 -4.270 1.00 0.00 H new ATOM 920 N VAL B 22 -6.124 5.568 -2.726 1.00 0.00 N ATOM 921 CA VAL B 22 -7.044 4.651 -3.378 1.00 0.00 C ATOM 922 C VAL B 22 -8.481 5.101 -3.110 1.00 0.00 C ATOM 923 O VAL B 22 -9.316 4.978 -4.018 1.00 0.00 O ATOM 924 CB VAL B 22 -6.769 3.219 -2.914 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.038 2.367 -2.986 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.638 2.586 -3.729 1.00 0.00 C ATOM 0 H VAL B 22 -5.737 5.220 -1.849 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.896 4.663 -4.458 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.450 3.260 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.816 1.354 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.805 2.801 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.399 2.338 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.463 1.569 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.917 2.564 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.728 3.174 -3.606 1.00 0.00 H new ATOM 936 N ALA B 23 -8.737 5.606 -1.890 1.00 0.00 N ATOM 937 CA ALA B 23 -10.060 6.068 -1.510 1.00 0.00 C ATOM 938 C ALA B 23 -10.405 7.327 -2.310 1.00 0.00 C ATOM 939 O ALA B 23 -11.588 7.699 -2.344 1.00 0.00 O ATOM 940 CB ALA B 23 -10.058 6.485 -0.037 1.00 0.00 C ATOM 0 H ALA B 23 -8.034 5.700 -1.157 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.772 5.263 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.053 6.831 0.245 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.782 5.632 0.582 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.338 7.290 0.112 1.00 0.00 H new ATOM 946 N ARG B 24 -9.383 7.947 -2.927 1.00 0.00 N ATOM 947 CA ARG B 24 -9.577 9.150 -3.719 1.00 0.00 C ATOM 948 C ARG B 24 -9.639 8.776 -5.200 1.00 0.00 C ATOM 949 O ARG B 24 -10.374 9.440 -5.946 1.00 0.00 O ATOM 950 CB ARG B 24 -8.446 10.157 -3.499 1.00 0.00 C ATOM 951 CG ARG B 24 -8.821 11.177 -2.422 1.00 0.00 C ATOM 952 CD ARG B 24 -9.479 10.491 -1.222 1.00 0.00 C ATOM 953 NE ARG B 24 -9.877 11.501 -0.218 1.00 0.00 N ATOM 954 CZ ARG B 24 -11.126 12.002 -0.101 1.00 0.00 C ATOM 955 NH1 ARG B 24 -12.079 11.571 -0.938 1.00 0.00 N ATOM 956 NH2 ARG B 24 -11.406 12.917 0.837 1.00 0.00 N ATOM 0 H ARG B 24 -8.416 7.625 -2.885 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.511 9.615 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.538 9.631 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.227 10.674 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.929 11.711 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.502 11.919 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -10.353 9.927 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -8.787 9.776 -0.777 1.00 0.00 H new ATOM 0 HE ARG B 24 -9.163 11.841 0.427 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -11.856 10.875 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -13.028 11.939 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -10.674 13.240 1.469 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -12.352 13.290 0.919 1.00 0.00 H new ATOM 970 N LEU B 25 -8.877 7.739 -5.592 1.00 0.00 N ATOM 971 CA LEU B 25 -8.846 7.284 -6.972 1.00 0.00 C ATOM 972 C LEU B 25 -10.095 6.448 -7.258 1.00 0.00 C ATOM 973 O LEU B 25 -10.657 6.582 -8.355 1.00 0.00 O ATOM 974 CB LEU B 25 -7.536 6.551 -7.265 1.00 0.00 C ATOM 975 CG LEU B 25 -6.301 7.435 -7.455 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.028 6.589 -7.532 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.460 8.345 -8.674 1.00 0.00 C ATOM 0 H LEU B 25 -8.277 7.207 -4.962 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.868 8.134 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.340 5.858 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.671 5.952 -8.165 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.206 8.081 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.165 7.241 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.912 6.021 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.098 5.901 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.569 8.962 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.594 7.736 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.331 8.986 -8.538 1.00 0.00 H new ATOM 989 N LYS B 26 -10.498 5.615 -6.281 1.00 0.00 N ATOM 990 CA LYS B 26 -11.669 4.767 -6.428 1.00 0.00 C ATOM 991 C LYS B 26 -12.919 5.643 -6.525 1.00 0.00 C ATOM 992 O LYS B 26 -13.934 5.166 -7.054 1.00 0.00 O ATOM 993 CB LYS B 26 -11.727 3.735 -5.300 1.00 0.00 C ATOM 994 CG LYS B 26 -12.547 2.513 -5.717 1.00 0.00 C ATOM 995 CD LYS B 26 -11.829 1.719 -6.812 1.00 0.00 C ATOM 996 CE LYS B 26 -10.314 1.744 -6.603 1.00 0.00 C ATOM 997 NZ LYS B 26 -9.647 0.852 -7.566 1.00 0.00 N ATOM 0 H LYS B 26 -10.021 5.520 -5.384 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.610 4.192 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.717 3.426 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.167 4.187 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.718 1.873 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -13.525 2.832 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.183 0.688 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.072 2.138 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.941 2.761 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.076 1.434 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -8.622 1.029 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.831 -0.138 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -10.016 1.034 -8.521 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.824 6.887 -6.022 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.939 7.817 -6.051 1.00 0.00 C ATOM 1013 C LYS B 27 -13.939 8.565 -7.387 1.00 0.00 C ATOM 1014 O LYS B 27 -14.916 9.274 -7.666 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.901 8.739 -4.831 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.294 8.895 -4.217 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.333 8.332 -2.795 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.748 9.332 -1.795 1.00 0.00 C ATOM 1019 NZ LYS B 27 -15.060 8.922 -0.415 1.00 0.00 N ATOM 0 H LYS B 27 -11.978 7.261 -5.592 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.885 7.279 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.215 8.335 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.516 9.717 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.573 9.949 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -16.028 8.379 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -16.361 8.097 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.771 7.399 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.668 9.397 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -15.153 10.326 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.656 9.611 0.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -16.092 8.882 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.653 7.983 -0.231 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.859 8.395 -8.172 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.736 9.048 -9.463 1.00 0.00 C ATOM 1035 C LEU B 28 -12.952 8.018 -10.574 1.00 0.00 C ATOM 1036 O LEU B 28 -13.552 8.373 -11.600 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.402 9.790 -9.563 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.473 11.235 -10.061 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.761 12.198 -8.908 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.202 11.616 -10.823 1.00 0.00 C ATOM 0 H LEU B 28 -12.064 7.807 -7.923 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.507 9.809 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.934 9.789 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.746 9.229 -10.229 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.304 11.314 -10.762 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.806 13.218 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.715 11.940 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.967 12.123 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.279 12.648 -11.166 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.339 11.516 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.081 10.956 -11.682 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.469 6.783 -10.352 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.607 5.715 -11.327 1.00 0.00 C ATOM 1054 C VAL B 29 -13.683 4.735 -10.854 1.00 0.00 C ATOM 1055 O VAL B 29 -14.748 4.676 -11.487 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.253 5.046 -11.568 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.289 4.167 -12.820 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.136 6.086 -11.660 1.00 0.00 C ATOM 0 H VAL B 29 -11.980 6.511 -9.499 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.931 6.115 -12.288 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.042 4.402 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.313 3.704 -12.967 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.045 3.391 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.535 4.779 -13.688 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.184 5.583 -11.832 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.341 6.768 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.086 6.650 -10.728 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.389 3.998 -9.767 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.325 3.032 -9.218 1.00 0.00 C ATOM 1070 C GLY B 30 -15.646 3.733 -8.894 1.00 0.00 C ATOM 1071 O GLY B 30 -16.624 3.037 -8.585 1.00 0.00 O ATOM 0 H GLY B 30 -12.506 4.062 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.494 2.226 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.911 2.579 -8.318 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.648 5.077 -8.968 1.00 0.00 N ATOM 1076 CA GLU B 31 -16.837 5.861 -8.686 1.00 0.00 C ATOM 1077 C GLU B 31 -17.873 5.624 -9.787 1.00 0.00 C ATOM 1078 O GLU B 31 -17.595 5.974 -10.944 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.509 7.350 -8.552 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.563 8.208 -9.256 1.00 0.00 C ATOM 1081 CD GLU B 31 -17.461 9.670 -8.816 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -17.491 9.859 -7.540 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -17.361 10.568 -9.665 1.00 0.00 O ATOM 0 H GLU B 31 -14.831 5.632 -9.222 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.249 5.539 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -16.458 7.622 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -15.527 7.550 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -17.431 8.139 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -18.558 7.825 -9.031 1.00 0.00 H new ATOM 1090 N ARG B 32 -19.028 5.045 -9.413 1.00 0.00 N ATOM 1091 CA ARG B 32 -20.092 4.767 -10.363 1.00 0.00 C ATOM 1092 C ARG B 32 -20.288 5.980 -11.274 1.00 0.00 C ATOM 1093 O ARG B 32 -19.753 6.019 -12.381 1.00 0.00 O ATOM 1094 CB ARG B 32 -21.411 4.451 -9.654 1.00 0.00 C ATOM 1095 CG ARG B 32 -21.160 3.803 -8.292 1.00 0.00 C ATOM 1096 CD ARG B 32 -21.280 4.831 -7.165 1.00 0.00 C ATOM 1097 NE ARG B 32 -20.779 6.146 -7.626 1.00 0.00 N ATOM 1098 CZ ARG B 32 -20.631 7.223 -6.824 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -20.951 7.116 -5.527 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -20.172 8.380 -7.318 1.00 0.00 N ATOM 0 H ARG B 32 -19.238 4.764 -8.455 1.00 0.00 H new ATOM 0 HA ARG B 32 -19.803 3.894 -10.948 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -21.987 5.367 -9.524 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -22.010 3.783 -10.273 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -21.876 2.997 -8.131 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -20.166 3.355 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -22.320 4.918 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -20.711 4.499 -6.297 1.00 0.00 H new ATOM 0 HE ARG B 32 -20.530 6.245 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -21.300 6.231 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -20.845 7.920 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -19.931 8.453 -8.307 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -20.063 9.189 -6.706 1.00 0.00 H new TER 1114 ARG B 32