USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ 148:sc= 1.31 (180deg=-1.46!) USER MOD Set 1.2: A 13 GLN : amide:sc= 0.376 K(o=1.7,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0121 (180deg=-0.082) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 10 GLN : amide:sc= -3.5! K(o=-3.5!,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.35 (180deg=-1.02) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0.946 (180deg=0.814) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.61 K(o=-1.6,f=-9.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.0293 (180deg=-0.215) USER MOD Single : A 40 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=0) USER MOD Single : A 41 SER OG : rot 112:sc= 1.14 USER MOD Single : A 42 THR OG1 : rot 13:sc= 0.648 USER MOD Single : A 43 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.3!) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -1.75 (180deg=-2.81!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.581 (180deg=-0.754) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.902 -16.385 20.653 1.00 0.00 N ATOM 2 CA MET A 1 -6.862 -15.389 21.003 1.00 0.00 C ATOM 3 C MET A 1 -6.755 -14.321 19.916 1.00 0.00 C ATOM 4 O MET A 1 -6.891 -14.617 18.729 1.00 0.00 O ATOM 5 CB MET A 1 -5.502 -16.071 21.206 1.00 0.00 C ATOM 6 CG MET A 1 -5.002 -16.830 19.987 1.00 0.00 C ATOM 7 SD MET A 1 -3.385 -17.584 20.249 1.00 0.00 S ATOM 8 CE MET A 1 -3.174 -18.473 18.708 1.00 0.00 C ATOM 0 H1 MET A 1 -7.551 -17.341 20.863 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.760 -16.201 21.211 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.125 -16.312 19.640 1.00 0.00 H new ATOM 0 HA MET A 1 -7.154 -14.911 21.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.765 -15.315 21.478 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.575 -16.762 22.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.722 -17.606 19.727 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.947 -16.149 19.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.216 -18.993 18.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.980 -19.198 18.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.197 -17.769 17.876 1.00 0.00 H new ATOM 20 N PRO A 2 -6.512 -13.061 20.309 1.00 0.00 N ATOM 21 CA PRO A 2 -6.383 -11.950 19.362 1.00 0.00 C ATOM 22 C PRO A 2 -5.039 -11.949 18.636 1.00 0.00 C ATOM 23 O PRO A 2 -4.903 -11.328 17.580 1.00 0.00 O ATOM 24 CB PRO A 2 -6.516 -10.713 20.251 1.00 0.00 C ATOM 25 CG PRO A 2 -6.024 -11.150 21.588 1.00 0.00 C ATOM 26 CD PRO A 2 -6.361 -12.615 21.708 1.00 0.00 C ATOM 0 HA PRO A 2 -7.127 -12.004 18.568 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.925 -9.883 19.864 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.550 -10.372 20.302 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.950 -10.990 21.678 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.499 -10.576 22.383 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.572 -13.166 22.220 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.278 -12.769 22.277 1.00 0.00 H new ATOM 34 N LEU A 3 -4.065 -12.659 19.216 1.00 0.00 N ATOM 35 CA LEU A 3 -2.708 -12.762 18.672 1.00 0.00 C ATOM 36 C LEU A 3 -1.948 -11.440 18.818 1.00 0.00 C ATOM 37 O LEU A 3 -2.477 -10.361 18.546 1.00 0.00 O ATOM 38 CB LEU A 3 -2.733 -13.214 17.206 1.00 0.00 C ATOM 39 CG LEU A 3 -1.362 -13.457 16.569 1.00 0.00 C ATOM 40 CD1 LEU A 3 -0.629 -14.584 17.282 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.513 -13.774 15.089 1.00 0.00 C ATOM 0 H LEU A 3 -4.198 -13.181 20.082 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.179 -13.519 19.251 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.315 -14.133 17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.258 -12.460 16.620 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.771 -12.547 16.671 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.343 -14.740 16.813 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.488 -14.320 18.330 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.216 -15.500 17.214 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.529 -13.944 14.651 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.123 -14.669 14.969 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.995 -12.936 14.585 1.00 0.00 H new ATOM 53 N THR A 4 -0.710 -11.528 19.275 1.00 0.00 N ATOM 54 CA THR A 4 0.111 -10.350 19.485 1.00 0.00 C ATOM 55 C THR A 4 1.590 -10.682 19.321 1.00 0.00 C ATOM 56 O THR A 4 2.199 -11.300 20.195 1.00 0.00 O ATOM 57 CB THR A 4 -0.132 -9.745 20.884 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.509 -9.359 21.015 1.00 0.00 O ATOM 59 CG2 THR A 4 0.758 -8.538 21.128 1.00 0.00 C ATOM 0 H THR A 4 -0.251 -12.408 19.508 1.00 0.00 H new ATOM 0 HA THR A 4 -0.173 -9.616 18.731 1.00 0.00 H new ATOM 0 HB THR A 4 0.112 -10.505 21.626 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.658 -8.977 21.905 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.562 -8.136 22.122 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.804 -8.837 21.058 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.548 -7.774 20.380 1.00 0.00 H new ATOM 67 N ASP A 5 2.153 -10.303 18.183 1.00 0.00 N ATOM 68 CA ASP A 5 3.580 -10.478 17.945 1.00 0.00 C ATOM 69 C ASP A 5 4.211 -9.184 17.464 1.00 0.00 C ATOM 70 O ASP A 5 3.563 -8.348 16.830 1.00 0.00 O ATOM 71 CB ASP A 5 3.866 -11.590 16.932 1.00 0.00 C ATOM 72 CG ASP A 5 3.188 -11.365 15.597 1.00 0.00 C ATOM 73 OD1 ASP A 5 1.970 -11.603 15.493 1.00 0.00 O ATOM 74 OD2 ASP A 5 3.873 -10.951 14.636 1.00 0.00 O ATOM 0 H ASP A 5 1.645 -9.873 17.410 1.00 0.00 H new ATOM 0 HA ASP A 5 4.021 -10.766 18.899 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.942 -11.665 16.778 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.536 -12.543 17.345 1.00 0.00 H new ATOM 79 N PRO A 6 5.493 -9.012 17.782 1.00 0.00 N ATOM 80 CA PRO A 6 6.267 -7.827 17.411 1.00 0.00 C ATOM 81 C PRO A 6 6.851 -7.904 16.002 1.00 0.00 C ATOM 82 O PRO A 6 7.588 -7.010 15.581 1.00 0.00 O ATOM 83 CB PRO A 6 7.395 -7.853 18.437 1.00 0.00 C ATOM 84 CG PRO A 6 7.643 -9.307 18.662 1.00 0.00 C ATOM 85 CD PRO A 6 6.290 -9.966 18.578 1.00 0.00 C ATOM 0 HA PRO A 6 5.657 -6.924 17.407 1.00 0.00 H new ATOM 0 HB2 PRO A 6 8.286 -7.349 18.063 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.107 -7.349 19.360 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.323 -9.710 17.911 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.104 -9.480 19.634 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.348 -10.942 18.096 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.858 -10.124 19.566 1.00 0.00 H new ATOM 93 N ALA A 7 6.524 -8.963 15.272 1.00 0.00 N ATOM 94 CA ALA A 7 7.152 -9.208 13.977 1.00 0.00 C ATOM 95 C ALA A 7 6.296 -8.727 12.822 1.00 0.00 C ATOM 96 O ALA A 7 6.603 -8.975 11.657 1.00 0.00 O ATOM 97 CB ALA A 7 7.498 -10.680 13.818 1.00 0.00 C ATOM 0 H ALA A 7 5.834 -9.661 15.550 1.00 0.00 H new ATOM 0 HA ALA A 7 8.074 -8.627 13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.965 -10.841 12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.189 -10.979 14.607 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.589 -11.277 13.887 1.00 0.00 H new ATOM 103 N LYS A 8 5.226 -8.052 13.158 1.00 0.00 N ATOM 104 CA LYS A 8 4.406 -7.371 12.186 1.00 0.00 C ATOM 105 C LYS A 8 5.156 -6.212 11.539 1.00 0.00 C ATOM 106 O LYS A 8 5.839 -5.445 12.219 1.00 0.00 O ATOM 107 CB LYS A 8 3.173 -6.854 12.886 1.00 0.00 C ATOM 108 CG LYS A 8 2.225 -7.944 13.311 1.00 0.00 C ATOM 109 CD LYS A 8 1.807 -8.779 12.128 1.00 0.00 C ATOM 110 CE LYS A 8 0.956 -9.942 12.567 1.00 0.00 C ATOM 111 NZ LYS A 8 1.775 -11.140 12.872 1.00 0.00 N ATOM 0 H LYS A 8 4.897 -7.958 14.119 1.00 0.00 H new ATOM 0 HA LYS A 8 4.136 -8.071 11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.475 -6.283 13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.649 -6.166 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.703 -8.577 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.345 -7.505 13.781 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.252 -8.163 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.691 -9.146 11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.382 -9.660 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.238 -10.183 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.320 -11.688 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.858 -11.730 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.723 -10.843 13.181 1.00 0.00 H new ATOM 125 N LEU A 9 5.003 -6.083 10.231 1.00 0.00 N ATOM 126 CA LEU A 9 5.661 -5.029 9.465 1.00 0.00 C ATOM 127 C LEU A 9 4.703 -4.442 8.436 1.00 0.00 C ATOM 128 O LEU A 9 4.268 -3.295 8.555 1.00 0.00 O ATOM 129 CB LEU A 9 6.920 -5.550 8.755 1.00 0.00 C ATOM 130 CG LEU A 9 8.236 -5.424 9.530 1.00 0.00 C ATOM 131 CD1 LEU A 9 8.349 -6.499 10.591 1.00 0.00 C ATOM 132 CD2 LEU A 9 9.421 -5.488 8.578 1.00 0.00 C ATOM 0 H LEU A 9 4.421 -6.703 9.668 1.00 0.00 H new ATOM 0 HA LEU A 9 5.960 -4.252 10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.765 -6.601 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.026 -5.016 7.811 1.00 0.00 H new ATOM 0 HG LEU A 9 8.242 -4.456 10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.292 -6.385 11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.521 -6.405 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.315 -7.481 10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.348 -5.397 9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.411 -6.441 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.354 -4.672 7.858 1.00 0.00 H new ATOM 144 N GLN A 10 4.373 -5.231 7.421 1.00 0.00 N ATOM 145 CA GLN A 10 3.454 -4.783 6.387 1.00 0.00 C ATOM 146 C GLN A 10 2.145 -5.562 6.433 1.00 0.00 C ATOM 147 O GLN A 10 1.922 -6.385 7.320 1.00 0.00 O ATOM 148 CB GLN A 10 4.079 -4.895 4.990 1.00 0.00 C ATOM 149 CG GLN A 10 5.006 -3.740 4.632 1.00 0.00 C ATOM 150 CD GLN A 10 6.341 -3.784 5.351 1.00 0.00 C ATOM 151 OE1 GLN A 10 6.919 -2.746 5.665 1.00 0.00 O ATOM 152 NE2 GLN A 10 6.853 -4.979 5.596 1.00 0.00 N ATOM 0 H GLN A 10 4.727 -6.179 7.294 1.00 0.00 H new ATOM 0 HA GLN A 10 3.242 -3.733 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.638 -5.829 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.281 -4.950 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.182 -3.747 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.508 -2.800 4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.343 -5.818 5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.757 -5.061 6.061 1.00 0.00 H new ATOM 161 N ILE A 11 1.297 -5.305 5.447 1.00 0.00 N ATOM 162 CA ILE A 11 -0.055 -5.851 5.408 1.00 0.00 C ATOM 163 C ILE A 11 -0.110 -7.237 4.765 1.00 0.00 C ATOM 164 O ILE A 11 -1.187 -7.762 4.513 1.00 0.00 O ATOM 165 CB ILE A 11 -1.011 -4.877 4.663 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.455 -4.445 3.295 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.277 -3.652 5.522 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.558 -5.499 2.209 1.00 0.00 C ATOM 0 H ILE A 11 1.526 -4.711 4.650 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.382 -5.963 6.442 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.943 -5.413 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.987 -3.552 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.592 -4.167 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.947 -2.975 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.738 -3.959 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.336 -3.142 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.142 -5.107 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.001 -6.387 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.605 -5.762 2.055 1.00 0.00 H new ATOM 180 N VAL A 12 1.051 -7.832 4.529 1.00 0.00 N ATOM 181 CA VAL A 12 1.138 -9.096 3.797 1.00 0.00 C ATOM 182 C VAL A 12 0.325 -10.220 4.451 1.00 0.00 C ATOM 183 O VAL A 12 -0.268 -11.047 3.755 1.00 0.00 O ATOM 184 CB VAL A 12 2.605 -9.552 3.631 1.00 0.00 C ATOM 185 CG1 VAL A 12 3.358 -8.596 2.719 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.300 -9.658 4.982 1.00 0.00 C ATOM 0 H VAL A 12 1.951 -7.461 4.834 1.00 0.00 H new ATOM 0 HA VAL A 12 0.707 -8.899 2.815 1.00 0.00 H new ATOM 0 HB VAL A 12 2.603 -10.541 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.390 -8.931 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.880 -8.575 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.345 -7.595 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.331 -9.981 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.290 -8.685 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.777 -10.384 5.604 1.00 0.00 H new ATOM 196 N GLN A 13 0.281 -10.240 5.778 1.00 0.00 N ATOM 197 CA GLN A 13 -0.410 -11.308 6.491 1.00 0.00 C ATOM 198 C GLN A 13 -1.913 -11.057 6.553 1.00 0.00 C ATOM 199 O GLN A 13 -2.693 -11.733 5.879 1.00 0.00 O ATOM 200 CB GLN A 13 0.147 -11.471 7.903 1.00 0.00 C ATOM 201 CG GLN A 13 1.617 -11.855 7.937 1.00 0.00 C ATOM 202 CD GLN A 13 2.074 -12.254 9.323 1.00 0.00 C ATOM 203 OE1 GLN A 13 2.521 -11.420 10.110 1.00 0.00 O ATOM 204 NE2 GLN A 13 1.963 -13.535 9.632 1.00 0.00 N ATOM 0 H GLN A 13 0.711 -9.536 6.378 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.239 -12.230 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.012 -10.537 8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.431 -12.232 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.790 -12.681 7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.218 -11.016 7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.587 -14.193 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.253 -13.865 10.553 1.00 0.00 H new ATOM 213 N GLN A 14 -2.321 -10.092 7.364 1.00 0.00 N ATOM 214 CA GLN A 14 -3.733 -9.782 7.517 1.00 0.00 C ATOM 215 C GLN A 14 -3.982 -8.304 7.247 1.00 0.00 C ATOM 216 O GLN A 14 -3.285 -7.435 7.781 1.00 0.00 O ATOM 217 CB GLN A 14 -4.232 -10.167 8.918 1.00 0.00 C ATOM 218 CG GLN A 14 -3.510 -9.458 10.055 1.00 0.00 C ATOM 219 CD GLN A 14 -4.098 -9.782 11.418 1.00 0.00 C ATOM 220 OE1 GLN A 14 -5.289 -10.068 11.545 1.00 0.00 O ATOM 221 NE2 GLN A 14 -3.267 -9.731 12.447 1.00 0.00 N ATOM 0 H GLN A 14 -1.696 -9.512 7.924 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.292 -10.369 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.297 -9.946 8.985 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.121 -11.244 9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.457 -9.740 10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.554 -8.381 9.892 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.287 -9.490 12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.607 -9.933 13.387 1.00 0.00 H new ATOM 230 N ARG A 15 -4.964 -8.023 6.405 1.00 0.00 N ATOM 231 CA ARG A 15 -5.278 -6.652 6.034 1.00 0.00 C ATOM 232 C ARG A 15 -6.684 -6.533 5.473 1.00 0.00 C ATOM 233 O ARG A 15 -7.307 -7.529 5.104 1.00 0.00 O ATOM 234 CB ARG A 15 -4.257 -6.123 5.018 1.00 0.00 C ATOM 235 CG ARG A 15 -3.950 -7.079 3.871 1.00 0.00 C ATOM 236 CD ARG A 15 -5.037 -7.105 2.812 1.00 0.00 C ATOM 237 NE ARG A 15 -4.726 -8.065 1.757 1.00 0.00 N ATOM 238 CZ ARG A 15 -4.325 -7.725 0.536 1.00 0.00 C ATOM 239 NH1 ARG A 15 -4.204 -6.444 0.202 1.00 0.00 N ATOM 240 NH2 ARG A 15 -4.042 -8.669 -0.350 1.00 0.00 N ATOM 0 H ARG A 15 -5.558 -8.726 5.965 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.226 -6.047 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.629 -5.186 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.329 -5.894 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.006 -6.791 3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.815 -8.084 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.990 -7.364 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.151 -6.111 2.380 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.822 -9.058 1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.419 -5.717 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.896 -6.188 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.132 -9.652 -0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.734 -8.412 -1.288 1.00 0.00 H new ATOM 254 N VAL A 16 -7.175 -5.307 5.429 1.00 0.00 N ATOM 255 CA VAL A 16 -8.445 -5.002 4.789 1.00 0.00 C ATOM 256 C VAL A 16 -8.263 -3.852 3.806 1.00 0.00 C ATOM 257 O VAL A 16 -9.218 -3.388 3.188 1.00 0.00 O ATOM 258 CB VAL A 16 -9.547 -4.645 5.813 1.00 0.00 C ATOM 259 CG1 VAL A 16 -9.943 -5.866 6.629 1.00 0.00 C ATOM 260 CG2 VAL A 16 -9.093 -3.519 6.730 1.00 0.00 C ATOM 0 H VAL A 16 -6.707 -4.496 5.834 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.768 -5.899 4.261 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.421 -4.303 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.719 -5.590 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.321 -6.642 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.073 -6.242 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.886 -3.287 7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.199 -3.829 7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.868 -2.634 6.135 1.00 0.00 H new ATOM 270 N PHE A 17 -7.021 -3.405 3.666 1.00 0.00 N ATOM 271 CA PHE A 17 -6.686 -2.327 2.748 1.00 0.00 C ATOM 272 C PHE A 17 -5.530 -2.730 1.837 1.00 0.00 C ATOM 273 O PHE A 17 -5.141 -3.902 1.781 1.00 0.00 O ATOM 274 CB PHE A 17 -6.318 -1.051 3.514 1.00 0.00 C ATOM 275 CG PHE A 17 -7.464 -0.428 4.259 1.00 0.00 C ATOM 276 CD1 PHE A 17 -8.495 0.194 3.573 1.00 0.00 C ATOM 277 CD2 PHE A 17 -7.509 -0.461 5.644 1.00 0.00 C ATOM 278 CE1 PHE A 17 -9.548 0.772 4.257 1.00 0.00 C ATOM 279 CE2 PHE A 17 -8.559 0.116 6.332 1.00 0.00 C ATOM 280 CZ PHE A 17 -9.581 0.732 5.637 1.00 0.00 C ATOM 0 H PHE A 17 -6.224 -3.777 4.182 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.566 -2.129 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.522 -1.282 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.917 -0.321 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.476 0.227 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.713 -0.944 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.345 1.255 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.580 0.085 7.411 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.405 1.182 6.172 1.00 0.00 H new ATOM 290 N LEU A 18 -4.997 -1.748 1.126 1.00 0.00 N ATOM 291 CA LEU A 18 -3.887 -1.955 0.210 1.00 0.00 C ATOM 292 C LEU A 18 -2.735 -1.035 0.582 1.00 0.00 C ATOM 293 O LEU A 18 -2.799 -0.326 1.582 1.00 0.00 O ATOM 294 CB LEU A 18 -4.316 -1.683 -1.232 1.00 0.00 C ATOM 295 CG LEU A 18 -5.474 -2.541 -1.745 1.00 0.00 C ATOM 296 CD1 LEU A 18 -5.871 -2.122 -3.151 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.100 -4.012 -1.717 1.00 0.00 C ATOM 0 H LEU A 18 -5.323 -0.783 1.169 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.566 -2.994 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.598 -0.634 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.456 -1.836 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.329 -2.388 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.696 -2.745 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.182 -1.077 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.020 -2.243 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.936 -4.607 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.229 -4.178 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.866 -4.309 -0.695 1.00 0.00 H new ATOM 309 N LYS A 19 -1.669 -1.086 -0.200 1.00 0.00 N ATOM 310 CA LYS A 19 -0.528 -0.196 -0.010 1.00 0.00 C ATOM 311 C LYS A 19 -0.810 1.184 -0.617 1.00 0.00 C ATOM 312 O LYS A 19 -1.890 1.422 -1.164 1.00 0.00 O ATOM 313 CB LYS A 19 0.713 -0.809 -0.652 1.00 0.00 C ATOM 314 CG LYS A 19 1.123 -2.142 -0.046 1.00 0.00 C ATOM 315 CD LYS A 19 1.795 -1.964 1.305 1.00 0.00 C ATOM 316 CE LYS A 19 2.566 -3.216 1.703 1.00 0.00 C ATOM 317 NZ LYS A 19 3.519 -3.654 0.644 1.00 0.00 N ATOM 0 H LYS A 19 -1.567 -1.738 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.356 -0.070 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.529 -0.946 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.542 -0.108 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.244 -2.776 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.803 -2.657 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.474 -1.112 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.043 -1.740 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.114 -3.024 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.863 -4.022 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.253 -4.259 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.006 -4.189 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.965 -2.820 0.211 1.00 0.00 H new ATOM 331 N LYS A 20 0.158 2.092 -0.523 1.00 0.00 N ATOM 332 CA LYS A 20 -0.012 3.435 -1.070 1.00 0.00 C ATOM 333 C LYS A 20 0.701 3.552 -2.399 1.00 0.00 C ATOM 334 O LYS A 20 1.752 2.952 -2.600 1.00 0.00 O ATOM 335 CB LYS A 20 0.536 4.508 -0.127 1.00 0.00 C ATOM 336 CG LYS A 20 0.042 4.378 1.300 1.00 0.00 C ATOM 337 CD LYS A 20 0.675 5.410 2.214 1.00 0.00 C ATOM 338 CE LYS A 20 2.178 5.222 2.315 1.00 0.00 C ATOM 339 NZ LYS A 20 2.794 6.243 3.202 1.00 0.00 N ATOM 0 H LYS A 20 1.060 1.925 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.083 3.595 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.625 4.460 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.259 5.490 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.042 4.491 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.265 3.378 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.457 6.410 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.231 5.338 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.397 4.225 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.622 5.286 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.829 6.140 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.534 7.194 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.451 6.110 4.175 1.00 0.00 H new ATOM 353 N VAL A 21 0.140 4.333 -3.297 1.00 0.00 N ATOM 354 CA VAL A 21 0.759 4.566 -4.584 1.00 0.00 C ATOM 355 C VAL A 21 0.936 6.066 -4.827 1.00 0.00 C ATOM 356 O VAL A 21 0.012 6.854 -4.642 1.00 0.00 O ATOM 357 CB VAL A 21 -0.060 3.906 -5.720 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.523 4.306 -5.643 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.522 4.246 -7.080 1.00 0.00 C ATOM 0 H VAL A 21 -0.746 4.819 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 21 1.746 4.104 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 21 0.000 2.826 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.074 3.828 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.937 3.989 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.610 5.389 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.072 3.770 -7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.508 5.327 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.549 3.886 -7.136 1.00 0.00 H new ATOM 369 N CYS A 22 2.156 6.447 -5.173 1.00 0.00 N ATOM 370 CA CYS A 22 2.494 7.827 -5.496 1.00 0.00 C ATOM 371 C CYS A 22 1.646 8.340 -6.647 1.00 0.00 C ATOM 372 O CYS A 22 1.533 7.680 -7.675 1.00 0.00 O ATOM 373 CB CYS A 22 3.971 7.875 -5.877 1.00 0.00 C ATOM 374 SG CYS A 22 4.600 9.479 -6.471 1.00 0.00 S ATOM 0 H CYS A 22 2.945 5.804 -5.238 1.00 0.00 H new ATOM 0 HA CYS A 22 2.299 8.462 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.558 7.578 -5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.149 7.130 -6.652 1.00 0.00 H new ATOM 379 N ARG A 23 1.058 9.515 -6.483 1.00 0.00 N ATOM 380 CA ARG A 23 0.256 10.094 -7.556 1.00 0.00 C ATOM 381 C ARG A 23 1.147 10.784 -8.591 1.00 0.00 C ATOM 382 O ARG A 23 0.666 11.263 -9.614 1.00 0.00 O ATOM 383 CB ARG A 23 -0.790 11.073 -7.015 1.00 0.00 C ATOM 384 CG ARG A 23 -0.222 12.355 -6.438 1.00 0.00 C ATOM 385 CD ARG A 23 -1.332 13.322 -6.047 1.00 0.00 C ATOM 386 NE ARG A 23 -2.202 13.668 -7.173 1.00 0.00 N ATOM 387 CZ ARG A 23 -3.293 14.429 -7.066 1.00 0.00 C ATOM 388 NH1 ARG A 23 -3.631 14.961 -5.895 1.00 0.00 N ATOM 389 NH2 ARG A 23 -4.038 14.672 -8.138 1.00 0.00 N ATOM 0 H ARG A 23 1.117 10.079 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.274 9.275 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.480 11.328 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.373 10.570 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.388 12.125 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.434 12.827 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.932 12.878 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.890 14.232 -5.642 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.959 13.305 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.055 14.788 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.466 15.542 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.776 14.277 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.872 15.253 -8.058 1.00 0.00 H new ATOM 403 N LYS A 24 2.450 10.815 -8.319 1.00 0.00 N ATOM 404 CA LYS A 24 3.412 11.434 -9.217 1.00 0.00 C ATOM 405 C LYS A 24 3.979 10.385 -10.166 1.00 0.00 C ATOM 406 O LYS A 24 3.834 10.489 -11.381 1.00 0.00 O ATOM 407 CB LYS A 24 4.549 12.075 -8.411 1.00 0.00 C ATOM 408 CG LYS A 24 4.083 13.073 -7.359 1.00 0.00 C ATOM 409 CD LYS A 24 4.094 14.500 -7.881 1.00 0.00 C ATOM 410 CE LYS A 24 3.051 14.733 -8.962 1.00 0.00 C ATOM 411 NZ LYS A 24 3.199 16.074 -9.582 1.00 0.00 N ATOM 0 H LYS A 24 2.862 10.414 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 24 2.909 12.209 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.120 11.287 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.227 12.580 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.075 12.814 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.727 13.003 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.915 15.187 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.082 14.730 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.143 13.964 -9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.054 14.638 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.472 16.200 -10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.087 16.808 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.142 16.155 -10.013 1.00 0.00 H new ATOM 425 N CYS A 25 4.597 9.353 -9.600 1.00 0.00 N ATOM 426 CA CYS A 25 5.203 8.301 -10.401 1.00 0.00 C ATOM 427 C CYS A 25 4.204 7.190 -10.652 1.00 0.00 C ATOM 428 O CYS A 25 4.119 6.636 -11.747 1.00 0.00 O ATOM 429 CB CYS A 25 6.410 7.674 -9.690 1.00 0.00 C ATOM 430 SG CYS A 25 7.524 8.836 -8.846 1.00 0.00 S ATOM 0 H CYS A 25 4.690 9.225 -8.592 1.00 0.00 H new ATOM 0 HA CYS A 25 5.522 8.762 -11.336 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.043 6.955 -8.957 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.989 7.113 -10.424 1.00 0.00 H new ATOM 435 N GLY A 26 3.430 6.896 -9.623 1.00 0.00 N ATOM 436 CA GLY A 26 2.687 5.664 -9.588 1.00 0.00 C ATOM 437 C GLY A 26 3.453 4.612 -8.813 1.00 0.00 C ATOM 438 O GLY A 26 3.159 3.421 -8.888 1.00 0.00 O ATOM 0 H GLY A 26 3.304 7.495 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.714 5.831 -9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.501 5.314 -10.603 1.00 0.00 H new ATOM 442 N ALA A 27 4.447 5.076 -8.062 1.00 0.00 N ATOM 443 CA ALA A 27 5.293 4.199 -7.267 1.00 0.00 C ATOM 444 C ALA A 27 4.593 3.799 -5.984 1.00 0.00 C ATOM 445 O ALA A 27 4.228 4.652 -5.173 1.00 0.00 O ATOM 446 CB ALA A 27 6.617 4.882 -6.950 1.00 0.00 C ATOM 0 H ALA A 27 4.686 6.065 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 27 5.492 3.299 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.238 4.213 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.132 5.125 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.429 5.797 -6.389 1.00 0.00 H new ATOM 452 N LEU A 28 4.415 2.506 -5.805 1.00 0.00 N ATOM 453 CA LEU A 28 3.737 1.991 -4.634 1.00 0.00 C ATOM 454 C LEU A 28 4.725 1.820 -3.487 1.00 0.00 C ATOM 455 O LEU A 28 5.778 1.200 -3.645 1.00 0.00 O ATOM 456 CB LEU A 28 3.043 0.666 -4.957 1.00 0.00 C ATOM 457 CG LEU A 28 2.157 0.697 -6.207 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.922 0.208 -7.427 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.896 -0.123 -5.993 1.00 0.00 C ATOM 0 H LEU A 28 4.732 1.790 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 28 2.974 2.707 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.803 -0.105 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.433 0.373 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 28 1.862 1.731 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.272 0.240 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.787 0.849 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.256 -0.816 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.282 -0.087 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.166 -1.157 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.334 0.286 -5.153 1.00 0.00 H new ATOM 471 N ASN A 29 4.384 2.384 -2.340 1.00 0.00 N ATOM 472 CA ASN A 29 5.255 2.354 -1.179 1.00 0.00 C ATOM 473 C ASN A 29 4.541 1.667 -0.029 1.00 0.00 C ATOM 474 O ASN A 29 3.306 1.648 0.013 1.00 0.00 O ATOM 475 CB ASN A 29 5.658 3.777 -0.781 1.00 0.00 C ATOM 476 CG ASN A 29 6.585 4.419 -1.794 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.800 4.369 -1.658 1.00 0.00 O ATOM 478 ND2 ASN A 29 6.021 5.023 -2.831 1.00 0.00 N ATOM 0 H ASN A 29 3.501 2.872 -2.189 1.00 0.00 H new ATOM 0 HA ASN A 29 6.160 1.797 -1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.762 4.389 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.148 3.754 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.603 5.463 -3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.005 5.048 -2.916 1.00 0.00 H new ATOM 485 N PRO A 30 5.294 1.083 0.913 1.00 0.00 N ATOM 486 CA PRO A 30 4.702 0.390 2.050 1.00 0.00 C ATOM 487 C PRO A 30 3.934 1.344 2.950 1.00 0.00 C ATOM 488 O PRO A 30 4.169 2.553 2.937 1.00 0.00 O ATOM 489 CB PRO A 30 5.901 -0.206 2.792 1.00 0.00 C ATOM 490 CG PRO A 30 7.074 0.596 2.348 1.00 0.00 C ATOM 491 CD PRO A 30 6.768 1.055 0.947 1.00 0.00 C ATOM 0 HA PRO A 30 3.980 -0.364 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.767 -0.143 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.030 -1.261 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.235 1.447 3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.985 -0.002 2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.194 2.038 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.175 0.371 0.202 1.00 0.00 H new ATOM 499 N ILE A 31 3.018 0.794 3.735 1.00 0.00 N ATOM 500 CA ILE A 31 2.226 1.587 4.669 1.00 0.00 C ATOM 501 C ILE A 31 3.135 2.239 5.720 1.00 0.00 C ATOM 502 O ILE A 31 2.749 3.196 6.388 1.00 0.00 O ATOM 503 CB ILE A 31 1.141 0.730 5.370 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.737 -0.191 6.450 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.379 -0.092 4.339 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.573 -1.336 5.914 1.00 0.00 C ATOM 0 H ILE A 31 2.803 -0.203 3.744 1.00 0.00 H new ATOM 0 HA ILE A 31 1.722 2.364 4.094 1.00 0.00 H new ATOM 0 HB ILE A 31 0.455 1.414 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.353 0.409 7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.923 -0.602 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.381 -0.691 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.100 0.576 3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.072 -0.750 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.951 -1.931 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.959 -1.964 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.411 -0.938 5.342 1.00 0.00 H new ATOM 518 N ARG A 32 4.354 1.710 5.837 1.00 0.00 N ATOM 519 CA ARG A 32 5.349 2.227 6.772 1.00 0.00 C ATOM 520 C ARG A 32 6.055 3.457 6.209 1.00 0.00 C ATOM 521 O ARG A 32 6.295 4.425 6.931 1.00 0.00 O ATOM 522 CB ARG A 32 6.396 1.160 7.084 1.00 0.00 C ATOM 523 CG ARG A 32 5.843 -0.079 7.761 1.00 0.00 C ATOM 524 CD ARG A 32 5.389 0.217 9.183 1.00 0.00 C ATOM 525 NE ARG A 32 4.958 -0.991 9.883 1.00 0.00 N ATOM 526 CZ ARG A 32 5.214 -1.242 11.168 1.00 0.00 C ATOM 527 NH1 ARG A 32 5.877 -0.363 11.909 1.00 0.00 N ATOM 528 NH2 ARG A 32 4.781 -2.367 11.720 1.00 0.00 N ATOM 0 H ARG A 32 4.677 0.914 5.287 1.00 0.00 H new ATOM 0 HA ARG A 32 4.821 2.506 7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.884 0.865 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.163 1.597 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.004 -0.466 7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.606 -0.857 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.205 0.684 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.569 0.935 9.160 1.00 0.00 H new ATOM 0 HE ARG A 32 4.428 -1.686 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.196 0.514 11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.068 -0.564 12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.253 -3.039 11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.976 -2.561 12.702 1.00 0.00 H new ATOM 542 N ALA A 33 6.384 3.410 4.919 1.00 0.00 N ATOM 543 CA ALA A 33 7.142 4.479 4.278 1.00 0.00 C ATOM 544 C ALA A 33 6.391 5.788 4.364 1.00 0.00 C ATOM 545 O ALA A 33 5.191 5.837 4.111 1.00 0.00 O ATOM 546 CB ALA A 33 7.422 4.147 2.827 1.00 0.00 C ATOM 0 H ALA A 33 6.136 2.640 4.297 1.00 0.00 H new ATOM 0 HA ALA A 33 8.091 4.577 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.988 4.959 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.000 3.225 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.480 4.018 2.295 1.00 0.00 H new ATOM 552 N THR A 34 7.096 6.844 4.710 1.00 0.00 N ATOM 553 CA THR A 34 6.462 8.127 4.904 1.00 0.00 C ATOM 554 C THR A 34 6.249 8.848 3.581 1.00 0.00 C ATOM 555 O THR A 34 5.419 9.756 3.486 1.00 0.00 O ATOM 556 CB THR A 34 7.281 9.006 5.861 1.00 0.00 C ATOM 557 OG1 THR A 34 8.626 9.142 5.376 1.00 0.00 O ATOM 558 CG2 THR A 34 7.299 8.393 7.252 1.00 0.00 C ATOM 0 H THR A 34 8.105 6.838 4.862 1.00 0.00 H new ATOM 0 HA THR A 34 5.485 7.942 5.351 1.00 0.00 H new ATOM 0 HB THR A 34 6.817 9.991 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.140 9.705 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.883 9.026 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.279 8.312 7.627 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.748 7.401 7.207 1.00 0.00 H new ATOM 566 N LYS A 35 6.977 8.435 2.552 1.00 0.00 N ATOM 567 CA LYS A 35 6.826 9.043 1.249 1.00 0.00 C ATOM 568 C LYS A 35 7.265 8.105 0.140 1.00 0.00 C ATOM 569 O LYS A 35 7.566 6.937 0.365 1.00 0.00 O ATOM 570 CB LYS A 35 7.609 10.349 1.166 1.00 0.00 C ATOM 571 CG LYS A 35 9.107 10.187 1.209 1.00 0.00 C ATOM 572 CD LYS A 35 9.766 11.537 1.370 1.00 0.00 C ATOM 573 CE LYS A 35 11.182 11.398 1.872 1.00 0.00 C ATOM 574 NZ LYS A 35 11.240 10.960 3.294 1.00 0.00 N ATOM 0 H LYS A 35 7.670 7.688 2.599 1.00 0.00 H new ATOM 0 HA LYS A 35 5.766 9.256 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.339 10.861 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.303 10.994 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.387 9.535 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.456 9.709 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.766 12.060 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.189 12.145 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.716 10.678 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.697 12.353 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.187 11.152 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.530 11.481 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.044 9.940 3.351 1.00 0.00 H new ATOM 588 N CYS A 36 7.266 8.647 -1.059 1.00 0.00 N ATOM 589 CA CYS A 36 7.678 7.939 -2.252 1.00 0.00 C ATOM 590 C CYS A 36 9.166 7.656 -2.232 1.00 0.00 C ATOM 591 O CYS A 36 9.964 8.571 -2.044 1.00 0.00 O ATOM 592 CB CYS A 36 7.369 8.824 -3.432 1.00 0.00 C ATOM 593 SG CYS A 36 7.710 8.117 -5.066 1.00 0.00 S ATOM 0 H CYS A 36 6.975 9.609 -1.235 1.00 0.00 H new ATOM 0 HA CYS A 36 7.151 6.987 -2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.315 9.098 -3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.942 9.745 -3.330 1.00 0.00 H new ATOM 598 N ARG A 37 9.542 6.414 -2.467 1.00 0.00 N ATOM 599 CA ARG A 37 10.950 6.058 -2.550 1.00 0.00 C ATOM 600 C ARG A 37 11.472 6.254 -3.971 1.00 0.00 C ATOM 601 O ARG A 37 12.530 5.749 -4.336 1.00 0.00 O ATOM 602 CB ARG A 37 11.175 4.621 -2.056 1.00 0.00 C ATOM 603 CG ARG A 37 10.430 3.555 -2.848 1.00 0.00 C ATOM 604 CD ARG A 37 10.229 2.289 -2.022 1.00 0.00 C ATOM 605 NE ARG A 37 11.494 1.735 -1.532 1.00 0.00 N ATOM 606 CZ ARG A 37 11.643 1.172 -0.335 1.00 0.00 C ATOM 607 NH1 ARG A 37 10.630 1.158 0.522 1.00 0.00 N ATOM 608 NH2 ARG A 37 12.810 0.647 0.019 1.00 0.00 N ATOM 0 H ARG A 37 8.897 5.636 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 37 11.516 6.722 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.242 4.402 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.871 4.558 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.462 3.944 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.987 3.316 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.580 2.510 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.718 1.541 -2.628 1.00 0.00 H new ATOM 0 HE ARG A 37 12.308 1.784 -2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.737 1.579 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.744 0.727 1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.598 0.674 -0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.918 0.217 0.938 1.00 0.00 H new ATOM 622 N ARG A 38 10.710 6.998 -4.767 1.00 0.00 N ATOM 623 CA ARG A 38 11.138 7.392 -6.103 1.00 0.00 C ATOM 624 C ARG A 38 11.419 8.889 -6.162 1.00 0.00 C ATOM 625 O ARG A 38 12.510 9.302 -6.544 1.00 0.00 O ATOM 626 CB ARG A 38 10.090 7.016 -7.154 1.00 0.00 C ATOM 627 CG ARG A 38 10.328 5.667 -7.819 1.00 0.00 C ATOM 628 CD ARG A 38 10.450 4.547 -6.802 1.00 0.00 C ATOM 629 NE ARG A 38 10.555 3.239 -7.439 1.00 0.00 N ATOM 630 CZ ARG A 38 11.539 2.374 -7.205 1.00 0.00 C ATOM 631 NH1 ARG A 38 12.552 2.711 -6.414 1.00 0.00 N ATOM 632 NH2 ARG A 38 11.525 1.182 -7.787 1.00 0.00 N ATOM 0 H ARG A 38 9.786 7.342 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 38 12.058 6.852 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.107 7.008 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.069 7.789 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.507 5.449 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.237 5.713 -8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.327 4.718 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.582 4.560 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 38 9.830 2.971 -8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.577 3.635 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.304 2.045 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.761 0.929 -8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.279 0.518 -7.608 1.00 0.00 H new ATOM 646 N CYS A 39 10.451 9.701 -5.748 1.00 0.00 N ATOM 647 CA CYS A 39 10.608 11.155 -5.850 1.00 0.00 C ATOM 648 C CYS A 39 10.589 11.821 -4.481 1.00 0.00 C ATOM 649 O CYS A 39 10.894 13.006 -4.371 1.00 0.00 O ATOM 650 CB CYS A 39 9.560 11.802 -6.784 1.00 0.00 C ATOM 651 SG CYS A 39 7.810 11.598 -6.290 1.00 0.00 S ATOM 0 H CYS A 39 9.566 9.390 -5.347 1.00 0.00 H new ATOM 0 HA CYS A 39 11.588 11.322 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.775 12.868 -6.855 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.686 11.384 -7.783 1.00 0.00 H new ATOM 656 N HIS A 40 10.243 11.059 -3.434 1.00 0.00 N ATOM 657 CA HIS A 40 10.305 11.570 -2.063 1.00 0.00 C ATOM 658 C HIS A 40 9.467 12.837 -1.914 1.00 0.00 C ATOM 659 O HIS A 40 9.851 13.772 -1.220 1.00 0.00 O ATOM 660 CB HIS A 40 11.763 11.857 -1.672 1.00 0.00 C ATOM 661 CG HIS A 40 12.665 10.670 -1.814 1.00 0.00 C ATOM 662 ND1 HIS A 40 13.690 10.608 -2.732 1.00 0.00 N ATOM 663 CD2 HIS A 40 12.692 9.497 -1.144 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.308 9.447 -2.619 1.00 0.00 C ATOM 665 NE2 HIS A 40 13.721 8.756 -1.663 1.00 0.00 N ATOM 0 H HIS A 40 9.920 10.095 -3.512 1.00 0.00 H new ATOM 0 HA HIS A 40 9.898 10.809 -1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.144 12.669 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.792 12.204 -0.639 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.026 9.199 -0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.151 9.119 -3.209 1.00 0.00 H new ATOM 0 HE2 HIS A 40 13.989 7.820 -1.358 1.00 0.00 H new ATOM 674 N SER A 41 8.294 12.831 -2.525 1.00 0.00 N ATOM 675 CA SER A 41 7.473 14.032 -2.613 1.00 0.00 C ATOM 676 C SER A 41 6.279 13.948 -1.677 1.00 0.00 C ATOM 677 O SER A 41 5.350 14.747 -1.768 1.00 0.00 O ATOM 678 CB SER A 41 7.016 14.244 -4.057 1.00 0.00 C ATOM 679 OG SER A 41 8.133 14.433 -4.911 1.00 0.00 O ATOM 0 H SER A 41 7.887 12.008 -2.969 1.00 0.00 H new ATOM 0 HA SER A 41 8.075 14.887 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.437 13.383 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.358 15.111 -4.112 1.00 0.00 H new ATOM 0 HG SER A 41 8.214 13.668 -5.518 1.00 0.00 H new ATOM 685 N THR A 42 6.329 12.963 -0.778 1.00 0.00 N ATOM 686 CA THR A 42 5.313 12.768 0.263 1.00 0.00 C ATOM 687 C THR A 42 3.890 12.816 -0.282 1.00 0.00 C ATOM 688 O THR A 42 2.966 13.222 0.417 1.00 0.00 O ATOM 689 CB THR A 42 5.478 13.802 1.403 1.00 0.00 C ATOM 690 OG1 THR A 42 5.420 15.142 0.895 1.00 0.00 O ATOM 691 CG2 THR A 42 6.804 13.597 2.110 1.00 0.00 C ATOM 0 H THR A 42 7.080 12.273 -0.750 1.00 0.00 H new ATOM 0 HA THR A 42 5.475 11.766 0.661 1.00 0.00 H new ATOM 0 HB THR A 42 4.659 13.654 2.107 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.092 15.128 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.907 14.331 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.840 12.593 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.619 13.720 1.397 1.00 0.00 H new ATOM 699 N ASN A 43 3.708 12.365 -1.515 1.00 0.00 N ATOM 700 CA ASN A 43 2.396 12.396 -2.131 1.00 0.00 C ATOM 701 C ASN A 43 1.993 11.008 -2.599 1.00 0.00 C ATOM 702 O ASN A 43 2.107 10.665 -3.781 1.00 0.00 O ATOM 703 CB ASN A 43 2.364 13.386 -3.293 1.00 0.00 C ATOM 704 CG ASN A 43 1.202 14.349 -3.175 1.00 0.00 C ATOM 705 OD1 ASN A 43 0.106 14.070 -3.643 1.00 0.00 O ATOM 706 ND2 ASN A 43 1.431 15.487 -2.542 1.00 0.00 N ATOM 0 H ASN A 43 4.447 11.977 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 43 1.677 12.729 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.299 13.945 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.291 12.841 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.680 16.168 -2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.358 15.684 -2.166 1.00 0.00 H new ATOM 713 N LEU A 44 1.572 10.196 -1.645 1.00 0.00 N ATOM 714 CA LEU A 44 1.104 8.851 -1.923 1.00 0.00 C ATOM 715 C LEU A 44 -0.372 8.751 -1.589 1.00 0.00 C ATOM 716 O LEU A 44 -0.857 9.444 -0.695 1.00 0.00 O ATOM 717 CB LEU A 44 1.877 7.837 -1.084 1.00 0.00 C ATOM 718 CG LEU A 44 3.384 8.056 -1.018 1.00 0.00 C ATOM 719 CD1 LEU A 44 4.013 7.076 -0.044 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.012 7.915 -2.390 1.00 0.00 C ATOM 0 H LEU A 44 1.545 10.451 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 44 1.262 8.635 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.480 7.853 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.689 6.841 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 44 3.568 9.071 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.090 7.242 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.587 7.225 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.815 6.056 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.088 8.076 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.820 6.914 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.580 8.654 -3.065 1.00 0.00 H new ATOM 732 N ARG A 45 -1.079 7.889 -2.292 1.00 0.00 N ATOM 733 CA ARG A 45 -2.487 7.680 -2.019 1.00 0.00 C ATOM 734 C ARG A 45 -2.712 6.234 -1.594 1.00 0.00 C ATOM 735 O ARG A 45 -2.321 5.300 -2.298 1.00 0.00 O ATOM 736 CB ARG A 45 -3.351 8.050 -3.238 1.00 0.00 C ATOM 737 CG ARG A 45 -3.141 7.167 -4.456 1.00 0.00 C ATOM 738 CD ARG A 45 -2.865 7.983 -5.708 1.00 0.00 C ATOM 739 NE ARG A 45 -2.639 7.119 -6.868 1.00 0.00 N ATOM 740 CZ ARG A 45 -2.413 7.556 -8.106 1.00 0.00 C ATOM 741 NH1 ARG A 45 -2.576 8.835 -8.409 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.094 6.690 -9.058 1.00 0.00 N ATOM 0 H ARG A 45 -0.704 7.324 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.792 8.336 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.401 8.004 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.141 9.083 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.307 6.489 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.025 6.549 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.707 8.647 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.992 8.615 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.656 6.110 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.877 9.495 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.401 9.160 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.023 5.696 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.920 7.018 -10.008 1.00 0.00 H new ATOM 756 N LEU A 46 -3.287 6.059 -0.415 1.00 0.00 N ATOM 757 CA LEU A 46 -3.554 4.729 0.112 1.00 0.00 C ATOM 758 C LEU A 46 -4.724 4.124 -0.648 1.00 0.00 C ATOM 759 O LEU A 46 -5.821 4.685 -0.657 1.00 0.00 O ATOM 760 CB LEU A 46 -3.842 4.812 1.626 1.00 0.00 C ATOM 761 CG LEU A 46 -3.834 3.483 2.409 1.00 0.00 C ATOM 762 CD1 LEU A 46 -5.127 2.703 2.205 1.00 0.00 C ATOM 763 CD2 LEU A 46 -2.648 2.631 2.004 1.00 0.00 C ATOM 0 H LEU A 46 -3.578 6.822 0.196 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.683 4.087 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.104 5.476 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.817 5.280 1.761 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.751 3.731 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.084 1.773 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.971 3.300 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.252 2.477 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.661 1.698 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.705 2.412 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.724 3.170 2.215 1.00 0.00 H new ATOM 775 N LYS A 47 -4.479 2.998 -1.305 1.00 0.00 N ATOM 776 CA LYS A 47 -5.498 2.354 -2.115 1.00 0.00 C ATOM 777 C LYS A 47 -6.563 1.730 -1.217 1.00 0.00 C ATOM 778 O LYS A 47 -6.416 0.611 -0.725 1.00 0.00 O ATOM 779 CB LYS A 47 -4.859 1.309 -3.037 1.00 0.00 C ATOM 780 CG LYS A 47 -3.708 1.871 -3.865 1.00 0.00 C ATOM 781 CD LYS A 47 -3.042 0.822 -4.750 1.00 0.00 C ATOM 782 CE LYS A 47 -3.820 0.568 -6.034 1.00 0.00 C ATOM 783 NZ LYS A 47 -5.036 -0.258 -5.813 1.00 0.00 N ATOM 0 H LYS A 47 -3.582 2.513 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.984 3.101 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.494 0.476 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.620 0.909 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.080 2.683 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.962 2.300 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.032 1.148 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.948 -0.111 -4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.109 1.522 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.172 0.068 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.061 -1.032 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.016 -0.655 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.883 0.335 -5.925 1.00 0.00 H new ATOM 797 N LYS A 48 -7.616 2.494 -0.981 1.00 0.00 N ATOM 798 CA LYS A 48 -8.677 2.101 -0.070 1.00 0.00 C ATOM 799 C LYS A 48 -9.567 1.027 -0.679 1.00 0.00 C ATOM 800 O LYS A 48 -10.121 1.203 -1.765 1.00 0.00 O ATOM 801 CB LYS A 48 -9.514 3.327 0.302 1.00 0.00 C ATOM 802 CG LYS A 48 -8.738 4.376 1.080 1.00 0.00 C ATOM 803 CD LYS A 48 -8.906 4.197 2.578 1.00 0.00 C ATOM 804 CE LYS A 48 -10.094 4.991 3.107 1.00 0.00 C ATOM 805 NZ LYS A 48 -11.393 4.570 2.513 1.00 0.00 N ATOM 0 H LYS A 48 -7.759 3.405 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.218 1.683 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.908 3.779 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.371 3.006 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.681 4.314 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.079 5.370 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.043 3.140 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.997 4.517 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.144 4.879 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.935 6.050 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.171 5.062 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.406 4.811 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.510 3.543 2.626 1.00 0.00 H new ATOM 819 N LYS A 49 -9.690 -0.090 0.024 1.00 0.00 N ATOM 820 CA LYS A 49 -10.612 -1.143 -0.369 1.00 0.00 C ATOM 821 C LYS A 49 -12.026 -0.757 0.046 1.00 0.00 C ATOM 822 O LYS A 49 -12.561 -1.266 1.029 1.00 0.00 O ATOM 823 CB LYS A 49 -10.218 -2.471 0.282 1.00 0.00 C ATOM 824 CG LYS A 49 -8.826 -2.958 -0.095 1.00 0.00 C ATOM 825 CD LYS A 49 -8.786 -3.547 -1.497 1.00 0.00 C ATOM 826 CE LYS A 49 -9.563 -4.850 -1.575 1.00 0.00 C ATOM 827 NZ LYS A 49 -9.351 -5.546 -2.873 1.00 0.00 N ATOM 0 H LYS A 49 -9.160 -0.290 0.872 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.571 -1.266 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.273 -2.363 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.946 -3.232 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.122 -2.128 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.499 -3.710 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.202 -2.831 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.751 -3.721 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.258 -5.504 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.626 -4.648 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.898 -6.430 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.666 -4.932 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.341 -5.762 -2.990 1.00 0.00 H new ATOM 841 N GLU A 50 -12.608 0.180 -0.682 1.00 0.00 N ATOM 842 CA GLU A 50 -13.919 0.696 -0.338 1.00 0.00 C ATOM 843 C GLU A 50 -14.954 0.270 -1.363 1.00 0.00 C ATOM 844 O GLU A 50 -14.978 0.776 -2.487 1.00 0.00 O ATOM 845 CB GLU A 50 -13.890 2.220 -0.240 1.00 0.00 C ATOM 846 CG GLU A 50 -15.166 2.806 0.331 1.00 0.00 C ATOM 847 CD GLU A 50 -15.235 4.307 0.175 1.00 0.00 C ATOM 848 OE1 GLU A 50 -14.504 5.019 0.891 1.00 0.00 O ATOM 849 OE2 GLU A 50 -16.026 4.778 -0.668 1.00 0.00 O ATOM 0 H GLU A 50 -12.193 0.598 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.195 0.283 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.048 2.522 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.718 2.638 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.024 2.353 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.238 2.550 1.388 1.00 0.00 H new ATOM 856 N LEU A 51 -15.796 -0.668 -0.974 1.00 0.00 N ATOM 857 CA LEU A 51 -16.903 -1.091 -1.813 1.00 0.00 C ATOM 858 C LEU A 51 -18.190 -0.430 -1.347 1.00 0.00 C ATOM 859 O LEU A 51 -18.315 -0.057 -0.176 1.00 0.00 O ATOM 860 CB LEU A 51 -17.065 -2.617 -1.796 1.00 0.00 C ATOM 861 CG LEU A 51 -16.074 -3.399 -2.661 1.00 0.00 C ATOM 862 CD1 LEU A 51 -14.681 -3.382 -2.052 1.00 0.00 C ATOM 863 CD2 LEU A 51 -16.565 -4.824 -2.857 1.00 0.00 C ATOM 0 H LEU A 51 -15.735 -1.154 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.686 -0.785 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.972 -2.962 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.076 -2.860 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.011 -2.915 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.999 -3.945 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.333 -2.352 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.711 -3.836 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.853 -5.373 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -16.658 -5.313 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.537 -4.809 -3.350 1.00 0.00 H new ATOM 875 N PRO A 52 -19.171 -0.285 -2.247 1.00 0.00 N ATOM 876 CA PRO A 52 -20.453 0.333 -1.917 1.00 0.00 C ATOM 877 C PRO A 52 -21.373 -0.628 -1.164 1.00 0.00 C ATOM 878 O PRO A 52 -22.573 -0.705 -1.432 1.00 0.00 O ATOM 879 CB PRO A 52 -21.029 0.687 -3.286 1.00 0.00 C ATOM 880 CG PRO A 52 -20.439 -0.309 -4.229 1.00 0.00 C ATOM 881 CD PRO A 52 -19.105 -0.714 -3.658 1.00 0.00 C ATOM 0 HA PRO A 52 -20.346 1.193 -1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -22.117 0.629 -3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.765 1.705 -3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.093 -1.175 -4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.319 0.123 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.946 -1.789 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.283 -0.229 -4.184 1.00 0.00 H new ATOM 889 N THR A 53 -20.792 -1.354 -0.220 1.00 0.00 N ATOM 890 CA THR A 53 -21.518 -2.323 0.578 1.00 0.00 C ATOM 891 C THR A 53 -22.531 -1.637 1.492 1.00 0.00 C ATOM 892 O THR A 53 -22.162 -0.932 2.436 1.00 0.00 O ATOM 893 CB THR A 53 -20.546 -3.166 1.427 1.00 0.00 C ATOM 894 OG1 THR A 53 -19.506 -3.692 0.590 1.00 0.00 O ATOM 895 CG2 THR A 53 -21.271 -4.312 2.117 1.00 0.00 C ATOM 0 H THR A 53 -19.801 -1.285 0.012 1.00 0.00 H new ATOM 0 HA THR A 53 -22.055 -2.977 -0.109 1.00 0.00 H new ATOM 0 HB THR A 53 -20.116 -2.521 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 53 -18.888 -4.226 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 53 -20.560 -4.889 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 53 -22.046 -3.911 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 53 -21.727 -4.958 1.367 1.00 0.00 H new ATOM 903 N LYS A 54 -23.804 -1.826 1.181 1.00 0.00 N ATOM 904 CA LYS A 54 -24.895 -1.318 2.001 1.00 0.00 C ATOM 905 C LYS A 54 -25.791 -2.487 2.405 1.00 0.00 C ATOM 906 O LYS A 54 -26.820 -2.323 3.058 1.00 0.00 O ATOM 907 CB LYS A 54 -25.694 -0.272 1.209 1.00 0.00 C ATOM 908 CG LYS A 54 -26.783 0.423 2.010 1.00 0.00 C ATOM 909 CD LYS A 54 -27.639 1.314 1.126 1.00 0.00 C ATOM 910 CE LYS A 54 -28.771 1.962 1.909 1.00 0.00 C ATOM 911 NZ LYS A 54 -29.654 2.784 1.035 1.00 0.00 N ATOM 0 H LYS A 54 -24.111 -2.336 0.353 1.00 0.00 H new ATOM 0 HA LYS A 54 -24.501 -0.841 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -25.005 0.481 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -26.148 -0.757 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -27.412 -0.323 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -26.330 1.020 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -27.016 2.088 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -28.053 0.725 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -29.363 1.188 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -28.354 2.590 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -30.412 3.208 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -29.095 3.538 0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -30.072 2.181 0.299 1.00 0.00 H new ATOM 925 N LYS A 55 -25.373 -3.676 1.999 1.00 0.00 N ATOM 926 CA LYS A 55 -26.155 -4.884 2.217 1.00 0.00 C ATOM 927 C LYS A 55 -25.472 -5.797 3.235 1.00 0.00 C ATOM 928 O LYS A 55 -26.089 -6.716 3.779 1.00 0.00 O ATOM 929 CB LYS A 55 -26.328 -5.608 0.880 1.00 0.00 C ATOM 930 CG LYS A 55 -27.331 -6.746 0.902 1.00 0.00 C ATOM 931 CD LYS A 55 -27.486 -7.347 -0.484 1.00 0.00 C ATOM 932 CE LYS A 55 -28.585 -8.393 -0.530 1.00 0.00 C ATOM 933 NZ LYS A 55 -28.810 -8.885 -1.913 1.00 0.00 N ATOM 0 H LYS A 55 -24.490 -3.831 1.513 1.00 0.00 H new ATOM 0 HA LYS A 55 -27.132 -4.614 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -26.637 -4.883 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -25.361 -6.000 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -27.003 -7.514 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -28.295 -6.382 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -27.709 -6.556 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -26.543 -7.798 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -28.320 -9.230 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -29.510 -7.968 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -29.567 -9.598 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -29.087 -8.090 -2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -27.934 -9.312 -2.276 1.00 0.00 H new ATOM 947 N GLY A 56 -24.201 -5.531 3.499 1.00 0.00 N ATOM 948 CA GLY A 56 -23.441 -6.373 4.395 1.00 0.00 C ATOM 949 C GLY A 56 -23.341 -5.777 5.779 1.00 0.00 C ATOM 950 O GLY A 56 -23.318 -4.536 5.894 1.00 0.00 O ATOM 951 OXT GLY A 56 -23.311 -6.547 6.761 1.00 0.00 O ATOM 0 H GLY A 56 -23.683 -4.745 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.910 -7.355 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.440 -6.522 3.991 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 6.907 9.512 -6.712 1.00 0.00 ZN