USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 464 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 1 MET N :NH3+ -114:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 40 TYR OH : rot 56:sc= 0.672 USER MOD Set 1.3: A 44 THR OG1 : rot 131:sc= 1.12 USER MOD Set 2.1: A 9 GLN : amide:sc= -12.1! C(o=-11!,f=-18!) USER MOD Set 2.2: A 32 CYS SG : rot 72:sc= 0.797 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.292 (180deg=-1.35!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0165 (180deg=-0.389) USER MOD Single : A 15 LYS NZ :NH3+ -132:sc= 0.212 (180deg=0.00701) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= -0.519 (180deg=-1.52) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.173) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 55 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.8) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.205 0.374 -1.374 1.00 0.00 N ATOM 2 CA MET A 1 2.435 -0.097 -2.065 1.00 0.00 C ATOM 3 C MET A 1 2.979 -1.319 -1.323 1.00 0.00 C ATOM 4 O MET A 1 2.656 -1.534 -0.158 1.00 0.00 O ATOM 5 CB MET A 1 3.466 1.029 -2.063 1.00 0.00 C ATOM 6 CG MET A 1 4.646 0.658 -2.954 1.00 0.00 C ATOM 7 SD MET A 1 5.767 2.074 -3.088 1.00 0.00 S ATOM 8 CE MET A 1 6.220 2.178 -1.339 1.00 0.00 C ATOM 0 H1 MET A 1 0.384 0.242 -1.998 1.00 0.00 H new ATOM 0 H2 MET A 1 1.067 -0.172 -0.500 1.00 0.00 H new ATOM 0 H3 MET A 1 1.303 1.383 -1.140 1.00 0.00 H new ATOM 0 HA MET A 1 2.214 -0.374 -3.096 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.008 1.953 -2.418 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.812 1.215 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.174 -0.200 -2.538 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.292 0.366 -3.943 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.279 2.420 -1.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.629 2.956 -0.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.026 1.221 -0.855 1.00 0.00 H new ATOM 20 N VAL A 2 3.796 -2.113 -2.010 1.00 0.00 N ATOM 21 CA VAL A 2 4.396 -3.302 -1.408 1.00 0.00 C ATOM 22 C VAL A 2 3.338 -4.386 -1.170 1.00 0.00 C ATOM 23 O VAL A 2 2.138 -4.113 -1.150 1.00 0.00 O ATOM 24 CB VAL A 2 5.072 -2.929 -0.087 1.00 0.00 C ATOM 25 CG1 VAL A 2 4.355 -3.603 1.081 1.00 0.00 C ATOM 26 CG2 VAL A 2 6.526 -3.386 -0.118 1.00 0.00 C ATOM 0 H VAL A 2 4.058 -1.956 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 2 5.143 -3.699 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 2 5.025 -1.848 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.845 -3.330 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.316 -3.276 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.392 -4.685 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.011 -3.122 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.565 -4.467 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.044 -2.897 -0.943 1.00 0.00 H new ATOM 36 N TYR A 3 3.801 -5.621 -1.009 1.00 0.00 N ATOM 37 CA TYR A 3 2.906 -6.740 -0.764 1.00 0.00 C ATOM 38 C TYR A 3 3.646 -7.812 0.051 1.00 0.00 C ATOM 39 O TYR A 3 4.593 -8.434 -0.420 1.00 0.00 O ATOM 40 CB TYR A 3 2.381 -7.291 -2.090 1.00 0.00 C ATOM 41 CG TYR A 3 3.508 -7.692 -3.022 1.00 0.00 C ATOM 42 CD1 TYR A 3 4.317 -6.714 -3.617 1.00 0.00 C ATOM 43 CD2 TYR A 3 3.683 -9.039 -3.365 1.00 0.00 C ATOM 44 CE1 TYR A 3 5.287 -7.083 -4.559 1.00 0.00 C ATOM 45 CE2 TYR A 3 4.649 -9.406 -4.310 1.00 0.00 C ATOM 46 CZ TYR A 3 5.451 -8.429 -4.908 1.00 0.00 C ATOM 47 OH TYR A 3 6.402 -8.790 -5.841 1.00 0.00 O ATOM 0 H TYR A 3 4.790 -5.870 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 3 2.043 -6.410 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.744 -8.155 -1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.759 -6.538 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.193 -5.675 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.071 -9.797 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.909 -6.328 -5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.775 -10.445 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 3 6.385 -9.762 -5.966 1.00 0.00 H new ATOM 57 N ASP A 4 3.182 -8.024 1.278 1.00 0.00 N ATOM 58 CA ASP A 4 3.837 -8.943 2.208 1.00 0.00 C ATOM 59 C ASP A 4 3.690 -10.428 1.825 1.00 0.00 C ATOM 60 O ASP A 4 4.398 -10.916 0.956 1.00 0.00 O ATOM 61 CB ASP A 4 3.281 -8.713 3.611 1.00 0.00 C ATOM 62 CG ASP A 4 3.607 -7.291 4.070 1.00 0.00 C ATOM 63 OD1 ASP A 4 4.777 -6.954 4.102 1.00 0.00 O ATOM 64 OD2 ASP A 4 2.678 -6.562 4.379 1.00 0.00 O ATOM 0 H ASP A 4 2.350 -7.570 1.655 1.00 0.00 H new ATOM 0 HA ASP A 4 4.904 -8.726 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.202 -8.868 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.709 -9.436 4.305 1.00 0.00 H new ATOM 69 N LYS A 5 2.774 -11.134 2.490 1.00 0.00 N ATOM 70 CA LYS A 5 2.588 -12.579 2.283 1.00 0.00 C ATOM 71 C LYS A 5 2.717 -12.999 0.817 1.00 0.00 C ATOM 72 O LYS A 5 3.409 -13.968 0.495 1.00 0.00 O ATOM 73 CB LYS A 5 1.213 -12.989 2.798 1.00 0.00 C ATOM 74 CG LYS A 5 1.153 -12.826 4.314 1.00 0.00 C ATOM 75 CD LYS A 5 -0.274 -13.077 4.791 1.00 0.00 C ATOM 76 CE LYS A 5 -0.351 -12.907 6.305 1.00 0.00 C ATOM 77 NZ LYS A 5 0.458 -13.968 6.972 1.00 0.00 N ATOM 0 H LYS A 5 2.143 -10.729 3.182 1.00 0.00 H new ATOM 0 HA LYS A 5 3.382 -13.083 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.443 -12.378 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.008 -14.025 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.838 -13.525 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.472 -11.823 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.958 -12.383 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.589 -14.083 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.019 -11.922 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.388 -12.966 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.172 -14.048 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.300 -14.877 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.467 -13.720 6.920 1.00 0.00 H new ATOM 91 N ILE A 6 2.054 -12.278 -0.056 1.00 0.00 N ATOM 92 CA ILE A 6 2.081 -12.594 -1.464 1.00 0.00 C ATOM 93 C ILE A 6 3.529 -12.589 -1.978 1.00 0.00 C ATOM 94 O ILE A 6 3.953 -13.533 -2.641 1.00 0.00 O ATOM 95 CB ILE A 6 1.196 -11.595 -2.224 1.00 0.00 C ATOM 96 CG1 ILE A 6 1.597 -11.545 -3.688 1.00 0.00 C ATOM 97 CG2 ILE A 6 1.300 -10.206 -1.612 1.00 0.00 C ATOM 98 CD1 ILE A 6 0.718 -12.516 -4.449 1.00 0.00 C ATOM 0 H ILE A 6 1.487 -11.465 0.186 1.00 0.00 H new ATOM 0 HA ILE A 6 1.683 -13.595 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 6 0.162 -11.931 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.478 -10.535 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.648 -11.811 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.665 -9.515 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.976 -10.241 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.334 -9.865 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.987 -12.499 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.861 -13.522 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.327 -12.227 -4.336 1.00 0.00 H new ATOM 110 N ALA A 7 4.298 -11.554 -1.660 1.00 0.00 N ATOM 111 CA ALA A 7 5.691 -11.514 -2.090 1.00 0.00 C ATOM 112 C ALA A 7 6.493 -12.547 -1.305 1.00 0.00 C ATOM 113 O ALA A 7 7.321 -13.263 -1.862 1.00 0.00 O ATOM 114 CB ALA A 7 6.293 -10.138 -1.829 1.00 0.00 C ATOM 0 H ALA A 7 3.990 -10.747 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 7 5.729 -11.730 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.333 -10.128 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.731 -9.384 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.246 -9.917 -0.763 1.00 0.00 H new ATOM 120 N ALA A 8 6.216 -12.604 -0.008 1.00 0.00 N ATOM 121 CA ALA A 8 6.906 -13.504 0.905 1.00 0.00 C ATOM 122 C ALA A 8 7.214 -14.849 0.256 1.00 0.00 C ATOM 123 O ALA A 8 8.370 -15.152 -0.037 1.00 0.00 O ATOM 124 CB ALA A 8 6.055 -13.726 2.152 1.00 0.00 C ATOM 0 H ALA A 8 5.505 -12.026 0.440 1.00 0.00 H new ATOM 0 HA ALA A 8 7.853 -13.037 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.575 -14.400 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.882 -12.771 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.099 -14.165 1.867 1.00 0.00 H new ATOM 130 N GLN A 9 6.198 -15.663 0.012 1.00 0.00 N ATOM 131 CA GLN A 9 6.479 -16.964 -0.557 1.00 0.00 C ATOM 132 C GLN A 9 6.542 -16.891 -2.088 1.00 0.00 C ATOM 133 O GLN A 9 7.084 -17.785 -2.739 1.00 0.00 O ATOM 134 CB GLN A 9 5.463 -17.986 -0.075 1.00 0.00 C ATOM 135 CG GLN A 9 4.081 -17.619 -0.550 1.00 0.00 C ATOM 136 CD GLN A 9 3.906 -18.229 -1.917 1.00 0.00 C ATOM 137 OE1 GLN A 9 4.054 -19.431 -2.090 1.00 0.00 O ATOM 138 NE2 GLN A 9 3.621 -17.443 -2.898 1.00 0.00 N ATOM 0 H GLN A 9 5.215 -15.457 0.190 1.00 0.00 H new ATOM 0 HA GLN A 9 7.460 -17.291 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.730 -18.976 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.478 -18.038 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.324 -17.994 0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.963 -16.536 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.502 -16.444 -2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.515 -17.820 -3.840 1.00 0.00 H new ATOM 147 N GLY A 10 5.974 -15.841 -2.668 1.00 0.00 N ATOM 148 CA GLY A 10 6.045 -15.672 -4.109 1.00 0.00 C ATOM 149 C GLY A 10 7.504 -15.764 -4.557 1.00 0.00 C ATOM 150 O GLY A 10 7.854 -16.534 -5.453 1.00 0.00 O ATOM 0 H GLY A 10 5.468 -15.107 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.451 -16.439 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.625 -14.708 -4.395 1.00 0.00 H new ATOM 154 N GLU A 11 8.353 -14.978 -3.911 1.00 0.00 N ATOM 155 CA GLU A 11 9.769 -14.971 -4.238 1.00 0.00 C ATOM 156 C GLU A 11 10.416 -16.300 -3.839 1.00 0.00 C ATOM 157 O GLU A 11 11.390 -16.730 -4.453 1.00 0.00 O ATOM 158 CB GLU A 11 10.463 -13.820 -3.515 1.00 0.00 C ATOM 159 CG GLU A 11 10.354 -14.017 -2.008 1.00 0.00 C ATOM 160 CD GLU A 11 10.913 -12.792 -1.285 1.00 0.00 C ATOM 161 OE1 GLU A 11 12.099 -12.540 -1.416 1.00 0.00 O ATOM 162 OE2 GLU A 11 10.143 -12.123 -0.615 1.00 0.00 O ATOM 0 H GLU A 11 8.087 -14.340 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 11 9.878 -14.838 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.511 -13.772 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.008 -12.872 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.313 -14.173 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.903 -14.910 -1.708 1.00 0.00 H new ATOM 169 N VAL A 12 9.878 -16.947 -2.808 1.00 0.00 N ATOM 170 CA VAL A 12 10.423 -18.225 -2.370 1.00 0.00 C ATOM 171 C VAL A 12 10.582 -19.152 -3.577 1.00 0.00 C ATOM 172 O VAL A 12 11.673 -19.637 -3.865 1.00 0.00 O ATOM 173 CB VAL A 12 9.494 -18.857 -1.334 1.00 0.00 C ATOM 174 CG1 VAL A 12 9.904 -20.303 -1.078 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.584 -18.075 -0.030 1.00 0.00 C ATOM 0 H VAL A 12 9.079 -16.613 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 12 11.400 -18.067 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 12 8.472 -18.834 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.236 -20.745 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.842 -20.869 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.928 -20.330 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.922 -18.524 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.610 -18.099 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.285 -17.041 -0.204 1.00 0.00 H new ATOM 185 N VAL A 13 9.491 -19.380 -4.291 1.00 0.00 N ATOM 186 CA VAL A 13 9.535 -20.244 -5.463 1.00 0.00 C ATOM 187 C VAL A 13 10.396 -19.626 -6.562 1.00 0.00 C ATOM 188 O VAL A 13 11.140 -20.330 -7.243 1.00 0.00 O ATOM 189 CB VAL A 13 8.133 -20.486 -5.980 1.00 0.00 C ATOM 190 CG1 VAL A 13 8.165 -20.661 -7.494 1.00 0.00 C ATOM 191 CG2 VAL A 13 7.593 -21.749 -5.326 1.00 0.00 C ATOM 0 H VAL A 13 8.574 -18.985 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 13 9.980 -21.195 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 13 7.493 -19.637 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.154 -20.835 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.569 -19.760 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.795 -21.513 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.582 -21.941 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.235 -22.593 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.574 -21.619 -4.244 1.00 0.00 H new ATOM 201 N ARG A 14 10.280 -18.318 -6.750 1.00 0.00 N ATOM 202 CA ARG A 14 11.078 -17.642 -7.761 1.00 0.00 C ATOM 203 C ARG A 14 12.551 -18.015 -7.587 1.00 0.00 C ATOM 204 O ARG A 14 13.244 -18.327 -8.555 1.00 0.00 O ATOM 205 CB ARG A 14 10.904 -16.131 -7.635 1.00 0.00 C ATOM 206 CG ARG A 14 9.637 -15.704 -8.369 1.00 0.00 C ATOM 207 CD ARG A 14 9.899 -15.706 -9.873 1.00 0.00 C ATOM 208 NE ARG A 14 8.644 -15.577 -10.601 1.00 0.00 N ATOM 209 CZ ARG A 14 8.618 -15.525 -11.931 1.00 0.00 C ATOM 210 NH1 ARG A 14 9.734 -15.558 -12.617 1.00 0.00 N ATOM 211 NH2 ARG A 14 7.474 -15.438 -12.557 1.00 0.00 N ATOM 0 H ARG A 14 9.650 -17.712 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 14 10.744 -17.954 -8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.842 -15.847 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.770 -15.618 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.818 -16.383 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.332 -14.710 -8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.566 -14.885 -10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.402 -16.629 -10.161 1.00 0.00 H new ATOM 0 HE ARG A 14 7.768 -15.525 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.629 -15.624 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.708 -15.518 -13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.603 -15.410 -12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.452 -15.398 -13.576 1.00 0.00 H new ATOM 225 N LYS A 15 13.023 -17.986 -6.349 1.00 0.00 N ATOM 226 CA LYS A 15 14.404 -18.340 -6.072 1.00 0.00 C ATOM 227 C LYS A 15 14.592 -19.856 -6.190 1.00 0.00 C ATOM 228 O LYS A 15 15.634 -20.325 -6.639 1.00 0.00 O ATOM 229 CB LYS A 15 14.790 -17.885 -4.670 1.00 0.00 C ATOM 230 CG LYS A 15 16.298 -17.657 -4.616 1.00 0.00 C ATOM 231 CD LYS A 15 16.829 -18.028 -3.236 1.00 0.00 C ATOM 232 CE LYS A 15 16.802 -19.545 -3.073 1.00 0.00 C ATOM 233 NZ LYS A 15 17.724 -19.944 -1.972 1.00 0.00 N ATOM 0 H LYS A 15 12.475 -17.724 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 15 15.045 -17.842 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.262 -16.967 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.497 -18.636 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.793 -18.257 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.525 -16.613 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.846 -17.656 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.222 -17.557 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.788 -19.879 -2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.101 -20.027 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.328 -20.728 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.320 -19.134 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.168 -20.250 -1.148 1.00 0.00 H new ATOM 247 N LEU A 16 13.584 -20.621 -5.783 1.00 0.00 N ATOM 248 CA LEU A 16 13.676 -22.072 -5.863 1.00 0.00 C ATOM 249 C LEU A 16 13.959 -22.500 -7.305 1.00 0.00 C ATOM 250 O LEU A 16 14.967 -23.146 -7.583 1.00 0.00 O ATOM 251 CB LEU A 16 12.375 -22.702 -5.381 1.00 0.00 C ATOM 252 CG LEU A 16 12.594 -23.334 -4.010 1.00 0.00 C ATOM 253 CD1 LEU A 16 13.041 -22.265 -3.018 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.291 -23.962 -3.525 1.00 0.00 C ATOM 0 H LEU A 16 12.708 -20.266 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 16 14.493 -22.411 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.592 -21.946 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.039 -23.457 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 16 13.363 -24.102 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.197 -22.719 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.973 -21.816 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.273 -21.495 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.447 -24.414 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.522 -23.193 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.972 -24.728 -4.231 1.00 0.00 H new ATOM 266 N LYS A 17 13.069 -22.136 -8.219 1.00 0.00 N ATOM 267 CA LYS A 17 13.261 -22.487 -9.617 1.00 0.00 C ATOM 268 C LYS A 17 14.579 -21.890 -10.129 1.00 0.00 C ATOM 269 O LYS A 17 15.222 -22.455 -11.013 1.00 0.00 O ATOM 270 CB LYS A 17 12.084 -21.982 -10.454 1.00 0.00 C ATOM 271 CG LYS A 17 12.093 -20.458 -10.524 1.00 0.00 C ATOM 272 CD LYS A 17 12.804 -20.010 -11.799 1.00 0.00 C ATOM 273 CE LYS A 17 12.806 -18.485 -11.877 1.00 0.00 C ATOM 274 NZ LYS A 17 13.522 -18.052 -13.112 1.00 0.00 N ATOM 0 H LYS A 17 12.220 -21.606 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 17 13.309 -23.572 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.140 -22.398 -11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.146 -22.326 -10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.072 -20.077 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.598 -20.046 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.827 -20.386 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.303 -20.428 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.783 -18.109 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.292 -18.066 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.524 -17.013 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.502 -18.399 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.040 -18.441 -13.947 1.00 0.00 H new ATOM 288 N ALA A 18 14.977 -20.749 -9.574 1.00 0.00 N ATOM 289 CA ALA A 18 16.226 -20.118 -9.978 1.00 0.00 C ATOM 290 C ALA A 18 17.400 -21.041 -9.649 1.00 0.00 C ATOM 291 O ALA A 18 18.250 -21.312 -10.495 1.00 0.00 O ATOM 292 CB ALA A 18 16.398 -18.788 -9.251 1.00 0.00 C ATOM 0 H ALA A 18 14.459 -20.248 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 18 16.201 -19.935 -11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.335 -18.323 -9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.567 -18.128 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.416 -18.961 -8.175 1.00 0.00 H new ATOM 298 N GLU A 19 17.436 -21.523 -8.416 1.00 0.00 N ATOM 299 CA GLU A 19 18.498 -22.427 -7.991 1.00 0.00 C ATOM 300 C GLU A 19 18.125 -23.885 -8.303 1.00 0.00 C ATOM 301 O GLU A 19 18.800 -24.809 -7.855 1.00 0.00 O ATOM 302 CB GLU A 19 18.738 -22.270 -6.494 1.00 0.00 C ATOM 303 CG GLU A 19 19.166 -20.838 -6.194 1.00 0.00 C ATOM 304 CD GLU A 19 19.425 -20.675 -4.697 1.00 0.00 C ATOM 305 OE1 GLU A 19 19.269 -21.649 -3.979 1.00 0.00 O ATOM 306 OE2 GLU A 19 19.772 -19.578 -4.289 1.00 0.00 O ATOM 0 H GLU A 19 16.748 -21.306 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 19 19.408 -22.175 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.830 -22.512 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.508 -22.967 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.067 -20.593 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.391 -20.143 -6.516 1.00 0.00 H new ATOM 313 N LYS A 20 17.044 -24.075 -9.058 1.00 0.00 N ATOM 314 CA LYS A 20 16.585 -25.405 -9.442 1.00 0.00 C ATOM 315 C LYS A 20 15.915 -26.106 -8.262 1.00 0.00 C ATOM 316 O LYS A 20 16.575 -26.608 -7.353 1.00 0.00 O ATOM 317 CB LYS A 20 17.742 -26.248 -9.969 1.00 0.00 C ATOM 318 CG LYS A 20 18.320 -25.583 -11.213 1.00 0.00 C ATOM 319 CD LYS A 20 19.206 -26.573 -11.958 1.00 0.00 C ATOM 320 CE LYS A 20 19.616 -25.974 -13.299 1.00 0.00 C ATOM 321 NZ LYS A 20 20.369 -26.989 -14.088 1.00 0.00 N ATOM 0 H LYS A 20 16.466 -23.315 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 20 15.852 -25.290 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.512 -26.348 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.396 -27.254 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.514 -25.241 -11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.898 -24.703 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 20 20.091 -26.805 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.672 -27.510 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.733 -25.651 -13.850 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.233 -25.090 -13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.649 -26.580 -15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 21.219 -27.276 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.765 -27.820 -14.250 1.00 0.00 H new ATOM 335 N ALA A 21 14.594 -26.131 -8.297 1.00 0.00 N ATOM 336 CA ALA A 21 13.811 -26.767 -7.253 1.00 0.00 C ATOM 337 C ALA A 21 12.722 -27.615 -7.913 1.00 0.00 C ATOM 338 O ALA A 21 12.633 -27.665 -9.140 1.00 0.00 O ATOM 339 CB ALA A 21 13.185 -25.691 -6.370 1.00 0.00 C ATOM 0 H ALA A 21 14.038 -25.714 -9.044 1.00 0.00 H new ATOM 0 HA ALA A 21 14.442 -27.405 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.596 -26.163 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.972 -25.086 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.539 -25.054 -6.975 1.00 0.00 H new ATOM 345 N PRO A 22 11.871 -28.294 -7.129 1.00 0.00 N ATOM 346 CA PRO A 22 10.810 -29.127 -7.676 1.00 0.00 C ATOM 347 C PRO A 22 9.617 -28.301 -8.160 1.00 0.00 C ATOM 348 O PRO A 22 9.260 -27.285 -7.565 1.00 0.00 O ATOM 349 CB PRO A 22 10.422 -30.031 -6.516 1.00 0.00 C ATOM 350 CG PRO A 22 10.792 -29.251 -5.260 1.00 0.00 C ATOM 351 CD PRO A 22 11.896 -28.273 -5.668 1.00 0.00 C ATOM 0 HA PRO A 22 11.138 -29.681 -8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.357 -30.262 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.955 -30.980 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.927 -28.718 -4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.139 -29.922 -4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.705 -27.272 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.867 -28.584 -5.282 1.00 0.00 H new ATOM 359 N LYS A 23 9.004 -28.750 -9.245 1.00 0.00 N ATOM 360 CA LYS A 23 7.858 -28.050 -9.808 1.00 0.00 C ATOM 361 C LYS A 23 6.722 -27.973 -8.784 1.00 0.00 C ATOM 362 O LYS A 23 5.982 -26.993 -8.741 1.00 0.00 O ATOM 363 CB LYS A 23 7.373 -28.771 -11.065 1.00 0.00 C ATOM 364 CG LYS A 23 7.044 -30.226 -10.736 1.00 0.00 C ATOM 365 CD LYS A 23 6.562 -30.936 -11.996 1.00 0.00 C ATOM 366 CE LYS A 23 6.348 -32.417 -11.695 1.00 0.00 C ATOM 367 NZ LYS A 23 5.810 -33.102 -12.906 1.00 0.00 N ATOM 0 H LYS A 23 9.279 -29.592 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 23 8.164 -27.037 -10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.491 -28.271 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.140 -28.728 -11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.926 -30.728 -10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.276 -30.271 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.633 -30.487 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.294 -30.818 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.289 -32.877 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.655 -32.532 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.665 -34.111 -12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.903 -32.670 -13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.486 -33.003 -13.690 1.00 0.00 H new ATOM 381 N ALA A 24 6.598 -29.006 -7.960 1.00 0.00 N ATOM 382 CA ALA A 24 5.550 -29.043 -6.950 1.00 0.00 C ATOM 383 C ALA A 24 5.621 -27.809 -6.048 1.00 0.00 C ATOM 384 O ALA A 24 4.600 -27.299 -5.599 1.00 0.00 O ATOM 385 CB ALA A 24 5.699 -30.301 -6.102 1.00 0.00 C ATOM 0 H ALA A 24 7.207 -29.824 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 24 4.584 -29.050 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.913 -30.326 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.618 -31.181 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.673 -30.296 -5.612 1.00 0.00 H new ATOM 391 N LYS A 25 6.828 -27.330 -5.796 1.00 0.00 N ATOM 392 CA LYS A 25 7.006 -26.177 -4.938 1.00 0.00 C ATOM 393 C LYS A 25 6.731 -24.896 -5.718 1.00 0.00 C ATOM 394 O LYS A 25 6.017 -24.017 -5.248 1.00 0.00 O ATOM 395 CB LYS A 25 8.426 -26.165 -4.387 1.00 0.00 C ATOM 396 CG LYS A 25 8.502 -27.063 -3.152 1.00 0.00 C ATOM 397 CD LYS A 25 7.795 -28.389 -3.429 1.00 0.00 C ATOM 398 CE LYS A 25 7.995 -29.329 -2.244 1.00 0.00 C ATOM 399 NZ LYS A 25 7.265 -30.604 -2.494 1.00 0.00 N ATOM 0 H LYS A 25 7.692 -27.721 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 25 6.302 -26.235 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.125 -26.514 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.718 -25.147 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.544 -27.245 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.039 -26.565 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.731 -28.218 -3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.192 -28.842 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.057 -29.528 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.630 -28.862 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.401 -31.246 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.251 -30.406 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.633 -31.051 -3.358 1.00 0.00 H new ATOM 413 N VAL A 26 7.289 -24.804 -6.913 1.00 0.00 N ATOM 414 CA VAL A 26 7.079 -23.629 -7.742 1.00 0.00 C ATOM 415 C VAL A 26 5.578 -23.352 -7.901 1.00 0.00 C ATOM 416 O VAL A 26 5.119 -22.232 -7.677 1.00 0.00 O ATOM 417 CB VAL A 26 7.719 -23.850 -9.107 1.00 0.00 C ATOM 418 CG1 VAL A 26 7.229 -22.786 -10.086 1.00 0.00 C ATOM 419 CG2 VAL A 26 9.234 -23.750 -8.969 1.00 0.00 C ATOM 0 H VAL A 26 7.885 -25.520 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 26 7.541 -22.766 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 26 7.444 -24.836 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.690 -22.948 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.145 -22.851 -10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.502 -21.798 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.699 -23.907 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.501 -22.762 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.587 -24.510 -8.271 1.00 0.00 H new ATOM 429 N THR A 27 4.811 -24.364 -8.288 1.00 0.00 N ATOM 430 CA THR A 27 3.371 -24.178 -8.440 1.00 0.00 C ATOM 431 C THR A 27 2.741 -23.886 -7.079 1.00 0.00 C ATOM 432 O THR A 27 1.772 -23.135 -6.976 1.00 0.00 O ATOM 433 CB THR A 27 2.732 -25.413 -9.068 1.00 0.00 C ATOM 434 OG1 THR A 27 1.345 -25.175 -9.264 1.00 0.00 O ATOM 435 CG2 THR A 27 2.916 -26.620 -8.155 1.00 0.00 C ATOM 0 H THR A 27 5.151 -25.302 -8.499 1.00 0.00 H new ATOM 0 HA THR A 27 3.195 -23.331 -9.103 1.00 0.00 H new ATOM 0 HB THR A 27 3.211 -25.616 -10.026 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.931 -25.966 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.456 -27.496 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.980 -26.805 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.444 -26.424 -7.193 1.00 0.00 H new ATOM 443 N GLU A 28 3.285 -24.496 -6.033 1.00 0.00 N ATOM 444 CA GLU A 28 2.792 -24.253 -4.694 1.00 0.00 C ATOM 445 C GLU A 28 2.776 -22.746 -4.445 1.00 0.00 C ATOM 446 O GLU A 28 1.833 -22.203 -3.883 1.00 0.00 O ATOM 447 CB GLU A 28 3.704 -24.941 -3.686 1.00 0.00 C ATOM 448 CG GLU A 28 2.883 -25.434 -2.504 1.00 0.00 C ATOM 449 CD GLU A 28 2.497 -24.257 -1.608 1.00 0.00 C ATOM 450 OE1 GLU A 28 3.389 -23.527 -1.210 1.00 0.00 O ATOM 451 OE2 GLU A 28 1.319 -24.109 -1.333 1.00 0.00 O ATOM 0 H GLU A 28 4.061 -25.156 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 28 1.783 -24.652 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.218 -25.778 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.472 -24.248 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.986 -25.940 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.456 -26.164 -1.932 1.00 0.00 H new ATOM 458 N ALA A 29 3.827 -22.067 -4.874 1.00 0.00 N ATOM 459 CA ALA A 29 3.879 -20.625 -4.708 1.00 0.00 C ATOM 460 C ALA A 29 2.871 -19.955 -5.636 1.00 0.00 C ATOM 461 O ALA A 29 2.218 -18.987 -5.258 1.00 0.00 O ATOM 462 CB ALA A 29 5.274 -20.101 -5.009 1.00 0.00 C ATOM 0 H ALA A 29 4.640 -22.481 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 29 3.631 -20.390 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.292 -19.019 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.990 -20.560 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.541 -20.347 -6.037 1.00 0.00 H new ATOM 468 N VAL A 30 2.746 -20.481 -6.843 1.00 0.00 N ATOM 469 CA VAL A 30 1.812 -19.934 -7.810 1.00 0.00 C ATOM 470 C VAL A 30 0.443 -19.718 -7.161 1.00 0.00 C ATOM 471 O VAL A 30 -0.143 -18.639 -7.247 1.00 0.00 O ATOM 472 CB VAL A 30 1.683 -20.902 -8.990 1.00 0.00 C ATOM 473 CG1 VAL A 30 0.224 -21.004 -9.424 1.00 0.00 C ATOM 474 CG2 VAL A 30 2.523 -20.395 -10.157 1.00 0.00 C ATOM 0 H VAL A 30 3.279 -21.285 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 30 2.184 -18.973 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 30 2.035 -21.887 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.142 -21.694 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.378 -21.370 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.135 -20.020 -9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.432 -21.083 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.171 -19.408 -10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.568 -20.331 -9.853 1.00 0.00 H new ATOM 484 N GLU A 31 -0.057 -20.750 -6.512 1.00 0.00 N ATOM 485 CA GLU A 31 -1.356 -20.673 -5.863 1.00 0.00 C ATOM 486 C GLU A 31 -1.355 -19.698 -4.671 1.00 0.00 C ATOM 487 O GLU A 31 -2.290 -18.913 -4.529 1.00 0.00 O ATOM 488 CB GLU A 31 -1.794 -22.057 -5.412 1.00 0.00 C ATOM 489 CG GLU A 31 -0.713 -22.675 -4.549 1.00 0.00 C ATOM 490 CD GLU A 31 -1.166 -24.048 -4.055 1.00 0.00 C ATOM 491 OE1 GLU A 31 -1.329 -24.927 -4.885 1.00 0.00 O ATOM 492 OE2 GLU A 31 -1.349 -24.195 -2.858 1.00 0.00 O ATOM 0 H GLU A 31 0.413 -21.651 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.066 -20.286 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.727 -21.990 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.987 -22.689 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.211 -22.770 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.497 -22.026 -3.700 1.00 0.00 H new ATOM 499 N CYS A 32 -0.331 -19.733 -3.806 1.00 0.00 N ATOM 500 CA CYS A 32 -0.322 -18.822 -2.667 1.00 0.00 C ATOM 501 C CYS A 32 -0.416 -17.397 -3.182 1.00 0.00 C ATOM 502 O CYS A 32 -1.080 -16.556 -2.593 1.00 0.00 O ATOM 503 CB CYS A 32 0.943 -18.978 -1.826 1.00 0.00 C ATOM 504 SG CYS A 32 1.336 -20.732 -1.632 1.00 0.00 S ATOM 0 H CYS A 32 0.471 -20.360 -3.872 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.174 -19.059 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.775 -18.460 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.800 -18.518 -0.848 1.00 0.00 H new ATOM 0 HG CYS A 32 1.763 -21.209 -2.763 1.00 0.00 H new ATOM 510 N LEU A 33 0.253 -17.138 -4.288 1.00 0.00 N ATOM 511 CA LEU A 33 0.211 -15.830 -4.895 1.00 0.00 C ATOM 512 C LEU A 33 -1.230 -15.510 -5.260 1.00 0.00 C ATOM 513 O LEU A 33 -1.775 -14.495 -4.848 1.00 0.00 O ATOM 514 CB LEU A 33 1.073 -15.820 -6.150 1.00 0.00 C ATOM 515 CG LEU A 33 2.525 -16.067 -5.768 1.00 0.00 C ATOM 516 CD1 LEU A 33 3.341 -16.391 -7.011 1.00 0.00 C ATOM 517 CD2 LEU A 33 3.084 -14.822 -5.103 1.00 0.00 C ATOM 0 H LEU A 33 0.831 -17.818 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 33 0.592 -15.083 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.732 -16.588 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.978 -14.862 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 33 2.580 -16.909 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.379 -16.566 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.938 -17.285 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.291 -15.554 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.124 -14.993 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.026 -13.982 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.504 -14.596 -4.208 1.00 0.00 H new ATOM 529 N LEU A 34 -1.850 -16.407 -6.008 1.00 0.00 N ATOM 530 CA LEU A 34 -3.228 -16.208 -6.428 1.00 0.00 C ATOM 531 C LEU A 34 -4.117 -15.926 -5.214 1.00 0.00 C ATOM 532 O LEU A 34 -4.819 -14.912 -5.154 1.00 0.00 O ATOM 533 CB LEU A 34 -3.720 -17.464 -7.138 1.00 0.00 C ATOM 534 CG LEU A 34 -5.021 -17.163 -7.871 1.00 0.00 C ATOM 535 CD1 LEU A 34 -4.709 -16.509 -9.213 1.00 0.00 C ATOM 536 CD2 LEU A 34 -5.782 -18.465 -8.102 1.00 0.00 C ATOM 0 H LEU A 34 -1.425 -17.275 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.276 -15.355 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.966 -17.813 -7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.875 -18.265 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.630 -16.486 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.640 -16.293 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.163 -15.581 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.101 -17.185 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.714 -18.254 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.173 -19.141 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.004 -18.932 -7.142 1.00 0.00 H new ATOM 548 N SER A 35 -4.057 -16.817 -4.243 1.00 0.00 N ATOM 549 CA SER A 35 -4.870 -16.685 -3.044 1.00 0.00 C ATOM 550 C SER A 35 -4.539 -15.389 -2.302 1.00 0.00 C ATOM 551 O SER A 35 -5.401 -14.538 -2.105 1.00 0.00 O ATOM 552 CB SER A 35 -4.625 -17.878 -2.126 1.00 0.00 C ATOM 553 OG SER A 35 -5.360 -17.708 -0.922 1.00 0.00 O ATOM 0 H SER A 35 -3.455 -17.640 -4.259 1.00 0.00 H new ATOM 0 HA SER A 35 -5.919 -16.656 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.927 -18.800 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.561 -17.969 -1.906 1.00 0.00 H new ATOM 0 HG SER A 35 -5.204 -18.475 -0.332 1.00 0.00 H new ATOM 559 N LEU A 36 -3.284 -15.242 -1.914 1.00 0.00 N ATOM 560 CA LEU A 36 -2.855 -14.067 -1.169 1.00 0.00 C ATOM 561 C LEU A 36 -3.245 -12.796 -1.913 1.00 0.00 C ATOM 562 O LEU A 36 -3.693 -11.835 -1.311 1.00 0.00 O ATOM 563 CB LEU A 36 -1.343 -14.101 -0.963 1.00 0.00 C ATOM 564 CG LEU A 36 -0.980 -13.406 0.349 1.00 0.00 C ATOM 565 CD1 LEU A 36 -1.380 -11.936 0.294 1.00 0.00 C ATOM 566 CD2 LEU A 36 -1.719 -14.081 1.497 1.00 0.00 C ATOM 0 H LEU A 36 -2.544 -15.919 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.349 -14.073 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.993 -15.133 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.843 -13.608 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 36 0.097 -13.479 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.116 -11.452 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.855 -11.446 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.455 -11.857 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.463 -13.588 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.794 -14.008 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.430 -15.131 1.548 1.00 0.00 H new ATOM 578 N LYS A 37 -3.075 -12.793 -3.219 1.00 0.00 N ATOM 579 CA LYS A 37 -3.434 -11.624 -4.008 1.00 0.00 C ATOM 580 C LYS A 37 -4.840 -11.150 -3.641 1.00 0.00 C ATOM 581 O LYS A 37 -5.057 -9.981 -3.305 1.00 0.00 O ATOM 582 CB LYS A 37 -3.422 -11.983 -5.482 1.00 0.00 C ATOM 583 CG LYS A 37 -2.003 -11.947 -6.019 1.00 0.00 C ATOM 584 CD LYS A 37 -1.992 -12.501 -7.440 1.00 0.00 C ATOM 585 CE LYS A 37 -3.182 -11.942 -8.215 1.00 0.00 C ATOM 586 NZ LYS A 37 -4.233 -12.990 -8.343 1.00 0.00 N ATOM 0 H LYS A 37 -2.696 -13.574 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.713 -10.833 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.848 -12.976 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.047 -11.285 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.624 -10.925 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.345 -12.536 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.061 -12.232 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.039 -13.590 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.585 -11.069 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.862 -11.611 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.171 -12.542 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.093 -13.515 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.169 -13.646 -7.538 1.00 0.00 H new ATOM 600 N ALA A 38 -5.787 -12.073 -3.721 1.00 0.00 N ATOM 601 CA ALA A 38 -7.179 -11.767 -3.412 1.00 0.00 C ATOM 602 C ALA A 38 -7.312 -11.256 -1.974 1.00 0.00 C ATOM 603 O ALA A 38 -8.153 -10.409 -1.682 1.00 0.00 O ATOM 604 CB ALA A 38 -8.029 -13.019 -3.592 1.00 0.00 C ATOM 0 H ALA A 38 -5.619 -13.040 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.525 -10.988 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.069 -12.789 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.954 -13.364 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.672 -13.800 -2.921 1.00 0.00 H new ATOM 610 N GLU A 39 -6.490 -11.784 -1.082 1.00 0.00 N ATOM 611 CA GLU A 39 -6.524 -11.354 0.310 1.00 0.00 C ATOM 612 C GLU A 39 -5.921 -9.955 0.423 1.00 0.00 C ATOM 613 O GLU A 39 -6.362 -9.133 1.223 1.00 0.00 O ATOM 614 CB GLU A 39 -5.723 -12.318 1.180 1.00 0.00 C ATOM 615 CG GLU A 39 -6.140 -13.752 0.881 1.00 0.00 C ATOM 616 CD GLU A 39 -7.660 -13.881 0.971 1.00 0.00 C ATOM 617 OE1 GLU A 39 -8.194 -13.614 2.035 1.00 0.00 O ATOM 618 OE2 GLU A 39 -8.266 -14.240 -0.025 1.00 0.00 O ATOM 0 H GLU A 39 -5.798 -12.503 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.559 -11.342 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.657 -12.193 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.888 -12.094 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.800 -14.039 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.666 -14.433 1.588 1.00 0.00 H new ATOM 625 N TYR A 40 -4.901 -9.708 -0.384 1.00 0.00 N ATOM 626 CA TYR A 40 -4.224 -8.428 -0.399 1.00 0.00 C ATOM 627 C TYR A 40 -5.197 -7.321 -0.809 1.00 0.00 C ATOM 628 O TYR A 40 -5.850 -6.726 0.047 1.00 0.00 O ATOM 629 CB TYR A 40 -3.051 -8.504 -1.375 1.00 0.00 C ATOM 630 CG TYR A 40 -2.378 -7.158 -1.498 1.00 0.00 C ATOM 631 CD1 TYR A 40 -1.696 -6.609 -0.408 1.00 0.00 C ATOM 632 CD2 TYR A 40 -2.422 -6.469 -2.716 1.00 0.00 C ATOM 633 CE1 TYR A 40 -1.055 -5.371 -0.537 1.00 0.00 C ATOM 634 CE2 TYR A 40 -1.781 -5.234 -2.846 1.00 0.00 C ATOM 635 CZ TYR A 40 -1.097 -4.684 -1.755 1.00 0.00 C ATOM 636 OH TYR A 40 -0.460 -3.468 -1.880 1.00 0.00 O ATOM 0 H TYR A 40 -4.523 -10.388 -1.043 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.851 -8.194 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.331 -9.247 -1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.404 -8.831 -2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.664 -7.139 0.532 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.952 -6.893 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.528 -4.946 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.813 -4.704 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 40 0.486 -3.568 -1.643 1.00 0.00 H new ATOM 646 N LYS A 41 -5.309 -7.083 -2.119 1.00 0.00 N ATOM 647 CA LYS A 41 -6.182 -6.037 -2.650 1.00 0.00 C ATOM 648 C LYS A 41 -6.365 -4.892 -1.647 1.00 0.00 C ATOM 649 O LYS A 41 -7.477 -4.408 -1.441 1.00 0.00 O ATOM 650 CB LYS A 41 -7.544 -6.632 -3.003 1.00 0.00 C ATOM 651 CG LYS A 41 -8.181 -7.239 -1.757 1.00 0.00 C ATOM 652 CD LYS A 41 -9.531 -7.843 -2.123 1.00 0.00 C ATOM 653 CE LYS A 41 -10.221 -8.346 -0.858 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.420 -9.148 -1.233 1.00 0.00 N ATOM 0 H LYS A 41 -4.802 -7.605 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.711 -5.630 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.193 -5.859 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.429 -7.395 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.529 -8.005 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.308 -6.474 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.153 -7.097 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.396 -8.664 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.532 -8.954 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.515 -7.504 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.891 -9.491 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.079 -8.554 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.127 -9.959 -1.814 1.00 0.00 H new ATOM 668 N GLU A 42 -5.272 -4.451 -1.039 1.00 0.00 N ATOM 669 CA GLU A 42 -5.353 -3.383 -0.059 1.00 0.00 C ATOM 670 C GLU A 42 -5.708 -2.070 -0.745 1.00 0.00 C ATOM 671 O GLU A 42 -6.821 -1.566 -0.609 1.00 0.00 O ATOM 672 CB GLU A 42 -4.022 -3.238 0.670 1.00 0.00 C ATOM 673 CG GLU A 42 -3.801 -4.444 1.576 1.00 0.00 C ATOM 674 CD GLU A 42 -2.611 -4.184 2.500 1.00 0.00 C ATOM 675 OE1 GLU A 42 -2.651 -3.197 3.215 1.00 0.00 O ATOM 676 OE2 GLU A 42 -1.683 -4.974 2.477 1.00 0.00 O ATOM 0 H GLU A 42 -4.333 -4.812 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.130 -3.630 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.208 -3.158 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.017 -2.321 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.697 -4.636 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.619 -5.334 0.974 1.00 0.00 H new ATOM 683 N LYS A 43 -4.762 -1.527 -1.493 1.00 0.00 N ATOM 684 CA LYS A 43 -4.993 -0.269 -2.180 1.00 0.00 C ATOM 685 C LYS A 43 -3.795 0.060 -3.057 1.00 0.00 C ATOM 686 O LYS A 43 -3.314 1.191 -3.075 1.00 0.00 O ATOM 687 CB LYS A 43 -5.193 0.841 -1.156 1.00 0.00 C ATOM 688 CG LYS A 43 -4.066 0.787 -0.127 1.00 0.00 C ATOM 689 CD LYS A 43 -4.170 1.987 0.809 1.00 0.00 C ATOM 690 CE LYS A 43 -4.093 3.277 -0.001 1.00 0.00 C ATOM 691 NZ LYS A 43 -4.295 4.446 0.901 1.00 0.00 N ATOM 0 H LYS A 43 -3.837 -1.932 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.884 -0.355 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.202 1.812 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.158 0.726 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.126 -0.139 0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.099 0.789 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.108 1.949 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.365 1.959 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.125 3.350 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.852 3.273 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.242 5.325 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.229 4.378 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.555 4.452 1.632 1.00 0.00 H new ATOM 705 N THR A 44 -3.315 -0.934 -3.782 1.00 0.00 N ATOM 706 CA THR A 44 -2.164 -0.732 -4.632 1.00 0.00 C ATOM 707 C THR A 44 -2.343 -1.456 -5.960 1.00 0.00 C ATOM 708 O THR A 44 -2.510 -0.826 -7.003 1.00 0.00 O ATOM 709 CB THR A 44 -0.921 -1.255 -3.923 1.00 0.00 C ATOM 710 OG1 THR A 44 -0.819 -0.641 -2.647 1.00 0.00 O ATOM 711 CG2 THR A 44 0.317 -0.927 -4.749 1.00 0.00 C ATOM 0 H THR A 44 -3.701 -1.878 -3.798 1.00 0.00 H new ATOM 0 HA THR A 44 -2.055 0.334 -4.834 1.00 0.00 H new ATOM 0 HB THR A 44 -0.996 -2.336 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.671 -1.328 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.204 -1.302 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.235 -1.397 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.398 0.153 -4.870 1.00 0.00 H new ATOM 719 N GLY A 45 -2.312 -2.776 -5.924 1.00 0.00 N ATOM 720 CA GLY A 45 -2.441 -3.542 -7.142 1.00 0.00 C ATOM 721 C GLY A 45 -3.803 -4.233 -7.246 1.00 0.00 C ATOM 722 O GLY A 45 -4.264 -4.514 -8.350 1.00 0.00 O ATOM 0 H GLY A 45 -2.200 -3.330 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.302 -2.884 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.651 -4.291 -7.184 1.00 0.00 H new ATOM 726 N LYS A 46 -4.458 -4.476 -6.108 1.00 0.00 N ATOM 727 CA LYS A 46 -5.723 -5.201 -6.112 1.00 0.00 C ATOM 728 C LYS A 46 -5.445 -6.573 -6.695 1.00 0.00 C ATOM 729 O LYS A 46 -5.295 -6.730 -7.905 1.00 0.00 O ATOM 730 CB LYS A 46 -6.778 -4.461 -6.923 1.00 0.00 C ATOM 731 CG LYS A 46 -6.949 -3.052 -6.365 1.00 0.00 C ATOM 732 CD LYS A 46 -7.077 -3.101 -4.842 1.00 0.00 C ATOM 733 CE LYS A 46 -8.457 -2.617 -4.425 1.00 0.00 C ATOM 734 NZ LYS A 46 -8.587 -1.158 -4.700 1.00 0.00 N ATOM 0 H LYS A 46 -4.136 -4.184 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.119 -5.288 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.481 -4.416 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.726 -4.998 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.095 -2.435 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.835 -2.586 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.916 -4.119 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.309 -2.478 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.225 -3.168 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.615 -2.812 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.338 -0.758 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.686 -0.683 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.828 -1.014 -5.701 1.00 0.00 H new ATOM 748 N GLU A 47 -5.408 -7.573 -5.832 1.00 0.00 N ATOM 749 CA GLU A 47 -5.005 -8.889 -6.278 1.00 0.00 C ATOM 750 C GLU A 47 -3.630 -8.665 -6.888 1.00 0.00 C ATOM 751 O GLU A 47 -3.416 -8.813 -8.089 1.00 0.00 O ATOM 752 CB GLU A 47 -5.987 -9.448 -7.301 1.00 0.00 C ATOM 753 CG GLU A 47 -7.323 -9.701 -6.612 1.00 0.00 C ATOM 754 CD GLU A 47 -8.183 -8.433 -6.628 1.00 0.00 C ATOM 755 OE1 GLU A 47 -8.100 -7.692 -7.594 1.00 0.00 O ATOM 756 OE2 GLU A 47 -8.923 -8.231 -5.679 1.00 0.00 O ATOM 0 H GLU A 47 -5.646 -7.501 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.985 -9.620 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.114 -8.746 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.601 -10.374 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.850 -10.512 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.154 -10.020 -5.584 1.00 0.00 H new ATOM 763 N TYR A 48 -2.723 -8.272 -6.005 1.00 0.00 N ATOM 764 CA TYR A 48 -1.371 -7.868 -6.368 1.00 0.00 C ATOM 765 C TYR A 48 -0.739 -8.721 -7.472 1.00 0.00 C ATOM 766 O TYR A 48 -1.108 -9.866 -7.696 1.00 0.00 O ATOM 767 CB TYR A 48 -0.479 -7.909 -5.138 1.00 0.00 C ATOM 768 CG TYR A 48 0.649 -6.947 -5.368 1.00 0.00 C ATOM 769 CD1 TYR A 48 0.471 -5.589 -5.092 1.00 0.00 C ATOM 770 CD2 TYR A 48 1.831 -7.396 -5.957 1.00 0.00 C ATOM 771 CE1 TYR A 48 1.472 -4.676 -5.415 1.00 0.00 C ATOM 772 CE2 TYR A 48 2.834 -6.488 -6.286 1.00 0.00 C ATOM 773 CZ TYR A 48 2.659 -5.124 -6.014 1.00 0.00 C ATOM 774 OH TYR A 48 3.657 -4.223 -6.331 1.00 0.00 O ATOM 0 H TYR A 48 -2.907 -8.224 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.455 -6.856 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.042 -7.634 -4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.097 -8.917 -4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.443 -5.247 -4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.968 -8.448 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.335 -3.626 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.746 -6.834 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 48 4.411 -4.699 -6.738 1.00 0.00 H new ATOM 784 N VAL A 49 0.224 -8.126 -8.162 1.00 0.00 N ATOM 785 CA VAL A 49 0.957 -8.819 -9.208 1.00 0.00 C ATOM 786 C VAL A 49 2.346 -9.200 -8.685 1.00 0.00 C ATOM 787 O VAL A 49 3.283 -8.406 -8.742 1.00 0.00 O ATOM 788 CB VAL A 49 1.093 -7.918 -10.430 1.00 0.00 C ATOM 789 CG1 VAL A 49 1.809 -8.671 -11.546 1.00 0.00 C ATOM 790 CG2 VAL A 49 -0.293 -7.499 -10.908 1.00 0.00 C ATOM 0 H VAL A 49 0.516 -7.160 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 49 0.416 -9.721 -9.494 1.00 0.00 H new ATOM 0 HB VAL A 49 1.671 -7.033 -10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.905 -8.024 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.800 -8.970 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.235 -9.558 -11.813 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.197 -6.855 -11.782 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.870 -8.385 -11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.804 -6.957 -10.112 1.00 0.00 H new ATOM 800 N PRO A 50 2.491 -10.427 -8.159 1.00 0.00 N ATOM 801 CA PRO A 50 3.749 -10.912 -7.599 1.00 0.00 C ATOM 802 C PRO A 50 4.769 -11.319 -8.666 1.00 0.00 C ATOM 803 O PRO A 50 5.796 -10.665 -8.833 1.00 0.00 O ATOM 804 CB PRO A 50 3.333 -12.112 -6.766 1.00 0.00 C ATOM 805 CG PRO A 50 2.046 -12.617 -7.406 1.00 0.00 C ATOM 806 CD PRO A 50 1.417 -11.416 -8.108 1.00 0.00 C ATOM 0 HA PRO A 50 4.254 -10.134 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.104 -12.882 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.171 -11.832 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.253 -13.418 -8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.371 -13.025 -6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.068 -11.677 -9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.555 -11.040 -7.557 1.00 0.00 H new ATOM 814 N GLY A 51 4.488 -12.399 -9.384 1.00 0.00 N ATOM 815 CA GLY A 51 5.401 -12.864 -10.410 1.00 0.00 C ATOM 816 C GLY A 51 4.787 -14.051 -11.134 1.00 0.00 C ATOM 817 O GLY A 51 4.585 -14.024 -12.346 1.00 0.00 O ATOM 0 H GLY A 51 3.644 -12.961 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.610 -12.061 -11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.353 -13.150 -9.962 1.00 0.00 H new ATOM 821 N LEU A 52 4.496 -15.098 -10.383 1.00 0.00 N ATOM 822 CA LEU A 52 3.883 -16.278 -10.963 1.00 0.00 C ATOM 823 C LEU A 52 2.396 -16.006 -11.154 1.00 0.00 C ATOM 824 O LEU A 52 1.939 -15.779 -12.272 1.00 0.00 O ATOM 825 CB LEU A 52 4.086 -17.488 -10.059 1.00 0.00 C ATOM 826 CG LEU A 52 5.575 -17.708 -9.821 1.00 0.00 C ATOM 827 CD1 LEU A 52 5.763 -18.787 -8.761 1.00 0.00 C ATOM 828 CD2 LEU A 52 6.239 -18.156 -11.120 1.00 0.00 C ATOM 0 H LEU A 52 4.672 -15.155 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 52 4.348 -16.497 -11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.575 -17.334 -9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.646 -18.374 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 52 6.030 -16.777 -9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.827 -18.946 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.288 -18.471 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.308 -19.716 -9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.304 -18.313 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.785 -19.087 -11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.103 -17.388 -11.882 1.00 0.00 H new ATOM 840 N GLU A 53 1.644 -16.033 -10.060 1.00 0.00 N ATOM 841 CA GLU A 53 0.226 -15.743 -10.129 1.00 0.00 C ATOM 842 C GLU A 53 -0.432 -16.715 -11.103 1.00 0.00 C ATOM 843 O GLU A 53 -1.250 -16.335 -11.938 1.00 0.00 O ATOM 844 CB GLU A 53 0.043 -14.308 -10.600 1.00 0.00 C ATOM 845 CG GLU A 53 -1.408 -13.878 -10.432 1.00 0.00 C ATOM 846 CD GLU A 53 -1.564 -12.425 -10.880 1.00 0.00 C ATOM 847 OE1 GLU A 53 -0.784 -11.602 -10.431 1.00 0.00 O ATOM 848 OE2 GLU A 53 -2.464 -12.159 -11.656 1.00 0.00 O ATOM 0 H GLU A 53 1.992 -16.251 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.238 -15.858 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.694 -13.645 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.336 -14.221 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.060 -14.523 -11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.711 -13.983 -9.390 1.00 0.00 H new ATOM 855 N HIS A 54 -0.034 -17.970 -10.988 1.00 0.00 N ATOM 856 CA HIS A 54 -0.561 -19.026 -11.844 1.00 0.00 C ATOM 857 C HIS A 54 0.006 -18.881 -13.256 1.00 0.00 C ATOM 858 O HIS A 54 -0.632 -18.322 -14.145 1.00 0.00 O ATOM 859 CB HIS A 54 -2.085 -18.969 -11.888 1.00 0.00 C ATOM 860 CG HIS A 54 -2.606 -20.154 -12.656 1.00 0.00 C ATOM 861 ND1 HIS A 54 -2.799 -20.118 -14.028 1.00 0.00 N ATOM 862 CD2 HIS A 54 -2.979 -21.414 -12.257 1.00 0.00 C ATOM 863 CE1 HIS A 54 -3.268 -21.322 -14.403 1.00 0.00 C ATOM 864 NE2 HIS A 54 -3.396 -22.150 -13.363 1.00 0.00 N ATOM 0 H HIS A 54 0.656 -18.287 -10.307 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.261 -19.990 -11.433 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -2.490 -18.971 -10.876 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.412 -18.043 -12.360 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -2.618 -19.323 -14.642 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.953 -21.778 -11.241 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.511 -21.587 -15.421 1.00 0.00 H new ATOM 872 N HIS A 55 1.213 -19.388 -13.447 1.00 0.00 N ATOM 873 CA HIS A 55 1.856 -19.324 -14.749 1.00 0.00 C ATOM 874 C HIS A 55 2.730 -20.562 -14.942 1.00 0.00 C ATOM 875 O HIS A 55 3.518 -20.919 -14.068 1.00 0.00 O ATOM 876 CB HIS A 55 2.720 -18.072 -14.846 1.00 0.00 C ATOM 877 CG HIS A 55 2.776 -17.609 -16.277 1.00 0.00 C ATOM 878 ND1 HIS A 55 3.301 -18.391 -17.297 1.00 0.00 N ATOM 879 CD2 HIS A 55 2.377 -16.439 -16.874 1.00 0.00 C ATOM 880 CE1 HIS A 55 3.203 -17.688 -18.439 1.00 0.00 C ATOM 881 NE2 HIS A 55 2.648 -16.491 -18.238 1.00 0.00 N ATOM 0 H HIS A 55 1.765 -19.846 -12.721 1.00 0.00 H new ATOM 0 HA HIS A 55 1.091 -19.288 -15.524 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.310 -17.285 -14.214 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.725 -18.282 -14.481 1.00 0.00 H new ATOM 0 HD1 HIS A 55 3.690 -19.329 -17.198 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.921 -15.604 -16.362 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.533 -18.048 -19.402 1.00 0.00 H new ATOM 889 N HIS A 56 2.585 -21.209 -16.085 1.00 0.00 N ATOM 890 CA HIS A 56 3.365 -22.399 -16.372 1.00 0.00 C ATOM 891 C HIS A 56 4.176 -22.192 -17.649 1.00 0.00 C ATOM 892 O HIS A 56 4.176 -21.078 -18.146 1.00 0.00 O ATOM 893 CB HIS A 56 2.432 -23.593 -16.534 1.00 0.00 C ATOM 894 CG HIS A 56 1.633 -23.769 -15.271 1.00 0.00 C ATOM 895 ND1 HIS A 56 0.390 -23.181 -15.095 1.00 0.00 N ATOM 896 CD2 HIS A 56 1.892 -24.454 -14.110 1.00 0.00 C ATOM 897 CE1 HIS A 56 -0.048 -23.520 -13.869 1.00 0.00 C ATOM 898 NE2 HIS A 56 0.829 -24.296 -13.226 1.00 0.00 N ATOM 0 H HIS A 56 1.939 -20.933 -16.825 1.00 0.00 H new ATOM 0 HA HIS A 56 4.051 -22.590 -15.546 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.765 -23.437 -17.382 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.008 -24.494 -16.743 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.785 -25.028 -13.913 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.994 -23.203 -13.455 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.739 -24.688 -12.289 1.00 0.00 H new TER 906 HIS A 56