USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 12 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= 0.31 (180deg=-0.0667) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= -4.08! (180deg=-4.16!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -0.328 (180deg=-1.68!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.787) USER MOD Single : A 34 TYR OH : rot 136:sc= -9.7! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.913 -6.814 9.499 1.00 0.00 N ATOM 2 CA GLY A 1 -14.988 -5.959 8.705 1.00 0.00 C ATOM 3 C GLY A 1 -15.722 -4.977 7.813 1.00 0.00 C ATOM 4 O GLY A 1 -16.130 -3.906 8.263 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.360 -7.467 10.091 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.506 -6.213 10.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.520 -7.360 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.335 -5.410 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.349 -6.594 8.091 1.00 0.00 H new ATOM 10 N SER A 2 -15.892 -5.344 6.546 1.00 0.00 N ATOM 11 CA SER A 2 -16.583 -4.491 5.583 1.00 0.00 C ATOM 12 C SER A 2 -15.762 -3.245 5.267 1.00 0.00 C ATOM 13 O SER A 2 -15.279 -3.077 4.147 1.00 0.00 O ATOM 14 CB SER A 2 -17.961 -4.088 6.116 1.00 0.00 C ATOM 15 OG SER A 2 -18.877 -3.877 5.055 1.00 0.00 O ATOM 0 H SER A 2 -15.560 -6.228 6.161 1.00 0.00 H new ATOM 0 HA SER A 2 -16.711 -5.061 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.340 -4.866 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.873 -3.179 6.711 1.00 0.00 H new ATOM 0 HG SER A 2 -19.749 -3.622 5.422 1.00 0.00 H new ATOM 21 N ARG A 3 -15.610 -2.372 6.258 1.00 0.00 N ATOM 22 CA ARG A 3 -14.849 -1.142 6.080 1.00 0.00 C ATOM 23 C ARG A 3 -13.353 -1.433 5.992 1.00 0.00 C ATOM 24 O ARG A 3 -12.635 -0.806 5.215 1.00 0.00 O ATOM 25 CB ARG A 3 -15.131 -0.171 7.227 1.00 0.00 C ATOM 26 CG ARG A 3 -14.834 -0.747 8.602 1.00 0.00 C ATOM 27 CD ARG A 3 -13.539 -0.191 9.174 1.00 0.00 C ATOM 28 NE ARG A 3 -13.776 0.943 10.066 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.650 2.220 9.705 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.286 2.542 8.469 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.892 3.182 10.587 1.00 0.00 N ATOM 0 H ARG A 3 -16.003 -2.494 7.191 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.163 -0.682 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.534 0.730 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.178 0.130 7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.658 -0.520 9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.766 -1.833 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.016 -0.977 9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.886 0.120 8.358 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.056 0.744 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.100 1.809 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.193 3.523 8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.173 2.943 11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.796 4.160 10.314 1.00 0.00 H new ATOM 45 N VAL A 4 -12.891 -2.392 6.790 1.00 0.00 N ATOM 46 CA VAL A 4 -11.482 -2.766 6.795 1.00 0.00 C ATOM 47 C VAL A 4 -11.115 -3.524 5.523 1.00 0.00 C ATOM 48 O VAL A 4 -10.089 -3.249 4.901 1.00 0.00 O ATOM 49 CB VAL A 4 -11.134 -3.637 8.017 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.631 -3.851 8.111 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.672 -3.006 9.293 1.00 0.00 C ATOM 0 H VAL A 4 -13.471 -2.923 7.440 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.908 -1.841 6.845 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.608 -4.611 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.405 -4.468 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.278 -4.351 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.132 -2.887 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.417 -3.635 10.146 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.230 -2.019 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.756 -2.912 9.223 1.00 0.00 H new ATOM 61 N LYS A 5 -11.963 -4.474 5.137 1.00 0.00 N ATOM 62 CA LYS A 5 -11.724 -5.263 3.933 1.00 0.00 C ATOM 63 C LYS A 5 -11.637 -4.354 2.713 1.00 0.00 C ATOM 64 O LYS A 5 -10.767 -4.521 1.863 1.00 0.00 O ATOM 65 CB LYS A 5 -12.832 -6.303 3.742 1.00 0.00 C ATOM 66 CG LYS A 5 -12.871 -6.913 2.347 1.00 0.00 C ATOM 67 CD LYS A 5 -11.536 -7.533 1.970 1.00 0.00 C ATOM 68 CE LYS A 5 -11.468 -8.997 2.372 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.556 -9.774 1.487 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.818 -4.715 5.638 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.775 -5.787 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.699 -7.100 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.795 -5.837 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.651 -7.673 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.134 -6.144 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.382 -7.442 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.729 -6.984 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.126 -9.075 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.467 -9.431 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.537 -10.767 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.896 -9.721 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.597 -9.376 1.542 1.00 0.00 H new ATOM 83 N ALA A 6 -12.539 -3.380 2.643 1.00 0.00 N ATOM 84 CA ALA A 6 -12.555 -2.433 1.537 1.00 0.00 C ATOM 85 C ALA A 6 -11.209 -1.728 1.429 1.00 0.00 C ATOM 86 O ALA A 6 -10.734 -1.427 0.336 1.00 0.00 O ATOM 87 CB ALA A 6 -13.677 -1.424 1.723 1.00 0.00 C ATOM 0 H ALA A 6 -13.268 -3.227 3.340 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.734 -2.977 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.677 -0.722 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.633 -1.946 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.526 -0.880 2.655 1.00 0.00 H new ATOM 93 N LEU A 7 -10.603 -1.478 2.583 1.00 0.00 N ATOM 94 CA LEU A 7 -9.308 -0.819 2.656 1.00 0.00 C ATOM 95 C LEU A 7 -8.252 -1.611 1.888 1.00 0.00 C ATOM 96 O LEU A 7 -7.399 -1.039 1.210 1.00 0.00 O ATOM 97 CB LEU A 7 -8.892 -0.691 4.122 1.00 0.00 C ATOM 98 CG LEU A 7 -8.252 0.637 4.511 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.994 0.886 3.694 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.241 1.780 4.338 1.00 0.00 C ATOM 0 H LEU A 7 -10.995 -1.726 3.491 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.390 0.170 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.772 -0.846 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.191 -1.493 4.354 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.971 0.586 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.553 1.839 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.278 0.084 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.248 0.914 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.765 2.719 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.557 1.833 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.110 1.608 4.973 1.00 0.00 H new ATOM 112 N GLU A 8 -8.318 -2.929 2.009 1.00 0.00 N ATOM 113 CA GLU A 8 -7.371 -3.814 1.338 1.00 0.00 C ATOM 114 C GLU A 8 -7.545 -3.768 -0.183 1.00 0.00 C ATOM 115 O GLU A 8 -6.586 -3.945 -0.931 1.00 0.00 O ATOM 116 CB GLU A 8 -7.535 -5.252 1.855 1.00 0.00 C ATOM 117 CG GLU A 8 -8.488 -6.112 1.034 1.00 0.00 C ATOM 118 CD GLU A 8 -7.796 -6.810 -0.120 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.789 -7.507 0.127 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.258 -6.657 -1.269 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.020 -3.413 2.568 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.363 -3.467 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.557 -5.732 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.892 -5.216 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.948 -6.858 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.293 -5.487 0.646 1.00 0.00 H new ATOM 127 N GLU A 9 -8.778 -3.547 -0.627 1.00 0.00 N ATOM 128 CA GLU A 9 -9.086 -3.497 -2.055 1.00 0.00 C ATOM 129 C GLU A 9 -8.437 -2.297 -2.742 1.00 0.00 C ATOM 130 O GLU A 9 -8.005 -2.392 -3.890 1.00 0.00 O ATOM 131 CB GLU A 9 -10.601 -3.456 -2.264 1.00 0.00 C ATOM 132 CG GLU A 9 -11.342 -4.584 -1.564 1.00 0.00 C ATOM 133 CD GLU A 9 -12.215 -5.385 -2.510 1.00 0.00 C ATOM 134 OE1 GLU A 9 -13.332 -4.922 -2.824 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -11.782 -6.476 -2.937 1.00 0.00 O ATOM 0 H GLU A 9 -9.583 -3.399 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.675 -4.399 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.984 -2.502 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.813 -3.501 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.620 -5.249 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.961 -4.168 -0.769 1.00 0.00 H new ATOM 142 N LYS A 10 -8.383 -1.165 -2.046 1.00 0.00 N ATOM 143 CA LYS A 10 -7.797 0.049 -2.610 1.00 0.00 C ATOM 144 C LYS A 10 -6.277 -0.061 -2.711 1.00 0.00 C ATOM 145 O LYS A 10 -5.669 0.464 -3.644 1.00 0.00 O ATOM 146 CB LYS A 10 -8.182 1.268 -1.768 1.00 0.00 C ATOM 147 CG LYS A 10 -7.729 1.182 -0.320 1.00 0.00 C ATOM 148 CD LYS A 10 -7.533 2.563 0.285 1.00 0.00 C ATOM 149 CE LYS A 10 -8.758 3.006 1.068 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.014 4.466 0.919 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.736 -1.062 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.194 0.172 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.752 2.161 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.265 1.388 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.468 0.630 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.795 0.622 -0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.663 2.554 0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.326 3.283 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.629 2.448 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.621 2.767 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.927 4.930 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.321 4.875 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.974 4.614 0.547 1.00 0.00 H new ATOM 164 N VAL A 11 -5.670 -0.739 -1.744 1.00 0.00 N ATOM 165 CA VAL A 11 -4.223 -0.912 -1.720 1.00 0.00 C ATOM 166 C VAL A 11 -3.733 -1.714 -2.924 1.00 0.00 C ATOM 167 O VAL A 11 -2.679 -1.421 -3.487 1.00 0.00 O ATOM 168 CB VAL A 11 -3.773 -1.623 -0.426 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.257 -1.757 -0.373 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.293 -0.879 0.796 1.00 0.00 C ATOM 0 H VAL A 11 -6.159 -1.179 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.785 0.086 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.196 -2.628 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.968 -2.261 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.913 -2.339 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.803 -0.767 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.967 -1.393 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.902 0.139 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.382 -0.849 0.768 1.00 0.00 H new ATOM 180 N LYS A 12 -4.497 -2.732 -3.302 1.00 0.00 N ATOM 181 CA LYS A 12 -4.140 -3.585 -4.430 1.00 0.00 C ATOM 182 C LYS A 12 -4.257 -2.839 -5.747 1.00 0.00 C ATOM 183 O LYS A 12 -3.438 -3.020 -6.649 1.00 0.00 O ATOM 184 CB LYS A 12 -5.012 -4.839 -4.457 1.00 0.00 C ATOM 185 CG LYS A 12 -4.229 -6.110 -4.750 1.00 0.00 C ATOM 186 CD LYS A 12 -3.880 -6.853 -3.471 1.00 0.00 C ATOM 187 CE LYS A 12 -4.144 -8.344 -3.601 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.929 -9.089 -4.032 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.371 -2.988 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.100 -3.883 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.515 -4.944 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.789 -4.717 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.815 -6.759 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.315 -5.860 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.830 -6.688 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.465 -6.450 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.490 -8.736 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.945 -8.509 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.212 -9.935 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.343 -8.478 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.382 -9.375 -3.195 1.00 0.00 H new ATOM 202 N ALA A 13 -5.274 -1.994 -5.856 1.00 0.00 N ATOM 203 CA ALA A 13 -5.479 -1.223 -7.071 1.00 0.00 C ATOM 204 C ALA A 13 -4.233 -0.410 -7.375 1.00 0.00 C ATOM 205 O ALA A 13 -3.837 -0.263 -8.530 1.00 0.00 O ATOM 206 CB ALA A 13 -6.691 -0.314 -6.929 1.00 0.00 C ATOM 0 H ALA A 13 -5.964 -1.827 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.666 -1.907 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.829 0.255 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.579 -0.918 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.535 0.373 -6.097 1.00 0.00 H new ATOM 212 N LEU A 14 -3.601 0.088 -6.320 1.00 0.00 N ATOM 213 CA LEU A 14 -2.371 0.856 -6.466 1.00 0.00 C ATOM 214 C LEU A 14 -1.226 -0.059 -6.880 1.00 0.00 C ATOM 215 O LEU A 14 -0.299 0.356 -7.564 1.00 0.00 O ATOM 216 CB LEU A 14 -2.017 1.582 -5.168 1.00 0.00 C ATOM 217 CG LEU A 14 -1.343 2.940 -5.362 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.673 3.872 -4.208 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.164 2.775 -5.508 1.00 0.00 C ATOM 0 H LEU A 14 -3.918 -0.025 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.531 1.604 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.928 1.723 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.358 0.945 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.728 3.385 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.184 4.833 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.752 4.018 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.321 3.434 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.625 3.753 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.567 2.306 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.379 2.148 -6.373 1.00 0.00 H new ATOM 231 N GLU A 15 -1.304 -1.308 -6.439 1.00 0.00 N ATOM 232 CA GLU A 15 -0.286 -2.309 -6.733 1.00 0.00 C ATOM 233 C GLU A 15 -0.048 -2.456 -8.236 1.00 0.00 C ATOM 234 O GLU A 15 1.084 -2.637 -8.681 1.00 0.00 O ATOM 235 CB GLU A 15 -0.716 -3.654 -6.143 1.00 0.00 C ATOM 236 CG GLU A 15 0.438 -4.594 -5.859 1.00 0.00 C ATOM 237 CD GLU A 15 0.165 -5.513 -4.684 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.928 -6.116 -4.643 1.00 0.00 O ATOM 239 OE2 GLU A 15 1.046 -5.632 -3.806 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.074 -1.656 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 15 0.651 -1.981 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.264 -3.476 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.406 -4.139 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.640 -5.194 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.336 -4.010 -5.658 1.00 0.00 H new ATOM 246 N GLU A 16 -1.126 -2.390 -9.006 1.00 0.00 N ATOM 247 CA GLU A 16 -1.053 -2.529 -10.458 1.00 0.00 C ATOM 248 C GLU A 16 -0.300 -1.366 -11.092 1.00 0.00 C ATOM 249 O GLU A 16 0.374 -1.532 -12.107 1.00 0.00 O ATOM 250 CB GLU A 16 -2.459 -2.636 -11.057 1.00 0.00 C ATOM 251 CG GLU A 16 -3.263 -1.347 -10.979 1.00 0.00 C ATOM 252 CD GLU A 16 -3.561 -0.760 -12.345 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.385 -1.346 -13.077 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -2.969 0.287 -12.682 1.00 0.00 O ATOM 0 H GLU A 16 -2.069 -2.240 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.503 -3.445 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.376 -2.938 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.005 -3.425 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.201 -1.540 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.713 -0.616 -10.386 1.00 0.00 H new ATOM 261 N LYS A 17 -0.420 -0.190 -10.490 1.00 0.00 N ATOM 262 CA LYS A 17 0.249 0.999 -10.997 1.00 0.00 C ATOM 263 C LYS A 17 1.759 0.899 -10.791 1.00 0.00 C ATOM 264 O LYS A 17 2.541 1.453 -11.563 1.00 0.00 O ATOM 265 CB LYS A 17 -0.318 2.265 -10.332 1.00 0.00 C ATOM 266 CG LYS A 17 0.228 2.550 -8.941 1.00 0.00 C ATOM 267 CD LYS A 17 0.873 3.924 -8.863 1.00 0.00 C ATOM 268 CE LYS A 17 2.054 4.042 -9.812 1.00 0.00 C ATOM 269 NZ LYS A 17 2.752 5.349 -9.670 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.975 -0.035 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 17 0.061 1.069 -12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.107 3.121 -10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.402 2.172 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.580 2.485 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.960 1.788 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.134 4.688 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.205 4.113 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.757 3.232 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.708 3.925 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.561 5.383 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.093 6.121 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.090 5.457 -8.693 1.00 0.00 H new ATOM 283 N VAL A 18 2.159 0.196 -9.734 1.00 0.00 N ATOM 284 CA VAL A 18 3.574 0.029 -9.411 1.00 0.00 C ATOM 285 C VAL A 18 4.289 -0.832 -10.450 1.00 0.00 C ATOM 286 O VAL A 18 5.378 -0.490 -10.910 1.00 0.00 O ATOM 287 CB VAL A 18 3.754 -0.613 -8.021 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.218 -0.606 -7.612 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.901 0.107 -6.988 1.00 0.00 C ATOM 0 H VAL A 18 1.522 -0.268 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 18 4.015 1.026 -9.411 1.00 0.00 H new ATOM 0 HB VAL A 18 3.423 -1.650 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.323 -1.063 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.802 -1.171 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.581 0.421 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.040 -0.359 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.199 1.154 -6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.851 0.043 -7.274 1.00 0.00 H new ATOM 299 N LYS A 19 3.672 -1.950 -10.815 1.00 0.00 N ATOM 300 CA LYS A 19 4.251 -2.860 -11.798 1.00 0.00 C ATOM 301 C LYS A 19 4.232 -2.249 -13.197 1.00 0.00 C ATOM 302 O LYS A 19 5.008 -2.644 -14.067 1.00 0.00 O ATOM 303 CB LYS A 19 3.493 -4.188 -11.800 1.00 0.00 C ATOM 304 CG LYS A 19 2.043 -4.062 -12.241 1.00 0.00 C ATOM 305 CD LYS A 19 1.541 -5.347 -12.883 1.00 0.00 C ATOM 306 CE LYS A 19 0.555 -6.078 -11.984 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.804 -6.144 -12.589 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.770 -2.249 -10.445 1.00 0.00 H new ATOM 0 HA LYS A 19 5.289 -3.038 -11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.005 -4.888 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.523 -4.615 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.420 -3.817 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.947 -3.239 -12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.063 -5.115 -13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.387 -5.999 -13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.917 -7.088 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.499 -5.573 -11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.446 -6.650 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.161 -5.180 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.756 -6.649 -13.497 1.00 0.00 H new ATOM 321 N ALA A 20 3.333 -1.293 -13.410 1.00 0.00 N ATOM 322 CA ALA A 20 3.204 -0.639 -14.706 1.00 0.00 C ATOM 323 C ALA A 20 4.089 0.603 -14.809 1.00 0.00 C ATOM 324 O ALA A 20 4.257 1.164 -15.891 1.00 0.00 O ATOM 325 CB ALA A 20 1.750 -0.273 -14.959 1.00 0.00 C ATOM 0 H ALA A 20 2.683 -0.954 -12.701 1.00 0.00 H new ATOM 0 HA ALA A 20 3.540 -1.342 -15.468 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.661 0.215 -15.929 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.141 -1.177 -14.951 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.404 0.405 -14.179 1.00 0.00 H new ATOM 331 N LEU A 21 4.651 1.035 -13.681 1.00 0.00 N ATOM 332 CA LEU A 21 5.511 2.215 -13.668 1.00 0.00 C ATOM 333 C LEU A 21 6.866 1.911 -14.305 1.00 0.00 C ATOM 334 O LEU A 21 7.447 2.759 -14.983 1.00 0.00 O ATOM 335 CB LEU A 21 5.698 2.725 -12.233 1.00 0.00 C ATOM 336 CG LEU A 21 6.763 1.998 -11.408 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.125 2.648 -11.605 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.382 1.986 -9.933 1.00 0.00 C ATOM 0 H LEU A 21 4.527 0.589 -12.772 1.00 0.00 H new ATOM 0 HA LEU A 21 5.026 2.994 -14.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.955 3.784 -12.273 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.744 2.648 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 21 6.822 0.966 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.870 2.119 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.401 2.602 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.081 3.689 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.151 1.465 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.294 3.011 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.428 1.474 -9.808 1.00 0.00 H new ATOM 350 N GLY A 22 7.363 0.699 -14.081 1.00 0.00 N ATOM 351 CA GLY A 22 8.644 0.309 -14.640 1.00 0.00 C ATOM 352 C GLY A 22 8.982 -1.143 -14.364 1.00 0.00 C ATOM 353 O GLY A 22 8.089 -1.972 -14.188 1.00 0.00 O ATOM 0 H GLY A 22 6.902 -0.020 -13.523 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.633 0.477 -15.717 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.426 0.945 -14.226 1.00 0.00 H new ATOM 357 N GLY A 23 10.274 -1.451 -14.327 1.00 0.00 N ATOM 358 CA GLY A 23 10.705 -2.812 -14.071 1.00 0.00 C ATOM 359 C GLY A 23 12.204 -2.918 -13.870 1.00 0.00 C ATOM 360 O GLY A 23 12.936 -3.286 -14.790 1.00 0.00 O ATOM 0 H GLY A 23 11.030 -0.782 -14.470 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.195 -3.191 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.408 -3.447 -14.906 1.00 0.00 H new ATOM 364 N GLY A 24 12.663 -2.596 -12.665 1.00 0.00 N ATOM 365 CA GLY A 24 14.081 -2.664 -12.369 1.00 0.00 C ATOM 366 C GLY A 24 14.356 -3.023 -10.922 1.00 0.00 C ATOM 367 O GLY A 24 13.619 -3.802 -10.318 1.00 0.00 O ATOM 0 H GLY A 24 12.077 -2.289 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.549 -3.403 -13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.543 -1.703 -12.595 1.00 0.00 H new ATOM 371 N GLY A 25 15.418 -2.451 -10.364 1.00 0.00 N ATOM 372 CA GLY A 25 15.769 -2.728 -8.983 1.00 0.00 C ATOM 373 C GLY A 25 14.958 -1.902 -8.003 1.00 0.00 C ATOM 374 O GLY A 25 14.658 -2.356 -6.899 1.00 0.00 O ATOM 0 H GLY A 25 16.041 -1.801 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.614 -3.787 -8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.830 -2.526 -8.833 1.00 0.00 H new ATOM 378 N ARG A 26 14.604 -0.686 -8.407 1.00 0.00 N ATOM 379 CA ARG A 26 13.824 0.205 -7.555 1.00 0.00 C ATOM 380 C ARG A 26 12.339 -0.139 -7.626 1.00 0.00 C ATOM 381 O ARG A 26 11.621 -0.014 -6.639 1.00 0.00 O ATOM 382 CB ARG A 26 14.046 1.664 -7.967 1.00 0.00 C ATOM 383 CG ARG A 26 13.018 2.627 -7.393 1.00 0.00 C ATOM 384 CD ARG A 26 13.575 4.036 -7.267 1.00 0.00 C ATOM 385 NE ARG A 26 14.119 4.291 -5.935 1.00 0.00 N ATOM 386 CZ ARG A 26 14.973 5.273 -5.659 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.380 6.098 -6.616 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.422 5.433 -4.421 1.00 0.00 N ATOM 0 H ARG A 26 14.845 -0.295 -9.318 1.00 0.00 H new ATOM 0 HA ARG A 26 14.160 0.072 -6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.040 1.975 -7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.026 1.732 -9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.135 2.641 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.696 2.274 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.356 4.185 -8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.787 4.758 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 26 13.827 3.680 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.038 5.981 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.035 6.849 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.112 4.803 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.077 6.186 -4.209 1.00 0.00 H new ATOM 402 N ILE A 27 11.885 -0.551 -8.802 1.00 0.00 N ATOM 403 CA ILE A 27 10.482 -0.904 -9.008 1.00 0.00 C ATOM 404 C ILE A 27 10.089 -2.169 -8.241 1.00 0.00 C ATOM 405 O ILE A 27 9.025 -2.227 -7.626 1.00 0.00 O ATOM 406 CB ILE A 27 10.160 -1.112 -10.504 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.930 -0.114 -11.378 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.663 -0.979 -10.743 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.858 1.315 -10.883 1.00 0.00 C ATOM 0 H ILE A 27 12.469 -0.650 -9.633 1.00 0.00 H new ATOM 0 HA ILE A 27 9.904 -0.063 -8.626 1.00 0.00 H new ATOM 0 HB ILE A 27 10.475 -2.118 -10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.975 -0.419 -11.427 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.537 -0.157 -12.394 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.449 -1.128 -11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.133 -1.729 -10.157 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.334 0.016 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.426 1.961 -11.552 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.818 1.640 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.278 1.374 -9.879 1.00 0.00 H new ATOM 421 N GLU A 28 10.940 -3.190 -8.315 1.00 0.00 N ATOM 422 CA GLU A 28 10.674 -4.474 -7.662 1.00 0.00 C ATOM 423 C GLU A 28 10.649 -4.368 -6.138 1.00 0.00 C ATOM 424 O GLU A 28 9.752 -4.901 -5.490 1.00 0.00 O ATOM 425 CB GLU A 28 11.723 -5.502 -8.088 1.00 0.00 C ATOM 426 CG GLU A 28 11.642 -5.881 -9.557 1.00 0.00 C ATOM 427 CD GLU A 28 10.649 -6.996 -9.816 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.703 -8.018 -9.100 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 9.816 -6.849 -10.735 1.00 0.00 O ATOM 0 H GLU A 28 11.824 -3.154 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 28 9.682 -4.793 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.716 -5.104 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.606 -6.401 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.359 -5.004 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.628 -6.190 -9.904 1.00 0.00 H new ATOM 436 N GLU A 29 11.641 -3.701 -5.569 1.00 0.00 N ATOM 437 CA GLU A 29 11.730 -3.554 -4.118 1.00 0.00 C ATOM 438 C GLU A 29 10.532 -2.789 -3.550 1.00 0.00 C ATOM 439 O GLU A 29 10.042 -3.098 -2.465 1.00 0.00 O ATOM 440 CB GLU A 29 13.028 -2.838 -3.738 1.00 0.00 C ATOM 441 CG GLU A 29 13.234 -1.522 -4.468 1.00 0.00 C ATOM 442 CD GLU A 29 12.913 -0.319 -3.603 1.00 0.00 C ATOM 443 OE1 GLU A 29 11.959 -0.402 -2.801 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.615 0.706 -3.728 1.00 0.00 O ATOM 0 H GLU A 29 12.397 -3.252 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 29 11.725 -4.555 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.029 -2.652 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.871 -3.496 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.268 -1.456 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.606 -1.503 -5.359 1.00 0.00 H new ATOM 451 N LEU A 30 10.092 -1.777 -4.282 1.00 0.00 N ATOM 452 CA LEU A 30 8.979 -0.934 -3.862 1.00 0.00 C ATOM 453 C LEU A 30 7.696 -1.733 -3.633 1.00 0.00 C ATOM 454 O LEU A 30 7.015 -1.546 -2.625 1.00 0.00 O ATOM 455 CB LEU A 30 8.743 0.140 -4.923 1.00 0.00 C ATOM 456 CG LEU A 30 8.528 1.554 -4.385 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.838 2.128 -3.868 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.945 2.449 -5.468 1.00 0.00 C ATOM 0 H LEU A 30 10.494 -1.516 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 30 9.243 -0.478 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.597 0.153 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.872 -0.142 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 30 7.820 1.508 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.669 3.136 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.220 1.497 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.565 2.163 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.797 3.453 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.631 2.491 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.988 2.045 -5.798 1.00 0.00 H new ATOM 470 N LYS A 31 7.361 -2.615 -4.570 1.00 0.00 N ATOM 471 CA LYS A 31 6.148 -3.423 -4.450 1.00 0.00 C ATOM 472 C LYS A 31 6.238 -4.397 -3.286 1.00 0.00 C ATOM 473 O LYS A 31 5.234 -4.690 -2.645 1.00 0.00 O ATOM 474 CB LYS A 31 5.822 -4.178 -5.741 1.00 0.00 C ATOM 475 CG LYS A 31 7.035 -4.608 -6.551 1.00 0.00 C ATOM 476 CD LYS A 31 6.634 -5.476 -7.734 1.00 0.00 C ATOM 477 CE LYS A 31 7.536 -6.693 -7.867 1.00 0.00 C ATOM 478 NZ LYS A 31 7.705 -7.406 -6.570 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.906 -2.789 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 31 5.335 -2.723 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.238 -5.063 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.191 -3.546 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.567 -3.726 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.725 -5.158 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.600 -5.800 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.679 -4.887 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.116 -7.377 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.512 -6.382 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.739 -8.432 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.590 -7.100 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.903 -7.185 -5.945 1.00 0.00 H new ATOM 492 N LYS A 32 7.437 -4.905 -3.019 1.00 0.00 N ATOM 493 CA LYS A 32 7.631 -5.856 -1.930 1.00 0.00 C ATOM 494 C LYS A 32 7.144 -5.257 -0.616 1.00 0.00 C ATOM 495 O LYS A 32 6.513 -5.937 0.194 1.00 0.00 O ATOM 496 CB LYS A 32 9.107 -6.242 -1.816 1.00 0.00 C ATOM 497 CG LYS A 32 9.563 -7.224 -2.882 1.00 0.00 C ATOM 498 CD LYS A 32 11.011 -6.986 -3.276 1.00 0.00 C ATOM 499 CE LYS A 32 11.734 -8.293 -3.561 1.00 0.00 C ATOM 500 NZ LYS A 32 13.142 -8.068 -3.991 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.284 -4.676 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 32 7.051 -6.753 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.716 -5.340 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.285 -6.677 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.448 -8.243 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.926 -7.130 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.049 -6.348 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.524 -6.453 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.723 -8.916 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.201 -8.841 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.599 -8.984 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.153 -7.495 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.659 -7.568 -3.240 1.00 0.00 H new ATOM 514 N LYS A 33 7.415 -3.972 -0.425 1.00 0.00 N ATOM 515 CA LYS A 33 6.980 -3.270 0.773 1.00 0.00 C ATOM 516 C LYS A 33 5.457 -3.212 0.814 1.00 0.00 C ATOM 517 O LYS A 33 4.845 -3.292 1.880 1.00 0.00 O ATOM 518 CB LYS A 33 7.562 -1.856 0.807 1.00 0.00 C ATOM 519 CG LYS A 33 7.670 -1.276 2.210 1.00 0.00 C ATOM 520 CD LYS A 33 7.139 0.149 2.269 1.00 0.00 C ATOM 521 CE LYS A 33 5.625 0.174 2.403 1.00 0.00 C ATOM 522 NZ LYS A 33 5.195 0.403 3.810 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.935 -3.395 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 33 7.341 -3.812 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.552 -1.868 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.939 -1.201 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.113 -1.902 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.711 -1.291 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.589 0.671 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.435 0.686 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.217 0.959 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.214 -0.770 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.232 0.795 3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.207 -0.499 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.846 1.073 4.267 1.00 0.00 H new ATOM 536 N TYR A 34 4.855 -3.074 -0.365 1.00 0.00 N ATOM 537 CA TYR A 34 3.403 -3.003 -0.493 1.00 0.00 C ATOM 538 C TYR A 34 2.734 -4.232 0.118 1.00 0.00 C ATOM 539 O TYR A 34 1.675 -4.125 0.733 1.00 0.00 O ATOM 540 CB TYR A 34 3.005 -2.859 -1.968 1.00 0.00 C ATOM 541 CG TYR A 34 2.205 -1.611 -2.255 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.911 -1.470 -1.774 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.745 -0.575 -3.003 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.177 -0.329 -2.031 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.017 0.570 -3.265 1.00 0.00 C ATOM 546 CZ TYR A 34 0.734 0.687 -2.777 1.00 0.00 C ATOM 547 OH TYR A 34 0.006 1.827 -3.033 1.00 0.00 O ATOM 0 H TYR A 34 5.356 -3.009 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 34 3.059 -2.125 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.906 -2.852 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.423 -3.731 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.471 -2.265 -1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.751 -0.665 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.829 -0.233 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.451 1.368 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 34 0.574 2.615 -2.901 1.00 0.00 H new ATOM 557 N GLU A 35 3.356 -5.398 -0.049 1.00 0.00 N ATOM 558 CA GLU A 35 2.812 -6.638 0.495 1.00 0.00 C ATOM 559 C GLU A 35 2.629 -6.525 2.004 1.00 0.00 C ATOM 560 O GLU A 35 1.624 -6.975 2.554 1.00 0.00 O ATOM 561 CB GLU A 35 3.734 -7.814 0.166 1.00 0.00 C ATOM 562 CG GLU A 35 4.229 -7.815 -1.272 1.00 0.00 C ATOM 563 CD GLU A 35 4.017 -9.148 -1.962 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.936 -9.343 -2.557 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 4.931 -9.997 -1.908 1.00 0.00 O ATOM 0 H GLU A 35 4.234 -5.509 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 35 1.839 -6.815 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.593 -7.791 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.203 -8.746 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.712 -7.035 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.290 -7.567 -1.287 1.00 0.00 H new ATOM 572 N GLU A 36 3.605 -5.909 2.663 1.00 0.00 N ATOM 573 CA GLU A 36 3.555 -5.720 4.107 1.00 0.00 C ATOM 574 C GLU A 36 2.304 -4.941 4.498 1.00 0.00 C ATOM 575 O GLU A 36 1.687 -5.212 5.525 1.00 0.00 O ATOM 576 CB GLU A 36 4.804 -4.980 4.593 1.00 0.00 C ATOM 577 CG GLU A 36 4.829 -4.748 6.094 1.00 0.00 C ATOM 578 CD GLU A 36 5.824 -3.679 6.502 1.00 0.00 C ATOM 579 OE1 GLU A 36 7.039 -3.966 6.497 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 5.387 -2.555 6.828 1.00 0.00 O ATOM 0 H GLU A 36 4.442 -5.532 2.218 1.00 0.00 H new ATOM 0 HA GLU A 36 3.521 -6.701 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.688 -5.550 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.867 -4.018 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.833 -4.459 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.077 -5.682 6.598 1.00 0.00 H new ATOM 587 N LEU A 37 1.945 -3.971 3.664 1.00 0.00 N ATOM 588 CA LEU A 37 0.774 -3.136 3.900 1.00 0.00 C ATOM 589 C LEU A 37 -0.499 -3.973 3.990 1.00 0.00 C ATOM 590 O LEU A 37 -1.329 -3.771 4.876 1.00 0.00 O ATOM 591 CB LEU A 37 0.652 -2.123 2.759 1.00 0.00 C ATOM 592 CG LEU A 37 0.717 -0.652 3.162 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.657 -0.149 3.577 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.728 -0.435 4.279 1.00 0.00 C ATOM 0 H LEU A 37 2.454 -3.743 2.810 1.00 0.00 H new ATOM 0 HA LEU A 37 0.898 -2.620 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.447 -2.318 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.293 -2.297 2.244 1.00 0.00 H new ATOM 0 HG LEU A 37 1.046 -0.080 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.590 0.901 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.351 -0.256 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.017 -0.731 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.754 0.621 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.439 -1.023 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.716 -0.748 3.941 1.00 0.00 H new ATOM 606 N LYS A 38 -0.645 -4.909 3.063 1.00 0.00 N ATOM 607 CA LYS A 38 -1.814 -5.781 3.022 1.00 0.00 C ATOM 608 C LYS A 38 -1.991 -6.532 4.338 1.00 0.00 C ATOM 609 O LYS A 38 -3.111 -6.715 4.811 1.00 0.00 O ATOM 610 CB LYS A 38 -1.691 -6.777 1.868 1.00 0.00 C ATOM 611 CG LYS A 38 -1.500 -6.117 0.512 1.00 0.00 C ATOM 612 CD LYS A 38 -1.577 -7.132 -0.617 1.00 0.00 C ATOM 613 CE LYS A 38 -0.251 -7.851 -0.810 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.407 -9.097 -1.610 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.035 -5.086 2.324 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.692 -5.155 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.849 -7.442 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.587 -7.398 1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.263 -5.352 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.534 -5.613 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.359 -7.860 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.857 -6.628 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.454 -7.185 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.175 -8.095 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.446 -9.684 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.234 -9.627 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.541 -8.852 -2.612 1.00 0.00 H new ATOM 628 N LYS A 39 -0.881 -6.978 4.912 1.00 0.00 N ATOM 629 CA LYS A 39 -0.903 -7.726 6.168 1.00 0.00 C ATOM 630 C LYS A 39 -1.440 -6.885 7.326 1.00 0.00 C ATOM 631 O LYS A 39 -2.140 -7.397 8.196 1.00 0.00 O ATOM 632 CB LYS A 39 0.503 -8.234 6.501 1.00 0.00 C ATOM 633 CG LYS A 39 0.567 -9.734 6.735 1.00 0.00 C ATOM 634 CD LYS A 39 0.770 -10.063 8.205 1.00 0.00 C ATOM 635 CE LYS A 39 2.224 -9.894 8.617 1.00 0.00 C ATOM 636 NZ LYS A 39 2.365 -9.690 10.085 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.053 -6.835 4.527 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.577 -8.572 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.178 -7.973 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.865 -7.720 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.354 -10.198 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.383 -10.160 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.140 -9.415 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.453 -11.088 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.791 -10.775 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.654 -9.043 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.371 -9.579 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.845 -8.835 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.978 -10.513 10.589 1.00 0.00 H new ATOM 650 N LYS A 40 -1.093 -5.602 7.342 1.00 0.00 N ATOM 651 CA LYS A 40 -1.528 -4.699 8.407 1.00 0.00 C ATOM 652 C LYS A 40 -3.049 -4.578 8.450 1.00 0.00 C ATOM 653 O LYS A 40 -3.650 -4.559 9.525 1.00 0.00 O ATOM 654 CB LYS A 40 -0.899 -3.317 8.215 1.00 0.00 C ATOM 655 CG LYS A 40 -0.256 -2.760 9.474 1.00 0.00 C ATOM 656 CD LYS A 40 0.995 -1.955 9.155 1.00 0.00 C ATOM 657 CE LYS A 40 2.161 -2.358 10.044 1.00 0.00 C ATOM 658 NZ LYS A 40 3.443 -2.412 9.287 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.511 -5.162 6.629 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.197 -5.119 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.147 -3.376 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.666 -2.623 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.972 -2.128 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.001 -3.579 10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.266 -2.102 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.788 -0.893 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.254 -1.648 10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.960 -3.333 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.213 -2.690 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.363 -3.108 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.649 -1.475 8.885 1.00 0.00 H new ATOM 672 N ILE A 41 -3.662 -4.498 7.278 1.00 0.00 N ATOM 673 CA ILE A 41 -5.113 -4.378 7.176 1.00 0.00 C ATOM 674 C ILE A 41 -5.792 -5.641 7.691 1.00 0.00 C ATOM 675 O ILE A 41 -6.861 -5.583 8.298 1.00 0.00 O ATOM 676 CB ILE A 41 -5.551 -4.120 5.721 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.808 -2.912 5.151 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.057 -3.908 5.644 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.124 -2.640 3.696 1.00 0.00 C ATOM 0 H ILE A 41 -3.177 -4.514 6.381 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.415 -3.528 7.788 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.300 -4.996 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.059 -2.030 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.735 -3.072 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.347 -3.727 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.569 -4.796 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.335 -3.048 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.562 -1.769 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.847 -3.506 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.191 -2.448 3.585 1.00 0.00 H new ATOM 691 N GLU A 42 -5.150 -6.778 7.455 1.00 0.00 N ATOM 692 CA GLU A 42 -5.672 -8.061 7.901 1.00 0.00 C ATOM 693 C GLU A 42 -5.774 -8.086 9.420 1.00 0.00 C ATOM 694 O GLU A 42 -6.675 -8.706 9.985 1.00 0.00 O ATOM 695 CB GLU A 42 -4.771 -9.198 7.412 1.00 0.00 C ATOM 696 CG GLU A 42 -5.395 -10.034 6.306 1.00 0.00 C ATOM 697 CD GLU A 42 -4.876 -11.459 6.290 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.515 -11.972 7.369 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -4.830 -12.061 5.196 1.00 0.00 O ATOM 0 H GLU A 42 -4.263 -6.836 6.955 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.668 -8.200 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.832 -8.778 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.529 -9.846 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.478 -10.047 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.192 -9.566 5.343 1.00 0.00 H new ATOM 706 N GLU A 43 -4.840 -7.403 10.074 1.00 0.00 N ATOM 707 CA GLU A 43 -4.817 -7.340 11.530 1.00 0.00 C ATOM 708 C GLU A 43 -5.933 -6.441 12.050 1.00 0.00 C ATOM 709 O GLU A 43 -6.434 -6.632 13.158 1.00 0.00 O ATOM 710 CB GLU A 43 -3.462 -6.824 12.017 1.00 0.00 C ATOM 711 CG GLU A 43 -2.277 -7.548 11.399 1.00 0.00 C ATOM 712 CD GLU A 43 -1.632 -8.532 12.355 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.670 -8.285 13.578 1.00 0.00 O ATOM 714 OE2 GLU A 43 -1.091 -9.553 11.879 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.089 -6.885 9.618 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.974 -8.347 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.385 -5.760 11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.413 -6.924 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.606 -8.078 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.534 -6.816 11.081 1.00 0.00 H new ATOM 721 N LEU A 44 -6.320 -5.461 11.241 1.00 0.00 N ATOM 722 CA LEU A 44 -7.377 -4.531 11.613 1.00 0.00 C ATOM 723 C LEU A 44 -8.710 -5.258 11.768 1.00 0.00 C ATOM 724 O LEU A 44 -9.270 -5.762 10.795 1.00 0.00 O ATOM 725 CB LEU A 44 -7.498 -3.424 10.564 1.00 0.00 C ATOM 726 CG LEU A 44 -6.983 -2.054 11.010 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.781 -1.144 9.809 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.946 -1.424 12.004 1.00 0.00 C ATOM 0 H LEU A 44 -5.915 -5.291 10.320 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.118 -4.084 12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.951 -3.728 9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.546 -3.327 10.279 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.020 -2.189 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.415 -0.174 10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.054 -1.592 9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.730 -1.013 9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.566 -0.450 12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.923 -1.301 11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.041 -2.069 12.878 1.00 0.00 H new ATOM 740 N GLY A 45 -9.212 -5.306 12.998 1.00 0.00 N ATOM 741 CA GLY A 45 -10.474 -5.974 13.258 1.00 0.00 C ATOM 742 C GLY A 45 -11.596 -4.999 13.559 1.00 0.00 C ATOM 743 O GLY A 45 -12.674 -5.082 12.971 1.00 0.00 O ATOM 0 H GLY A 45 -8.768 -4.894 13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.746 -6.580 12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.354 -6.656 14.100 1.00 0.00 H new ATOM 747 N GLY A 46 -11.342 -4.071 14.477 1.00 0.00 N ATOM 748 CA GLY A 46 -12.348 -3.091 14.838 1.00 0.00 C ATOM 749 C GLY A 46 -12.583 -2.069 13.742 1.00 0.00 C ATOM 750 O GLY A 46 -12.816 -2.429 12.589 1.00 0.00 O ATOM 0 H GLY A 46 -10.457 -3.981 14.977 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.285 -3.602 15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.040 -2.578 15.749 1.00 0.00 H new ATOM 754 N GLY A 47 -12.518 -0.792 14.105 1.00 0.00 N ATOM 755 CA GLY A 47 -12.728 0.266 13.133 1.00 0.00 C ATOM 756 C GLY A 47 -12.168 1.597 13.595 1.00 0.00 C ATOM 757 O GLY A 47 -12.915 2.476 14.024 1.00 0.00 O ATOM 0 H GLY A 47 -12.324 -0.471 15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.260 -0.014 12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.796 0.372 12.940 1.00 0.00 H new ATOM 761 N GLY A 48 -10.851 1.745 13.506 1.00 0.00 N ATOM 762 CA GLY A 48 -10.215 2.982 13.923 1.00 0.00 C ATOM 763 C GLY A 48 -8.864 3.190 13.264 1.00 0.00 C ATOM 764 O GLY A 48 -8.590 4.260 12.720 1.00 0.00 O ATOM 0 H GLY A 48 -10.213 1.032 13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.867 3.822 13.682 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.091 2.976 15.006 1.00 0.00 H new ATOM 768 N GLU A 49 -8.021 2.165 13.314 1.00 0.00 N ATOM 769 CA GLU A 49 -6.691 2.239 12.717 1.00 0.00 C ATOM 770 C GLU A 49 -6.763 2.198 11.192 1.00 0.00 C ATOM 771 O GLU A 49 -5.763 2.434 10.511 1.00 0.00 O ATOM 772 CB GLU A 49 -5.817 1.093 13.228 1.00 0.00 C ATOM 773 CG GLU A 49 -4.373 1.173 12.759 1.00 0.00 C ATOM 774 CD GLU A 49 -3.439 0.321 13.596 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.474 0.449 14.839 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.675 -0.474 13.011 1.00 0.00 O ATOM 0 H GLU A 49 -8.234 1.273 13.761 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.246 3.190 13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.837 1.090 14.318 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.245 0.146 12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.315 0.854 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.041 2.211 12.793 1.00 0.00 H new ATOM 783 N VAL A 50 -7.945 1.898 10.656 1.00 0.00 N ATOM 784 CA VAL A 50 -8.133 1.829 9.211 1.00 0.00 C ATOM 785 C VAL A 50 -7.676 3.117 8.532 1.00 0.00 C ATOM 786 O VAL A 50 -7.130 3.088 7.429 1.00 0.00 O ATOM 787 CB VAL A 50 -9.608 1.567 8.847 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.959 0.103 9.068 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.532 2.474 9.649 1.00 0.00 C ATOM 0 H VAL A 50 -8.784 1.699 11.201 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.524 0.998 8.854 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.747 1.796 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.004 -0.064 8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.323 -0.522 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.802 -0.155 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.568 2.272 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.394 2.284 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.297 3.516 9.433 1.00 0.00 H new ATOM 799 N LYS A 51 -7.898 4.244 9.199 1.00 0.00 N ATOM 800 CA LYS A 51 -7.503 5.539 8.660 1.00 0.00 C ATOM 801 C LYS A 51 -5.985 5.674 8.636 1.00 0.00 C ATOM 802 O LYS A 51 -5.418 6.272 7.721 1.00 0.00 O ATOM 803 CB LYS A 51 -8.115 6.670 9.491 1.00 0.00 C ATOM 804 CG LYS A 51 -9.568 6.959 9.148 1.00 0.00 C ATOM 805 CD LYS A 51 -10.516 6.114 9.985 1.00 0.00 C ATOM 806 CE LYS A 51 -11.886 5.998 9.335 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.935 6.704 10.121 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.349 4.287 10.113 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.874 5.609 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.044 6.413 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.528 7.577 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.779 8.016 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.740 6.761 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.092 5.119 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.619 6.556 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.846 6.413 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.153 4.946 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.854 6.601 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.991 6.292 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.694 7.713 10.194 1.00 0.00 H new ATOM 821 N LYS A 52 -5.332 5.110 9.647 1.00 0.00 N ATOM 822 CA LYS A 52 -3.878 5.162 9.744 1.00 0.00 C ATOM 823 C LYS A 52 -3.231 4.331 8.641 1.00 0.00 C ATOM 824 O LYS A 52 -2.163 4.677 8.137 1.00 0.00 O ATOM 825 CB LYS A 52 -3.420 4.663 11.117 1.00 0.00 C ATOM 826 CG LYS A 52 -2.542 5.656 11.861 1.00 0.00 C ATOM 827 CD LYS A 52 -1.688 4.965 12.912 1.00 0.00 C ATOM 828 CE LYS A 52 -0.310 4.619 12.371 1.00 0.00 C ATOM 829 NZ LYS A 52 0.730 4.656 13.434 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.787 4.611 10.411 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.565 6.199 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.297 4.439 11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.872 3.729 10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.898 6.177 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.167 6.411 12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.586 5.613 13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.187 4.056 13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.335 3.626 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.045 5.320 11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.655 4.414 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.772 5.610 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.491 3.969 14.178 1.00 0.00 H new ATOM 843 N VAL A 53 -3.885 3.235 8.272 1.00 0.00 N ATOM 844 CA VAL A 53 -3.377 2.350 7.228 1.00 0.00 C ATOM 845 C VAL A 53 -3.348 3.054 5.876 1.00 0.00 C ATOM 846 O VAL A 53 -2.418 2.866 5.096 1.00 0.00 O ATOM 847 CB VAL A 53 -4.230 1.071 7.114 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.663 0.133 6.057 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.325 0.373 8.462 1.00 0.00 C ATOM 0 H VAL A 53 -4.771 2.937 8.681 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.361 2.076 7.511 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.235 1.357 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.282 -0.762 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.655 0.636 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.645 -0.148 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.931 -0.528 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.326 0.103 8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.787 1.043 9.187 1.00 0.00 H new ATOM 859 N GLU A 54 -4.368 3.859 5.601 1.00 0.00 N ATOM 860 CA GLU A 54 -4.448 4.585 4.336 1.00 0.00 C ATOM 861 C GLU A 54 -3.242 5.502 4.159 1.00 0.00 C ATOM 862 O GLU A 54 -2.767 5.711 3.045 1.00 0.00 O ATOM 863 CB GLU A 54 -5.740 5.402 4.274 1.00 0.00 C ATOM 864 CG GLU A 54 -6.968 4.573 3.934 1.00 0.00 C ATOM 865 CD GLU A 54 -8.260 5.238 4.369 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.803 6.045 3.585 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.726 4.953 5.492 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.150 4.026 6.234 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.449 3.856 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.897 5.892 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.626 6.190 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.998 4.399 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.887 3.597 4.413 1.00 0.00 H new ATOM 874 N GLU A 55 -2.753 6.045 5.268 1.00 0.00 N ATOM 875 CA GLU A 55 -1.599 6.938 5.246 1.00 0.00 C ATOM 876 C GLU A 55 -0.322 6.172 4.912 1.00 0.00 C ATOM 877 O GLU A 55 0.567 6.686 4.233 1.00 0.00 O ATOM 878 CB GLU A 55 -1.448 7.641 6.596 1.00 0.00 C ATOM 879 CG GLU A 55 -0.996 9.089 6.482 1.00 0.00 C ATOM 880 CD GLU A 55 -2.125 10.072 6.722 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.018 10.175 5.854 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.117 10.739 7.778 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.139 5.882 6.198 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.764 7.686 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.402 7.607 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.729 7.092 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.198 9.275 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.577 9.258 5.490 1.00 0.00 H new ATOM 889 N GLU A 56 -0.237 4.945 5.412 1.00 0.00 N ATOM 890 CA GLU A 56 0.928 4.094 5.197 1.00 0.00 C ATOM 891 C GLU A 56 1.188 3.855 3.710 1.00 0.00 C ATOM 892 O GLU A 56 2.323 3.957 3.245 1.00 0.00 O ATOM 893 CB GLU A 56 0.712 2.757 5.909 1.00 0.00 C ATOM 894 CG GLU A 56 1.528 2.601 7.177 1.00 0.00 C ATOM 895 CD GLU A 56 3.013 2.459 6.903 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.439 1.358 6.495 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.750 3.448 7.099 1.00 0.00 O ATOM 0 H GLU A 56 -0.970 4.513 5.975 1.00 0.00 H new ATOM 0 HA GLU A 56 1.802 4.601 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.345 2.652 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.963 1.947 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.362 3.466 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.178 1.726 7.724 1.00 0.00 H new ATOM 904 N VAL A 57 0.133 3.536 2.973 1.00 0.00 N ATOM 905 CA VAL A 57 0.243 3.279 1.542 1.00 0.00 C ATOM 906 C VAL A 57 0.603 4.549 0.775 1.00 0.00 C ATOM 907 O VAL A 57 1.330 4.501 -0.216 1.00 0.00 O ATOM 908 CB VAL A 57 -1.055 2.664 0.972 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.121 3.726 0.736 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.757 1.907 -0.313 1.00 0.00 C ATOM 0 H VAL A 57 -0.813 3.448 3.344 1.00 0.00 H new ATOM 0 HA VAL A 57 1.048 2.556 1.411 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.448 1.965 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.019 3.257 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.359 4.219 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.749 4.464 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.679 1.478 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.334 2.591 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.044 1.108 -0.108 1.00 0.00 H new ATOM 920 N LYS A 58 0.083 5.682 1.236 1.00 0.00 N ATOM 921 CA LYS A 58 0.340 6.969 0.594 1.00 0.00 C ATOM 922 C LYS A 58 1.839 7.228 0.461 1.00 0.00 C ATOM 923 O LYS A 58 2.285 7.857 -0.494 1.00 0.00 O ATOM 924 CB LYS A 58 -0.316 8.099 1.391 1.00 0.00 C ATOM 925 CG LYS A 58 -1.724 8.433 0.926 1.00 0.00 C ATOM 926 CD LYS A 58 -1.742 8.857 -0.535 1.00 0.00 C ATOM 927 CE LYS A 58 -3.055 9.528 -0.904 1.00 0.00 C ATOM 928 NZ LYS A 58 -2.867 10.596 -1.923 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.522 5.736 2.056 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.092 6.938 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.347 7.819 2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.304 8.992 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.369 7.565 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.132 9.233 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.916 9.542 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.587 7.985 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.750 8.780 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.508 9.956 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.786 11.028 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.224 11.323 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.459 10.184 -2.786 1.00 0.00 H new ATOM 942 N LYS A 59 2.608 6.749 1.430 1.00 0.00 N ATOM 943 CA LYS A 59 4.055 6.931 1.420 1.00 0.00 C ATOM 944 C LYS A 59 4.702 6.171 0.261 1.00 0.00 C ATOM 945 O LYS A 59 5.667 6.638 -0.341 1.00 0.00 O ATOM 946 CB LYS A 59 4.656 6.461 2.745 1.00 0.00 C ATOM 947 CG LYS A 59 3.978 7.058 3.967 1.00 0.00 C ATOM 948 CD LYS A 59 4.382 6.331 5.240 1.00 0.00 C ATOM 949 CE LYS A 59 5.865 6.495 5.532 1.00 0.00 C ATOM 950 NZ LYS A 59 6.108 7.439 6.658 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.254 6.231 2.234 1.00 0.00 H new ATOM 0 HA LYS A 59 4.256 7.994 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.591 5.374 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.715 6.718 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.240 8.113 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.896 7.007 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.801 6.715 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.144 5.271 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.297 5.524 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.373 6.857 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.131 7.523 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.718 8.373 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.645 7.081 7.517 1.00 0.00 H new ATOM 964 N LEU A 60 4.178 4.985 -0.027 1.00 0.00 N ATOM 965 CA LEU A 60 4.715 4.142 -1.095 1.00 0.00 C ATOM 966 C LEU A 60 4.592 4.795 -2.474 1.00 0.00 C ATOM 967 O LEU A 60 5.533 4.762 -3.268 1.00 0.00 O ATOM 968 CB LEU A 60 3.998 2.790 -1.101 1.00 0.00 C ATOM 969 CG LEU A 60 4.865 1.597 -1.505 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.319 1.733 -2.951 1.00 0.00 C ATOM 971 CD2 LEU A 60 6.064 1.467 -0.574 1.00 0.00 C ATOM 0 H LEU A 60 3.380 4.583 0.464 1.00 0.00 H new ATOM 0 HA LEU A 60 5.777 4.004 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.595 2.606 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.149 2.850 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 60 4.266 0.691 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.935 0.875 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.447 1.774 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.901 2.648 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.669 0.613 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.665 2.375 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.716 1.321 0.449 1.00 0.00 H new ATOM 983 N GLU A 61 3.428 5.368 -2.765 1.00 0.00 N ATOM 984 CA GLU A 61 3.190 6.000 -4.063 1.00 0.00 C ATOM 985 C GLU A 61 4.044 7.251 -4.261 1.00 0.00 C ATOM 986 O GLU A 61 4.460 7.554 -5.379 1.00 0.00 O ATOM 987 CB GLU A 61 1.706 6.346 -4.233 1.00 0.00 C ATOM 988 CG GLU A 61 1.142 7.216 -3.122 1.00 0.00 C ATOM 989 CD GLU A 61 1.560 8.668 -3.247 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.994 9.069 -4.347 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.451 9.406 -2.246 1.00 0.00 O1- ATOM 0 H GLU A 61 2.636 5.409 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 61 3.480 5.277 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.570 6.858 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.131 5.421 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.054 7.153 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.473 6.828 -2.159 1.00 0.00 H new ATOM 998 N GLU A 62 4.301 7.980 -3.180 1.00 0.00 N ATOM 999 CA GLU A 62 5.101 9.198 -3.260 1.00 0.00 C ATOM 1000 C GLU A 62 6.503 8.888 -3.774 1.00 0.00 C ATOM 1001 O GLU A 62 7.083 9.667 -4.530 1.00 0.00 O ATOM 1002 CB GLU A 62 5.158 9.912 -1.901 1.00 0.00 C ATOM 1003 CG GLU A 62 6.042 9.234 -0.864 1.00 0.00 C ATOM 1004 CD GLU A 62 7.055 10.183 -0.250 1.00 0.00 C ATOM 1005 OE1 GLU A 62 6.766 11.396 -0.182 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 8.136 9.712 0.160 1.00 0.00 O ATOM 0 H GLU A 62 3.969 7.751 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 62 4.621 9.872 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.517 10.930 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.146 9.988 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.416 8.817 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.567 8.400 -1.329 1.00 0.00 H new ATOM 1013 N GLU A 63 7.036 7.740 -3.372 1.00 0.00 N ATOM 1014 CA GLU A 63 8.361 7.322 -3.807 1.00 0.00 C ATOM 1015 C GLU A 63 8.354 7.037 -5.302 1.00 0.00 C ATOM 1016 O GLU A 63 9.348 7.258 -5.995 1.00 0.00 O ATOM 1017 CB GLU A 63 8.811 6.075 -3.041 1.00 0.00 C ATOM 1018 CG GLU A 63 8.584 6.164 -1.541 1.00 0.00 C ATOM 1019 CD GLU A 63 9.710 6.881 -0.822 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.873 6.741 -1.253 1.00 0.00 O ATOM 1021 OE2 GLU A 63 9.427 7.583 0.172 1.00 0.00 O1- ATOM 0 H GLU A 63 6.570 7.083 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 63 9.063 8.130 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.276 5.208 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.871 5.907 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.646 6.685 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.479 5.159 -1.133 1.00 0.00 H new ATOM 1028 N ILE A 64 7.219 6.549 -5.792 1.00 0.00 N ATOM 1029 CA ILE A 64 7.068 6.233 -7.208 1.00 0.00 C ATOM 1030 C ILE A 64 7.236 7.484 -8.065 1.00 0.00 C ATOM 1031 O ILE A 64 7.733 7.418 -9.189 1.00 0.00 O ATOM 1032 CB ILE A 64 5.694 5.600 -7.505 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.448 4.401 -6.588 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.605 5.181 -8.965 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.089 3.761 -6.781 1.00 0.00 C ATOM 0 H ILE A 64 6.389 6.364 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 64 7.847 5.513 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 64 4.922 6.345 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.221 3.653 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.546 4.721 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.629 4.736 -9.157 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.737 6.055 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.385 4.451 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.984 2.918 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.309 4.494 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.995 3.410 -7.809 1.00 0.00 H new ATOM 1047 N LYS A 65 6.815 8.624 -7.528 1.00 0.00 N ATOM 1048 CA LYS A 65 6.919 9.891 -8.244 1.00 0.00 C ATOM 1049 C LYS A 65 8.369 10.358 -8.317 1.00 0.00 C ATOM 1050 O LYS A 65 8.771 11.022 -9.271 1.00 0.00 O ATOM 1051 CB LYS A 65 6.060 10.958 -7.564 1.00 0.00 C ATOM 1052 CG LYS A 65 4.607 10.547 -7.388 1.00 0.00 C ATOM 1053 CD LYS A 65 3.977 10.146 -8.713 1.00 0.00 C ATOM 1054 CE LYS A 65 2.462 10.282 -8.676 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.782 9.048 -9.155 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.399 8.697 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 65 6.555 9.736 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.485 11.187 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.101 11.875 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.546 9.714 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.045 11.372 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.380 10.769 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.245 9.116 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.142 10.501 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.158 11.127 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.751 9.181 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.067 8.853 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.051 8.246 -8.550 1.00 0.00 H new ATOM 1069 N LYS A 66 9.151 10.004 -7.301 1.00 0.00 N ATOM 1070 CA LYS A 66 10.558 10.387 -7.250 1.00 0.00 C ATOM 1071 C LYS A 66 11.372 9.614 -8.284 1.00 0.00 C ATOM 1072 O LYS A 66 12.410 10.085 -8.747 1.00 0.00 O ATOM 1073 CB LYS A 66 11.125 10.139 -5.850 1.00 0.00 C ATOM 1074 CG LYS A 66 10.359 10.851 -4.748 1.00 0.00 C ATOM 1075 CD LYS A 66 11.118 10.819 -3.432 1.00 0.00 C ATOM 1076 CE LYS A 66 10.668 11.934 -2.502 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.752 12.355 -1.572 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.834 9.453 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 66 10.627 11.450 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.121 9.068 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.165 10.463 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.178 11.886 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.384 10.381 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.966 9.855 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.187 10.914 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.344 12.791 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.805 11.600 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.404 13.117 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.044 11.544 -0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.566 12.698 -2.121 1.00 0.00 H new ATOM 1091 N LEU A 67 10.896 8.425 -8.640 1.00 0.00 N ATOM 1092 CA LEU A 67 11.583 7.590 -9.617 1.00 0.00 C ATOM 1093 C LEU A 67 10.946 7.729 -10.996 1.00 0.00 C ATOM 1094 O LEU A 67 9.699 7.768 -11.070 1.00 0.00 O ATOM 1095 CB LEU A 67 11.571 6.125 -9.163 1.00 0.00 C ATOM 1096 CG LEU A 67 10.274 5.357 -9.442 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.248 4.846 -10.876 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.115 4.203 -8.461 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.697 7.796 -11.992 1.00 0.00 O ATOM 0 H LEU A 67 10.038 8.019 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 67 12.618 7.926 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.393 5.604 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.768 6.094 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 67 9.436 6.042 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.319 4.304 -11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.312 5.689 -11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.094 4.179 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.189 3.669 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.959 3.520 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.083 4.592 -7.443 1.00 0.00 H new TER 1111 LEU A 67