USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=10 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 Single : A 1 GLY N :NH3+ -171:sc= -0.0179 (180deg=-0.129) 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+ -159:sc= 0 (180deg=-0.255) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 137:sc= -0.315 (180deg=-1.54!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= 0.152 (180deg=-0.736) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 143:sc= -10.9! USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -1.68 (180deg=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0.0326 (180deg=0.0325) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= -0.892 (180deg=-0.976) 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+ -169:sc= 0 (180deg=-0.0255) 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 -15.714 -7.253 7.608 1.00 0.00 N ATOM 2 CA GLY A 1 -15.510 -5.956 8.309 1.00 0.00 C ATOM 3 C GLY A 1 -16.137 -4.791 7.569 1.00 0.00 C ATOM 4 O GLY A 1 -16.585 -3.824 8.185 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.404 -8.032 8.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.722 -7.371 7.382 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.159 -7.264 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.935 -6.017 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.442 -5.775 8.427 1.00 0.00 H new ATOM 10 N SER A 2 -16.169 -4.887 6.243 1.00 0.00 N ATOM 11 CA SER A 2 -16.744 -3.837 5.403 1.00 0.00 C ATOM 12 C SER A 2 -15.782 -2.660 5.268 1.00 0.00 C ATOM 13 O SER A 2 -15.251 -2.404 4.187 1.00 0.00 O ATOM 14 CB SER A 2 -18.084 -3.358 5.972 1.00 0.00 C ATOM 15 OG SER A 2 -19.031 -3.147 4.939 1.00 0.00 O ATOM 0 H SER A 2 -15.802 -5.684 5.724 1.00 0.00 H new ATOM 0 HA SER A 2 -16.916 -4.259 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.468 -4.096 6.676 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.936 -2.433 6.529 1.00 0.00 H new ATOM 0 HG SER A 2 -19.878 -2.844 5.328 1.00 0.00 H new ATOM 21 N ARG A 3 -15.561 -1.946 6.368 1.00 0.00 N ATOM 22 CA ARG A 3 -14.662 -0.797 6.359 1.00 0.00 C ATOM 23 C ARG A 3 -13.210 -1.235 6.183 1.00 0.00 C ATOM 24 O ARG A 3 -12.452 -0.622 5.433 1.00 0.00 O ATOM 25 CB ARG A 3 -14.819 0.026 7.646 1.00 0.00 C ATOM 26 CG ARG A 3 -14.167 -0.597 8.875 1.00 0.00 C ATOM 27 CD ARG A 3 -14.979 -1.767 9.401 1.00 0.00 C ATOM 28 NE ARG A 3 -14.564 -2.163 10.746 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.981 -1.562 11.858 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.814 -0.530 11.793 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.561 -1.991 13.040 1.00 0.00 N ATOM 0 H ARG A 3 -15.990 -2.142 7.273 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.933 -0.170 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.391 1.015 7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.881 0.167 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.161 -0.934 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.065 0.157 9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.035 -1.499 9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.872 -2.615 8.725 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.917 -2.946 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.139 -0.193 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.129 -0.074 12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.919 -2.781 13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.880 -1.531 13.892 1.00 0.00 H new ATOM 45 N VAL A 4 -12.830 -2.296 6.886 1.00 0.00 N ATOM 46 CA VAL A 4 -11.471 -2.815 6.816 1.00 0.00 C ATOM 47 C VAL A 4 -11.209 -3.506 5.483 1.00 0.00 C ATOM 48 O VAL A 4 -10.171 -3.295 4.858 1.00 0.00 O ATOM 49 CB VAL A 4 -11.188 -3.805 7.959 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.713 -4.160 8.000 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.639 -3.229 9.294 1.00 0.00 C ATOM 0 H VAL A 4 -13.446 -2.814 7.512 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.804 -1.959 6.913 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.757 -4.716 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.530 -4.861 8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.423 -4.618 7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.126 -3.256 8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.430 -3.945 10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.101 -2.302 9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.710 -3.027 9.260 1.00 0.00 H new ATOM 61 N LYS A 5 -12.156 -4.335 5.051 1.00 0.00 N ATOM 62 CA LYS A 5 -12.018 -5.054 3.791 1.00 0.00 C ATOM 63 C LYS A 5 -11.869 -4.077 2.631 1.00 0.00 C ATOM 64 O LYS A 5 -11.012 -4.251 1.770 1.00 0.00 O ATOM 65 CB LYS A 5 -13.223 -5.971 3.559 1.00 0.00 C ATOM 66 CG LYS A 5 -13.329 -6.494 2.133 1.00 0.00 C ATOM 67 CD LYS A 5 -12.065 -7.227 1.713 1.00 0.00 C ATOM 68 CE LYS A 5 -12.279 -8.732 1.669 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.735 -9.405 2.880 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.023 -4.524 5.554 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.119 -5.669 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.161 -6.817 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.135 -5.427 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.184 -7.166 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.512 -5.663 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.749 -6.875 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.260 -6.994 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.345 -8.945 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.799 -9.141 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.901 -10.429 2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.713 -9.223 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.210 -9.033 3.727 1.00 0.00 H new ATOM 83 N ALA A 6 -12.703 -3.043 2.622 1.00 0.00 N ATOM 84 CA ALA A 6 -12.651 -2.036 1.571 1.00 0.00 C ATOM 85 C ALA A 6 -11.261 -1.419 1.501 1.00 0.00 C ATOM 86 O ALA A 6 -10.764 -1.095 0.424 1.00 0.00 O ATOM 87 CB ALA A 6 -13.701 -0.965 1.813 1.00 0.00 C ATOM 0 H ALA A 6 -13.421 -2.881 3.329 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.864 -2.515 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.650 -0.219 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.691 -1.421 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.516 -0.485 2.774 1.00 0.00 H new ATOM 93 N LEU A 7 -10.641 -1.271 2.665 1.00 0.00 N ATOM 94 CA LEU A 7 -9.302 -0.706 2.767 1.00 0.00 C ATOM 95 C LEU A 7 -8.300 -1.528 1.961 1.00 0.00 C ATOM 96 O LEU A 7 -7.410 -0.983 1.309 1.00 0.00 O ATOM 97 CB LEU A 7 -8.878 -0.670 4.237 1.00 0.00 C ATOM 98 CG LEU A 7 -8.125 0.583 4.671 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.852 0.753 3.857 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.014 1.812 4.542 1.00 0.00 C ATOM 0 H LEU A 7 -11.050 -1.538 3.561 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.318 0.305 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.769 -0.771 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.250 -1.538 4.438 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.846 0.470 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.330 1.653 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.208 -0.114 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.105 0.842 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.460 2.697 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.325 1.929 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.894 1.692 5.174 1.00 0.00 H new ATOM 112 N GLU A 8 -8.449 -2.845 2.025 1.00 0.00 N ATOM 113 CA GLU A 8 -7.560 -3.757 1.316 1.00 0.00 C ATOM 114 C GLU A 8 -7.712 -3.625 -0.201 1.00 0.00 C ATOM 115 O GLU A 8 -6.758 -3.830 -0.947 1.00 0.00 O ATOM 116 CB GLU A 8 -7.830 -5.204 1.764 1.00 0.00 C ATOM 117 CG GLU A 8 -8.822 -5.961 0.889 1.00 0.00 C ATOM 118 CD GLU A 8 -8.169 -6.579 -0.332 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.111 -7.224 -0.177 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.716 -6.419 -1.443 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.181 -3.308 2.564 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.532 -3.492 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.886 -5.749 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.204 -5.190 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.296 -6.745 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.612 -5.281 0.569 1.00 0.00 H new ATOM 127 N GLU A 9 -8.922 -3.303 -0.646 1.00 0.00 N ATOM 128 CA GLU A 9 -9.210 -3.162 -2.071 1.00 0.00 C ATOM 129 C GLU A 9 -8.492 -1.962 -2.694 1.00 0.00 C ATOM 130 O GLU A 9 -8.057 -2.023 -3.843 1.00 0.00 O ATOM 131 CB GLU A 9 -10.720 -3.034 -2.287 1.00 0.00 C ATOM 132 CG GLU A 9 -11.334 -4.223 -3.004 1.00 0.00 C ATOM 133 CD GLU A 9 -11.441 -4.010 -4.502 1.00 0.00 C ATOM 134 OE1 GLU A 9 -10.451 -3.546 -5.106 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -12.514 -4.305 -5.068 1.00 0.00 O ATOM 0 H GLU A 9 -9.723 -3.134 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.838 -4.058 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.208 -2.912 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.921 -2.130 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.732 -5.110 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.326 -4.415 -2.596 1.00 0.00 H new ATOM 142 N LYS A 10 -8.398 -0.868 -1.947 1.00 0.00 N ATOM 143 CA LYS A 10 -7.761 0.351 -2.444 1.00 0.00 C ATOM 144 C LYS A 10 -6.242 0.209 -2.546 1.00 0.00 C ATOM 145 O LYS A 10 -5.624 0.735 -3.470 1.00 0.00 O ATOM 146 CB LYS A 10 -8.114 1.536 -1.541 1.00 0.00 C ATOM 147 CG LYS A 10 -7.721 1.338 -0.087 1.00 0.00 C ATOM 148 CD LYS A 10 -7.620 2.664 0.648 1.00 0.00 C ATOM 149 CE LYS A 10 -8.959 3.080 1.233 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.783 3.837 0.250 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.754 -0.798 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.142 0.529 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.621 2.430 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.188 1.715 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.456 0.702 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.764 0.818 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.882 2.583 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.266 3.435 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.504 2.194 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.793 3.695 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.498 4.398 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.170 4.472 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.256 3.170 -0.393 1.00 0.00 H new ATOM 164 N VAL A 11 -5.646 -0.490 -1.587 1.00 0.00 N ATOM 165 CA VAL A 11 -4.199 -0.682 -1.567 1.00 0.00 C ATOM 166 C VAL A 11 -3.726 -1.543 -2.738 1.00 0.00 C ATOM 167 O VAL A 11 -2.650 -1.316 -3.293 1.00 0.00 O ATOM 168 CB VAL A 11 -3.749 -1.337 -0.245 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.235 -1.473 -0.193 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.257 -0.537 0.945 1.00 0.00 C ATOM 0 H VAL A 11 -6.141 -0.933 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.749 0.307 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.179 -2.338 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.944 -1.938 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.897 -2.093 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.778 -0.486 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.930 -1.013 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.859 0.477 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.346 -0.501 0.921 1.00 0.00 H new ATOM 180 N LYS A 12 -4.530 -2.531 -3.101 1.00 0.00 N ATOM 181 CA LYS A 12 -4.200 -3.435 -4.196 1.00 0.00 C ATOM 182 C LYS A 12 -4.261 -2.724 -5.536 1.00 0.00 C ATOM 183 O LYS A 12 -3.443 -2.974 -6.420 1.00 0.00 O ATOM 184 CB LYS A 12 -5.133 -4.645 -4.199 1.00 0.00 C ATOM 185 CG LYS A 12 -4.397 -5.976 -4.195 1.00 0.00 C ATOM 186 CD LYS A 12 -4.946 -6.918 -3.135 1.00 0.00 C ATOM 187 CE LYS A 12 -3.837 -7.503 -2.275 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.548 -8.921 -2.629 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.423 -2.729 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.178 -3.780 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.783 -4.595 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.776 -4.596 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.483 -6.443 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.336 -5.805 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.653 -6.382 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.498 -7.725 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.932 -6.907 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.122 -7.442 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.786 -9.283 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.404 -9.495 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.251 -8.977 -3.624 1.00 0.00 H new ATOM 202 N ALA A 13 -5.232 -1.834 -5.685 1.00 0.00 N ATOM 203 CA ALA A 13 -5.382 -1.092 -6.925 1.00 0.00 C ATOM 204 C ALA A 13 -4.093 -0.352 -7.238 1.00 0.00 C ATOM 205 O ALA A 13 -3.679 -0.259 -8.394 1.00 0.00 O ATOM 206 CB ALA A 13 -6.549 -0.121 -6.828 1.00 0.00 C ATOM 0 H ALA A 13 -5.922 -1.610 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.592 -1.791 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.646 0.426 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.468 -0.675 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.370 0.582 -6.015 1.00 0.00 H new ATOM 212 N LEU A 14 -3.446 0.147 -6.191 1.00 0.00 N ATOM 213 CA LEU A 14 -2.178 0.849 -6.350 1.00 0.00 C ATOM 214 C LEU A 14 -1.075 -0.132 -6.727 1.00 0.00 C ATOM 215 O LEU A 14 -0.125 0.216 -7.421 1.00 0.00 O ATOM 216 CB LEU A 14 -1.801 1.597 -5.074 1.00 0.00 C ATOM 217 CG LEU A 14 -1.063 2.918 -5.304 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.340 3.893 -4.171 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.433 2.677 -5.457 1.00 0.00 C ATOM 0 H LEU A 14 -3.776 0.079 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.294 1.579 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.708 1.797 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.176 0.949 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.433 3.360 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.806 4.825 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.410 4.093 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.003 3.461 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.940 3.628 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.821 2.209 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.611 2.021 -6.309 1.00 0.00 H new ATOM 231 N GLU A 15 -1.211 -1.361 -6.246 1.00 0.00 N ATOM 232 CA GLU A 15 -0.236 -2.412 -6.508 1.00 0.00 C ATOM 233 C GLU A 15 -0.023 -2.620 -8.006 1.00 0.00 C ATOM 234 O GLU A 15 1.093 -2.861 -8.458 1.00 0.00 O ATOM 235 CB GLU A 15 -0.709 -3.718 -5.871 1.00 0.00 C ATOM 236 CG GLU A 15 0.358 -4.792 -5.832 1.00 0.00 C ATOM 237 CD GLU A 15 -0.118 -6.112 -6.407 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.761 -6.095 -7.477 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.152 -7.161 -5.787 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.996 -1.657 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 15 0.715 -2.106 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.047 -3.516 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.570 -4.092 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.231 -4.451 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.677 -4.944 -4.801 1.00 0.00 H new ATOM 246 N GLU A 16 -1.111 -2.539 -8.757 1.00 0.00 N ATOM 247 CA GLU A 16 -1.079 -2.726 -10.206 1.00 0.00 C ATOM 248 C GLU A 16 -0.299 -1.618 -10.896 1.00 0.00 C ATOM 249 O GLU A 16 0.347 -1.848 -11.915 1.00 0.00 O ATOM 250 CB GLU A 16 -2.503 -2.785 -10.761 1.00 0.00 C ATOM 251 CG GLU A 16 -3.394 -3.788 -10.045 1.00 0.00 C ATOM 252 CD GLU A 16 -4.814 -3.790 -10.578 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.080 -4.519 -11.557 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.660 -3.063 -10.015 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.040 -2.343 -8.384 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.572 -3.669 -10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.953 -1.795 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.461 -3.040 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.969 -4.786 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.410 -3.559 -8.979 1.00 0.00 H new ATOM 261 N LYS A 17 -0.366 -0.416 -10.341 1.00 0.00 N ATOM 262 CA LYS A 17 0.339 0.723 -10.911 1.00 0.00 C ATOM 263 C LYS A 17 1.848 0.557 -10.755 1.00 0.00 C ATOM 264 O LYS A 17 2.625 1.049 -11.575 1.00 0.00 O ATOM 265 CB LYS A 17 -0.140 2.037 -10.272 1.00 0.00 C ATOM 266 CG LYS A 17 0.461 2.334 -8.906 1.00 0.00 C ATOM 267 CD LYS A 17 1.173 3.676 -8.889 1.00 0.00 C ATOM 268 CE LYS A 17 2.475 3.626 -9.672 1.00 0.00 C ATOM 269 NZ LYS A 17 2.291 4.063 -11.084 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.900 -0.205 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 17 0.113 0.766 -11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.097 2.861 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.225 2.005 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.327 2.330 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.164 1.545 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.521 4.440 -9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.378 3.967 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.214 4.264 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.870 2.610 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.077 4.686 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.275 3.230 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.393 4.579 -11.173 1.00 0.00 H new ATOM 283 N VAL A 18 2.257 -0.131 -9.690 1.00 0.00 N ATOM 284 CA VAL A 18 3.677 -0.349 -9.421 1.00 0.00 C ATOM 285 C VAL A 18 4.305 -1.307 -10.433 1.00 0.00 C ATOM 286 O VAL A 18 5.383 -1.042 -10.963 1.00 0.00 O ATOM 287 CB VAL A 18 3.901 -0.903 -8.002 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.383 -0.922 -7.663 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.123 -0.085 -6.982 1.00 0.00 C ATOM 0 H VAL A 18 1.628 -0.545 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 18 4.160 0.624 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 18 3.533 -1.928 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.521 -1.317 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.911 -1.555 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.781 0.092 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.293 -0.490 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.459 0.951 -7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.059 -0.129 -7.215 1.00 0.00 H new ATOM 299 N LYS A 19 3.623 -2.416 -10.700 1.00 0.00 N ATOM 300 CA LYS A 19 4.118 -3.405 -11.653 1.00 0.00 C ATOM 301 C LYS A 19 4.106 -2.836 -13.069 1.00 0.00 C ATOM 302 O LYS A 19 4.843 -3.293 -13.943 1.00 0.00 O ATOM 303 CB LYS A 19 3.268 -4.676 -11.592 1.00 0.00 C ATOM 304 CG LYS A 19 1.824 -4.465 -12.023 1.00 0.00 C ATOM 305 CD LYS A 19 1.336 -5.595 -12.915 1.00 0.00 C ATOM 306 CE LYS A 19 -0.080 -6.016 -12.557 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.256 -7.493 -12.631 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.728 -2.653 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 19 5.145 -3.655 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.721 -5.437 -12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.281 -5.063 -10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.187 -4.396 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.737 -3.517 -12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.370 -5.278 -13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.006 -6.450 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.317 -5.672 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.785 -5.532 -13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.235 -7.739 -12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.054 -7.819 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.398 -7.954 -11.967 1.00 0.00 H new ATOM 321 N ALA A 20 3.266 -1.829 -13.280 1.00 0.00 N ATOM 322 CA ALA A 20 3.148 -1.178 -14.576 1.00 0.00 C ATOM 323 C ALA A 20 4.203 -0.086 -14.739 1.00 0.00 C ATOM 324 O ALA A 20 4.396 0.446 -15.831 1.00 0.00 O ATOM 325 CB ALA A 20 1.750 -0.600 -14.740 1.00 0.00 C ATOM 0 H ALA A 20 2.652 -1.444 -12.562 1.00 0.00 H new ATOM 0 HA ALA A 20 3.317 -1.923 -15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.669 -0.114 -15.712 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.015 -1.402 -14.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.564 0.131 -13.953 1.00 0.00 H new ATOM 331 N LEU A 21 4.882 0.244 -13.642 1.00 0.00 N ATOM 332 CA LEU A 21 5.915 1.271 -13.659 1.00 0.00 C ATOM 333 C LEU A 21 7.140 0.799 -14.437 1.00 0.00 C ATOM 334 O LEU A 21 7.859 1.602 -15.029 1.00 0.00 O ATOM 335 CB LEU A 21 6.317 1.635 -12.225 1.00 0.00 C ATOM 336 CG LEU A 21 6.484 3.132 -11.946 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.262 3.349 -10.657 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.179 3.825 -13.110 1.00 0.00 C ATOM 0 H LEU A 21 4.733 -0.187 -12.730 1.00 0.00 H new ATOM 0 HA LEU A 21 5.511 2.153 -14.155 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.565 1.238 -11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.256 1.133 -11.991 1.00 0.00 H new ATOM 0 HG LEU A 21 5.492 3.570 -11.831 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.372 4.418 -10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.725 2.892 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.248 2.893 -10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.287 4.887 -12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.164 3.384 -13.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.584 3.701 -14.015 1.00 0.00 H new ATOM 350 N GLY A 22 7.369 -0.510 -14.434 1.00 0.00 N ATOM 351 CA GLY A 22 8.506 -1.065 -15.143 1.00 0.00 C ATOM 352 C GLY A 22 8.947 -2.400 -14.576 1.00 0.00 C ATOM 353 O GLY A 22 8.609 -3.454 -15.116 1.00 0.00 O ATOM 0 H GLY A 22 6.787 -1.196 -13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.250 -1.187 -16.195 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.337 -0.362 -15.097 1.00 0.00 H new ATOM 357 N GLY A 23 9.702 -2.356 -13.484 1.00 0.00 N ATOM 358 CA GLY A 23 10.177 -3.577 -12.861 1.00 0.00 C ATOM 359 C GLY A 23 11.596 -3.919 -13.265 1.00 0.00 C ATOM 360 O GLY A 23 11.815 -4.773 -14.124 1.00 0.00 O ATOM 0 H GLY A 23 9.994 -1.496 -13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.126 -3.472 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.517 -4.401 -13.133 1.00 0.00 H new ATOM 364 N GLY A 24 12.564 -3.250 -12.646 1.00 0.00 N ATOM 365 CA GLY A 24 13.958 -3.502 -12.962 1.00 0.00 C ATOM 366 C GLY A 24 14.897 -3.008 -11.879 1.00 0.00 C ATOM 367 O GLY A 24 15.950 -2.442 -12.173 1.00 0.00 O ATOM 0 H GLY A 24 12.408 -2.539 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.107 -4.572 -13.107 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.207 -3.015 -13.905 1.00 0.00 H new ATOM 371 N GLY A 25 14.517 -3.223 -10.623 1.00 0.00 N ATOM 372 CA GLY A 25 15.346 -2.791 -9.514 1.00 0.00 C ATOM 373 C GLY A 25 14.611 -1.866 -8.563 1.00 0.00 C ATOM 374 O GLY A 25 14.185 -2.284 -7.486 1.00 0.00 O ATOM 0 H GLY A 25 13.650 -3.689 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.698 -3.665 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.228 -2.282 -9.901 1.00 0.00 H new ATOM 378 N ARG A 26 14.466 -0.607 -8.960 1.00 0.00 N ATOM 379 CA ARG A 26 13.780 0.380 -8.132 1.00 0.00 C ATOM 380 C ARG A 26 12.307 0.025 -7.958 1.00 0.00 C ATOM 381 O ARG A 26 11.792 0.020 -6.845 1.00 0.00 O ATOM 382 CB ARG A 26 13.910 1.779 -8.746 1.00 0.00 C ATOM 383 CG ARG A 26 13.411 1.869 -10.180 1.00 0.00 C ATOM 384 CD ARG A 26 13.654 3.249 -10.773 1.00 0.00 C ATOM 385 NE ARG A 26 14.993 3.751 -10.473 1.00 0.00 N ATOM 386 CZ ARG A 26 15.325 5.041 -10.494 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.421 5.961 -10.809 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.564 5.411 -10.204 1.00 0.00 N ATOM 0 H ARG A 26 14.813 -0.245 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 26 14.253 0.376 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.354 2.488 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.956 2.083 -8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.914 1.117 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.345 1.642 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.517 3.207 -11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.911 3.946 -10.384 1.00 0.00 H new ATOM 0 HE ARG A 26 15.717 3.073 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.467 5.681 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.681 6.947 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.263 4.708 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.818 6.399 -10.220 1.00 0.00 H new ATOM 402 N ILE A 27 11.637 -0.257 -9.069 1.00 0.00 N ATOM 403 CA ILE A 27 10.219 -0.604 -9.055 1.00 0.00 C ATOM 404 C ILE A 27 9.954 -1.953 -8.382 1.00 0.00 C ATOM 405 O ILE A 27 8.921 -2.139 -7.744 1.00 0.00 O ATOM 406 CB ILE A 27 9.643 -0.641 -10.484 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.046 0.618 -11.254 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.129 -0.782 -10.441 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.234 0.414 -12.169 1.00 0.00 C ATOM 0 H ILE A 27 12.056 -0.252 -9.999 1.00 0.00 H new ATOM 0 HA ILE A 27 9.724 0.175 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 27 10.054 -1.507 -11.003 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.197 0.959 -11.846 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.278 1.410 -10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.737 -0.807 -11.458 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.864 -1.706 -9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.700 0.066 -9.907 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.463 1.348 -12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.097 0.102 -11.581 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.999 -0.356 -12.904 1.00 0.00 H new ATOM 421 N GLU A 28 10.874 -2.898 -8.555 1.00 0.00 N ATOM 422 CA GLU A 28 10.719 -4.241 -7.991 1.00 0.00 C ATOM 423 C GLU A 28 10.729 -4.241 -6.462 1.00 0.00 C ATOM 424 O GLU A 28 9.967 -4.971 -5.830 1.00 0.00 O ATOM 425 CB GLU A 28 11.827 -5.158 -8.512 1.00 0.00 C ATOM 426 CG GLU A 28 11.803 -5.347 -10.019 1.00 0.00 C ATOM 427 CD GLU A 28 10.587 -6.119 -10.490 1.00 0.00 C ATOM 428 OE1 GLU A 28 9.470 -5.563 -10.432 1.00 0.00 O ATOM 429 OE2 GLU A 28 10.752 -7.281 -10.919 1.00 0.00 O1- ATOM 0 H GLU A 28 11.737 -2.761 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 28 9.745 -4.611 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.794 -4.747 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.737 -6.132 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.820 -4.371 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.706 -5.873 -10.330 1.00 0.00 H new ATOM 436 N GLU A 29 11.604 -3.438 -5.872 1.00 0.00 N ATOM 437 CA GLU A 29 11.721 -3.364 -4.417 1.00 0.00 C ATOM 438 C GLU A 29 10.527 -2.646 -3.790 1.00 0.00 C ATOM 439 O GLU A 29 10.061 -3.016 -2.712 1.00 0.00 O ATOM 440 CB GLU A 29 13.017 -2.653 -4.026 1.00 0.00 C ATOM 441 CG GLU A 29 13.139 -1.250 -4.599 1.00 0.00 C ATOM 442 CD GLU A 29 14.405 -0.546 -4.150 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.501 -0.962 -4.581 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 14.300 0.422 -3.368 1.00 0.00 O ATOM 0 H GLU A 29 12.245 -2.827 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 29 11.737 -4.385 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.078 -2.599 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.865 -3.249 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.124 -1.303 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.273 -0.661 -4.296 1.00 0.00 H new ATOM 451 N LEU A 30 10.060 -1.604 -4.461 1.00 0.00 N ATOM 452 CA LEU A 30 8.947 -0.799 -3.981 1.00 0.00 C ATOM 453 C LEU A 30 7.685 -1.633 -3.755 1.00 0.00 C ATOM 454 O LEU A 30 7.022 -1.499 -2.727 1.00 0.00 O ATOM 455 CB LEU A 30 8.670 0.308 -4.995 1.00 0.00 C ATOM 456 CG LEU A 30 8.481 1.703 -4.405 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.818 2.282 -3.971 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.808 2.614 -5.419 1.00 0.00 C ATOM 0 H LEU A 30 10.442 -1.293 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 30 9.223 -0.373 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.496 0.341 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.775 0.046 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 30 7.840 1.627 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.665 3.277 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.266 1.636 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.482 2.349 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.678 3.606 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.429 2.685 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.834 2.204 -5.686 1.00 0.00 H new ATOM 470 N LYS A 31 7.352 -2.484 -4.719 1.00 0.00 N ATOM 471 CA LYS A 31 6.162 -3.327 -4.612 1.00 0.00 C ATOM 472 C LYS A 31 6.298 -4.340 -3.483 1.00 0.00 C ATOM 473 O LYS A 31 5.316 -4.677 -2.830 1.00 0.00 O ATOM 474 CB LYS A 31 5.844 -4.044 -5.929 1.00 0.00 C ATOM 475 CG LYS A 31 7.050 -4.297 -6.819 1.00 0.00 C ATOM 476 CD LYS A 31 6.885 -5.573 -7.631 1.00 0.00 C ATOM 477 CE LYS A 31 7.655 -6.731 -7.018 1.00 0.00 C ATOM 478 NZ LYS A 31 8.737 -7.217 -7.919 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.885 -2.610 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 31 5.330 -2.661 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.370 -4.999 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.117 -3.451 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.191 -3.451 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.948 -4.368 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.828 -5.831 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.232 -5.404 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.087 -6.417 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.968 -7.549 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.519 -8.184 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.807 -6.591 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.642 -7.216 -7.407 1.00 0.00 H new ATOM 492 N LYS A 32 7.516 -4.828 -3.259 1.00 0.00 N ATOM 493 CA LYS A 32 7.755 -5.807 -2.202 1.00 0.00 C ATOM 494 C LYS A 32 7.282 -5.257 -0.860 1.00 0.00 C ATOM 495 O LYS A 32 6.686 -5.974 -0.057 1.00 0.00 O ATOM 496 CB LYS A 32 9.240 -6.165 -2.130 1.00 0.00 C ATOM 497 CG LYS A 32 9.723 -6.993 -3.310 1.00 0.00 C ATOM 498 CD LYS A 32 11.221 -7.244 -3.238 1.00 0.00 C ATOM 499 CE LYS A 32 11.779 -7.667 -4.588 1.00 0.00 C ATOM 500 NZ LYS A 32 11.935 -9.144 -4.688 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.346 -4.564 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 32 7.191 -6.711 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.825 -5.247 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.428 -6.716 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.194 -7.946 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.484 -6.477 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.727 -6.339 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.426 -8.018 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.116 -7.318 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.745 -7.189 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.318 -9.390 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.587 -9.475 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.009 -9.600 -4.562 1.00 0.00 H new ATOM 514 N LYS A 33 7.533 -3.973 -0.638 1.00 0.00 N ATOM 515 CA LYS A 33 7.114 -3.308 0.589 1.00 0.00 C ATOM 516 C LYS A 33 5.594 -3.264 0.665 1.00 0.00 C ATOM 517 O LYS A 33 5.009 -3.373 1.743 1.00 0.00 O ATOM 518 CB LYS A 33 7.686 -1.890 0.653 1.00 0.00 C ATOM 519 CG LYS A 33 7.662 -1.287 2.049 1.00 0.00 C ATOM 520 CD LYS A 33 9.051 -0.861 2.498 1.00 0.00 C ATOM 521 CE LYS A 33 9.404 0.525 1.984 1.00 0.00 C ATOM 522 NZ LYS A 33 9.279 1.562 3.045 1.00 0.00 N1+ ATOM 0 H LYS A 33 8.027 -3.369 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 33 7.496 -3.873 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.714 -1.905 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.119 -1.248 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.994 -0.426 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.258 -2.014 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.101 -0.870 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.787 -1.581 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.424 0.520 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.751 0.780 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.529 2.492 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.300 1.585 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.921 1.334 3.831 1.00 0.00 H new ATOM 536 N TYR A 34 4.963 -3.101 -0.494 1.00 0.00 N ATOM 537 CA TYR A 34 3.510 -3.037 -0.577 1.00 0.00 C ATOM 538 C TYR A 34 2.871 -4.285 0.026 1.00 0.00 C ATOM 539 O TYR A 34 1.831 -4.201 0.673 1.00 0.00 O ATOM 540 CB TYR A 34 3.067 -2.867 -2.034 1.00 0.00 C ATOM 541 CG TYR A 34 2.275 -1.605 -2.275 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.943 -1.516 -1.894 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.860 -0.501 -2.883 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.215 -0.363 -2.112 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.139 0.656 -3.102 1.00 0.00 C ATOM 546 CZ TYR A 34 0.818 0.719 -2.716 1.00 0.00 C ATOM 547 OH TYR A 34 0.096 1.869 -2.929 1.00 0.00 O ATOM 0 H TYR A 34 5.439 -3.011 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 34 3.177 -2.173 -0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.948 -2.863 -2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.464 -3.727 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.468 -2.362 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.895 -0.549 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.821 -0.310 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.608 1.507 -3.573 1.00 0.00 H new ATOM 0 HH TYR A 34 0.673 2.648 -2.788 1.00 0.00 H new ATOM 557 N GLU A 35 3.496 -5.441 -0.186 1.00 0.00 N ATOM 558 CA GLU A 35 2.980 -6.696 0.348 1.00 0.00 C ATOM 559 C GLU A 35 2.798 -6.597 1.860 1.00 0.00 C ATOM 560 O GLU A 35 1.801 -7.064 2.410 1.00 0.00 O ATOM 561 CB GLU A 35 3.928 -7.849 0.011 1.00 0.00 C ATOM 562 CG GLU A 35 4.349 -7.881 -1.450 1.00 0.00 C ATOM 563 CD GLU A 35 4.673 -9.281 -1.933 1.00 0.00 C ATOM 564 OE1 GLU A 35 5.348 -10.024 -1.189 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 4.252 -9.634 -3.054 1.00 0.00 O ATOM 0 H GLU A 35 4.358 -5.533 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 35 2.011 -6.891 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.818 -7.772 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.443 -8.793 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.550 -7.465 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.222 -7.242 -1.587 1.00 0.00 H new ATOM 572 N GLU A 36 3.766 -5.968 2.520 1.00 0.00 N ATOM 573 CA GLU A 36 3.717 -5.784 3.965 1.00 0.00 C ATOM 574 C GLU A 36 2.463 -5.013 4.361 1.00 0.00 C ATOM 575 O GLU A 36 1.850 -5.287 5.392 1.00 0.00 O ATOM 576 CB GLU A 36 4.964 -5.040 4.449 1.00 0.00 C ATOM 577 CG GLU A 36 5.043 -4.907 5.961 1.00 0.00 C ATOM 578 CD GLU A 36 5.867 -3.710 6.397 1.00 0.00 C ATOM 579 OE1 GLU A 36 5.482 -2.570 6.064 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.899 -3.914 7.072 1.00 0.00 O ATOM 0 H GLU A 36 4.596 -5.576 2.075 1.00 0.00 H new ATOM 0 HA GLU A 36 3.688 -6.766 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.851 -5.563 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.979 -4.045 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.036 -4.818 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.477 -5.815 6.380 1.00 0.00 H new ATOM 587 N LEU A 37 2.095 -4.043 3.531 1.00 0.00 N ATOM 588 CA LEU A 37 0.922 -3.215 3.781 1.00 0.00 C ATOM 589 C LEU A 37 -0.343 -4.061 3.886 1.00 0.00 C ATOM 590 O LEU A 37 -1.159 -3.861 4.784 1.00 0.00 O ATOM 591 CB LEU A 37 0.774 -2.203 2.644 1.00 0.00 C ATOM 592 CG LEU A 37 0.853 -0.734 3.049 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.500 -0.237 3.535 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.918 -0.518 4.112 1.00 0.00 C ATOM 0 H LEU A 37 2.596 -3.810 2.674 1.00 0.00 H new ATOM 0 HA LEU A 37 1.058 -2.698 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.551 -2.399 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.184 -2.374 2.153 1.00 0.00 H new ATOM 0 HG LEU A 37 1.134 -0.157 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.422 0.812 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.235 -0.343 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.815 -0.824 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.953 0.537 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.677 -1.111 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.889 -0.825 3.722 1.00 0.00 H new ATOM 606 N LYS A 38 -0.498 -5.000 2.965 1.00 0.00 N ATOM 607 CA LYS A 38 -1.664 -5.879 2.950 1.00 0.00 C ATOM 608 C LYS A 38 -1.829 -6.592 4.289 1.00 0.00 C ATOM 609 O LYS A 38 -2.943 -6.764 4.778 1.00 0.00 O ATOM 610 CB LYS A 38 -1.538 -6.907 1.824 1.00 0.00 C ATOM 611 CG LYS A 38 -1.370 -6.287 0.446 1.00 0.00 C ATOM 612 CD LYS A 38 -0.793 -7.283 -0.546 1.00 0.00 C ATOM 613 CE LYS A 38 -0.530 -6.636 -1.896 1.00 0.00 C ATOM 614 NZ LYS A 38 0.822 -6.018 -1.962 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.170 -5.176 2.214 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.548 -5.265 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.685 -7.554 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.425 -7.541 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.335 -5.931 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.715 -5.418 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.136 -7.694 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.484 -8.117 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.625 -7.385 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.287 -5.875 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.867 -5.366 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.007 -5.493 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.539 -6.763 -2.078 1.00 0.00 H new ATOM 628 N LYS A 39 -0.709 -7.012 4.867 1.00 0.00 N ATOM 629 CA LYS A 39 -0.715 -7.719 6.144 1.00 0.00 C ATOM 630 C LYS A 39 -1.269 -6.846 7.270 1.00 0.00 C ATOM 631 O LYS A 39 -1.963 -7.337 8.158 1.00 0.00 O ATOM 632 CB LYS A 39 0.701 -8.184 6.494 1.00 0.00 C ATOM 633 CG LYS A 39 0.840 -9.695 6.578 1.00 0.00 C ATOM 634 CD LYS A 39 2.249 -10.102 6.982 1.00 0.00 C ATOM 635 CE LYS A 39 2.714 -11.338 6.226 1.00 0.00 C ATOM 636 NZ LYS A 39 3.933 -11.065 5.416 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.220 -6.874 4.469 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.368 -8.585 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.395 -7.804 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.993 -7.747 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.125 -10.088 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.594 -10.139 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.936 -9.278 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.278 -10.298 8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.920 -12.141 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.914 -11.687 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.219 -11.931 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.729 -10.317 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.704 -10.757 6.042 1.00 0.00 H new ATOM 650 N LYS A 40 -0.944 -5.556 7.240 1.00 0.00 N ATOM 651 CA LYS A 40 -1.399 -4.623 8.270 1.00 0.00 C ATOM 652 C LYS A 40 -2.922 -4.535 8.313 1.00 0.00 C ATOM 653 O LYS A 40 -3.525 -4.530 9.387 1.00 0.00 O ATOM 654 CB LYS A 40 -0.806 -3.235 8.024 1.00 0.00 C ATOM 655 CG LYS A 40 -0.377 -2.523 9.297 1.00 0.00 C ATOM 656 CD LYS A 40 0.615 -1.407 9.007 1.00 0.00 C ATOM 657 CE LYS A 40 1.994 -1.724 9.565 1.00 0.00 C ATOM 658 NZ LYS A 40 3.081 -1.204 8.692 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.367 -5.132 6.514 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.055 -5.000 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.055 -3.329 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.542 -2.621 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.253 -2.111 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.073 -3.241 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.684 -1.252 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.252 -0.475 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.090 -1.291 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.102 -2.803 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.004 -1.426 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.015 -1.648 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.984 -0.173 8.594 1.00 0.00 H new ATOM 672 N ILE A 41 -3.538 -4.469 7.140 1.00 0.00 N ATOM 673 CA ILE A 41 -4.990 -4.383 7.035 1.00 0.00 C ATOM 674 C ILE A 41 -5.637 -5.629 7.623 1.00 0.00 C ATOM 675 O ILE A 41 -6.706 -5.564 8.230 1.00 0.00 O ATOM 676 CB ILE A 41 -5.438 -4.217 5.568 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.730 -3.020 4.929 1.00 0.00 C ATOM 678 CG2 ILE A 41 -6.950 -4.051 5.482 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.883 -2.962 3.425 1.00 0.00 C ATOM 0 H ILE A 41 -3.052 -4.473 6.243 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.309 -3.505 7.597 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.163 -5.118 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.124 -2.101 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.669 -3.060 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.245 -3.935 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.437 -4.931 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.252 -3.167 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.357 -2.089 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.463 -3.865 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.940 -2.890 3.169 1.00 0.00 H new ATOM 691 N GLU A 42 -4.969 -6.761 7.448 1.00 0.00 N ATOM 692 CA GLU A 42 -5.457 -8.027 7.969 1.00 0.00 C ATOM 693 C GLU A 42 -5.535 -7.972 9.490 1.00 0.00 C ATOM 694 O GLU A 42 -6.411 -8.582 10.103 1.00 0.00 O ATOM 695 CB GLU A 42 -4.540 -9.172 7.526 1.00 0.00 C ATOM 696 CG GLU A 42 -5.260 -10.260 6.745 1.00 0.00 C ATOM 697 CD GLU A 42 -5.511 -11.503 7.575 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.572 -12.312 7.729 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.645 -11.669 8.070 1.00 0.00 O ATOM 0 H GLU A 42 -4.083 -6.826 6.946 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.456 -8.208 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.737 -8.766 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.075 -9.615 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.211 -9.872 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.668 -10.526 5.869 1.00 0.00 H new ATOM 706 N GLU A 43 -4.605 -7.236 10.090 1.00 0.00 N ATOM 707 CA GLU A 43 -4.556 -7.094 11.541 1.00 0.00 C ATOM 708 C GLU A 43 -5.635 -6.136 12.036 1.00 0.00 C ATOM 709 O GLU A 43 -6.059 -6.208 13.189 1.00 0.00 O ATOM 710 CB GLU A 43 -3.177 -6.596 11.978 1.00 0.00 C ATOM 711 CG GLU A 43 -2.178 -7.714 12.231 1.00 0.00 C ATOM 712 CD GLU A 43 -1.110 -7.325 13.234 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.382 -6.450 14.083 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 0.000 -7.896 13.171 1.00 0.00 O ATOM 0 H GLU A 43 -3.874 -6.728 9.593 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.740 -8.074 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.780 -5.932 11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.285 -6.004 12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.708 -8.595 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.703 -7.992 11.290 1.00 0.00 H new ATOM 721 N LEU A 44 -6.074 -5.239 11.157 1.00 0.00 N ATOM 722 CA LEU A 44 -7.104 -4.266 11.505 1.00 0.00 C ATOM 723 C LEU A 44 -8.354 -4.960 12.041 1.00 0.00 C ATOM 724 O LEU A 44 -8.980 -5.758 11.344 1.00 0.00 O ATOM 725 CB LEU A 44 -7.458 -3.418 10.281 1.00 0.00 C ATOM 726 CG LEU A 44 -7.259 -1.913 10.453 1.00 0.00 C ATOM 727 CD1 LEU A 44 -7.078 -1.243 9.101 1.00 0.00 C ATOM 728 CD2 LEU A 44 -8.436 -1.304 11.200 1.00 0.00 C ATOM 0 H LEU A 44 -5.732 -5.166 10.199 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.711 -3.619 12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.853 -3.754 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.500 -3.603 10.020 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.356 -1.748 11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.938 -0.171 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.204 -1.661 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.963 -1.415 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.279 -0.231 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.353 -1.478 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.520 -1.765 12.184 1.00 0.00 H new ATOM 740 N GLY A 45 -8.711 -4.648 13.283 1.00 0.00 N ATOM 741 CA GLY A 45 -9.884 -5.250 13.891 1.00 0.00 C ATOM 742 C GLY A 45 -11.031 -4.270 14.039 1.00 0.00 C ATOM 743 O GLY A 45 -12.012 -4.334 13.300 1.00 0.00 O ATOM 0 H GLY A 45 -8.209 -3.990 13.879 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.209 -6.096 13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.619 -5.644 14.872 1.00 0.00 H new ATOM 747 N GLY A 46 -10.906 -3.359 15.000 1.00 0.00 N ATOM 748 CA GLY A 46 -11.948 -2.373 15.226 1.00 0.00 C ATOM 749 C GLY A 46 -11.907 -1.243 14.217 1.00 0.00 C ATOM 750 O GLY A 46 -11.017 -1.193 13.368 1.00 0.00 O ATOM 0 H GLY A 46 -10.103 -3.286 15.625 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.922 -2.861 15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.844 -1.963 16.230 1.00 0.00 H new ATOM 754 N GLY A 47 -12.873 -0.334 14.311 1.00 0.00 N ATOM 755 CA GLY A 47 -12.925 0.788 13.393 1.00 0.00 C ATOM 756 C GLY A 47 -12.124 1.979 13.882 1.00 0.00 C ATOM 757 O GLY A 47 -11.724 2.030 15.045 1.00 0.00 O ATOM 0 H GLY A 47 -13.619 -0.355 15.006 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.546 0.475 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.963 1.087 13.249 1.00 0.00 H new ATOM 761 N GLY A 48 -11.890 2.938 12.993 1.00 0.00 N ATOM 762 CA GLY A 48 -11.133 4.121 13.360 1.00 0.00 C ATOM 763 C GLY A 48 -9.667 4.011 12.988 1.00 0.00 C ATOM 764 O GLY A 48 -9.007 5.018 12.737 1.00 0.00 O ATOM 0 H GLY A 48 -12.211 2.918 12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.565 4.992 12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.221 4.286 14.434 1.00 0.00 H new ATOM 768 N GLU A 49 -9.160 2.784 12.951 1.00 0.00 N ATOM 769 CA GLU A 49 -7.762 2.544 12.607 1.00 0.00 C ATOM 770 C GLU A 49 -7.587 2.368 11.101 1.00 0.00 C ATOM 771 O GLU A 49 -6.480 2.495 10.577 1.00 0.00 O ATOM 772 CB GLU A 49 -7.243 1.305 13.339 1.00 0.00 C ATOM 773 CG GLU A 49 -5.755 1.063 13.143 1.00 0.00 C ATOM 774 CD GLU A 49 -5.106 0.422 14.353 1.00 0.00 C ATOM 775 OE1 GLU A 49 -5.523 0.737 15.488 1.00 0.00 O ATOM 776 OE2 GLU A 49 -4.180 -0.396 14.168 1.00 0.00 O1- ATOM 0 H GLU A 49 -9.695 1.940 13.155 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.185 3.415 12.919 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.449 1.410 14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.794 0.431 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.606 0.423 12.273 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.261 2.011 12.930 1.00 0.00 H new ATOM 783 N VAL A 50 -8.683 2.073 10.405 1.00 0.00 N ATOM 784 CA VAL A 50 -8.644 1.878 8.960 1.00 0.00 C ATOM 785 C VAL A 50 -8.009 3.075 8.257 1.00 0.00 C ATOM 786 O VAL A 50 -7.358 2.925 7.225 1.00 0.00 O ATOM 787 CB VAL A 50 -10.055 1.650 8.386 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.645 0.353 8.918 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.960 2.828 8.709 1.00 0.00 C ATOM 0 H VAL A 50 -9.608 1.964 10.820 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.037 0.991 8.779 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.977 1.569 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.642 0.209 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.007 -0.482 8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.709 0.402 10.005 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.952 2.649 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.033 2.945 9.790 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.544 3.736 8.273 1.00 0.00 H new ATOM 799 N LYS A 51 -8.206 4.260 8.823 1.00 0.00 N ATOM 800 CA LYS A 51 -7.654 5.484 8.251 1.00 0.00 C ATOM 801 C LYS A 51 -6.132 5.514 8.380 1.00 0.00 C ATOM 802 O LYS A 51 -5.436 6.049 7.517 1.00 0.00 O ATOM 803 CB LYS A 51 -8.260 6.709 8.938 1.00 0.00 C ATOM 804 CG LYS A 51 -9.514 7.231 8.255 1.00 0.00 C ATOM 805 CD LYS A 51 -10.722 6.359 8.562 1.00 0.00 C ATOM 806 CE LYS A 51 -11.644 7.017 9.576 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.489 6.425 10.933 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.744 4.400 9.678 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.908 5.505 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.498 6.455 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.515 7.504 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.709 8.252 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.354 7.266 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.273 6.163 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.388 5.395 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.432 8.085 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.678 6.910 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.371 6.550 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.277 5.410 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.710 6.900 11.432 1.00 0.00 H new ATOM 821 N LYS A 52 -5.624 4.940 9.467 1.00 0.00 N ATOM 822 CA LYS A 52 -4.186 4.905 9.714 1.00 0.00 C ATOM 823 C LYS A 52 -3.460 4.114 8.630 1.00 0.00 C ATOM 824 O LYS A 52 -2.409 4.530 8.143 1.00 0.00 O ATOM 825 CB LYS A 52 -3.903 4.291 11.089 1.00 0.00 C ATOM 826 CG LYS A 52 -3.011 5.154 11.968 1.00 0.00 C ATOM 827 CD LYS A 52 -3.493 5.171 13.410 1.00 0.00 C ATOM 828 CE LYS A 52 -3.396 6.562 14.014 1.00 0.00 C ATOM 829 NZ LYS A 52 -3.068 6.516 15.467 1.00 0.00 N1+ ATOM 0 H LYS A 52 -6.187 4.493 10.191 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.814 5.929 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.849 4.119 11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.433 3.317 10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.989 4.778 11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.991 6.172 11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.526 4.826 13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.899 4.474 14.001 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.632 7.134 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.341 7.086 13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.011 7.485 15.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.810 5.992 15.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.154 6.039 15.602 1.00 0.00 H new ATOM 843 N VAL A 53 -4.025 2.970 8.258 1.00 0.00 N ATOM 844 CA VAL A 53 -3.433 2.116 7.233 1.00 0.00 C ATOM 845 C VAL A 53 -3.403 2.814 5.877 1.00 0.00 C ATOM 846 O VAL A 53 -2.440 2.677 5.130 1.00 0.00 O ATOM 847 CB VAL A 53 -4.203 0.786 7.103 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.559 -0.111 6.054 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.274 0.080 8.447 1.00 0.00 C ATOM 0 H VAL A 53 -4.895 2.612 8.652 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.410 1.908 7.546 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.219 1.008 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.119 -1.043 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.566 0.395 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.530 -0.327 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.821 -0.857 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.265 -0.128 8.802 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.788 0.718 9.166 1.00 0.00 H new ATOM 859 N GLU A 54 -4.459 3.556 5.565 1.00 0.00 N ATOM 860 CA GLU A 54 -4.541 4.269 4.293 1.00 0.00 C ATOM 861 C GLU A 54 -3.392 5.262 4.152 1.00 0.00 C ATOM 862 O GLU A 54 -2.904 5.510 3.052 1.00 0.00 O ATOM 863 CB GLU A 54 -5.881 4.998 4.175 1.00 0.00 C ATOM 864 CG GLU A 54 -7.084 4.072 4.227 1.00 0.00 C ATOM 865 CD GLU A 54 -8.394 4.824 4.363 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.777 5.527 3.404 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -9.036 4.710 5.428 1.00 0.00 O ATOM 0 H GLU A 54 -5.269 3.680 6.172 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.465 3.536 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.960 5.728 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.901 5.554 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.110 3.465 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.974 3.386 5.067 1.00 0.00 H new ATOM 874 N GLU A 55 -2.966 5.827 5.274 1.00 0.00 N ATOM 875 CA GLU A 55 -1.870 6.789 5.282 1.00 0.00 C ATOM 876 C GLU A 55 -0.543 6.099 4.974 1.00 0.00 C ATOM 877 O GLU A 55 0.328 6.663 4.313 1.00 0.00 O ATOM 878 CB GLU A 55 -1.790 7.494 6.636 1.00 0.00 C ATOM 879 CG GLU A 55 -1.333 8.940 6.543 1.00 0.00 C ATOM 880 CD GLU A 55 -1.944 9.816 7.618 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.012 9.445 8.150 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -1.356 10.872 7.930 1.00 0.00 O ATOM 0 H GLU A 55 -3.364 5.635 6.193 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.064 7.531 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.770 7.461 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.104 6.946 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.247 8.979 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.596 9.338 5.563 1.00 0.00 H new ATOM 889 N GLU A 56 -0.400 4.878 5.477 1.00 0.00 N ATOM 890 CA GLU A 56 0.814 4.092 5.288 1.00 0.00 C ATOM 891 C GLU A 56 1.118 3.864 3.807 1.00 0.00 C ATOM 892 O GLU A 56 2.256 4.025 3.366 1.00 0.00 O ATOM 893 CB GLU A 56 0.655 2.749 6.001 1.00 0.00 C ATOM 894 CG GLU A 56 1.456 2.641 7.283 1.00 0.00 C ATOM 895 CD GLU A 56 2.951 2.591 7.037 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.421 3.270 6.099 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.652 1.875 7.782 1.00 0.00 O ATOM 0 H GLU A 56 -1.119 4.406 6.025 1.00 0.00 H new ATOM 0 HA GLU A 56 1.651 4.647 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.399 2.591 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.959 1.950 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.226 3.493 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.151 1.745 7.823 1.00 0.00 H new ATOM 904 N VAL A 57 0.097 3.485 3.050 1.00 0.00 N ATOM 905 CA VAL A 57 0.250 3.227 1.623 1.00 0.00 C ATOM 906 C VAL A 57 0.557 4.511 0.855 1.00 0.00 C ATOM 907 O VAL A 57 1.306 4.498 -0.121 1.00 0.00 O ATOM 908 CB VAL A 57 -1.003 2.542 1.031 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.157 3.525 0.871 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.663 1.884 -0.296 1.00 0.00 C ATOM 0 H VAL A 57 -0.851 3.349 3.402 1.00 0.00 H new ATOM 0 HA VAL A 57 1.095 2.547 1.513 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.329 1.772 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.020 3.008 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.419 3.940 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.858 4.332 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.553 1.405 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.305 2.639 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.114 1.135 -0.142 1.00 0.00 H new ATOM 920 N LYS A 58 -0.034 5.616 1.301 1.00 0.00 N ATOM 921 CA LYS A 58 0.163 6.912 0.659 1.00 0.00 C ATOM 922 C LYS A 58 1.648 7.252 0.556 1.00 0.00 C ATOM 923 O LYS A 58 2.081 7.895 -0.397 1.00 0.00 O ATOM 924 CB LYS A 58 -0.569 8.007 1.439 1.00 0.00 C ATOM 925 CG LYS A 58 -1.973 8.280 0.928 1.00 0.00 C ATOM 926 CD LYS A 58 -1.950 8.927 -0.447 1.00 0.00 C ATOM 927 CE LYS A 58 -3.187 8.566 -1.252 1.00 0.00 C ATOM 928 NZ LYS A 58 -3.115 9.088 -2.645 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.656 5.639 2.109 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.248 6.855 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.623 7.720 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.012 8.928 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.533 7.346 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.496 8.931 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.887 10.010 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.058 8.608 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.301 7.482 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.072 8.969 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.977 8.821 -3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.032 10.124 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.285 8.684 -3.125 1.00 0.00 H new ATOM 942 N LYS A 59 2.420 6.820 1.542 1.00 0.00 N ATOM 943 CA LYS A 59 3.854 7.079 1.555 1.00 0.00 C ATOM 944 C LYS A 59 4.558 6.317 0.433 1.00 0.00 C ATOM 945 O LYS A 59 5.503 6.818 -0.175 1.00 0.00 O ATOM 946 CB LYS A 59 4.452 6.683 2.907 1.00 0.00 C ATOM 947 CG LYS A 59 3.729 7.299 4.094 1.00 0.00 C ATOM 948 CD LYS A 59 4.180 6.675 5.406 1.00 0.00 C ATOM 949 CE LYS A 59 4.394 7.730 6.479 1.00 0.00 C ATOM 950 NZ LYS A 59 5.617 8.541 6.226 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.079 6.289 2.343 1.00 0.00 H new ATOM 0 HA LYS A 59 4.005 8.147 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.429 5.597 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.499 6.983 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.915 8.373 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.654 7.164 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.433 5.957 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.106 6.122 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.525 8.387 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.474 7.246 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.831 9.117 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.418 7.908 6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.457 9.165 5.409 1.00 0.00 H new ATOM 964 N LEU A 60 4.097 5.094 0.177 1.00 0.00 N ATOM 965 CA LEU A 60 4.689 4.247 -0.858 1.00 0.00 C ATOM 966 C LEU A 60 4.616 4.893 -2.243 1.00 0.00 C ATOM 967 O LEU A 60 5.596 4.882 -2.988 1.00 0.00 O ATOM 968 CB LEU A 60 3.984 2.889 -0.887 1.00 0.00 C ATOM 969 CG LEU A 60 4.881 1.700 -1.229 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.569 1.916 -2.567 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.908 1.473 -0.129 1.00 0.00 C ATOM 0 H LEU A 60 3.314 4.667 0.672 1.00 0.00 H new ATOM 0 HA LEU A 60 5.742 4.116 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.529 2.712 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.173 2.933 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 60 4.257 0.810 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.203 1.059 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.818 2.027 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.180 2.817 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.538 0.622 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.527 2.363 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.395 1.270 0.811 1.00 0.00 H new ATOM 983 N GLU A 61 3.458 5.449 -2.587 1.00 0.00 N ATOM 984 CA GLU A 61 3.281 6.087 -3.890 1.00 0.00 C ATOM 985 C GLU A 61 4.148 7.336 -4.008 1.00 0.00 C ATOM 986 O GLU A 61 4.645 7.659 -5.087 1.00 0.00 O ATOM 987 CB GLU A 61 1.808 6.434 -4.141 1.00 0.00 C ATOM 988 CG GLU A 61 1.154 7.230 -3.024 1.00 0.00 C ATOM 989 CD GLU A 61 1.505 8.706 -3.071 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.114 9.141 -4.070 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.167 9.426 -2.108 1.00 0.00 O ATOM 0 H GLU A 61 2.633 5.472 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 61 3.598 5.374 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.734 7.002 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.249 5.510 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.072 7.116 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.461 6.818 -2.063 1.00 0.00 H new ATOM 998 N GLU A 62 4.332 8.028 -2.890 1.00 0.00 N ATOM 999 CA GLU A 62 5.149 9.238 -2.860 1.00 0.00 C ATOM 1000 C GLU A 62 6.536 8.956 -3.422 1.00 0.00 C ATOM 1001 O GLU A 62 7.126 9.790 -4.105 1.00 0.00 O ATOM 1002 CB GLU A 62 5.263 9.771 -1.431 1.00 0.00 C ATOM 1003 CG GLU A 62 3.951 10.295 -0.869 1.00 0.00 C ATOM 1004 CD GLU A 62 4.050 11.732 -0.395 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.202 12.629 -1.250 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.975 11.960 0.830 1.00 0.00 O1- ATOM 0 H GLU A 62 3.926 7.772 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 62 4.665 9.994 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.634 8.976 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.003 10.571 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.178 10.221 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.638 9.663 -0.038 1.00 0.00 H new ATOM 1013 N GLU A 63 7.042 7.766 -3.132 1.00 0.00 N ATOM 1014 CA GLU A 63 8.354 7.349 -3.606 1.00 0.00 C ATOM 1015 C GLU A 63 8.319 7.064 -5.105 1.00 0.00 C ATOM 1016 O GLU A 63 9.309 7.261 -5.809 1.00 0.00 O ATOM 1017 CB GLU A 63 8.823 6.104 -2.850 1.00 0.00 C ATOM 1018 CG GLU A 63 8.634 6.200 -1.344 1.00 0.00 C ATOM 1019 CD GLU A 63 9.398 7.357 -0.733 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.547 7.602 -1.160 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 8.851 8.018 0.174 1.00 0.00 O ATOM 0 H GLU A 63 6.560 7.068 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 63 9.057 8.161 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.278 5.236 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.878 5.934 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.573 6.312 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.960 5.269 -0.881 1.00 0.00 H new ATOM 1028 N ILE A 64 7.175 6.580 -5.580 1.00 0.00 N ATOM 1029 CA ILE A 64 7.009 6.244 -6.993 1.00 0.00 C ATOM 1030 C ILE A 64 7.301 7.437 -7.905 1.00 0.00 C ATOM 1031 O ILE A 64 7.830 7.269 -9.003 1.00 0.00 O ATOM 1032 CB ILE A 64 5.583 5.728 -7.284 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.264 4.521 -6.400 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.430 5.365 -8.756 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.881 3.953 -6.626 1.00 0.00 C ATOM 0 H ILE A 64 6.348 6.411 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 64 7.731 5.456 -7.205 1.00 0.00 H new ATOM 0 HB ILE A 64 4.876 6.525 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.003 3.741 -6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.362 4.811 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.418 5.004 -8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.617 6.246 -9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.146 4.585 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.725 3.100 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.134 4.718 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.785 3.631 -7.663 1.00 0.00 H new ATOM 1047 N LYS A 65 6.949 8.637 -7.455 1.00 0.00 N ATOM 1048 CA LYS A 65 7.176 9.839 -8.251 1.00 0.00 C ATOM 1049 C LYS A 65 8.659 10.206 -8.281 1.00 0.00 C ATOM 1050 O LYS A 65 9.158 10.728 -9.279 1.00 0.00 O ATOM 1051 CB LYS A 65 6.355 11.007 -7.696 1.00 0.00 C ATOM 1052 CG LYS A 65 6.912 11.587 -6.406 1.00 0.00 C ATOM 1053 CD LYS A 65 7.834 12.765 -6.676 1.00 0.00 C ATOM 1054 CE LYS A 65 7.258 14.063 -6.134 1.00 0.00 C ATOM 1055 NZ LYS A 65 7.867 14.437 -4.828 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.509 8.803 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 65 6.855 9.633 -9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.307 11.795 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.333 10.671 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.090 11.907 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.457 10.814 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.806 12.579 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.999 12.860 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.425 14.863 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.179 13.960 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.448 15.327 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.686 13.685 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.893 14.560 -4.946 1.00 0.00 H new ATOM 1069 N LYS A 66 9.354 9.934 -7.183 1.00 0.00 N ATOM 1070 CA LYS A 66 10.778 10.238 -7.082 1.00 0.00 C ATOM 1071 C LYS A 66 11.599 9.362 -8.024 1.00 0.00 C ATOM 1072 O LYS A 66 12.708 9.726 -8.414 1.00 0.00 O ATOM 1073 CB LYS A 66 11.260 10.044 -5.643 1.00 0.00 C ATOM 1074 CG LYS A 66 10.950 11.224 -4.734 1.00 0.00 C ATOM 1075 CD LYS A 66 12.195 11.717 -4.014 1.00 0.00 C ATOM 1076 CE LYS A 66 12.396 10.993 -2.692 1.00 0.00 C ATOM 1077 NZ LYS A 66 13.451 11.638 -1.861 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.955 9.503 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 66 10.918 11.279 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.797 9.147 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.337 9.873 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.524 12.036 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.197 10.932 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.068 11.566 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.113 12.789 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.457 10.979 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.669 9.955 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.558 11.115 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.354 11.629 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.179 12.621 -1.656 1.00 0.00 H new ATOM 1091 N LEU A 67 11.052 8.206 -8.384 1.00 0.00 N ATOM 1092 CA LEU A 67 11.741 7.282 -9.276 1.00 0.00 C ATOM 1093 C LEU A 67 11.202 7.394 -10.701 1.00 0.00 C ATOM 1094 O LEU A 67 10.050 7.847 -10.862 1.00 0.00 O ATOM 1095 CB LEU A 67 11.601 5.844 -8.762 1.00 0.00 C ATOM 1096 CG LEU A 67 10.303 5.129 -9.153 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.502 4.311 -10.420 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.818 4.243 -8.016 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.937 7.027 -11.642 1.00 0.00 O ATOM 0 H LEU A 67 10.135 7.887 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 67 12.798 7.548 -9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.443 5.260 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.676 5.856 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 67 9.542 5.884 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.569 3.811 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.801 4.970 -11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.279 3.565 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.895 3.744 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.578 3.496 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.633 4.854 -7.132 1.00 0.00 H new TER 1111 LEU A 67