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 Single : A 1 GLY N :NH3+ -109:sc= 0.0758 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -1.98! (180deg=-2.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 131:sc= -10.7! USER MOD Single : A 38 LYS NZ :NH3+ 132:sc= -0.591 (180deg=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 0.0713 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.211) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -132:sc= -0.906 (180deg=-2.87!) 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 -17.163 -6.597 9.274 1.00 0.00 N ATOM 2 CA GLY A 1 -16.348 -5.563 8.577 1.00 0.00 C ATOM 3 C GLY A 1 -17.108 -4.884 7.454 1.00 0.00 C ATOM 4 O GLY A 1 -18.193 -5.323 7.074 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.413 -6.259 10.225 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.032 -6.778 8.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.614 -7.477 9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.025 -4.812 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.447 -6.026 8.174 1.00 0.00 H new ATOM 10 N SER A 2 -16.535 -3.808 6.922 1.00 0.00 N ATOM 11 CA SER A 2 -17.166 -3.067 5.837 1.00 0.00 C ATOM 12 C SER A 2 -16.255 -1.947 5.342 1.00 0.00 C ATOM 13 O SER A 2 -16.152 -1.702 4.139 1.00 0.00 O ATOM 14 CB SER A 2 -18.504 -2.486 6.297 1.00 0.00 C ATOM 15 OG SER A 2 -18.314 -1.505 7.303 1.00 0.00 O ATOM 0 H SER A 2 -15.637 -3.431 7.225 1.00 0.00 H new ATOM 0 HA SER A 2 -17.343 -3.759 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.024 -2.044 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.139 -3.285 6.679 1.00 0.00 H new ATOM 0 HG SER A 2 -19.183 -1.147 7.579 1.00 0.00 H new ATOM 21 N ARG A 3 -15.599 -1.267 6.276 1.00 0.00 N ATOM 22 CA ARG A 3 -14.699 -0.171 5.934 1.00 0.00 C ATOM 23 C ARG A 3 -13.247 -0.638 5.928 1.00 0.00 C ATOM 24 O ARG A 3 -12.428 -0.139 5.158 1.00 0.00 O ATOM 25 CB ARG A 3 -14.871 0.987 6.919 1.00 0.00 C ATOM 26 CG ARG A 3 -14.514 0.627 8.351 1.00 0.00 C ATOM 27 CD ARG A 3 -13.138 1.150 8.732 1.00 0.00 C ATOM 28 NE ARG A 3 -13.124 2.605 8.865 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.733 3.264 9.847 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.401 2.603 10.785 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.673 4.589 9.893 1.00 0.00 N ATOM 0 H ARG A 3 -15.673 -1.455 7.276 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.954 0.174 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.248 1.822 6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.905 1.330 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.262 1.040 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.539 -0.456 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.825 0.697 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.413 0.848 7.976 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.618 3.147 8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.449 1.585 10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.866 3.114 11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.160 5.102 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.140 5.095 10.646 1.00 0.00 H new ATOM 45 N VAL A 4 -12.934 -1.597 6.794 1.00 0.00 N ATOM 46 CA VAL A 4 -11.579 -2.129 6.886 1.00 0.00 C ATOM 47 C VAL A 4 -11.241 -2.996 5.676 1.00 0.00 C ATOM 48 O VAL A 4 -10.162 -2.874 5.097 1.00 0.00 O ATOM 49 CB VAL A 4 -11.390 -2.964 8.166 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.927 -3.339 8.348 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.910 -2.209 9.379 1.00 0.00 C ATOM 0 H VAL A 4 -13.599 -2.021 7.441 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.906 -1.272 6.914 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.967 -3.883 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.813 -3.929 9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.592 -3.924 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.326 -2.433 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.768 -2.815 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.364 -1.271 9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.971 -1.998 9.249 1.00 0.00 H new ATOM 61 N LYS A 5 -12.170 -3.870 5.295 1.00 0.00 N ATOM 62 CA LYS A 5 -11.960 -4.748 4.149 1.00 0.00 C ATOM 63 C LYS A 5 -11.831 -3.930 2.871 1.00 0.00 C ATOM 64 O LYS A 5 -10.966 -4.195 2.037 1.00 0.00 O ATOM 65 CB LYS A 5 -13.110 -5.753 4.022 1.00 0.00 C ATOM 66 CG LYS A 5 -13.159 -6.465 2.677 1.00 0.00 C ATOM 67 CD LYS A 5 -11.841 -7.151 2.358 1.00 0.00 C ATOM 68 CE LYS A 5 -11.937 -8.658 2.540 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.602 -9.312 2.472 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.070 -3.988 5.761 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.034 -5.301 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.019 -6.497 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.054 -5.232 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.961 -7.203 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.395 -5.746 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.552 -6.925 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.058 -6.755 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.401 -8.879 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.586 -9.076 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.711 -10.338 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.170 -9.123 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.991 -8.932 3.223 1.00 0.00 H new ATOM 83 N ALA A 6 -12.684 -2.923 2.732 1.00 0.00 N ATOM 84 CA ALA A 6 -12.652 -2.053 1.565 1.00 0.00 C ATOM 85 C ALA A 6 -11.273 -1.425 1.421 1.00 0.00 C ATOM 86 O ALA A 6 -10.780 -1.218 0.314 1.00 0.00 O ATOM 87 CB ALA A 6 -13.723 -0.979 1.677 1.00 0.00 C ATOM 0 H ALA A 6 -13.406 -2.689 3.413 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.857 -2.647 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.687 -0.336 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.704 -1.449 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.546 -0.381 2.571 1.00 0.00 H new ATOM 93 N LEU A 7 -10.661 -1.132 2.562 1.00 0.00 N ATOM 94 CA LEU A 7 -9.334 -0.534 2.604 1.00 0.00 C ATOM 95 C LEU A 7 -8.315 -1.422 1.897 1.00 0.00 C ATOM 96 O LEU A 7 -7.432 -0.934 1.193 1.00 0.00 O ATOM 97 CB LEU A 7 -8.920 -0.334 4.062 1.00 0.00 C ATOM 98 CG LEU A 7 -8.205 0.978 4.368 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.922 1.091 3.558 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.121 2.161 4.093 1.00 0.00 C ATOM 0 H LEU A 7 -11.070 -1.302 3.481 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.365 0.427 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.811 -0.396 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.269 -1.159 4.353 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.941 0.988 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.427 2.034 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.260 0.262 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.159 1.058 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.594 3.089 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.417 2.156 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.009 2.087 4.721 1.00 0.00 H new ATOM 112 N GLU A 8 -8.444 -2.727 2.099 1.00 0.00 N ATOM 113 CA GLU A 8 -7.534 -3.697 1.495 1.00 0.00 C ATOM 114 C GLU A 8 -7.687 -3.739 -0.028 1.00 0.00 C ATOM 115 O GLU A 8 -6.725 -4.006 -0.749 1.00 0.00 O ATOM 116 CB GLU A 8 -7.778 -5.090 2.097 1.00 0.00 C ATOM 117 CG GLU A 8 -8.794 -5.936 1.339 1.00 0.00 C ATOM 118 CD GLU A 8 -8.152 -6.794 0.266 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.411 -7.734 0.622 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.390 -6.526 -0.930 1.00 0.00 O ATOM 0 H GLU A 8 -9.173 -3.142 2.679 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.513 -3.385 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.831 -5.628 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.117 -4.973 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.325 -6.577 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.536 -5.282 0.881 1.00 0.00 H new ATOM 127 N GLU A 9 -8.900 -3.492 -0.508 1.00 0.00 N ATOM 128 CA GLU A 9 -9.182 -3.521 -1.941 1.00 0.00 C ATOM 129 C GLU A 9 -8.473 -2.391 -2.687 1.00 0.00 C ATOM 130 O GLU A 9 -8.014 -2.575 -3.813 1.00 0.00 O ATOM 131 CB GLU A 9 -10.689 -3.433 -2.182 1.00 0.00 C ATOM 132 CG GLU A 9 -11.417 -4.751 -1.971 1.00 0.00 C ATOM 133 CD GLU A 9 -11.211 -5.721 -3.117 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.963 -5.634 -4.110 1.00 0.00 O ATOM 135 OE2 GLU A 9 -10.298 -6.568 -3.021 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.707 -3.269 0.075 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.801 -4.466 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.112 -2.683 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.866 -3.089 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.070 -5.209 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.483 -4.558 -1.851 1.00 0.00 H new ATOM 142 N LYS A 10 -8.401 -1.220 -2.062 1.00 0.00 N ATOM 143 CA LYS A 10 -7.761 -0.060 -2.679 1.00 0.00 C ATOM 144 C LYS A 10 -6.242 -0.210 -2.728 1.00 0.00 C ATOM 145 O LYS A 10 -5.595 0.260 -3.662 1.00 0.00 O ATOM 146 CB LYS A 10 -8.138 1.219 -1.925 1.00 0.00 C ATOM 147 CG LYS A 10 -7.707 1.224 -0.466 1.00 0.00 C ATOM 148 CD LYS A 10 -7.349 2.626 0.004 1.00 0.00 C ATOM 149 CE LYS A 10 -8.442 3.222 0.878 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.038 4.441 0.267 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.777 -1.048 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.122 0.006 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.687 2.073 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.219 1.353 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.511 0.825 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.848 0.565 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.413 2.595 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.183 3.269 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.223 2.479 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.030 3.471 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.778 4.817 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.298 5.160 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.454 4.199 -0.655 1.00 0.00 H new ATOM 164 N VAL A 11 -5.679 -0.847 -1.708 1.00 0.00 N ATOM 165 CA VAL A 11 -4.234 -1.041 -1.620 1.00 0.00 C ATOM 166 C VAL A 11 -3.693 -1.892 -2.770 1.00 0.00 C ATOM 167 O VAL A 11 -2.657 -1.571 -3.353 1.00 0.00 O ATOM 168 CB VAL A 11 -3.851 -1.708 -0.284 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.340 -1.768 -0.123 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.492 -0.971 0.884 1.00 0.00 C ATOM 0 H VAL A 11 -6.203 -1.240 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.786 -0.049 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.229 -2.730 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.094 -2.243 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.910 -2.347 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.932 -0.757 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.211 -1.456 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.149 0.063 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.576 -0.992 0.776 1.00 0.00 H new ATOM 180 N LYS A 12 -4.385 -2.980 -3.079 1.00 0.00 N ATOM 181 CA LYS A 12 -3.962 -3.883 -4.146 1.00 0.00 C ATOM 182 C LYS A 12 -4.114 -3.240 -5.514 1.00 0.00 C ATOM 183 O LYS A 12 -3.273 -3.428 -6.393 1.00 0.00 O ATOM 184 CB LYS A 12 -4.752 -5.190 -4.094 1.00 0.00 C ATOM 185 CG LYS A 12 -4.094 -6.321 -4.867 1.00 0.00 C ATOM 186 CD LYS A 12 -4.520 -7.678 -4.335 1.00 0.00 C ATOM 187 CE LYS A 12 -4.041 -8.805 -5.234 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.771 -10.053 -4.467 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.244 -3.261 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.906 -4.100 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.873 -5.492 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.751 -5.019 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.357 -6.243 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.010 -6.227 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.120 -7.818 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.606 -7.713 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.793 -9.004 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.134 -8.495 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.446 -10.797 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.035 -9.871 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.643 -10.364 -3.992 1.00 0.00 H new ATOM 202 N ALA A 13 -5.182 -2.476 -5.694 1.00 0.00 N ATOM 203 CA ALA A 13 -5.419 -1.810 -6.964 1.00 0.00 C ATOM 204 C ALA A 13 -4.226 -0.936 -7.316 1.00 0.00 C ATOM 205 O ALA A 13 -3.841 -0.824 -8.479 1.00 0.00 O ATOM 206 CB ALA A 13 -6.693 -0.980 -6.903 1.00 0.00 C ATOM 0 H ALA A 13 -5.892 -2.304 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.545 -2.564 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.854 -0.489 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.540 -1.629 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.599 -0.226 -6.121 1.00 0.00 H new ATOM 212 N LEU A 14 -3.629 -0.339 -6.290 1.00 0.00 N ATOM 213 CA LEU A 14 -2.454 0.502 -6.478 1.00 0.00 C ATOM 214 C LEU A 14 -1.246 -0.349 -6.848 1.00 0.00 C ATOM 215 O LEU A 14 -0.353 0.099 -7.556 1.00 0.00 O ATOM 216 CB LEU A 14 -2.154 1.308 -5.215 1.00 0.00 C ATOM 217 CG LEU A 14 -1.495 2.665 -5.466 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.886 3.657 -4.384 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.019 2.519 -5.544 1.00 0.00 C ATOM 0 H LEU A 14 -3.939 -0.422 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.663 1.197 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.085 1.466 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.504 0.717 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.850 3.048 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.407 4.616 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.968 3.785 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.563 3.282 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.470 3.495 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.394 2.113 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.278 1.845 -6.360 1.00 0.00 H new ATOM 231 N GLU A 15 -1.230 -1.578 -6.343 1.00 0.00 N ATOM 232 CA GLU A 15 -0.138 -2.512 -6.592 1.00 0.00 C ATOM 233 C GLU A 15 0.152 -2.677 -8.085 1.00 0.00 C ATOM 234 O GLU A 15 1.305 -2.800 -8.493 1.00 0.00 O ATOM 235 CB GLU A 15 -0.479 -3.871 -5.985 1.00 0.00 C ATOM 236 CG GLU A 15 0.692 -4.833 -5.960 1.00 0.00 C ATOM 237 CD GLU A 15 0.364 -6.174 -6.585 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.482 -6.900 -6.024 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.954 -6.499 -7.637 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.971 -1.954 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 15 0.758 -2.103 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.841 -3.725 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.295 -4.319 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.534 -4.387 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.009 -4.986 -4.928 1.00 0.00 H new ATOM 246 N GLU A 16 -0.904 -2.701 -8.883 1.00 0.00 N ATOM 247 CA GLU A 16 -0.781 -2.877 -10.330 1.00 0.00 C ATOM 248 C GLU A 16 -0.080 -1.693 -10.983 1.00 0.00 C ATOM 249 O GLU A 16 0.651 -1.857 -11.958 1.00 0.00 O ATOM 250 CB GLU A 16 -2.164 -3.082 -10.958 1.00 0.00 C ATOM 251 CG GLU A 16 -3.019 -1.824 -10.993 1.00 0.00 C ATOM 252 CD GLU A 16 -3.091 -1.206 -12.375 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.201 -1.498 -13.203 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.036 -0.431 -12.631 1.00 0.00 O ATOM 0 H GLU A 16 -1.864 -2.600 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.171 -3.763 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.039 -3.452 -11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.694 -3.854 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.027 -2.064 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.613 -1.094 -10.293 1.00 0.00 H new ATOM 261 N LYS A 17 -0.302 -0.504 -10.440 1.00 0.00 N ATOM 262 CA LYS A 17 0.314 0.701 -10.975 1.00 0.00 C ATOM 263 C LYS A 17 1.819 0.705 -10.706 1.00 0.00 C ATOM 264 O LYS A 17 2.595 1.275 -11.471 1.00 0.00 O ATOM 265 CB LYS A 17 -0.352 1.958 -10.392 1.00 0.00 C ATOM 266 CG LYS A 17 0.089 2.312 -8.978 1.00 0.00 C ATOM 267 CD LYS A 17 0.602 3.740 -8.896 1.00 0.00 C ATOM 268 CE LYS A 17 1.863 3.927 -9.722 1.00 0.00 C ATOM 269 NZ LYS A 17 2.213 5.365 -9.885 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.903 -0.349 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 17 0.164 0.710 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.139 2.803 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.433 1.816 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.749 2.185 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.871 1.624 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.169 4.425 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.806 3.995 -7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.691 3.404 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.724 3.474 -10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.925 5.466 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.361 5.903 -10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.598 5.732 -8.991 1.00 0.00 H new ATOM 283 N VAL A 18 2.219 0.071 -9.605 1.00 0.00 N ATOM 284 CA VAL A 18 3.627 0.009 -9.223 1.00 0.00 C ATOM 285 C VAL A 18 4.440 -0.834 -10.202 1.00 0.00 C ATOM 286 O VAL A 18 5.521 -0.432 -10.630 1.00 0.00 O ATOM 287 CB VAL A 18 3.795 -0.570 -7.806 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.237 -0.434 -7.340 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.847 0.114 -6.832 1.00 0.00 C ATOM 0 H VAL A 18 1.587 -0.407 -8.962 1.00 0.00 H new ATOM 0 HA VAL A 18 4.000 1.033 -9.243 1.00 0.00 H new ATOM 0 HB VAL A 18 3.545 -1.631 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.336 -0.849 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.892 -0.975 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.517 0.619 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.981 -0.309 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.062 1.182 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.818 -0.041 -7.157 1.00 0.00 H new ATOM 299 N LYS A 19 3.917 -2.003 -10.552 1.00 0.00 N ATOM 300 CA LYS A 19 4.599 -2.897 -11.480 1.00 0.00 C ATOM 301 C LYS A 19 4.593 -2.325 -12.895 1.00 0.00 C ATOM 302 O LYS A 19 5.432 -2.681 -13.722 1.00 0.00 O ATOM 303 CB LYS A 19 3.936 -4.276 -11.473 1.00 0.00 C ATOM 304 CG LYS A 19 2.455 -4.241 -11.812 1.00 0.00 C ATOM 305 CD LYS A 19 1.990 -5.558 -12.414 1.00 0.00 C ATOM 306 CE LYS A 19 1.633 -6.569 -11.336 1.00 0.00 C ATOM 307 NZ LYS A 19 2.692 -7.603 -11.172 1.00 0.00 N1+ ATOM 0 H LYS A 19 3.023 -2.354 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 19 5.634 -2.996 -11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.449 -4.920 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.064 -4.727 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.879 -4.028 -10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.260 -3.430 -12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.123 -5.382 -13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.775 -5.966 -13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.481 -6.051 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.690 -7.053 -11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.411 -8.273 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.820 -8.114 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.586 -7.145 -10.905 1.00 0.00 H new ATOM 321 N ALA A 20 3.637 -1.443 -13.165 1.00 0.00 N ATOM 322 CA ALA A 20 3.513 -0.826 -14.479 1.00 0.00 C ATOM 323 C ALA A 20 4.337 0.459 -14.580 1.00 0.00 C ATOM 324 O ALA A 20 4.513 1.004 -15.670 1.00 0.00 O ATOM 325 CB ALA A 20 2.050 -0.544 -14.783 1.00 0.00 C ATOM 0 H ALA A 20 2.936 -1.139 -12.489 1.00 0.00 H new ATOM 0 HA ALA A 20 3.906 -1.525 -15.217 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.965 -0.083 -15.767 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.489 -1.479 -14.771 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.645 0.132 -14.029 1.00 0.00 H new ATOM 331 N LEU A 21 4.839 0.940 -13.446 1.00 0.00 N ATOM 332 CA LEU A 21 5.638 2.161 -13.426 1.00 0.00 C ATOM 333 C LEU A 21 7.039 1.907 -13.979 1.00 0.00 C ATOM 334 O LEU A 21 7.653 2.795 -14.571 1.00 0.00 O ATOM 335 CB LEU A 21 5.721 2.725 -12.002 1.00 0.00 C ATOM 336 CG LEU A 21 6.785 2.090 -11.101 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.112 2.821 -11.250 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.330 2.097 -9.647 1.00 0.00 C ATOM 0 H LEU A 21 4.707 0.505 -12.533 1.00 0.00 H new ATOM 0 HA LEU A 21 5.148 2.896 -14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.915 3.796 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.748 2.605 -11.525 1.00 0.00 H new ATOM 0 HG LEU A 21 6.925 1.054 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.857 2.358 -10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.445 2.763 -12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.986 3.866 -10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.099 1.642 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.161 3.124 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.404 1.530 -9.553 1.00 0.00 H new ATOM 350 N GLY A 22 7.536 0.690 -13.781 1.00 0.00 N ATOM 351 CA GLY A 22 8.860 0.343 -14.265 1.00 0.00 C ATOM 352 C GLY A 22 9.264 -1.068 -13.890 1.00 0.00 C ATOM 353 O GLY A 22 8.419 -1.889 -13.533 1.00 0.00 O ATOM 0 H GLY A 22 7.046 -0.061 -13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.886 0.449 -15.350 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.587 1.046 -13.859 1.00 0.00 H new ATOM 357 N GLY A 23 10.560 -1.352 -13.971 1.00 0.00 N ATOM 358 CA GLY A 23 11.053 -2.675 -13.635 1.00 0.00 C ATOM 359 C GLY A 23 12.544 -2.685 -13.358 1.00 0.00 C ATOM 360 O GLY A 23 13.353 -2.726 -14.285 1.00 0.00 O ATOM 0 H GLY A 23 11.278 -0.689 -14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.521 -3.046 -12.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.834 -3.360 -14.454 1.00 0.00 H new ATOM 364 N GLY A 24 12.907 -2.649 -12.080 1.00 0.00 N ATOM 365 CA GLY A 24 14.309 -2.655 -11.707 1.00 0.00 C ATOM 366 C GLY A 24 14.510 -2.834 -10.214 1.00 0.00 C ATOM 367 O GLY A 24 13.650 -3.385 -9.528 1.00 0.00 O ATOM 0 H GLY A 24 12.255 -2.616 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.820 -3.458 -12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.770 -1.719 -12.023 1.00 0.00 H new ATOM 371 N GLY A 25 15.648 -2.366 -9.712 1.00 0.00 N ATOM 372 CA GLY A 25 15.939 -2.486 -8.296 1.00 0.00 C ATOM 373 C GLY A 25 15.107 -1.540 -7.451 1.00 0.00 C ATOM 374 O GLY A 25 14.845 -1.813 -6.279 1.00 0.00 O ATOM 0 H GLY A 25 16.374 -1.906 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.755 -3.512 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.997 -2.284 -8.127 1.00 0.00 H new ATOM 378 N ARG A 26 14.692 -0.426 -8.046 1.00 0.00 N ATOM 379 CA ARG A 26 13.886 0.563 -7.340 1.00 0.00 C ATOM 380 C ARG A 26 12.405 0.195 -7.387 1.00 0.00 C ATOM 381 O ARG A 26 11.706 0.290 -6.385 1.00 0.00 O ATOM 382 CB ARG A 26 14.098 1.953 -7.947 1.00 0.00 C ATOM 383 CG ARG A 26 13.141 3.008 -7.410 1.00 0.00 C ATOM 384 CD ARG A 26 13.459 4.388 -7.964 1.00 0.00 C ATOM 385 NE ARG A 26 13.442 5.410 -6.921 1.00 0.00 N ATOM 386 CZ ARG A 26 14.394 5.546 -6.000 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.439 4.727 -5.990 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 14.300 6.503 -5.087 1.00 0.00 N ATOM 0 H ARG A 26 14.901 -0.186 -9.015 1.00 0.00 H new ATOM 0 HA ARG A 26 14.205 0.576 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.122 2.272 -7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.984 1.888 -9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.118 2.738 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.197 3.031 -6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.439 4.371 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.734 4.645 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 26 12.654 6.058 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.515 3.989 -6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.165 4.836 -5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.499 7.134 -5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.029 6.608 -4.381 1.00 0.00 H new ATOM 402 N ILE A 27 11.939 -0.208 -8.563 1.00 0.00 N ATOM 403 CA ILE A 27 10.539 -0.583 -8.753 1.00 0.00 C ATOM 404 C ILE A 27 10.181 -1.863 -7.995 1.00 0.00 C ATOM 405 O ILE A 27 9.131 -1.945 -7.362 1.00 0.00 O ATOM 406 CB ILE A 27 10.193 -0.787 -10.246 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.000 0.160 -11.140 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.702 -0.587 -10.475 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.971 1.602 -10.686 1.00 0.00 C ATOM 0 H ILE A 27 12.511 -0.284 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 27 9.956 0.248 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 27 10.459 -1.809 -10.515 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.035 -0.180 -11.172 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.613 0.101 -12.157 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.473 -0.734 -11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.142 -1.308 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.421 0.424 -10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.564 2.210 -11.369 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.942 1.961 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.386 1.675 -9.681 1.00 0.00 H new ATOM 421 N GLU A 28 11.049 -2.867 -8.094 1.00 0.00 N ATOM 422 CA GLU A 28 10.820 -4.163 -7.449 1.00 0.00 C ATOM 423 C GLU A 28 10.750 -4.054 -5.926 1.00 0.00 C ATOM 424 O GLU A 28 9.935 -4.717 -5.287 1.00 0.00 O ATOM 425 CB GLU A 28 11.923 -5.145 -7.844 1.00 0.00 C ATOM 426 CG GLU A 28 11.769 -5.703 -9.249 1.00 0.00 C ATOM 427 CD GLU A 28 10.406 -6.322 -9.483 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.138 -7.401 -8.913 1.00 0.00 O ATOM 429 OE2 GLU A 28 9.606 -5.730 -10.237 1.00 0.00 O1- ATOM 0 H GLU A 28 11.923 -2.810 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 28 9.853 -4.527 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.888 -4.645 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.933 -5.971 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.931 -4.904 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.540 -6.453 -9.425 1.00 0.00 H new ATOM 436 N GLU A 29 11.615 -3.236 -5.347 1.00 0.00 N ATOM 437 CA GLU A 29 11.654 -3.064 -3.898 1.00 0.00 C ATOM 438 C GLU A 29 10.397 -2.370 -3.378 1.00 0.00 C ATOM 439 O GLU A 29 9.893 -2.694 -2.303 1.00 0.00 O ATOM 440 CB GLU A 29 12.894 -2.265 -3.493 1.00 0.00 C ATOM 441 CG GLU A 29 12.948 -0.873 -4.101 1.00 0.00 C ATOM 442 CD GLU A 29 14.072 -0.031 -3.531 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.062 -0.615 -3.042 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.962 1.213 -3.573 1.00 0.00 O ATOM 0 H GLU A 29 12.301 -2.679 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 29 11.699 -4.057 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.921 -2.179 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.785 -2.817 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.073 -0.957 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.997 -0.368 -3.929 1.00 0.00 H new ATOM 451 N LEU A 30 9.915 -1.398 -4.139 1.00 0.00 N ATOM 452 CA LEU A 30 8.742 -0.623 -3.767 1.00 0.00 C ATOM 453 C LEU A 30 7.508 -1.504 -3.571 1.00 0.00 C ATOM 454 O LEU A 30 6.786 -1.363 -2.583 1.00 0.00 O ATOM 455 CB LEU A 30 8.475 0.409 -4.861 1.00 0.00 C ATOM 456 CG LEU A 30 8.203 1.831 -4.376 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.474 2.452 -3.817 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.652 2.674 -5.515 1.00 0.00 C ATOM 0 H LEU A 30 10.327 -1.125 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 30 8.940 -0.133 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.334 0.431 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.620 0.075 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 30 7.460 1.795 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.264 3.466 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.833 1.854 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.237 2.482 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.461 3.686 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.377 2.706 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.722 2.235 -5.876 1.00 0.00 H new ATOM 470 N LYS A 31 7.268 -2.408 -4.514 1.00 0.00 N ATOM 471 CA LYS A 31 6.116 -3.305 -4.434 1.00 0.00 C ATOM 472 C LYS A 31 6.241 -4.275 -3.268 1.00 0.00 C ATOM 473 O LYS A 31 5.244 -4.643 -2.654 1.00 0.00 O ATOM 474 CB LYS A 31 5.890 -4.071 -5.740 1.00 0.00 C ATOM 475 CG LYS A 31 7.147 -4.308 -6.562 1.00 0.00 C ATOM 476 CD LYS A 31 6.895 -5.284 -7.700 1.00 0.00 C ATOM 477 CE LYS A 31 7.578 -6.619 -7.453 1.00 0.00 C ATOM 478 NZ LYS A 31 6.849 -7.439 -6.446 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.851 -2.541 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 31 5.245 -2.673 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.438 -5.035 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.172 -3.521 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.502 -3.360 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.936 -4.695 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.822 -5.439 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.258 -4.856 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.645 -7.171 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.598 -6.447 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.347 -8.341 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.807 -6.924 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.883 -7.626 -6.784 1.00 0.00 H new ATOM 492 N LYS A 32 7.468 -4.696 -2.971 1.00 0.00 N ATOM 493 CA LYS A 32 7.703 -5.634 -1.879 1.00 0.00 C ATOM 494 C LYS A 32 7.141 -5.078 -0.575 1.00 0.00 C ATOM 495 O LYS A 32 6.545 -5.806 0.218 1.00 0.00 O ATOM 496 CB LYS A 32 9.199 -5.915 -1.728 1.00 0.00 C ATOM 497 CG LYS A 32 9.779 -6.745 -2.863 1.00 0.00 C ATOM 498 CD LYS A 32 11.298 -6.729 -2.846 1.00 0.00 C ATOM 499 CE LYS A 32 11.864 -7.986 -2.202 1.00 0.00 C ATOM 500 NZ LYS A 32 12.570 -7.688 -0.926 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.309 -4.404 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 32 7.194 -6.569 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.735 -4.967 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.370 -6.434 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.424 -7.772 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.421 -6.359 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.673 -6.641 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.647 -5.852 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.056 -8.692 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.554 -8.469 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.940 -8.571 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.358 -7.034 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.906 -7.250 -0.256 1.00 0.00 H new ATOM 514 N LYS A 33 7.316 -3.778 -0.375 1.00 0.00 N ATOM 515 CA LYS A 33 6.807 -3.115 0.817 1.00 0.00 C ATOM 516 C LYS A 33 5.282 -3.151 0.821 1.00 0.00 C ATOM 517 O LYS A 33 4.652 -3.275 1.871 1.00 0.00 O ATOM 518 CB LYS A 33 7.299 -1.668 0.875 1.00 0.00 C ATOM 519 CG LYS A 33 6.775 -0.894 2.074 1.00 0.00 C ATOM 520 CD LYS A 33 7.790 0.128 2.563 1.00 0.00 C ATOM 521 CE LYS A 33 7.626 1.461 1.852 1.00 0.00 C ATOM 522 NZ LYS A 33 8.489 2.518 2.445 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.807 -3.162 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 33 7.178 -3.642 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.389 -1.664 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.999 -1.154 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.848 -0.388 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.537 -1.587 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.675 0.271 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.798 -0.252 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.872 1.342 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.583 1.773 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.347 3.411 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.238 2.650 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.486 2.232 2.373 1.00 0.00 H new ATOM 536 N TYR A 34 4.699 -3.038 -0.370 1.00 0.00 N ATOM 537 CA TYR A 34 3.249 -3.052 -0.526 1.00 0.00 C ATOM 538 C TYR A 34 2.638 -4.323 0.060 1.00 0.00 C ATOM 539 O TYR A 34 1.561 -4.282 0.648 1.00 0.00 O ATOM 540 CB TYR A 34 2.870 -2.913 -2.005 1.00 0.00 C ATOM 541 CG TYR A 34 2.031 -1.692 -2.294 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.760 -1.555 -1.753 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.514 -0.672 -3.104 1.00 0.00 C ATOM 544 CE1 TYR A 34 -0.007 -0.436 -2.012 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.753 0.451 -3.364 1.00 0.00 C ATOM 546 CZ TYR A 34 0.494 0.562 -2.816 1.00 0.00 C ATOM 547 OH TYR A 34 -0.266 1.679 -3.067 1.00 0.00 O ATOM 0 H TYR A 34 5.213 -2.935 -1.245 1.00 0.00 H new ATOM 0 HA TYR A 34 2.846 -2.202 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.780 -2.870 -2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.324 -3.803 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.365 -2.336 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.500 -0.758 -3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.995 -0.345 -1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.143 1.237 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 34 0.272 2.483 -2.911 1.00 0.00 H new ATOM 557 N GLU A 35 3.326 -5.449 -0.101 1.00 0.00 N ATOM 558 CA GLU A 35 2.838 -6.723 0.421 1.00 0.00 C ATOM 559 C GLU A 35 2.556 -6.618 1.918 1.00 0.00 C ATOM 560 O GLU A 35 1.531 -7.095 2.404 1.00 0.00 O ATOM 561 CB GLU A 35 3.860 -7.832 0.158 1.00 0.00 C ATOM 562 CG GLU A 35 3.790 -8.403 -1.249 1.00 0.00 C ATOM 563 CD GLU A 35 2.769 -9.516 -1.377 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.393 -10.098 -0.338 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 2.347 -9.806 -2.516 1.00 0.00 O ATOM 0 H GLU A 35 4.221 -5.506 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 35 1.909 -6.969 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.862 -7.440 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.703 -8.637 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.542 -7.605 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.772 -8.782 -1.533 1.00 0.00 H new ATOM 572 N GLU A 36 3.473 -5.980 2.635 1.00 0.00 N ATOM 573 CA GLU A 36 3.334 -5.793 4.075 1.00 0.00 C ATOM 574 C GLU A 36 2.080 -4.987 4.398 1.00 0.00 C ATOM 575 O GLU A 36 1.405 -5.240 5.394 1.00 0.00 O ATOM 576 CB GLU A 36 4.569 -5.087 4.641 1.00 0.00 C ATOM 577 CG GLU A 36 4.936 -5.536 6.047 1.00 0.00 C ATOM 578 CD GLU A 36 6.388 -5.955 6.167 1.00 0.00 C ATOM 579 OE1 GLU A 36 7.244 -5.323 5.513 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.670 -6.916 6.914 1.00 0.00 O ATOM 0 H GLU A 36 4.325 -5.581 2.241 1.00 0.00 H new ATOM 0 HA GLU A 36 3.243 -6.776 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.416 -5.267 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.392 -4.012 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.737 -4.724 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.296 -6.370 6.336 1.00 0.00 H new ATOM 587 N LEU A 37 1.787 -4.005 3.553 1.00 0.00 N ATOM 588 CA LEU A 37 0.627 -3.140 3.740 1.00 0.00 C ATOM 589 C LEU A 37 -0.674 -3.944 3.774 1.00 0.00 C ATOM 590 O LEU A 37 -1.589 -3.630 4.537 1.00 0.00 O ATOM 591 CB LEU A 37 0.568 -2.106 2.608 1.00 0.00 C ATOM 592 CG LEU A 37 1.054 -0.700 2.967 1.00 0.00 C ATOM 593 CD1 LEU A 37 0.765 0.267 1.829 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.405 -0.218 4.258 1.00 0.00 C ATOM 0 H LEU A 37 2.342 -3.787 2.725 1.00 0.00 H new ATOM 0 HA LEU A 37 0.734 -2.634 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.164 -2.474 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.462 -2.036 2.258 1.00 0.00 H new ATOM 0 HG LEU A 37 2.132 -0.739 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.116 1.263 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.280 -0.067 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.308 0.299 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.765 0.783 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.678 -0.195 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.663 -0.897 5.071 1.00 0.00 H new ATOM 606 N LYS A 38 -0.753 -4.974 2.939 1.00 0.00 N ATOM 607 CA LYS A 38 -1.944 -5.817 2.863 1.00 0.00 C ATOM 608 C LYS A 38 -2.175 -6.586 4.162 1.00 0.00 C ATOM 609 O LYS A 38 -3.311 -6.751 4.598 1.00 0.00 O ATOM 610 CB LYS A 38 -1.822 -6.799 1.697 1.00 0.00 C ATOM 611 CG LYS A 38 -1.665 -6.122 0.345 1.00 0.00 C ATOM 612 CD LYS A 38 -0.755 -6.920 -0.577 1.00 0.00 C ATOM 613 CE LYS A 38 -1.430 -7.222 -1.905 1.00 0.00 C ATOM 614 NZ LYS A 38 -1.484 -6.026 -2.791 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.004 -5.247 2.302 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.800 -5.162 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.965 -7.450 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.707 -7.435 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.644 -6.005 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.257 -5.121 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.164 -6.362 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.472 -7.854 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.891 -8.023 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.442 -7.584 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.157 -6.285 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.462 -5.677 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.871 -5.280 -2.405 1.00 0.00 H new ATOM 628 N LYS A 39 -1.093 -7.073 4.757 1.00 0.00 N ATOM 629 CA LYS A 39 -1.167 -7.848 5.994 1.00 0.00 C ATOM 630 C LYS A 39 -1.740 -7.036 7.157 1.00 0.00 C ATOM 631 O LYS A 39 -2.466 -7.571 7.992 1.00 0.00 O ATOM 632 CB LYS A 39 0.222 -8.370 6.368 1.00 0.00 C ATOM 633 CG LYS A 39 0.568 -9.700 5.718 1.00 0.00 C ATOM 634 CD LYS A 39 1.546 -9.521 4.566 1.00 0.00 C ATOM 635 CE LYS A 39 1.712 -10.805 3.770 1.00 0.00 C ATOM 636 NZ LYS A 39 0.935 -10.775 2.499 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.146 -6.945 4.401 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.844 -8.683 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.969 -7.630 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.281 -8.478 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.000 -10.368 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.342 -10.175 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.193 -8.727 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.514 -9.205 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.768 -10.960 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.387 -11.652 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.503 -11.707 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.188 -10.054 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.570 -10.543 1.709 1.00 0.00 H new ATOM 650 N LYS A 40 -1.391 -5.756 7.222 1.00 0.00 N ATOM 651 CA LYS A 40 -1.851 -4.883 8.302 1.00 0.00 C ATOM 652 C LYS A 40 -3.370 -4.739 8.314 1.00 0.00 C ATOM 653 O LYS A 40 -3.990 -4.669 9.375 1.00 0.00 O ATOM 654 CB LYS A 40 -1.207 -3.504 8.170 1.00 0.00 C ATOM 655 CG LYS A 40 -0.852 -2.874 9.503 1.00 0.00 C ATOM 656 CD LYS A 40 -0.053 -1.594 9.321 1.00 0.00 C ATOM 657 CE LYS A 40 -0.963 -0.386 9.174 1.00 0.00 C ATOM 658 NZ LYS A 40 -0.329 0.856 9.698 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.789 -5.296 6.539 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.552 -5.344 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.304 -3.589 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.888 -2.843 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.765 -2.658 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.276 -3.582 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.608 -1.451 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.582 -1.682 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.216 -0.248 8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.897 -0.569 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.857 1.685 9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.342 0.840 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.655 0.911 9.365 1.00 0.00 H new ATOM 672 N ILE A 41 -3.958 -4.685 7.133 1.00 0.00 N ATOM 673 CA ILE A 41 -5.402 -4.537 6.992 1.00 0.00 C ATOM 674 C ILE A 41 -6.124 -5.815 7.403 1.00 0.00 C ATOM 675 O ILE A 41 -7.220 -5.774 7.962 1.00 0.00 O ATOM 676 CB ILE A 41 -5.782 -4.177 5.543 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.984 -2.956 5.078 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.277 -3.914 5.428 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.972 -2.779 3.576 1.00 0.00 C ATOM 0 H ILE A 41 -3.455 -4.742 6.247 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.712 -3.726 7.651 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.536 -5.022 4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.403 -2.061 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.958 -3.046 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.524 -3.662 4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.827 -4.807 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.552 -3.085 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.389 -1.895 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.525 -3.657 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.994 -2.657 3.216 1.00 0.00 H new ATOM 691 N GLU A 42 -5.495 -6.945 7.117 1.00 0.00 N ATOM 692 CA GLU A 42 -6.052 -8.247 7.444 1.00 0.00 C ATOM 693 C GLU A 42 -6.200 -8.416 8.953 1.00 0.00 C ATOM 694 O GLU A 42 -7.122 -9.081 9.425 1.00 0.00 O ATOM 695 CB GLU A 42 -5.164 -9.357 6.875 1.00 0.00 C ATOM 696 CG GLU A 42 -5.723 -9.996 5.614 1.00 0.00 C ATOM 697 CD GLU A 42 -5.083 -11.336 5.306 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.568 -11.978 6.247 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.098 -11.743 4.126 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.587 -6.985 6.653 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.043 -8.316 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.178 -8.947 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.029 -10.128 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.799 -10.128 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.570 -9.322 4.771 1.00 0.00 H new ATOM 706 N GLU A 43 -5.279 -7.822 9.705 1.00 0.00 N ATOM 707 CA GLU A 43 -5.306 -7.925 11.161 1.00 0.00 C ATOM 708 C GLU A 43 -6.292 -6.930 11.772 1.00 0.00 C ATOM 709 O GLU A 43 -6.820 -7.157 12.860 1.00 0.00 O ATOM 710 CB GLU A 43 -3.901 -7.708 11.735 1.00 0.00 C ATOM 711 CG GLU A 43 -3.527 -6.246 11.925 1.00 0.00 C ATOM 712 CD GLU A 43 -2.084 -5.958 11.559 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.299 -6.921 11.430 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -1.738 -4.769 11.401 1.00 0.00 O ATOM 0 H GLU A 43 -4.508 -7.267 9.333 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.643 -8.929 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.830 -8.218 12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.173 -8.175 11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.183 -5.625 11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.697 -5.964 12.964 1.00 0.00 H new ATOM 721 N LEU A 44 -6.534 -5.830 11.068 1.00 0.00 N ATOM 722 CA LEU A 44 -7.456 -4.805 11.548 1.00 0.00 C ATOM 723 C LEU A 44 -8.847 -5.388 11.778 1.00 0.00 C ATOM 724 O LEU A 44 -9.633 -5.534 10.843 1.00 0.00 O ATOM 725 CB LEU A 44 -7.528 -3.646 10.552 1.00 0.00 C ATOM 726 CG LEU A 44 -6.750 -2.395 10.959 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.311 -1.614 9.730 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.592 -1.521 11.877 1.00 0.00 C ATOM 0 H LEU A 44 -6.106 -5.625 10.165 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.080 -4.430 12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.153 -3.991 9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.574 -3.374 10.409 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.858 -2.706 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.759 -0.727 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.671 -2.241 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.188 -1.313 9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.023 -0.634 12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.502 -1.219 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.855 -2.082 12.774 1.00 0.00 H new ATOM 740 N GLY A 45 -9.144 -5.718 13.032 1.00 0.00 N ATOM 741 CA GLY A 45 -10.440 -6.281 13.363 1.00 0.00 C ATOM 742 C GLY A 45 -11.551 -5.251 13.305 1.00 0.00 C ATOM 743 O GLY A 45 -12.576 -5.469 12.660 1.00 0.00 O ATOM 0 H GLY A 45 -8.511 -5.605 13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.666 -7.094 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.401 -6.713 14.363 1.00 0.00 H new ATOM 747 N GLY A 46 -11.348 -4.125 13.982 1.00 0.00 N ATOM 748 CA GLY A 46 -12.350 -3.075 13.992 1.00 0.00 C ATOM 749 C GLY A 46 -11.832 -1.772 13.416 1.00 0.00 C ATOM 750 O GLY A 46 -10.793 -1.746 12.759 1.00 0.00 O ATOM 0 H GLY A 46 -10.508 -3.921 14.523 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.219 -3.401 13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.686 -2.908 15.015 1.00 0.00 H new ATOM 754 N GLY A 47 -12.561 -0.688 13.664 1.00 0.00 N ATOM 755 CA GLY A 47 -12.156 0.609 13.159 1.00 0.00 C ATOM 756 C GLY A 47 -11.169 1.305 14.075 1.00 0.00 C ATOM 757 O GLY A 47 -10.931 0.858 15.197 1.00 0.00 O ATOM 0 H GLY A 47 -13.425 -0.686 14.206 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.708 0.488 12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.037 1.238 13.034 1.00 0.00 H new ATOM 761 N GLY A 48 -10.592 2.403 13.594 1.00 0.00 N ATOM 762 CA GLY A 48 -9.632 3.145 14.390 1.00 0.00 C ATOM 763 C GLY A 48 -8.268 3.219 13.732 1.00 0.00 C ATOM 764 O GLY A 48 -7.835 4.288 13.304 1.00 0.00 O ATOM 0 H GLY A 48 -10.772 2.791 12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.007 4.155 14.557 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.535 2.675 15.369 1.00 0.00 H new ATOM 768 N GLU A 49 -7.591 2.078 13.651 1.00 0.00 N ATOM 769 CA GLU A 49 -6.267 2.015 13.042 1.00 0.00 C ATOM 770 C GLU A 49 -6.355 2.000 11.516 1.00 0.00 C ATOM 771 O GLU A 49 -5.336 2.083 10.830 1.00 0.00 O ATOM 772 CB GLU A 49 -5.517 0.774 13.531 1.00 0.00 C ATOM 773 CG GLU A 49 -4.112 0.651 12.967 1.00 0.00 C ATOM 774 CD GLU A 49 -3.289 -0.406 13.678 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.445 -0.550 14.909 1.00 0.00 O ATOM 776 OE2 GLU A 49 -2.490 -1.088 13.003 1.00 0.00 O1- ATOM 0 H GLU A 49 -7.938 1.184 14.000 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.721 2.909 13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.462 0.799 14.619 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.087 -0.115 13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.170 0.408 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.607 1.614 13.046 1.00 0.00 H new ATOM 783 N VAL A 50 -7.573 1.893 10.986 1.00 0.00 N ATOM 784 CA VAL A 50 -7.775 1.867 9.542 1.00 0.00 C ATOM 785 C VAL A 50 -7.183 3.107 8.881 1.00 0.00 C ATOM 786 O VAL A 50 -6.701 3.048 7.749 1.00 0.00 O ATOM 787 CB VAL A 50 -9.271 1.774 9.185 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.834 0.421 9.595 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.048 2.904 9.840 1.00 0.00 C ATOM 0 H VAL A 50 -8.430 1.823 11.534 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.264 0.980 9.168 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.375 1.873 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.892 0.373 9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.296 -0.370 9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.718 0.290 10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.102 2.821 9.576 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.939 2.841 10.923 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.661 3.862 9.492 1.00 0.00 H new ATOM 799 N LYS A 51 -7.218 4.228 9.594 1.00 0.00 N ATOM 800 CA LYS A 51 -6.682 5.481 9.076 1.00 0.00 C ATOM 801 C LYS A 51 -5.161 5.416 8.972 1.00 0.00 C ATOM 802 O LYS A 51 -4.563 6.014 8.078 1.00 0.00 O ATOM 803 CB LYS A 51 -7.093 6.648 9.974 1.00 0.00 C ATOM 804 CG LYS A 51 -8.578 6.672 10.300 1.00 0.00 C ATOM 805 CD LYS A 51 -9.428 6.745 9.040 1.00 0.00 C ATOM 806 CE LYS A 51 -10.256 8.020 8.998 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.624 7.777 8.464 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.612 4.294 10.532 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.093 5.639 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.526 6.597 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.822 7.584 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.841 5.778 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.797 7.529 10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.783 6.700 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.089 5.879 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.327 8.440 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.751 8.761 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.156 8.671 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.557 7.401 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.116 7.090 9.070 1.00 0.00 H new ATOM 821 N LYS A 52 -4.545 4.684 9.894 1.00 0.00 N ATOM 822 CA LYS A 52 -3.094 4.533 9.912 1.00 0.00 C ATOM 823 C LYS A 52 -2.610 3.787 8.673 1.00 0.00 C ATOM 824 O LYS A 52 -1.523 4.049 8.162 1.00 0.00 O ATOM 825 CB LYS A 52 -2.654 3.790 11.175 1.00 0.00 C ATOM 826 CG LYS A 52 -2.501 4.691 12.389 1.00 0.00 C ATOM 827 CD LYS A 52 -1.037 4.945 12.716 1.00 0.00 C ATOM 828 CE LYS A 52 -0.802 6.387 13.138 1.00 0.00 C ATOM 829 NZ LYS A 52 -1.313 7.355 12.128 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.029 4.185 10.640 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.649 5.528 9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.382 3.011 11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.704 3.292 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.003 5.641 12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.992 4.233 13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.720 4.275 13.515 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.423 4.715 11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.292 6.569 14.095 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.265 6.551 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.585 8.072 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.544 6.850 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.168 7.821 12.495 1.00 0.00 H new ATOM 843 N VAL A 53 -3.425 2.850 8.202 1.00 0.00 N ATOM 844 CA VAL A 53 -3.088 2.056 7.027 1.00 0.00 C ATOM 845 C VAL A 53 -3.146 2.887 5.750 1.00 0.00 C ATOM 846 O VAL A 53 -2.326 2.712 4.855 1.00 0.00 O ATOM 847 CB VAL A 53 -4.031 0.846 6.878 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.550 -0.076 5.767 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.148 0.094 8.196 1.00 0.00 C ATOM 0 H VAL A 53 -4.328 2.621 8.618 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.067 1.703 7.175 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.021 1.212 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.229 -0.924 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.527 0.471 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.548 -0.437 6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.818 -0.757 8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.164 -0.261 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.547 0.760 8.961 1.00 0.00 H new ATOM 859 N GLU A 54 -4.129 3.777 5.662 1.00 0.00 N ATOM 860 CA GLU A 54 -4.297 4.622 4.479 1.00 0.00 C ATOM 861 C GLU A 54 -3.079 5.518 4.247 1.00 0.00 C ATOM 862 O GLU A 54 -2.653 5.716 3.111 1.00 0.00 O ATOM 863 CB GLU A 54 -5.554 5.482 4.620 1.00 0.00 C ATOM 864 CG GLU A 54 -6.845 4.680 4.611 1.00 0.00 C ATOM 865 CD GLU A 54 -7.990 5.423 3.954 1.00 0.00 C ATOM 866 OE1 GLU A 54 -7.816 5.887 2.807 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -9.060 5.544 4.587 1.00 0.00 O ATOM 0 H GLU A 54 -4.822 3.934 6.394 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.400 3.964 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.494 6.048 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.581 6.207 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.680 3.739 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.120 4.430 5.636 1.00 0.00 H new ATOM 874 N GLU A 55 -2.531 6.061 5.327 1.00 0.00 N ATOM 875 CA GLU A 55 -1.367 6.943 5.241 1.00 0.00 C ATOM 876 C GLU A 55 -0.115 6.175 4.821 1.00 0.00 C ATOM 877 O GLU A 55 0.734 6.697 4.098 1.00 0.00 O ATOM 878 CB GLU A 55 -1.126 7.640 6.582 1.00 0.00 C ATOM 879 CG GLU A 55 -0.988 6.682 7.753 1.00 0.00 C ATOM 880 CD GLU A 55 -0.495 7.368 9.011 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.238 8.211 9.558 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 0.633 7.062 9.452 1.00 0.00 O ATOM 0 H GLU A 55 -2.873 5.907 6.276 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.576 7.694 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.222 8.244 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.951 8.324 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.953 6.216 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.297 5.883 7.485 1.00 0.00 H new ATOM 889 N GLU A 56 -0.002 4.942 5.297 1.00 0.00 N ATOM 890 CA GLU A 56 1.151 4.097 4.998 1.00 0.00 C ATOM 891 C GLU A 56 1.320 3.885 3.494 1.00 0.00 C ATOM 892 O GLU A 56 2.426 3.996 2.964 1.00 0.00 O ATOM 893 CB GLU A 56 0.986 2.746 5.696 1.00 0.00 C ATOM 894 CG GLU A 56 1.743 2.642 7.007 1.00 0.00 C ATOM 895 CD GLU A 56 3.247 2.653 6.816 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.792 3.719 6.458 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.880 1.598 7.026 1.00 0.00 O ATOM 0 H GLU A 56 -0.699 4.501 5.896 1.00 0.00 H new ATOM 0 HA GLU A 56 2.045 4.601 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.073 2.570 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.327 1.957 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.457 3.471 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.452 1.724 7.518 1.00 0.00 H new ATOM 904 N VAL A 57 0.224 3.578 2.815 1.00 0.00 N ATOM 905 CA VAL A 57 0.251 3.348 1.377 1.00 0.00 C ATOM 906 C VAL A 57 0.581 4.633 0.621 1.00 0.00 C ATOM 907 O VAL A 57 1.256 4.604 -0.406 1.00 0.00 O ATOM 908 CB VAL A 57 -1.087 2.763 0.867 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.114 3.860 0.609 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.859 1.931 -0.385 1.00 0.00 C ATOM 0 H VAL A 57 -0.699 3.482 3.239 1.00 0.00 H new ATOM 0 HA VAL A 57 1.036 2.617 1.186 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.488 2.116 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.042 3.413 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.306 4.404 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.730 4.549 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.810 1.526 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.426 2.558 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.177 1.111 -0.158 1.00 0.00 H new ATOM 920 N LYS A 58 0.094 5.757 1.137 1.00 0.00 N ATOM 921 CA LYS A 58 0.328 7.057 0.515 1.00 0.00 C ATOM 922 C LYS A 58 1.820 7.308 0.319 1.00 0.00 C ATOM 923 O LYS A 58 2.230 7.952 -0.644 1.00 0.00 O ATOM 924 CB LYS A 58 -0.282 8.171 1.371 1.00 0.00 C ATOM 925 CG LYS A 58 -1.209 9.096 0.598 1.00 0.00 C ATOM 926 CD LYS A 58 -0.596 10.475 0.414 1.00 0.00 C ATOM 927 CE LYS A 58 -0.690 11.301 1.686 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.889 12.748 1.397 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.467 5.794 1.988 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.151 7.055 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.836 7.722 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.522 8.761 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.428 8.661 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.158 9.186 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.449 10.374 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.105 10.995 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.517 10.936 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.220 11.170 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.948 13.276 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.088 13.104 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.770 12.877 0.860 1.00 0.00 H new ATOM 942 N LYS A 59 2.628 6.801 1.241 1.00 0.00 N ATOM 943 CA LYS A 59 4.076 6.969 1.166 1.00 0.00 C ATOM 944 C LYS A 59 4.664 6.183 -0.008 1.00 0.00 C ATOM 945 O LYS A 59 5.606 6.633 -0.660 1.00 0.00 O ATOM 946 CB LYS A 59 4.743 6.517 2.473 1.00 0.00 C ATOM 947 CG LYS A 59 3.922 6.799 3.725 1.00 0.00 C ATOM 948 CD LYS A 59 3.443 8.243 3.777 1.00 0.00 C ATOM 949 CE LYS A 59 4.106 9.010 4.910 1.00 0.00 C ATOM 950 NZ LYS A 59 5.466 9.490 4.535 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.307 6.270 2.050 1.00 0.00 H new ATOM 0 HA LYS A 59 4.275 8.029 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.940 5.447 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.708 7.015 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.062 6.130 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.522 6.584 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.660 8.734 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.361 8.264 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.484 9.861 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.177 8.370 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.884 10.008 5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.068 8.676 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.396 10.122 3.712 1.00 0.00 H new ATOM 964 N LEU A 60 4.115 4.996 -0.252 1.00 0.00 N ATOM 965 CA LEU A 60 4.590 4.120 -1.323 1.00 0.00 C ATOM 966 C LEU A 60 4.475 4.770 -2.704 1.00 0.00 C ATOM 967 O LEU A 60 5.406 4.700 -3.506 1.00 0.00 O ATOM 968 CB LEU A 60 3.794 2.814 -1.299 1.00 0.00 C ATOM 969 CG LEU A 60 4.609 1.541 -1.534 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.056 1.454 -2.985 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.807 1.489 -0.597 1.00 0.00 C ATOM 0 H LEU A 60 3.334 4.615 0.282 1.00 0.00 H new ATOM 0 HA LEU A 60 5.648 3.925 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.294 2.731 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.014 2.870 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 60 3.973 0.682 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.634 0.542 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.181 1.439 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.673 2.319 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.373 0.576 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.446 2.354 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.461 1.500 0.437 1.00 0.00 H new ATOM 983 N GLU A 61 3.336 5.392 -2.980 1.00 0.00 N ATOM 984 CA GLU A 61 3.115 6.038 -4.271 1.00 0.00 C ATOM 985 C GLU A 61 4.002 7.268 -4.427 1.00 0.00 C ATOM 986 O GLU A 61 4.446 7.589 -5.528 1.00 0.00 O ATOM 987 CB GLU A 61 1.643 6.422 -4.445 1.00 0.00 C ATOM 988 CG GLU A 61 1.081 7.246 -3.300 1.00 0.00 C ATOM 989 CD GLU A 61 1.098 8.735 -3.588 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.132 9.233 -4.081 1.00 0.00 O ATOM 991 OE2 GLU A 61 0.078 9.403 -3.321 1.00 0.00 O1- ATOM 0 H GLU A 61 2.552 5.464 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 61 3.381 5.322 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.532 6.984 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.051 5.513 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.057 6.931 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.659 7.048 -2.397 1.00 0.00 H new ATOM 998 N GLU A 62 4.256 7.955 -3.318 1.00 0.00 N ATOM 999 CA GLU A 62 5.090 9.153 -3.328 1.00 0.00 C ATOM 1000 C GLU A 62 6.448 8.863 -3.956 1.00 0.00 C ATOM 1001 O GLU A 62 6.939 9.634 -4.781 1.00 0.00 O ATOM 1002 CB GLU A 62 5.274 9.685 -1.905 1.00 0.00 C ATOM 1003 CG GLU A 62 4.289 10.781 -1.533 1.00 0.00 C ATOM 1004 CD GLU A 62 4.622 12.111 -2.181 1.00 0.00 C ATOM 1005 OE1 GLU A 62 5.784 12.291 -2.603 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.722 12.971 -2.266 1.00 0.00 O ATOM 0 H GLU A 62 3.895 7.702 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 62 4.587 9.911 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.169 8.859 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.289 10.068 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.285 10.478 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.278 10.902 -0.450 1.00 0.00 H new ATOM 1013 N GLU A 63 7.048 7.745 -3.564 1.00 0.00 N ATOM 1014 CA GLU A 63 8.347 7.350 -4.094 1.00 0.00 C ATOM 1015 C GLU A 63 8.255 7.109 -5.595 1.00 0.00 C ATOM 1016 O GLU A 63 9.206 7.357 -6.336 1.00 0.00 O ATOM 1017 CB GLU A 63 8.850 6.086 -3.394 1.00 0.00 C ATOM 1018 CG GLU A 63 8.741 6.142 -1.880 1.00 0.00 C ATOM 1019 CD GLU A 63 9.508 7.306 -1.284 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.061 8.460 -1.451 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.556 7.063 -0.649 1.00 0.00 O ATOM 0 H GLU A 63 6.656 7.097 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 63 9.053 8.159 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.283 5.229 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.892 5.919 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.691 6.220 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.116 5.210 -1.457 1.00 0.00 H new ATOM 1028 N ILE A 64 7.099 6.625 -6.035 1.00 0.00 N ATOM 1029 CA ILE A 64 6.875 6.348 -7.451 1.00 0.00 C ATOM 1030 C ILE A 64 6.995 7.621 -8.287 1.00 0.00 C ATOM 1031 O ILE A 64 7.429 7.579 -9.438 1.00 0.00 O ATOM 1032 CB ILE A 64 5.487 5.716 -7.690 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.303 4.483 -6.805 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.312 5.348 -9.157 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.943 3.834 -6.949 1.00 0.00 C ATOM 0 H ILE A 64 6.302 6.416 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 64 7.644 5.640 -7.760 1.00 0.00 H new ATOM 0 HB ILE A 64 4.725 6.449 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.073 3.752 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.453 4.767 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.328 4.904 -9.306 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.402 6.245 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.081 4.632 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.883 2.966 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.168 4.550 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.798 3.518 -7.982 1.00 0.00 H new ATOM 1047 N LYS A 65 6.606 8.750 -7.703 1.00 0.00 N ATOM 1048 CA LYS A 65 6.670 10.030 -8.399 1.00 0.00 C ATOM 1049 C LYS A 65 8.113 10.504 -8.539 1.00 0.00 C ATOM 1050 O LYS A 65 8.504 11.038 -9.576 1.00 0.00 O ATOM 1051 CB LYS A 65 5.846 11.081 -7.652 1.00 0.00 C ATOM 1052 CG LYS A 65 4.346 10.865 -7.759 1.00 0.00 C ATOM 1053 CD LYS A 65 3.889 10.829 -9.209 1.00 0.00 C ATOM 1054 CE LYS A 65 2.373 10.812 -9.316 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.823 12.159 -9.634 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.244 8.804 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 65 6.254 9.893 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.132 11.074 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.091 12.068 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.076 9.930 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.824 11.664 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.282 11.698 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.299 9.946 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.072 10.105 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.947 10.458 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.786 12.104 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.089 12.828 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.209 12.486 -10.542 1.00 0.00 H new ATOM 1069 N LYS A 66 8.900 10.303 -7.487 1.00 0.00 N ATOM 1070 CA LYS A 66 10.300 10.709 -7.492 1.00 0.00 C ATOM 1071 C LYS A 66 11.081 9.964 -8.571 1.00 0.00 C ATOM 1072 O LYS A 66 12.100 10.452 -9.060 1.00 0.00 O ATOM 1073 CB LYS A 66 10.930 10.453 -6.123 1.00 0.00 C ATOM 1074 CG LYS A 66 10.440 11.402 -5.041 1.00 0.00 C ATOM 1075 CD LYS A 66 11.590 11.935 -4.201 1.00 0.00 C ATOM 1076 CE LYS A 66 11.119 12.998 -3.222 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.222 13.916 -2.824 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.592 9.862 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 66 10.342 11.776 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.716 9.428 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.013 10.541 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.908 12.235 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.728 10.885 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.053 11.114 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.355 12.354 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.312 13.575 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.709 12.517 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.859 14.626 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.982 13.370 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.597 14.395 -3.668 1.00 0.00 H new ATOM 1091 N LEU A 67 10.598 8.780 -8.936 1.00 0.00 N ATOM 1092 CA LEU A 67 11.256 7.971 -9.955 1.00 0.00 C ATOM 1093 C LEU A 67 10.531 8.085 -11.294 1.00 0.00 C ATOM 1094 O LEU A 67 9.289 8.211 -11.285 1.00 0.00 O ATOM 1095 CB LEU A 67 11.324 6.506 -9.506 1.00 0.00 C ATOM 1096 CG LEU A 67 10.080 5.663 -9.797 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.121 5.123 -11.219 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.964 4.526 -8.793 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.213 8.049 -12.339 1.00 0.00 O ATOM 0 H LEU A 67 9.756 8.361 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 67 12.271 8.346 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.180 6.036 -9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.513 6.483 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 67 9.200 6.299 -9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.229 4.526 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.157 5.954 -11.923 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.007 4.501 -11.347 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.075 3.936 -9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.847 3.890 -8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.887 4.936 -7.786 1.00 0.00 H new TER 1111 LEU A 67