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+ -114:sc= 0.0564 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.0116 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= 0.141 (180deg=-0.343) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -4:sc= -10! USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= -0.109 (180deg=-1.44!) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.101) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.524 (180deg=-1.64!) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0393) 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 -17.025 -7.782 7.132 1.00 0.00 N ATOM 2 CA GLY A 1 -16.315 -6.479 7.006 1.00 0.00 C ATOM 3 C GLY A 1 -16.934 -5.580 5.954 1.00 0.00 C ATOM 4 O GLY A 1 -17.648 -6.051 5.069 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.476 -7.843 8.067 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.752 -7.854 6.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.344 -8.560 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.327 -5.968 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.270 -6.661 6.755 1.00 0.00 H new ATOM 10 N SER A 2 -16.662 -4.283 6.051 1.00 0.00 N ATOM 11 CA SER A 2 -17.198 -3.316 5.101 1.00 0.00 C ATOM 12 C SER A 2 -16.222 -2.165 4.886 1.00 0.00 C ATOM 13 O SER A 2 -15.819 -1.881 3.757 1.00 0.00 O ATOM 14 CB SER A 2 -18.542 -2.776 5.594 1.00 0.00 C ATOM 15 OG SER A 2 -19.621 -3.517 5.051 1.00 0.00 O ATOM 0 H SER A 2 -16.073 -3.877 6.778 1.00 0.00 H new ATOM 0 HA SER A 2 -17.346 -3.825 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.578 -2.821 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.640 -1.727 5.314 1.00 0.00 H new ATOM 0 HG SER A 2 -19.341 -4.445 4.909 1.00 0.00 H new ATOM 21 N ARG A 3 -15.844 -1.504 5.975 1.00 0.00 N ATOM 22 CA ARG A 3 -14.914 -0.383 5.905 1.00 0.00 C ATOM 23 C ARG A 3 -13.471 -0.873 5.834 1.00 0.00 C ATOM 24 O ARG A 3 -12.652 -0.315 5.102 1.00 0.00 O ATOM 25 CB ARG A 3 -15.096 0.536 7.115 1.00 0.00 C ATOM 26 CG ARG A 3 -14.847 -0.151 8.448 1.00 0.00 C ATOM 27 CD ARG A 3 -13.430 0.087 8.941 1.00 0.00 C ATOM 28 NE ARG A 3 -13.180 1.497 9.229 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.706 2.147 10.265 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.509 1.517 11.114 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.427 3.429 10.453 1.00 0.00 N ATOM 0 H ARG A 3 -16.167 -1.725 6.917 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.131 0.178 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.418 1.384 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.110 0.936 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.557 0.219 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.022 -1.222 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.255 -0.503 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.721 -0.261 8.189 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.566 2.014 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.726 0.530 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.909 2.020 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.810 3.917 9.804 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.830 3.928 11.247 1.00 0.00 H new ATOM 45 N VAL A 4 -13.166 -1.917 6.596 1.00 0.00 N ATOM 46 CA VAL A 4 -11.821 -2.481 6.615 1.00 0.00 C ATOM 47 C VAL A 4 -11.520 -3.227 5.321 1.00 0.00 C ATOM 48 O VAL A 4 -10.447 -3.069 4.739 1.00 0.00 O ATOM 49 CB VAL A 4 -11.630 -3.440 7.806 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.183 -3.898 7.897 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.069 -2.776 9.101 1.00 0.00 C ATOM 0 H VAL A 4 -13.831 -2.390 7.208 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.129 -1.645 6.718 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.255 -4.319 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.068 -4.574 8.744 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.907 -4.416 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.535 -3.032 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.927 -3.468 9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.473 -1.879 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.122 -2.504 9.032 1.00 0.00 H new ATOM 61 N LYS A 5 -12.473 -4.039 4.871 1.00 0.00 N ATOM 62 CA LYS A 5 -12.299 -4.802 3.640 1.00 0.00 C ATOM 63 C LYS A 5 -12.096 -3.862 2.458 1.00 0.00 C ATOM 64 O LYS A 5 -11.218 -4.078 1.627 1.00 0.00 O ATOM 65 CB LYS A 5 -13.508 -5.708 3.392 1.00 0.00 C ATOM 66 CG LYS A 5 -13.571 -6.274 1.980 1.00 0.00 C ATOM 67 CD LYS A 5 -12.298 -7.024 1.622 1.00 0.00 C ATOM 68 CE LYS A 5 -12.536 -8.523 1.543 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.578 -9.152 2.892 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.368 -4.185 5.338 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.413 -5.428 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.484 -6.533 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.420 -5.144 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.426 -6.945 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.729 -5.463 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.920 -6.664 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.530 -6.816 2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.475 -8.714 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.745 -8.985 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.742 -10.174 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.673 -8.992 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.349 -8.730 3.448 1.00 0.00 H new ATOM 83 N ALA A 6 -12.906 -2.812 2.397 1.00 0.00 N ATOM 84 CA ALA A 6 -12.805 -1.833 1.324 1.00 0.00 C ATOM 85 C ALA A 6 -11.400 -1.247 1.279 1.00 0.00 C ATOM 86 O ALA A 6 -10.865 -0.961 0.209 1.00 0.00 O ATOM 87 CB ALA A 6 -13.839 -0.735 1.509 1.00 0.00 C ATOM 0 H ALA A 6 -13.640 -2.617 3.078 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.003 -2.331 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.750 -0.011 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.838 -1.171 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.671 -0.234 2.463 1.00 0.00 H new ATOM 93 N LEU A 7 -10.812 -1.083 2.457 1.00 0.00 N ATOM 94 CA LEU A 7 -9.464 -0.543 2.584 1.00 0.00 C ATOM 95 C LEU A 7 -8.460 -1.406 1.827 1.00 0.00 C ATOM 96 O LEU A 7 -7.549 -0.896 1.178 1.00 0.00 O ATOM 97 CB LEU A 7 -9.078 -0.479 4.061 1.00 0.00 C ATOM 98 CG LEU A 7 -8.205 0.708 4.459 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.814 0.573 3.859 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.852 2.016 4.027 1.00 0.00 C ATOM 0 H LEU A 7 -11.252 -1.319 3.346 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.449 0.459 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.990 -0.453 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.553 -1.398 4.322 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.110 0.716 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.206 1.428 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.349 -0.344 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.888 0.538 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.215 2.851 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.980 2.019 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.825 2.117 4.507 1.00 0.00 H new ATOM 112 N GLU A 8 -8.632 -2.717 1.930 1.00 0.00 N ATOM 113 CA GLU A 8 -7.744 -3.666 1.268 1.00 0.00 C ATOM 114 C GLU A 8 -7.851 -3.566 -0.256 1.00 0.00 C ATOM 115 O GLU A 8 -6.880 -3.811 -0.971 1.00 0.00 O ATOM 116 CB GLU A 8 -8.056 -5.096 1.737 1.00 0.00 C ATOM 117 CG GLU A 8 -9.036 -5.853 0.849 1.00 0.00 C ATOM 118 CD GLU A 8 -8.357 -6.519 -0.331 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.207 -6.979 -0.172 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.974 -6.579 -1.416 1.00 0.00 O ATOM 0 H GLU A 8 -9.382 -3.150 2.468 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.719 -3.417 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.124 -5.659 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.460 -5.053 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.549 -6.609 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.797 -5.164 0.484 1.00 0.00 H new ATOM 127 N GLU A 9 -9.039 -3.225 -0.743 1.00 0.00 N ATOM 128 CA GLU A 9 -9.281 -3.113 -2.180 1.00 0.00 C ATOM 129 C GLU A 9 -8.510 -1.951 -2.808 1.00 0.00 C ATOM 130 O GLU A 9 -8.034 -2.057 -3.937 1.00 0.00 O ATOM 131 CB GLU A 9 -10.776 -2.943 -2.448 1.00 0.00 C ATOM 132 CG GLU A 9 -11.608 -4.154 -2.057 1.00 0.00 C ATOM 133 CD GLU A 9 -12.809 -4.351 -2.960 1.00 0.00 C ATOM 134 OE1 GLU A 9 -13.785 -3.582 -2.827 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -12.775 -5.275 -3.801 1.00 0.00 O ATOM 0 H GLU A 9 -9.853 -3.020 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.923 -4.034 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.138 -2.073 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.925 -2.738 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.983 -5.046 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.947 -4.040 -1.027 1.00 0.00 H new ATOM 142 N LYS A 10 -8.412 -0.839 -2.087 1.00 0.00 N ATOM 143 CA LYS A 10 -7.720 0.346 -2.594 1.00 0.00 C ATOM 144 C LYS A 10 -6.204 0.153 -2.628 1.00 0.00 C ATOM 145 O LYS A 10 -5.527 0.665 -3.520 1.00 0.00 O ATOM 146 CB LYS A 10 -8.072 1.567 -1.738 1.00 0.00 C ATOM 147 CG LYS A 10 -7.707 1.412 -0.271 1.00 0.00 C ATOM 148 CD LYS A 10 -7.530 2.763 0.403 1.00 0.00 C ATOM 149 CE LYS A 10 -8.869 3.382 0.771 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.706 4.689 1.464 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.802 -0.731 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.055 0.508 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.560 2.441 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.142 1.760 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.486 0.847 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.786 0.836 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.923 2.646 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.988 3.435 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.464 3.522 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.421 2.697 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.408 5.365 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.847 4.560 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.749 5.057 1.290 1.00 0.00 H new ATOM 164 N VAL A 11 -5.677 -0.570 -1.650 1.00 0.00 N ATOM 165 CA VAL A 11 -4.240 -0.813 -1.558 1.00 0.00 C ATOM 166 C VAL A 11 -3.727 -1.659 -2.723 1.00 0.00 C ATOM 167 O VAL A 11 -2.644 -1.414 -3.254 1.00 0.00 O ATOM 168 CB VAL A 11 -3.886 -1.518 -0.233 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.379 -1.648 -0.073 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.494 -0.773 0.947 1.00 0.00 C ATOM 0 H VAL A 11 -6.224 -1.001 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.756 0.163 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.308 -2.523 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.155 -2.148 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.974 -2.232 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.926 -0.657 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.234 -1.285 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.106 0.245 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.578 -0.745 0.840 1.00 0.00 H new ATOM 180 N LYS A 12 -4.508 -2.661 -3.106 1.00 0.00 N ATOM 181 CA LYS A 12 -4.140 -3.556 -4.196 1.00 0.00 C ATOM 182 C LYS A 12 -4.183 -2.845 -5.538 1.00 0.00 C ATOM 183 O LYS A 12 -3.344 -3.086 -6.405 1.00 0.00 O ATOM 184 CB LYS A 12 -5.057 -4.777 -4.225 1.00 0.00 C ATOM 185 CG LYS A 12 -4.474 -5.950 -4.993 1.00 0.00 C ATOM 186 CD LYS A 12 -5.133 -7.258 -4.589 1.00 0.00 C ATOM 187 CE LYS A 12 -5.379 -8.155 -5.792 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.183 -8.977 -6.125 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.407 -2.875 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.116 -3.884 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.266 -5.090 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.010 -4.496 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.607 -5.789 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.401 -6.010 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.500 -7.778 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.079 -7.050 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.225 -8.811 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.650 -7.543 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.391 -9.574 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.382 -8.351 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.939 -9.580 -5.314 1.00 0.00 H new ATOM 202 N ALA A 13 -5.162 -1.968 -5.708 1.00 0.00 N ATOM 203 CA ALA A 13 -5.300 -1.230 -6.952 1.00 0.00 C ATOM 204 C ALA A 13 -4.014 -0.477 -7.243 1.00 0.00 C ATOM 205 O ALA A 13 -3.584 -0.375 -8.393 1.00 0.00 O ATOM 206 CB ALA A 13 -6.478 -0.271 -6.877 1.00 0.00 C ATOM 0 H ALA A 13 -5.868 -1.752 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.490 -1.933 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.565 0.273 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.394 -0.833 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.320 0.436 -6.063 1.00 0.00 H new ATOM 212 N LEU A 14 -3.386 0.021 -6.186 1.00 0.00 N ATOM 213 CA LEU A 14 -2.121 0.733 -6.326 1.00 0.00 C ATOM 214 C LEU A 14 -1.008 -0.241 -6.693 1.00 0.00 C ATOM 215 O LEU A 14 -0.054 0.114 -7.374 1.00 0.00 O ATOM 216 CB LEU A 14 -1.761 1.479 -5.043 1.00 0.00 C ATOM 217 CG LEU A 14 -0.877 2.709 -5.255 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.121 3.742 -4.166 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.592 2.308 -5.302 1.00 0.00 C ATOM 0 H LEU A 14 -3.728 -0.054 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.234 1.467 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.681 1.789 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.251 0.792 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.139 3.160 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.482 4.608 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.166 4.052 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.891 3.307 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.207 3.195 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.869 1.831 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.753 1.611 -6.124 1.00 0.00 H new ATOM 231 N GLU A 15 -1.145 -1.475 -6.223 1.00 0.00 N ATOM 232 CA GLU A 15 -0.161 -2.520 -6.481 1.00 0.00 C ATOM 233 C GLU A 15 0.117 -2.680 -7.975 1.00 0.00 C ATOM 234 O GLU A 15 1.251 -2.916 -8.386 1.00 0.00 O ATOM 235 CB GLU A 15 -0.664 -3.845 -5.909 1.00 0.00 C ATOM 236 CG GLU A 15 0.407 -4.911 -5.824 1.00 0.00 C ATOM 237 CD GLU A 15 -0.053 -6.249 -6.371 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.829 -6.939 -5.678 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.363 -6.605 -7.494 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.936 -1.779 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 15 0.772 -2.230 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.072 -3.670 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.482 -4.212 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.287 -4.581 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.710 -5.033 -4.784 1.00 0.00 H new ATOM 246 N GLU A 16 -0.935 -2.568 -8.771 1.00 0.00 N ATOM 247 CA GLU A 16 -0.842 -2.713 -10.224 1.00 0.00 C ATOM 248 C GLU A 16 -0.026 -1.594 -10.854 1.00 0.00 C ATOM 249 O GLU A 16 0.689 -1.816 -11.829 1.00 0.00 O ATOM 250 CB GLU A 16 -2.243 -2.742 -10.840 1.00 0.00 C ATOM 251 CG GLU A 16 -3.172 -3.755 -10.194 1.00 0.00 C ATOM 252 CD GLU A 16 -4.523 -3.826 -10.878 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.404 -3.008 -10.540 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.700 -4.700 -11.753 1.00 0.00 O ATOM 0 H GLU A 16 -1.878 -2.374 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.331 -3.654 -10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.687 -1.750 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.158 -2.966 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.704 -4.739 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.313 -3.496 -9.145 1.00 0.00 H new ATOM 261 N LYS A 17 -0.140 -0.394 -10.303 1.00 0.00 N ATOM 262 CA LYS A 17 0.591 0.752 -10.824 1.00 0.00 C ATOM 263 C LYS A 17 2.093 0.595 -10.590 1.00 0.00 C ATOM 264 O LYS A 17 2.906 1.101 -11.364 1.00 0.00 O ATOM 265 CB LYS A 17 0.072 2.061 -10.209 1.00 0.00 C ATOM 266 CG LYS A 17 0.486 2.290 -8.764 1.00 0.00 C ATOM 267 CD LYS A 17 1.023 3.697 -8.546 1.00 0.00 C ATOM 268 CE LYS A 17 0.051 4.754 -9.047 1.00 0.00 C ATOM 269 NZ LYS A 17 0.058 5.969 -8.185 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.730 -0.189 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 17 0.422 0.797 -11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.428 2.896 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.016 2.068 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.370 2.122 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.248 1.563 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.215 3.853 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.977 3.806 -9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.312 5.032 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.955 4.336 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.618 6.665 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.216 5.709 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.012 6.383 -8.176 1.00 0.00 H new ATOM 283 N VAL A 18 2.454 -0.099 -9.514 1.00 0.00 N ATOM 284 CA VAL A 18 3.862 -0.309 -9.177 1.00 0.00 C ATOM 285 C VAL A 18 4.546 -1.250 -10.165 1.00 0.00 C ATOM 286 O VAL A 18 5.645 -0.970 -10.641 1.00 0.00 O ATOM 287 CB VAL A 18 4.018 -0.879 -7.754 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.482 -0.894 -7.341 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.184 -0.081 -6.764 1.00 0.00 C ATOM 0 H VAL A 18 1.795 -0.525 -8.862 1.00 0.00 H new ATOM 0 HA VAL A 18 4.341 0.669 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 18 3.655 -1.907 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.572 -1.300 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.049 -1.515 -8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.876 0.122 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.307 -0.499 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.513 0.958 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.134 -0.130 -7.051 1.00 0.00 H new ATOM 299 N LYS A 19 3.889 -2.362 -10.478 1.00 0.00 N ATOM 300 CA LYS A 19 4.436 -3.335 -11.418 1.00 0.00 C ATOM 301 C LYS A 19 4.496 -2.745 -12.822 1.00 0.00 C ATOM 302 O LYS A 19 5.277 -3.187 -13.663 1.00 0.00 O ATOM 303 CB LYS A 19 3.590 -4.609 -11.419 1.00 0.00 C ATOM 304 CG LYS A 19 2.164 -4.392 -11.899 1.00 0.00 C ATOM 305 CD LYS A 19 1.689 -5.538 -12.778 1.00 0.00 C ATOM 306 CE LYS A 19 0.816 -5.041 -13.919 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.292 -5.989 -14.224 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.977 -2.612 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 19 5.448 -3.587 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.069 -5.353 -12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.566 -5.020 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.501 -4.293 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.105 -3.457 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.551 -6.069 -13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.129 -6.253 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.400 -4.067 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.428 -4.899 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.864 -5.614 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.105 -6.911 -14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.892 -6.105 -13.382 1.00 0.00 H new ATOM 321 N ALA A 20 3.663 -1.737 -13.061 1.00 0.00 N ATOM 322 CA ALA A 20 3.609 -1.068 -14.351 1.00 0.00 C ATOM 323 C ALA A 20 4.676 0.022 -14.449 1.00 0.00 C ATOM 324 O ALA A 20 4.925 0.565 -15.524 1.00 0.00 O ATOM 325 CB ALA A 20 2.221 -0.484 -14.573 1.00 0.00 C ATOM 0 H ALA A 20 3.012 -1.365 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 20 3.813 -1.802 -15.131 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.187 0.016 -15.541 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.482 -1.285 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.999 0.236 -13.785 1.00 0.00 H new ATOM 331 N LEU A 21 5.303 0.335 -13.316 1.00 0.00 N ATOM 332 CA LEU A 21 6.341 1.356 -13.268 1.00 0.00 C ATOM 333 C LEU A 21 7.600 0.884 -13.991 1.00 0.00 C ATOM 334 O LEU A 21 8.361 1.692 -14.524 1.00 0.00 O ATOM 335 CB LEU A 21 6.674 1.694 -11.810 1.00 0.00 C ATOM 336 CG LEU A 21 6.865 3.182 -11.503 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.630 3.360 -10.200 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.589 3.883 -12.645 1.00 0.00 C ATOM 0 H LEU A 21 5.107 -0.107 -12.418 1.00 0.00 H new ATOM 0 HA LEU A 21 5.969 2.249 -13.770 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.875 1.310 -11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.585 1.164 -11.532 1.00 0.00 H new ATOM 0 HG LEU A 21 5.880 3.637 -11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.758 4.423 -9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.073 2.898 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.608 2.887 -10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.713 4.939 -12.404 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.568 3.426 -12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.005 3.786 -13.560 1.00 0.00 H new ATOM 350 N GLY A 22 7.813 -0.428 -14.003 1.00 0.00 N ATOM 351 CA GLY A 22 8.980 -0.984 -14.662 1.00 0.00 C ATOM 352 C GLY A 22 9.300 -2.386 -14.183 1.00 0.00 C ATOM 353 O GLY A 22 9.008 -3.366 -14.869 1.00 0.00 O ATOM 0 H GLY A 22 7.198 -1.116 -13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.813 -1.000 -15.739 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.838 -0.337 -14.482 1.00 0.00 H new ATOM 357 N GLY A 23 9.900 -2.483 -13.002 1.00 0.00 N ATOM 358 CA GLY A 23 10.248 -3.778 -12.449 1.00 0.00 C ATOM 359 C GLY A 23 11.666 -4.193 -12.790 1.00 0.00 C ATOM 360 O GLY A 23 11.891 -4.943 -13.740 1.00 0.00 O ATOM 0 H GLY A 23 10.152 -1.686 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.132 -3.750 -11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.553 -4.529 -12.825 1.00 0.00 H new ATOM 364 N GLY A 24 12.626 -3.704 -12.011 1.00 0.00 N ATOM 365 CA GLY A 24 14.017 -4.041 -12.250 1.00 0.00 C ATOM 366 C GLY A 24 14.973 -3.067 -11.592 1.00 0.00 C ATOM 367 O GLY A 24 15.794 -2.442 -12.264 1.00 0.00 O ATOM 0 H GLY A 24 12.465 -3.081 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.213 -5.046 -11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.204 -4.058 -13.324 1.00 0.00 H new ATOM 371 N GLY A 25 14.870 -2.936 -10.272 1.00 0.00 N ATOM 372 CA GLY A 25 15.742 -2.030 -9.549 1.00 0.00 C ATOM 373 C GLY A 25 15.059 -1.385 -8.359 1.00 0.00 C ATOM 374 O GLY A 25 14.969 -1.983 -7.287 1.00 0.00 O ATOM 0 H GLY A 25 14.199 -3.441 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.622 -2.575 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.093 -1.252 -10.227 1.00 0.00 H new ATOM 378 N ARG A 26 14.581 -0.159 -8.548 1.00 0.00 N ATOM 379 CA ARG A 26 13.907 0.573 -7.480 1.00 0.00 C ATOM 380 C ARG A 26 12.429 0.206 -7.410 1.00 0.00 C ATOM 381 O ARG A 26 11.835 0.201 -6.335 1.00 0.00 O ATOM 382 CB ARG A 26 14.056 2.081 -7.692 1.00 0.00 C ATOM 383 CG ARG A 26 13.732 2.534 -9.108 1.00 0.00 C ATOM 384 CD ARG A 26 13.657 4.050 -9.209 1.00 0.00 C ATOM 385 NE ARG A 26 14.839 4.699 -8.642 1.00 0.00 N ATOM 386 CZ ARG A 26 15.298 5.886 -9.036 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.681 6.563 -9.997 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.380 6.398 -8.464 1.00 0.00 N ATOM 0 H ARG A 26 14.648 0.349 -9.430 1.00 0.00 H new ATOM 0 HA ARG A 26 14.377 0.294 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.402 2.604 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.078 2.374 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.493 2.161 -9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.782 2.101 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.552 4.338 -10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.766 4.404 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 26 15.342 4.213 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.848 6.175 -10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.040 7.471 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.858 5.883 -7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.734 7.307 -8.764 1.00 0.00 H new ATOM 402 N ILE A 27 11.842 -0.089 -8.563 1.00 0.00 N ATOM 403 CA ILE A 27 10.430 -0.450 -8.642 1.00 0.00 C ATOM 404 C ILE A 27 10.140 -1.791 -7.969 1.00 0.00 C ATOM 405 O ILE A 27 9.099 -1.961 -7.337 1.00 0.00 O ATOM 406 CB ILE A 27 9.955 -0.516 -10.105 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.383 0.743 -10.863 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.445 -0.693 -10.165 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.590 0.533 -11.752 1.00 0.00 C ATOM 0 H ILE A 27 12.324 -0.085 -9.462 1.00 0.00 H new ATOM 0 HA ILE A 27 9.885 0.332 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 27 10.420 -1.378 -10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.549 1.091 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.604 1.532 -10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.125 -0.738 -11.206 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.167 -1.618 -9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.960 0.150 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.836 1.467 -12.258 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.438 0.214 -11.145 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.366 -0.233 -12.494 1.00 0.00 H new ATOM 421 N GLU A 28 11.051 -2.745 -8.130 1.00 0.00 N ATOM 422 CA GLU A 28 10.879 -4.081 -7.557 1.00 0.00 C ATOM 423 C GLU A 28 10.801 -4.047 -6.032 1.00 0.00 C ATOM 424 O GLU A 28 9.938 -4.686 -5.432 1.00 0.00 O ATOM 425 CB GLU A 28 12.030 -4.991 -7.993 1.00 0.00 C ATOM 426 CG GLU A 28 11.984 -5.367 -9.465 1.00 0.00 C ATOM 427 CD GLU A 28 12.138 -6.858 -9.693 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.986 -7.477 -9.017 1.00 0.00 O ATOM 429 OE2 GLU A 28 11.408 -7.408 -10.546 1.00 0.00 O1- ATOM 0 H GLU A 28 11.918 -2.620 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 28 9.933 -4.474 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.976 -4.492 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.010 -5.901 -7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.038 -5.034 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.776 -4.839 -9.996 1.00 0.00 H new ATOM 436 N GLU A 29 11.713 -3.316 -5.410 1.00 0.00 N ATOM 437 CA GLU A 29 11.758 -3.213 -3.954 1.00 0.00 C ATOM 438 C GLU A 29 10.504 -2.543 -3.392 1.00 0.00 C ATOM 439 O GLU A 29 10.010 -2.918 -2.329 1.00 0.00 O ATOM 440 CB GLU A 29 12.999 -2.434 -3.516 1.00 0.00 C ATOM 441 CG GLU A 29 14.274 -2.882 -4.211 1.00 0.00 C ATOM 442 CD GLU A 29 15.520 -2.299 -3.574 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.679 -2.440 -2.343 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 16.338 -1.702 -4.306 1.00 0.00 O ATOM 0 H GLU A 29 12.437 -2.782 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 29 11.804 -4.227 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.841 -1.374 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.125 -2.543 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.333 -3.970 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.235 -2.588 -5.260 1.00 0.00 H new ATOM 451 N LEU A 30 10.016 -1.532 -4.098 1.00 0.00 N ATOM 452 CA LEU A 30 8.848 -0.778 -3.668 1.00 0.00 C ATOM 453 C LEU A 30 7.618 -1.669 -3.481 1.00 0.00 C ATOM 454 O LEU A 30 6.919 -1.566 -2.474 1.00 0.00 O ATOM 455 CB LEU A 30 8.555 0.306 -4.704 1.00 0.00 C ATOM 456 CG LEU A 30 8.266 1.695 -4.137 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.546 2.330 -3.615 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.628 2.579 -5.200 1.00 0.00 C ATOM 0 H LEU A 30 10.417 -1.213 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 30 9.068 -0.333 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.407 0.378 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.700 -0.009 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 30 7.567 1.593 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.324 3.319 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.967 1.705 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.265 2.421 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.428 3.565 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.306 2.676 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.692 2.130 -5.533 1.00 0.00 H new ATOM 470 N LYS A 31 7.356 -2.539 -4.450 1.00 0.00 N ATOM 471 CA LYS A 31 6.205 -3.437 -4.375 1.00 0.00 C ATOM 472 C LYS A 31 6.355 -4.448 -3.247 1.00 0.00 C ATOM 473 O LYS A 31 5.371 -4.837 -2.627 1.00 0.00 O ATOM 474 CB LYS A 31 5.947 -4.159 -5.698 1.00 0.00 C ATOM 475 CG LYS A 31 7.198 -4.490 -6.495 1.00 0.00 C ATOM 476 CD LYS A 31 6.869 -5.314 -7.732 1.00 0.00 C ATOM 477 CE LYS A 31 7.817 -6.491 -7.889 1.00 0.00 C ATOM 478 NZ LYS A 31 7.644 -7.171 -9.201 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.920 -2.643 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 31 5.340 -2.808 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.408 -5.084 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.294 -3.540 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.696 -3.567 -6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.897 -5.040 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.844 -5.678 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.925 -4.681 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.846 -6.144 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.645 -7.206 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.309 -7.968 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.669 -7.525 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.833 -6.496 -9.969 1.00 0.00 H new ATOM 492 N LYS A 32 7.586 -4.880 -2.990 1.00 0.00 N ATOM 493 CA LYS A 32 7.841 -5.858 -1.936 1.00 0.00 C ATOM 494 C LYS A 32 7.306 -5.347 -0.602 1.00 0.00 C ATOM 495 O LYS A 32 6.723 -6.103 0.176 1.00 0.00 O ATOM 496 CB LYS A 32 9.339 -6.142 -1.826 1.00 0.00 C ATOM 497 CG LYS A 32 9.897 -6.926 -3.004 1.00 0.00 C ATOM 498 CD LYS A 32 11.398 -7.130 -2.876 1.00 0.00 C ATOM 499 CE LYS A 32 11.948 -7.941 -4.038 1.00 0.00 C ATOM 500 NZ LYS A 32 13.317 -8.456 -3.755 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.418 -4.571 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 32 7.327 -6.785 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.875 -5.196 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.529 -6.698 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.401 -7.895 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.678 -6.396 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.897 -6.161 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.619 -7.639 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.281 -8.778 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.971 -7.322 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.657 -9.004 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.960 -7.657 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.291 -9.067 -2.914 1.00 0.00 H new ATOM 514 N LYS A 33 7.487 -4.056 -0.360 1.00 0.00 N ATOM 515 CA LYS A 33 7.002 -3.430 0.862 1.00 0.00 C ATOM 516 C LYS A 33 5.477 -3.417 0.874 1.00 0.00 C ATOM 517 O LYS A 33 4.849 -3.553 1.926 1.00 0.00 O ATOM 518 CB LYS A 33 7.538 -2.002 0.981 1.00 0.00 C ATOM 519 CG LYS A 33 7.139 -1.308 2.274 1.00 0.00 C ATOM 520 CD LYS A 33 8.297 -0.521 2.865 1.00 0.00 C ATOM 521 CE LYS A 33 8.513 0.791 2.128 1.00 0.00 C ATOM 522 NZ LYS A 33 9.824 1.409 2.467 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.968 -3.420 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 33 7.360 -4.009 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.626 -2.024 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.176 -1.415 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.301 -0.637 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.796 -2.050 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.102 -0.320 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.207 -1.120 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.461 0.616 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.710 1.484 2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.933 2.301 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.864 1.599 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.592 0.759 2.205 1.00 0.00 H new ATOM 536 N TYR A 34 4.893 -3.241 -0.306 1.00 0.00 N ATOM 537 CA TYR A 34 3.443 -3.193 -0.453 1.00 0.00 C ATOM 538 C TYR A 34 2.779 -4.456 0.096 1.00 0.00 C ATOM 539 O TYR A 34 1.707 -4.385 0.692 1.00 0.00 O ATOM 540 CB TYR A 34 3.063 -2.994 -1.925 1.00 0.00 C ATOM 541 CG TYR A 34 2.230 -1.757 -2.159 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.904 -1.704 -1.752 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.772 -0.638 -2.777 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.141 -0.572 -1.956 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.017 0.499 -2.981 1.00 0.00 C ATOM 546 CZ TYR A 34 0.701 0.527 -2.569 1.00 0.00 C ATOM 547 OH TYR A 34 -0.053 1.661 -2.768 1.00 0.00 O ATOM 0 H TYR A 34 5.406 -3.128 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 34 3.080 -2.345 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.972 -2.931 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.512 -3.867 -2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.462 -2.562 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.801 -0.658 -3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.890 -0.548 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.454 1.362 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.973 1.498 -2.472 1.00 0.00 H new ATOM 557 N GLU A 35 3.414 -5.607 -0.102 1.00 0.00 N ATOM 558 CA GLU A 35 2.871 -6.873 0.382 1.00 0.00 C ATOM 559 C GLU A 35 2.625 -6.809 1.886 1.00 0.00 C ATOM 560 O GLU A 35 1.591 -7.261 2.379 1.00 0.00 O ATOM 561 CB GLU A 35 3.825 -8.023 0.057 1.00 0.00 C ATOM 562 CG GLU A 35 4.280 -8.043 -1.394 1.00 0.00 C ATOM 563 CD GLU A 35 3.675 -9.189 -2.180 1.00 0.00 C ATOM 564 OE1 GLU A 35 4.067 -10.350 -1.934 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 2.810 -8.927 -3.042 1.00 0.00 O ATOM 0 H GLU A 35 4.304 -5.690 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 35 1.921 -7.052 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.700 -7.952 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.334 -8.968 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.010 -7.100 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.367 -8.118 -1.429 1.00 0.00 H new ATOM 572 N GLU A 36 3.581 -6.232 2.605 1.00 0.00 N ATOM 573 CA GLU A 36 3.477 -6.089 4.052 1.00 0.00 C ATOM 574 C GLU A 36 2.226 -5.302 4.426 1.00 0.00 C ATOM 575 O GLU A 36 1.575 -5.589 5.428 1.00 0.00 O ATOM 576 CB GLU A 36 4.719 -5.393 4.611 1.00 0.00 C ATOM 577 CG GLU A 36 4.777 -5.383 6.130 1.00 0.00 C ATOM 578 CD GLU A 36 6.197 -5.467 6.658 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.703 -6.597 6.819 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.800 -4.403 6.910 1.00 0.00 O1- ATOM 0 H GLU A 36 4.441 -5.854 2.207 1.00 0.00 H new ATOM 0 HA GLU A 36 3.405 -7.086 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.609 -5.890 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.744 -4.366 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.308 -4.472 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.198 -6.221 6.518 1.00 0.00 H new ATOM 587 N LEU A 37 1.910 -4.298 3.615 1.00 0.00 N ATOM 588 CA LEU A 37 0.751 -3.445 3.850 1.00 0.00 C ATOM 589 C LEU A 37 -0.543 -4.249 3.889 1.00 0.00 C ATOM 590 O LEU A 37 -1.382 -4.042 4.761 1.00 0.00 O ATOM 591 CB LEU A 37 0.666 -2.391 2.743 1.00 0.00 C ATOM 592 CG LEU A 37 0.834 -0.941 3.190 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.490 -0.375 3.678 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.898 -0.824 4.272 1.00 0.00 C ATOM 0 H LEU A 37 2.446 -4.054 2.782 1.00 0.00 H new ATOM 0 HA LEU A 37 0.875 -2.965 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.430 -2.612 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.300 -2.489 2.248 1.00 0.00 H new ATOM 0 HG LEU A 37 1.162 -0.358 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.350 0.659 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.222 -0.413 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.849 -0.965 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.998 0.219 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.608 -1.424 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.852 -1.183 3.885 1.00 0.00 H new ATOM 606 N LYS A 38 -0.702 -5.157 2.936 1.00 0.00 N ATOM 607 CA LYS A 38 -1.901 -5.988 2.859 1.00 0.00 C ATOM 608 C LYS A 38 -2.139 -6.742 4.166 1.00 0.00 C ATOM 609 O LYS A 38 -3.276 -6.886 4.613 1.00 0.00 O ATOM 610 CB LYS A 38 -1.784 -6.981 1.701 1.00 0.00 C ATOM 611 CG LYS A 38 -1.688 -6.315 0.338 1.00 0.00 C ATOM 612 CD LYS A 38 -2.547 -7.030 -0.694 1.00 0.00 C ATOM 613 CE LYS A 38 -2.902 -6.112 -1.853 1.00 0.00 C ATOM 614 NZ LYS A 38 -1.690 -5.628 -2.571 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.016 -5.339 2.203 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.752 -5.329 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.903 -7.604 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.649 -7.644 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.003 -5.275 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.649 -6.309 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.015 -7.904 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.460 -7.392 -0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.549 -6.643 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.468 -5.258 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.678 -4.588 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.838 -5.984 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.706 -5.974 -3.552 1.00 0.00 H new ATOM 628 N LYS A 39 -1.059 -7.232 4.762 1.00 0.00 N ATOM 629 CA LYS A 39 -1.136 -7.985 6.010 1.00 0.00 C ATOM 630 C LYS A 39 -1.659 -7.127 7.162 1.00 0.00 C ATOM 631 O LYS A 39 -2.392 -7.615 8.018 1.00 0.00 O ATOM 632 CB LYS A 39 0.241 -8.553 6.367 1.00 0.00 C ATOM 633 CG LYS A 39 0.261 -10.070 6.478 1.00 0.00 C ATOM 634 CD LYS A 39 1.471 -10.667 5.777 1.00 0.00 C ATOM 635 CE LYS A 39 2.011 -11.873 6.527 1.00 0.00 C ATOM 636 NZ LYS A 39 0.955 -12.896 6.767 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.112 -7.121 4.399 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.841 -8.802 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.961 -8.242 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.568 -8.123 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.270 -10.358 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.651 -10.479 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.197 -10.960 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.252 -9.912 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.826 -12.319 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.428 -11.550 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.396 -13.780 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.295 -12.550 7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.437 -13.074 5.883 1.00 0.00 H new ATOM 650 N LYS A 40 -1.260 -5.859 7.190 1.00 0.00 N ATOM 651 CA LYS A 40 -1.674 -4.942 8.251 1.00 0.00 C ATOM 652 C LYS A 40 -3.187 -4.725 8.256 1.00 0.00 C ATOM 653 O LYS A 40 -3.810 -4.656 9.315 1.00 0.00 O ATOM 654 CB LYS A 40 -0.953 -3.601 8.092 1.00 0.00 C ATOM 655 CG LYS A 40 -0.168 -3.184 9.326 1.00 0.00 C ATOM 656 CD LYS A 40 1.329 -3.170 9.059 1.00 0.00 C ATOM 657 CE LYS A 40 1.802 -1.795 8.614 1.00 0.00 C ATOM 658 NZ LYS A 40 3.208 -1.531 9.026 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.649 -5.441 6.489 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.402 -5.393 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.273 -3.662 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.686 -2.829 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.490 -2.193 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.386 -3.869 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.864 -3.465 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.570 -3.905 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.721 -1.716 7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.150 -1.032 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.492 -0.584 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.281 -1.581 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.834 -2.244 8.600 1.00 0.00 H new ATOM 672 N ILE A 41 -3.768 -4.619 7.068 1.00 0.00 N ATOM 673 CA ILE A 41 -5.206 -4.410 6.930 1.00 0.00 C ATOM 674 C ILE A 41 -5.971 -5.623 7.438 1.00 0.00 C ATOM 675 O ILE A 41 -7.051 -5.500 8.015 1.00 0.00 O ATOM 676 CB ILE A 41 -5.595 -4.137 5.462 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.770 -2.977 4.901 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.085 -3.839 5.346 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.829 -2.866 3.393 1.00 0.00 C ATOM 0 H ILE A 41 -3.265 -4.674 6.183 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.469 -3.537 7.528 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.380 -5.031 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.124 -2.044 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.731 -3.099 5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.338 -3.649 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.656 -4.694 5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.328 -2.960 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.221 -2.022 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.447 -3.783 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.862 -2.712 3.080 1.00 0.00 H new ATOM 691 N GLU A 42 -5.391 -6.796 7.222 1.00 0.00 N ATOM 692 CA GLU A 42 -5.991 -8.047 7.655 1.00 0.00 C ATOM 693 C GLU A 42 -6.083 -8.103 9.176 1.00 0.00 C ATOM 694 O GLU A 42 -7.011 -8.688 9.733 1.00 0.00 O ATOM 695 CB GLU A 42 -5.173 -9.231 7.131 1.00 0.00 C ATOM 696 CG GLU A 42 -5.942 -10.123 6.171 1.00 0.00 C ATOM 697 CD GLU A 42 -5.687 -11.597 6.413 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.367 -12.182 7.282 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -4.806 -12.167 5.736 1.00 0.00 O ATOM 0 H GLU A 42 -4.496 -6.905 6.744 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.001 -8.105 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.283 -8.853 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.832 -9.829 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.009 -9.922 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.664 -9.873 5.147 1.00 0.00 H new ATOM 706 N GLU A 43 -5.103 -7.498 9.841 1.00 0.00 N ATOM 707 CA GLU A 43 -5.060 -7.487 11.300 1.00 0.00 C ATOM 708 C GLU A 43 -6.199 -6.658 11.886 1.00 0.00 C ATOM 709 O GLU A 43 -6.904 -7.108 12.790 1.00 0.00 O ATOM 710 CB GLU A 43 -3.714 -6.940 11.786 1.00 0.00 C ATOM 711 CG GLU A 43 -2.710 -8.025 12.139 1.00 0.00 C ATOM 712 CD GLU A 43 -2.714 -8.364 13.617 1.00 0.00 C ATOM 713 OE1 GLU A 43 -3.688 -8.995 14.079 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -1.743 -8.000 14.312 1.00 0.00 O ATOM 0 H GLU A 43 -4.328 -7.009 9.393 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.178 -8.515 11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.289 -6.301 11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.881 -6.312 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.934 -8.923 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.711 -7.700 11.847 1.00 0.00 H new ATOM 721 N LEU A 44 -6.372 -5.445 11.373 1.00 0.00 N ATOM 722 CA LEU A 44 -7.425 -4.559 11.857 1.00 0.00 C ATOM 723 C LEU A 44 -8.801 -5.055 11.421 1.00 0.00 C ATOM 724 O LEU A 44 -8.968 -5.561 10.311 1.00 0.00 O ATOM 725 CB LEU A 44 -7.189 -3.128 11.362 1.00 0.00 C ATOM 726 CG LEU A 44 -7.655 -2.839 9.931 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.957 -2.054 9.941 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.582 -2.079 9.163 1.00 0.00 C ATOM 0 H LEU A 44 -5.799 -5.054 10.625 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.395 -4.561 12.947 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.698 -2.440 12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.123 -2.910 11.429 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.830 -3.791 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.272 -1.858 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.726 -2.632 10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.807 -1.108 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.930 -1.883 8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.376 -1.134 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.671 -2.676 9.124 1.00 0.00 H new ATOM 740 N GLY A 45 -9.784 -4.907 12.304 1.00 0.00 N ATOM 741 CA GLY A 45 -11.133 -5.343 11.995 1.00 0.00 C ATOM 742 C GLY A 45 -12.166 -4.264 12.257 1.00 0.00 C ATOM 743 O GLY A 45 -13.335 -4.560 12.506 1.00 0.00 O ATOM 0 H GLY A 45 -9.670 -4.492 13.229 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.184 -5.644 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.373 -6.223 12.591 1.00 0.00 H new ATOM 747 N GLY A 46 -11.733 -3.008 12.199 1.00 0.00 N ATOM 748 CA GLY A 46 -12.639 -1.899 12.433 1.00 0.00 C ATOM 749 C GLY A 46 -11.970 -0.555 12.225 1.00 0.00 C ATOM 750 O GLY A 46 -11.006 -0.444 11.467 1.00 0.00 O ATOM 0 H GLY A 46 -10.771 -2.739 11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.494 -1.984 11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.025 -1.957 13.451 1.00 0.00 H new ATOM 754 N GLY A 47 -12.481 0.469 12.900 1.00 0.00 N ATOM 755 CA GLY A 47 -11.913 1.799 12.772 1.00 0.00 C ATOM 756 C GLY A 47 -10.746 2.023 13.713 1.00 0.00 C ATOM 757 O GLY A 47 -10.364 1.124 14.465 1.00 0.00 O ATOM 0 H GLY A 47 -13.278 0.402 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.582 1.952 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.685 2.542 12.972 1.00 0.00 H new ATOM 761 N GLY A 48 -10.177 3.223 13.673 1.00 0.00 N ATOM 762 CA GLY A 48 -9.052 3.539 14.533 1.00 0.00 C ATOM 763 C GLY A 48 -7.720 3.220 13.884 1.00 0.00 C ATOM 764 O GLY A 48 -6.816 4.056 13.860 1.00 0.00 O ATOM 0 H GLY A 48 -10.475 3.982 13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.082 4.597 14.792 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.142 2.980 15.464 1.00 0.00 H new ATOM 768 N GLU A 49 -7.598 2.007 13.355 1.00 0.00 N ATOM 769 CA GLU A 49 -6.369 1.577 12.700 1.00 0.00 C ATOM 770 C GLU A 49 -6.471 1.741 11.185 1.00 0.00 C ATOM 771 O GLU A 49 -5.460 1.879 10.497 1.00 0.00 O ATOM 772 CB GLU A 49 -6.067 0.117 13.048 1.00 0.00 C ATOM 773 CG GLU A 49 -4.808 -0.420 12.387 1.00 0.00 C ATOM 774 CD GLU A 49 -3.730 -0.783 13.389 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.023 -1.562 14.321 1.00 0.00 O ATOM 776 OE2 GLU A 49 -2.592 -0.288 13.243 1.00 0.00 O1- ATOM 0 H GLU A 49 -8.337 1.304 13.367 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.555 2.206 13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.967 0.023 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.915 -0.501 12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.060 -1.300 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.419 0.327 11.695 1.00 0.00 H new ATOM 783 N VAL A 50 -7.698 1.720 10.673 1.00 0.00 N ATOM 784 CA VAL A 50 -7.935 1.864 9.241 1.00 0.00 C ATOM 785 C VAL A 50 -7.271 3.124 8.691 1.00 0.00 C ATOM 786 O VAL A 50 -6.771 3.136 7.567 1.00 0.00 O ATOM 787 CB VAL A 50 -9.447 1.899 8.923 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.078 3.209 9.374 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.688 1.668 7.439 1.00 0.00 C ATOM 0 H VAL A 50 -8.545 1.604 11.230 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.492 0.993 8.758 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.924 1.092 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.142 3.202 9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.948 3.324 10.450 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.597 4.041 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.758 1.696 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.188 2.447 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.290 0.694 7.153 1.00 0.00 H new ATOM 799 N LYS A 51 -7.277 4.182 9.494 1.00 0.00 N ATOM 800 CA LYS A 51 -6.681 5.452 9.097 1.00 0.00 C ATOM 801 C LYS A 51 -5.160 5.349 9.020 1.00 0.00 C ATOM 802 O LYS A 51 -4.528 5.977 8.171 1.00 0.00 O ATOM 803 CB LYS A 51 -7.081 6.551 10.085 1.00 0.00 C ATOM 804 CG LYS A 51 -8.563 6.896 10.041 1.00 0.00 C ATOM 805 CD LYS A 51 -9.366 6.054 11.023 1.00 0.00 C ATOM 806 CE LYS A 51 -8.903 6.267 12.455 1.00 0.00 C ATOM 807 NZ LYS A 51 -9.997 6.784 13.323 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.690 4.185 10.427 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.055 5.705 8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.820 6.234 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.500 7.449 9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.698 7.953 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.943 6.740 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.423 6.308 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.270 5.000 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.533 5.325 12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.069 6.969 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.640 6.915 14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.334 7.695 12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.783 6.103 13.334 1.00 0.00 H new ATOM 821 N LYS A 52 -4.580 4.560 9.917 1.00 0.00 N ATOM 822 CA LYS A 52 -3.133 4.377 9.962 1.00 0.00 C ATOM 823 C LYS A 52 -2.624 3.644 8.723 1.00 0.00 C ATOM 824 O LYS A 52 -1.515 3.899 8.256 1.00 0.00 O ATOM 825 CB LYS A 52 -2.736 3.605 11.221 1.00 0.00 C ATOM 826 CG LYS A 52 -2.966 4.381 12.508 1.00 0.00 C ATOM 827 CD LYS A 52 -1.963 5.514 12.660 1.00 0.00 C ATOM 828 CE LYS A 52 -0.720 5.061 13.408 1.00 0.00 C ATOM 829 NZ LYS A 52 0.163 4.218 12.555 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.092 4.035 10.626 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.674 5.366 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.303 2.675 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.683 3.333 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.978 4.786 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.887 3.706 13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.681 5.886 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.428 6.344 13.193 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.166 5.934 13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.014 4.498 14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.149 4.317 12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.127 3.222 12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.085 4.525 11.565 1.00 0.00 H new ATOM 843 N VAL A 53 -3.432 2.728 8.205 1.00 0.00 N ATOM 844 CA VAL A 53 -3.058 1.949 7.028 1.00 0.00 C ATOM 845 C VAL A 53 -3.059 2.802 5.761 1.00 0.00 C ATOM 846 O VAL A 53 -2.207 2.635 4.892 1.00 0.00 O ATOM 847 CB VAL A 53 -4.003 0.749 6.827 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.530 -0.125 5.672 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.113 -0.063 8.109 1.00 0.00 C ATOM 0 H VAL A 53 -4.353 2.505 8.581 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.046 1.585 7.207 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.993 1.131 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.213 -0.966 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.510 0.464 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.528 -0.499 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.784 -0.907 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.127 -0.432 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.506 0.567 8.906 1.00 0.00 H new ATOM 859 N GLU A 54 -4.028 3.699 5.648 1.00 0.00 N ATOM 860 CA GLU A 54 -4.139 4.563 4.476 1.00 0.00 C ATOM 861 C GLU A 54 -2.965 5.537 4.376 1.00 0.00 C ATOM 862 O GLU A 54 -2.552 5.912 3.279 1.00 0.00 O ATOM 863 CB GLU A 54 -5.455 5.343 4.517 1.00 0.00 C ATOM 864 CG GLU A 54 -6.682 4.462 4.679 1.00 0.00 C ATOM 865 CD GLU A 54 -7.898 5.237 5.148 1.00 0.00 C ATOM 866 OE1 GLU A 54 -7.741 6.116 6.023 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.007 4.968 4.639 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.750 3.849 6.353 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.121 3.922 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.419 6.056 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.553 5.922 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.907 3.981 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.463 3.669 5.394 1.00 0.00 H new ATOM 874 N GLU A 55 -2.449 5.963 5.523 1.00 0.00 N ATOM 875 CA GLU A 55 -1.340 6.917 5.563 1.00 0.00 C ATOM 876 C GLU A 55 -0.020 6.303 5.087 1.00 0.00 C ATOM 877 O GLU A 55 0.688 6.897 4.274 1.00 0.00 O ATOM 878 CB GLU A 55 -1.174 7.465 6.984 1.00 0.00 C ATOM 879 CG GLU A 55 -1.322 8.975 7.073 1.00 0.00 C ATOM 880 CD GLU A 55 -2.091 9.413 8.305 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.139 8.801 8.599 1.00 0.00 O ATOM 882 OE2 GLU A 55 -1.643 10.367 8.975 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.779 5.664 6.441 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.587 7.727 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.913 6.997 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.192 7.181 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.333 9.433 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.832 9.340 6.182 1.00 0.00 H new ATOM 889 N GLU A 56 0.318 5.132 5.616 1.00 0.00 N ATOM 890 CA GLU A 56 1.570 4.463 5.263 1.00 0.00 C ATOM 891 C GLU A 56 1.666 4.177 3.765 1.00 0.00 C ATOM 892 O GLU A 56 2.699 4.428 3.145 1.00 0.00 O ATOM 893 CB GLU A 56 1.714 3.162 6.060 1.00 0.00 C ATOM 894 CG GLU A 56 0.757 2.064 5.625 1.00 0.00 C ATOM 895 CD GLU A 56 0.830 0.842 6.518 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.925 0.556 7.047 1.00 0.00 O ATOM 897 OE2 GLU A 56 -0.209 0.168 6.689 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.255 4.625 6.290 1.00 0.00 H new ATOM 0 HA GLU A 56 2.386 5.139 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.737 2.799 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.551 3.375 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.262 2.452 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.984 1.774 4.599 1.00 0.00 H new ATOM 904 N VAL A 57 0.592 3.651 3.190 1.00 0.00 N ATOM 905 CA VAL A 57 0.570 3.332 1.766 1.00 0.00 C ATOM 906 C VAL A 57 0.740 4.589 0.916 1.00 0.00 C ATOM 907 O VAL A 57 1.370 4.554 -0.140 1.00 0.00 O ATOM 908 CB VAL A 57 -0.730 2.598 1.366 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.890 3.571 1.200 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.511 1.792 0.093 1.00 0.00 C ATOM 0 H VAL A 57 -0.274 3.436 3.685 1.00 0.00 H new ATOM 0 HA VAL A 57 1.411 2.665 1.577 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.992 1.912 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.788 3.022 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.064 4.094 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.649 4.295 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.435 1.280 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.217 2.461 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.276 1.056 0.259 1.00 0.00 H new ATOM 920 N LYS A 58 0.173 5.697 1.386 1.00 0.00 N ATOM 921 CA LYS A 58 0.258 6.967 0.672 1.00 0.00 C ATOM 922 C LYS A 58 1.712 7.339 0.392 1.00 0.00 C ATOM 923 O LYS A 58 2.020 7.943 -0.632 1.00 0.00 O ATOM 924 CB LYS A 58 -0.423 8.075 1.479 1.00 0.00 C ATOM 925 CG LYS A 58 -1.575 8.742 0.744 1.00 0.00 C ATOM 926 CD LYS A 58 -1.151 10.063 0.124 1.00 0.00 C ATOM 927 CE LYS A 58 -1.137 11.183 1.151 1.00 0.00 C ATOM 928 NZ LYS A 58 -2.512 11.649 1.484 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.351 5.740 2.260 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.257 6.855 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.794 7.656 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.318 8.831 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.945 8.076 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.400 8.912 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.159 9.958 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.832 10.320 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.641 10.837 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.553 12.020 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.456 12.518 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.035 11.843 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.007 10.912 2.026 1.00 0.00 H new ATOM 942 N LYS A 59 2.598 6.977 1.310 1.00 0.00 N ATOM 943 CA LYS A 59 4.020 7.268 1.161 1.00 0.00 C ATOM 944 C LYS A 59 4.630 6.455 0.019 1.00 0.00 C ATOM 945 O LYS A 59 5.498 6.938 -0.707 1.00 0.00 O ATOM 946 CB LYS A 59 4.762 6.972 2.464 1.00 0.00 C ATOM 947 CG LYS A 59 4.116 7.599 3.688 1.00 0.00 C ATOM 948 CD LYS A 59 4.866 7.239 4.960 1.00 0.00 C ATOM 949 CE LYS A 59 6.180 7.994 5.064 1.00 0.00 C ATOM 950 NZ LYS A 59 7.108 7.364 6.043 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.358 6.480 2.168 1.00 0.00 H new ATOM 0 HA LYS A 59 4.123 8.327 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.816 5.892 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.787 7.334 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.092 8.683 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.082 7.264 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.245 7.466 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.059 6.166 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.656 8.030 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.984 9.024 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.992 7.910 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.665 7.352 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.316 6.389 5.746 1.00 0.00 H new ATOM 964 N LEU A 60 4.180 5.210 -0.115 1.00 0.00 N ATOM 965 CA LEU A 60 4.688 4.307 -1.146 1.00 0.00 C ATOM 966 C LEU A 60 4.485 4.869 -2.553 1.00 0.00 C ATOM 967 O LEU A 60 5.392 4.821 -3.384 1.00 0.00 O ATOM 968 CB LEU A 60 3.988 2.951 -1.027 1.00 0.00 C ATOM 969 CG LEU A 60 4.780 1.754 -1.552 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.122 1.942 -3.021 1.00 0.00 C ATOM 971 CD2 LEU A 60 6.043 1.545 -0.730 1.00 0.00 C ATOM 0 H LEU A 60 3.460 4.801 0.481 1.00 0.00 H new ATOM 0 HA LEU A 60 5.761 4.193 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.750 2.775 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.041 3.002 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 60 4.159 0.864 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.686 1.080 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.203 2.038 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.723 2.843 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.593 0.688 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.668 2.436 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.774 1.361 0.310 1.00 0.00 H new ATOM 983 N GLU A 61 3.294 5.394 -2.820 1.00 0.00 N ATOM 984 CA GLU A 61 2.984 5.956 -4.131 1.00 0.00 C ATOM 985 C GLU A 61 3.768 7.240 -4.385 1.00 0.00 C ATOM 986 O GLU A 61 4.143 7.533 -5.517 1.00 0.00 O ATOM 987 CB GLU A 61 1.479 6.216 -4.272 1.00 0.00 C ATOM 988 CG GLU A 61 0.886 7.062 -3.157 1.00 0.00 C ATOM 989 CD GLU A 61 1.166 8.543 -3.332 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.634 8.936 -4.421 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 0.913 9.311 -2.380 1.00 0.00 O ATOM 0 H GLU A 61 2.528 5.442 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 61 3.283 5.223 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.295 6.711 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.958 5.259 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.192 6.902 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.291 6.731 -2.201 1.00 0.00 H new ATOM 998 N GLU A 62 4.007 8.003 -3.324 1.00 0.00 N ATOM 999 CA GLU A 62 4.744 9.260 -3.426 1.00 0.00 C ATOM 1000 C GLU A 62 6.127 9.033 -4.025 1.00 0.00 C ATOM 1001 O GLU A 62 6.623 9.850 -4.799 1.00 0.00 O ATOM 1002 CB GLU A 62 4.875 9.911 -2.048 1.00 0.00 C ATOM 1003 CG GLU A 62 3.751 10.882 -1.723 1.00 0.00 C ATOM 1004 CD GLU A 62 3.872 12.188 -2.483 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.731 13.015 -2.110 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.108 12.383 -3.452 1.00 0.00 O ATOM 0 H GLU A 62 3.700 7.773 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 62 4.187 9.926 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.900 9.130 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.827 10.439 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.794 10.416 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.751 11.087 -0.653 1.00 0.00 H new ATOM 1013 N GLU A 63 6.739 7.912 -3.665 1.00 0.00 N ATOM 1014 CA GLU A 63 8.061 7.567 -4.170 1.00 0.00 C ATOM 1015 C GLU A 63 7.991 7.216 -5.650 1.00 0.00 C ATOM 1016 O GLU A 63 8.935 7.454 -6.402 1.00 0.00 O ATOM 1017 CB GLU A 63 8.645 6.390 -3.384 1.00 0.00 C ATOM 1018 CG GLU A 63 8.523 6.542 -1.877 1.00 0.00 C ATOM 1019 CD GLU A 63 9.348 7.694 -1.337 1.00 0.00 C ATOM 1020 OE1 GLU A 63 8.868 8.845 -1.397 1.00 0.00 O ATOM 1021 OE2 GLU A 63 10.472 7.443 -0.856 1.00 0.00 O1- ATOM 0 H GLU A 63 6.340 7.226 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 63 8.711 8.433 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.140 5.474 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.697 6.276 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.476 6.696 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.840 5.617 -1.396 1.00 0.00 H new ATOM 1028 N ILE A 64 6.867 6.634 -6.056 1.00 0.00 N ATOM 1029 CA ILE A 64 6.668 6.230 -7.444 1.00 0.00 C ATOM 1030 C ILE A 64 6.786 7.415 -8.404 1.00 0.00 C ATOM 1031 O ILE A 64 7.459 7.327 -9.430 1.00 0.00 O ATOM 1032 CB ILE A 64 5.293 5.559 -7.643 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.103 4.425 -6.632 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.155 5.035 -9.067 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.785 3.695 -6.782 1.00 0.00 C ATOM 0 H ILE A 64 6.078 6.431 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 64 7.457 5.512 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 64 4.516 6.305 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.919 3.711 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.170 4.833 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.179 4.565 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.249 5.863 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.938 4.302 -9.262 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.719 2.905 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.963 4.397 -6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.723 3.257 -7.778 1.00 0.00 H new ATOM 1047 N LYS A 65 6.123 8.518 -8.072 1.00 0.00 N ATOM 1048 CA LYS A 65 6.154 9.708 -8.915 1.00 0.00 C ATOM 1049 C LYS A 65 7.542 10.339 -8.922 1.00 0.00 C ATOM 1050 O LYS A 65 7.949 10.958 -9.906 1.00 0.00 O ATOM 1051 CB LYS A 65 5.114 10.724 -8.441 1.00 0.00 C ATOM 1052 CG LYS A 65 5.400 11.297 -7.062 1.00 0.00 C ATOM 1053 CD LYS A 65 4.529 12.510 -6.771 1.00 0.00 C ATOM 1054 CE LYS A 65 5.349 13.676 -6.244 1.00 0.00 C ATOM 1055 NZ LYS A 65 4.861 14.980 -6.769 1.00 0.00 N1+ ATOM 0 H LYS A 65 5.559 8.613 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 65 5.913 9.405 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.064 11.541 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.133 10.248 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.225 10.532 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.451 11.578 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.009 12.812 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.765 12.243 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.309 13.685 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.394 13.540 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.447 15.749 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.923 14.981 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.872 15.122 -6.481 1.00 0.00 H new ATOM 1069 N LYS A 66 8.269 10.175 -7.822 1.00 0.00 N ATOM 1070 CA LYS A 66 9.614 10.724 -7.708 1.00 0.00 C ATOM 1071 C LYS A 66 10.601 9.939 -8.567 1.00 0.00 C ATOM 1072 O LYS A 66 11.690 10.423 -8.878 1.00 0.00 O ATOM 1073 CB LYS A 66 10.071 10.709 -6.249 1.00 0.00 C ATOM 1074 CG LYS A 66 9.556 11.886 -5.438 1.00 0.00 C ATOM 1075 CD LYS A 66 10.629 12.434 -4.510 1.00 0.00 C ATOM 1076 CE LYS A 66 10.024 13.081 -3.275 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.069 13.644 -2.375 1.00 0.00 N1+ ATOM 0 H LYS A 66 7.949 9.667 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 66 9.588 11.753 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.737 9.783 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.161 10.706 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.219 12.674 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.691 11.575 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.297 11.627 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.234 13.166 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.340 13.874 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.435 12.343 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.616 14.076 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.707 12.883 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.615 14.366 -2.886 1.00 0.00 H new ATOM 1091 N LEU A 67 10.216 8.724 -8.949 1.00 0.00 N ATOM 1092 CA LEU A 67 11.070 7.874 -9.771 1.00 0.00 C ATOM 1093 C LEU A 67 10.497 7.723 -11.178 1.00 0.00 C ATOM 1094 O LEU A 67 9.340 8.141 -11.393 1.00 0.00 O ATOM 1095 CB LEU A 67 11.242 6.499 -9.110 1.00 0.00 C ATOM 1096 CG LEU A 67 10.154 5.469 -9.429 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.467 4.749 -10.732 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.013 4.474 -8.287 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.211 7.188 -12.052 1.00 0.00 O ATOM 0 H LEU A 67 9.318 8.307 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 67 12.048 8.348 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.205 6.089 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.280 6.638 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 67 9.206 5.993 -9.547 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.684 4.021 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.518 5.473 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.425 4.236 -10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.236 3.749 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.960 3.955 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.742 5.004 -7.374 1.00 0.00 H new TER 1111 LEU A 67