USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0397 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+ 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+ 158:sc= -0.215 (180deg=-0.948) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= -6.03! (180deg=-10.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -0.0277 (180deg=-0.228) 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+ 158:sc= -0.313 (180deg=-1.03) 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 Single : A 101 HTS O1 : rot -172:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.777 0.457 13.118 1.00 0.00 N ATOM 2 CA GLY A 1 -17.277 -0.097 11.830 1.00 0.00 C ATOM 3 C GLY A 1 -15.937 -0.792 11.976 1.00 0.00 C ATOM 4 O GLY A 1 -15.852 -2.017 11.884 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.695 0.921 12.963 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.891 -0.314 13.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.095 1.152 13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.007 -0.803 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.187 0.710 11.102 1.00 0.00 H new ATOM 10 N SER A 2 -14.887 -0.008 12.204 1.00 0.00 N ATOM 11 CA SER A 2 -13.545 -0.555 12.363 1.00 0.00 C ATOM 12 C SER A 2 -13.105 -1.289 11.099 1.00 0.00 C ATOM 13 O SER A 2 -12.544 -2.382 11.167 1.00 0.00 O ATOM 14 CB SER A 2 -13.496 -1.503 13.562 1.00 0.00 C ATOM 15 OG SER A 2 -12.272 -1.372 14.266 1.00 0.00 O ATOM 0 H SER A 2 -14.941 1.008 12.283 1.00 0.00 H new ATOM 0 HA SER A 2 -12.859 0.274 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.329 -1.290 14.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.615 -2.532 13.222 1.00 0.00 H new ATOM 0 HG SER A 2 -12.266 -1.987 15.029 1.00 0.00 H new ATOM 21 N ARG A 3 -13.362 -0.678 9.947 1.00 0.00 N ATOM 22 CA ARG A 3 -12.993 -1.272 8.668 1.00 0.00 C ATOM 23 C ARG A 3 -11.726 -0.629 8.113 1.00 0.00 C ATOM 24 O ARG A 3 -10.757 -1.317 7.795 1.00 0.00 O ATOM 25 CB ARG A 3 -14.136 -1.122 7.662 1.00 0.00 C ATOM 26 CG ARG A 3 -13.892 -1.852 6.351 1.00 0.00 C ATOM 27 CD ARG A 3 -14.211 -0.971 5.152 1.00 0.00 C ATOM 28 NE ARG A 3 -15.632 -1.000 4.814 1.00 0.00 N ATOM 29 CZ ARG A 3 -16.197 -0.193 3.919 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.467 0.709 3.274 1.00 0.00 N ATOM 31 NH2 ARG A 3 -17.496 -0.286 3.669 1.00 0.00 N ATOM 0 H ARG A 3 -13.824 0.228 9.873 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.799 -2.332 8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.056 -1.497 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.290 -0.063 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.852 -2.173 6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.506 -2.752 6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.910 0.055 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.627 -1.302 4.293 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.226 -1.678 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.468 0.786 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.905 1.325 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.062 -0.976 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.929 0.333 2.983 1.00 0.00 H new ATOM 45 N VAL A 4 -11.742 0.696 7.998 1.00 0.00 N ATOM 46 CA VAL A 4 -10.595 1.432 7.480 1.00 0.00 C ATOM 47 C VAL A 4 -9.394 1.310 8.414 1.00 0.00 C ATOM 48 O VAL A 4 -8.246 1.364 7.974 1.00 0.00 O ATOM 49 CB VAL A 4 -10.929 2.924 7.278 1.00 0.00 C ATOM 50 CG1 VAL A 4 -11.307 3.573 8.601 1.00 0.00 C ATOM 51 CG2 VAL A 4 -9.761 3.653 6.631 1.00 0.00 C ATOM 0 H VAL A 4 -12.537 1.281 8.257 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.345 0.990 6.515 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.786 2.996 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -11.539 4.625 8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.180 3.070 9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.473 3.490 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.017 4.704 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.882 3.572 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.546 3.206 5.661 1.00 0.00 H new ATOM 61 N LYS A 5 -9.666 1.142 9.705 1.00 0.00 N ATOM 62 CA LYS A 5 -8.607 1.012 10.700 1.00 0.00 C ATOM 63 C LYS A 5 -7.685 -0.157 10.362 1.00 0.00 C ATOM 64 O LYS A 5 -6.477 -0.093 10.589 1.00 0.00 O ATOM 65 CB LYS A 5 -9.207 0.817 12.093 1.00 0.00 C ATOM 66 CG LYS A 5 -9.697 2.106 12.731 1.00 0.00 C ATOM 67 CD LYS A 5 -9.638 2.035 14.247 1.00 0.00 C ATOM 68 CE LYS A 5 -10.996 1.694 14.844 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.287 2.503 16.059 1.00 0.00 N ATOM 0 H LYS A 5 -10.611 1.093 10.086 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.020 1.930 10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.039 0.116 12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.458 0.362 12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.089 2.940 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.721 2.303 12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.908 1.284 14.549 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.295 2.990 14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.773 1.865 14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.025 0.634 15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.220 2.241 16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.560 2.321 16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.284 3.513 15.812 1.00 0.00 H new ATOM 83 N ALA A 6 -8.265 -1.221 9.817 1.00 0.00 N ATOM 84 CA ALA A 6 -7.498 -2.403 9.446 1.00 0.00 C ATOM 85 C ALA A 6 -6.726 -2.174 8.152 1.00 0.00 C ATOM 86 O ALA A 6 -5.698 -2.805 7.911 1.00 0.00 O ATOM 87 CB ALA A 6 -8.419 -3.607 9.308 1.00 0.00 C ATOM 0 H ALA A 6 -9.264 -1.288 9.623 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.776 -2.600 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.833 -4.483 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.921 -3.792 10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.163 -3.409 8.537 1.00 0.00 H new ATOM 93 N LEU A 7 -7.229 -1.267 7.319 1.00 0.00 N ATOM 94 CA LEU A 7 -6.585 -0.955 6.048 1.00 0.00 C ATOM 95 C LEU A 7 -5.203 -0.348 6.270 1.00 0.00 C ATOM 96 O LEU A 7 -4.321 -0.460 5.418 1.00 0.00 O ATOM 97 CB LEU A 7 -7.455 0.012 5.242 1.00 0.00 C ATOM 98 CG LEU A 7 -7.397 -0.173 3.724 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.229 0.892 3.027 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.956 -0.130 3.238 1.00 0.00 C ATOM 0 H LEU A 7 -8.080 -0.736 7.502 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.466 -1.884 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.490 -0.098 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.153 1.032 5.480 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.813 -1.150 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.177 0.746 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.266 0.815 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.841 1.879 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.933 -0.263 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.514 0.833 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.387 -0.929 3.714 1.00 0.00 H new ATOM 112 N GLU A 8 -5.022 0.301 7.416 1.00 0.00 N ATOM 113 CA GLU A 8 -3.748 0.931 7.747 1.00 0.00 C ATOM 114 C GLU A 8 -2.705 -0.108 8.147 1.00 0.00 C ATOM 115 O GLU A 8 -1.513 0.070 7.896 1.00 0.00 O ATOM 116 CB GLU A 8 -3.938 1.944 8.877 1.00 0.00 C ATOM 117 CG GLU A 8 -4.557 3.254 8.421 1.00 0.00 C ATOM 118 CD GLU A 8 -4.890 4.177 9.578 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.497 3.701 10.561 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.543 5.374 9.502 1.00 0.00 O ATOM 0 H GLU A 8 -5.742 0.405 8.131 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.388 1.448 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.570 1.502 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.971 2.149 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.869 3.760 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.465 3.045 7.855 1.00 0.00 H new ATOM 127 N GLU A 9 -3.157 -1.190 8.771 1.00 0.00 N ATOM 128 CA GLU A 9 -2.257 -2.254 9.206 1.00 0.00 C ATOM 129 C GLU A 9 -1.832 -3.135 8.031 1.00 0.00 C ATOM 130 O GLU A 9 -0.818 -3.830 8.100 1.00 0.00 O ATOM 131 CB GLU A 9 -2.924 -3.108 10.289 1.00 0.00 C ATOM 132 CG GLU A 9 -4.092 -3.941 9.785 1.00 0.00 C ATOM 133 CD GLU A 9 -4.184 -5.290 10.472 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.124 -5.868 10.788 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.317 -5.768 10.692 1.00 0.00 O ATOM 0 H GLU A 9 -4.140 -1.354 8.987 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.364 -1.787 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.178 -3.773 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.274 -2.455 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.020 -3.392 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.990 -4.091 8.710 1.00 0.00 H new ATOM 142 N LYS A 10 -2.615 -3.105 6.956 1.00 0.00 N ATOM 143 CA LYS A 10 -2.322 -3.903 5.771 1.00 0.00 C ATOM 144 C LYS A 10 -1.073 -3.389 5.060 1.00 0.00 C ATOM 145 O LYS A 10 -0.159 -4.156 4.757 1.00 0.00 O ATOM 146 CB LYS A 10 -3.518 -3.881 4.815 1.00 0.00 C ATOM 147 CG LYS A 10 -4.137 -5.250 4.585 1.00 0.00 C ATOM 148 CD LYS A 10 -4.879 -5.310 3.259 1.00 0.00 C ATOM 149 CE LYS A 10 -6.165 -6.112 3.376 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.939 -6.107 2.104 1.00 0.00 N ATOM 0 H LYS A 10 -3.458 -2.536 6.882 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.135 -4.929 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.279 -3.210 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.200 -3.470 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.357 -6.011 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.824 -5.481 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.109 -4.299 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.237 -5.759 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.928 -7.139 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.779 -5.699 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.809 -6.664 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.187 -5.129 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.363 -6.524 1.345 1.00 0.00 H new ATOM 164 N VAL A 11 -1.045 -2.088 4.795 1.00 0.00 N ATOM 165 CA VAL A 11 0.087 -1.465 4.118 1.00 0.00 C ATOM 166 C VAL A 11 1.308 -1.395 5.023 1.00 0.00 C ATOM 167 O VAL A 11 2.440 -1.414 4.553 1.00 0.00 O ATOM 168 CB VAL A 11 -0.256 -0.045 3.626 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.834 0.483 2.703 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.612 -0.031 2.932 1.00 0.00 C ATOM 0 H VAL A 11 -1.796 -1.442 5.039 1.00 0.00 H new ATOM 0 HA VAL A 11 0.315 -2.094 3.257 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.312 0.614 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.572 1.486 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.782 0.516 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.930 -0.175 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.836 0.980 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.590 -0.705 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.382 -0.358 3.631 1.00 0.00 H new ATOM 180 N LYS A 12 1.064 -1.307 6.322 1.00 0.00 N ATOM 181 CA LYS A 12 2.142 -1.231 7.305 1.00 0.00 C ATOM 182 C LYS A 12 3.013 -2.479 7.237 1.00 0.00 C ATOM 183 O LYS A 12 4.232 -2.408 7.389 1.00 0.00 O ATOM 184 CB LYS A 12 1.571 -1.067 8.714 1.00 0.00 C ATOM 185 CG LYS A 12 2.580 -0.542 9.722 1.00 0.00 C ATOM 186 CD LYS A 12 1.896 0.166 10.879 1.00 0.00 C ATOM 187 CE LYS A 12 1.404 -0.821 11.924 1.00 0.00 C ATOM 188 NZ LYS A 12 0.149 -0.358 12.579 1.00 0.00 N ATOM 0 H LYS A 12 0.127 -1.286 6.724 1.00 0.00 H new ATOM 0 HA LYS A 12 2.756 -0.361 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.721 -0.386 8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.193 -2.030 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.179 -1.369 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.265 0.146 9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.591 0.868 11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.055 0.749 10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.233 -1.790 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.176 -0.964 12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.153 -1.059 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.318 0.555 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.596 -0.246 11.862 1.00 0.00 H new ATOM 202 N ALA A 13 2.378 -3.618 6.984 1.00 0.00 N ATOM 203 CA ALA A 13 3.098 -4.881 6.867 1.00 0.00 C ATOM 204 C ALA A 13 3.701 -4.997 5.473 1.00 0.00 C ATOM 205 O ALA A 13 4.694 -5.694 5.259 1.00 0.00 O ATOM 206 CB ALA A 13 2.170 -6.052 7.149 1.00 0.00 C ATOM 0 H ALA A 13 1.369 -3.693 6.856 1.00 0.00 H new ATOM 0 HA ALA A 13 3.901 -4.903 7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.724 -6.986 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.771 -5.965 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.348 -6.046 6.433 1.00 0.00 H new ATOM 212 N LEU A 14 3.085 -4.289 4.537 1.00 0.00 N ATOM 213 CA LEU A 14 3.521 -4.263 3.152 1.00 0.00 C ATOM 214 C LEU A 14 4.895 -3.610 3.026 1.00 0.00 C ATOM 215 O LEU A 14 5.637 -3.875 2.080 1.00 0.00 O ATOM 216 CB LEU A 14 2.490 -3.490 2.328 1.00 0.00 C ATOM 217 CG LEU A 14 2.419 -3.851 0.845 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.006 -3.640 0.325 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.410 -3.025 0.043 1.00 0.00 C ATOM 0 H LEU A 14 2.263 -3.713 4.721 1.00 0.00 H new ATOM 0 HA LEU A 14 3.604 -5.285 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.506 -3.650 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.708 -2.426 2.414 1.00 0.00 H new ATOM 0 HG LEU A 14 2.683 -4.902 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.965 -3.900 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.315 -4.274 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.723 -2.595 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.343 -3.298 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.179 -1.966 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.420 -3.217 0.404 1.00 0.00 H new ATOM 231 N GLU A 15 5.221 -2.747 3.985 1.00 0.00 N ATOM 232 CA GLU A 15 6.494 -2.039 3.992 1.00 0.00 C ATOM 233 C GLU A 15 7.625 -2.943 4.473 1.00 0.00 C ATOM 234 O GLU A 15 8.687 -3.010 3.853 1.00 0.00 O ATOM 235 CB GLU A 15 6.385 -0.798 4.885 1.00 0.00 C ATOM 236 CG GLU A 15 7.712 -0.105 5.151 1.00 0.00 C ATOM 237 CD GLU A 15 7.585 1.036 6.139 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.043 0.810 7.241 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.030 2.157 5.812 1.00 0.00 O ATOM 0 H GLU A 15 4.614 -2.521 4.773 1.00 0.00 H new ATOM 0 HA GLU A 15 6.727 -1.732 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.703 -0.087 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.941 -1.087 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.428 -0.833 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.114 0.275 4.212 1.00 0.00 H new ATOM 246 N GLU A 16 7.391 -3.635 5.583 1.00 0.00 N ATOM 247 CA GLU A 16 8.391 -4.536 6.152 1.00 0.00 C ATOM 248 C GLU A 16 8.978 -5.458 5.086 1.00 0.00 C ATOM 249 O GLU A 16 10.131 -5.880 5.182 1.00 0.00 O ATOM 250 CB GLU A 16 7.771 -5.369 7.275 1.00 0.00 C ATOM 251 CG GLU A 16 7.109 -4.534 8.359 1.00 0.00 C ATOM 252 CD GLU A 16 7.928 -4.475 9.633 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.130 -4.144 9.552 1.00 0.00 O ATOM 254 OE2 GLU A 16 7.369 -4.761 10.712 1.00 0.00 O ATOM 0 H GLU A 16 6.518 -3.590 6.108 1.00 0.00 H new ATOM 0 HA GLU A 16 9.199 -3.927 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.032 -6.046 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.546 -5.988 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.950 -3.522 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.126 -4.949 8.582 1.00 0.00 H new ATOM 261 N LYS A 17 8.177 -5.767 4.071 1.00 0.00 N ATOM 262 CA LYS A 17 8.618 -6.641 2.988 1.00 0.00 C ATOM 263 C LYS A 17 9.550 -5.903 2.032 1.00 0.00 C ATOM 264 O LYS A 17 10.539 -6.462 1.559 1.00 0.00 O ATOM 265 CB LYS A 17 7.410 -7.184 2.222 1.00 0.00 C ATOM 266 CG LYS A 17 7.745 -8.350 1.307 1.00 0.00 C ATOM 267 CD LYS A 17 8.107 -9.596 2.101 1.00 0.00 C ATOM 268 CE LYS A 17 6.937 -10.562 2.186 1.00 0.00 C ATOM 269 NZ LYS A 17 7.385 -11.956 2.456 1.00 0.00 N ATOM 0 H LYS A 17 7.220 -5.426 3.975 1.00 0.00 H new ATOM 0 HA LYS A 17 9.168 -7.473 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.649 -7.500 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.975 -6.380 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.893 -8.564 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.577 -8.077 0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.957 -10.093 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.418 -9.311 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.257 -10.240 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.376 -10.536 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.557 -12.583 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.013 -12.273 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.898 -11.987 3.360 1.00 0.00 H new ATOM 283 N VAL A 18 9.226 -4.645 1.748 1.00 0.00 N ATOM 284 CA VAL A 18 10.034 -3.832 0.846 1.00 0.00 C ATOM 285 C VAL A 18 11.285 -3.312 1.543 1.00 0.00 C ATOM 286 O VAL A 18 12.406 -3.587 1.120 1.00 0.00 O ATOM 287 CB VAL A 18 9.238 -2.635 0.303 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.975 -1.982 -0.857 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.837 -3.058 -0.116 1.00 0.00 C ATOM 0 H VAL A 18 8.410 -4.167 2.130 1.00 0.00 H new ATOM 0 HA VAL A 18 10.322 -4.478 0.017 1.00 0.00 H new ATOM 0 HB VAL A 18 9.142 -1.901 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.395 -1.137 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.950 -1.632 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.109 -2.709 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.294 -2.193 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.904 -3.816 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.308 -3.468 0.744 1.00 0.00 H new ATOM 299 N LYS A 19 11.088 -2.554 2.616 1.00 0.00 N ATOM 300 CA LYS A 19 12.204 -1.992 3.368 1.00 0.00 C ATOM 301 C LYS A 19 13.223 -3.069 3.741 1.00 0.00 C ATOM 302 O LYS A 19 14.390 -2.769 3.990 1.00 0.00 O ATOM 303 CB LYS A 19 11.695 -1.299 4.632 1.00 0.00 C ATOM 304 CG LYS A 19 11.111 0.078 4.371 1.00 0.00 C ATOM 305 CD LYS A 19 11.664 1.115 5.336 1.00 0.00 C ATOM 306 CE LYS A 19 12.943 1.745 4.809 1.00 0.00 C ATOM 307 NZ LYS A 19 14.124 1.386 5.642 1.00 0.00 N ATOM 0 H LYS A 19 10.167 -2.315 2.984 1.00 0.00 H new ATOM 0 HA LYS A 19 12.700 -1.261 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.935 -1.925 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.516 -1.209 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.332 0.379 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.026 0.037 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.918 1.891 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.859 0.647 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.111 1.420 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.831 2.829 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.976 1.835 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.975 1.718 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.247 0.353 5.643 1.00 0.00 H new ATOM 321 N ALA A 20 12.775 -4.320 3.777 1.00 0.00 N ATOM 322 CA ALA A 20 13.650 -5.435 4.119 1.00 0.00 C ATOM 323 C ALA A 20 14.356 -5.988 2.883 1.00 0.00 C ATOM 324 O ALA A 20 15.363 -6.686 2.995 1.00 0.00 O ATOM 325 CB ALA A 20 12.857 -6.533 4.810 1.00 0.00 C ATOM 0 H ALA A 20 11.812 -4.587 3.574 1.00 0.00 H new ATOM 0 HA ALA A 20 14.414 -5.065 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.522 -7.360 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.409 -6.139 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.071 -6.888 4.144 1.00 0.00 H new ATOM 331 N LEU A 21 13.824 -5.673 1.704 1.00 0.00 N ATOM 332 CA LEU A 21 14.413 -6.145 0.457 1.00 0.00 C ATOM 333 C LEU A 21 15.263 -5.055 -0.191 1.00 0.00 C ATOM 334 O LEU A 21 15.277 -3.912 0.268 1.00 0.00 O ATOM 335 CB LEU A 21 13.315 -6.618 -0.508 1.00 0.00 C ATOM 336 CG LEU A 21 12.605 -5.515 -1.300 1.00 0.00 C ATOM 337 CD1 LEU A 21 13.435 -5.100 -2.503 1.00 0.00 C ATOM 338 CD2 LEU A 21 11.224 -5.980 -1.738 1.00 0.00 C ATOM 0 H LEU A 21 12.991 -5.096 1.588 1.00 0.00 H new ATOM 0 HA LEU A 21 15.063 -6.990 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.756 -7.321 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.567 -7.168 0.063 1.00 0.00 H new ATOM 0 HG LEU A 21 12.487 -4.647 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.913 -4.316 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.402 -4.726 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.586 -5.960 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.733 -5.185 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.321 -6.863 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.627 -6.226 -0.860 1.00 0.00 H new ATOM 350 N GLY A 22 15.967 -5.414 -1.259 1.00 0.00 N ATOM 351 CA GLY A 22 16.808 -4.453 -1.950 1.00 0.00 C ATOM 352 C GLY A 22 16.833 -4.676 -3.451 1.00 0.00 C ATOM 353 O GLY A 22 16.682 -5.803 -3.920 1.00 0.00 O ATOM 0 H GLY A 22 15.971 -6.352 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.449 -3.445 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.824 -4.517 -1.559 1.00 0.00 H new ATOM 357 N GLY A 23 17.024 -3.597 -4.203 1.00 0.00 N ATOM 358 CA GLY A 23 17.065 -3.698 -5.650 1.00 0.00 C ATOM 359 C GLY A 23 16.592 -2.430 -6.335 1.00 0.00 C ATOM 360 O GLY A 23 16.416 -1.397 -5.688 1.00 0.00 O ATOM 0 H GLY A 23 17.151 -2.654 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.084 -3.920 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.443 -4.534 -5.970 1.00 0.00 H new ATOM 364 N GLY A 24 16.384 -2.509 -7.645 1.00 0.00 N ATOM 365 CA GLY A 24 15.931 -1.352 -8.396 1.00 0.00 C ATOM 366 C GLY A 24 14.963 -1.721 -9.503 1.00 0.00 C ATOM 367 O GLY A 24 14.806 -2.897 -9.832 1.00 0.00 O ATOM 0 H GLY A 24 16.521 -3.353 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.450 -0.648 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.793 -0.842 -8.826 1.00 0.00 H new ATOM 371 N GLY A 25 14.314 -0.715 -10.080 1.00 0.00 N ATOM 372 CA GLY A 25 13.364 -0.961 -11.150 1.00 0.00 C ATOM 373 C GLY A 25 11.976 -1.283 -10.633 1.00 0.00 C ATOM 374 O GLY A 25 11.211 -0.383 -10.288 1.00 0.00 O ATOM 0 H GLY A 25 14.429 0.266 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.313 -0.084 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.720 -1.788 -11.764 1.00 0.00 H new ATOM 378 N ARG A 26 11.652 -2.571 -10.575 1.00 0.00 N ATOM 379 CA ARG A 26 10.347 -3.015 -10.093 1.00 0.00 C ATOM 380 C ARG A 26 10.061 -2.452 -8.703 1.00 0.00 C ATOM 381 O ARG A 26 9.103 -1.706 -8.504 1.00 0.00 O ATOM 382 CB ARG A 26 10.294 -4.546 -10.046 1.00 0.00 C ATOM 383 CG ARG A 26 8.984 -5.160 -10.534 1.00 0.00 C ATOM 384 CD ARG A 26 7.763 -4.329 -10.156 1.00 0.00 C ATOM 385 NE ARG A 26 7.088 -3.786 -11.334 1.00 0.00 N ATOM 386 CZ ARG A 26 7.003 -2.487 -11.622 1.00 0.00 C ATOM 387 NH1 ARG A 26 7.532 -1.576 -10.814 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.379 -2.096 -12.725 1.00 0.00 N ATOM 0 H ARG A 26 12.276 -3.327 -10.856 1.00 0.00 H new ATOM 0 HA ARG A 26 9.588 -2.647 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.111 -4.942 -10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.470 -4.870 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.021 -5.270 -11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.880 -6.161 -10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.065 -4.946 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.068 -3.511 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 26 6.653 -4.446 -11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.010 -1.867 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.460 -0.585 -11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.966 -2.788 -13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.312 -1.103 -12.948 1.00 0.00 H new ATOM 402 N ILE A 27 10.900 -2.830 -7.746 1.00 0.00 N ATOM 403 CA ILE A 27 10.751 -2.385 -6.366 1.00 0.00 C ATOM 404 C ILE A 27 10.716 -0.864 -6.262 1.00 0.00 C ATOM 405 O ILE A 27 10.102 -0.314 -5.351 1.00 0.00 O ATOM 406 CB ILE A 27 11.889 -2.928 -5.480 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.016 -4.445 -5.643 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.648 -2.567 -4.020 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.448 -4.929 -5.702 1.00 0.00 C ATOM 0 H ILE A 27 11.696 -3.448 -7.902 1.00 0.00 H new ATOM 0 HA ILE A 27 9.799 -2.781 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 27 12.824 -2.467 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.509 -4.935 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.501 -4.749 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.462 -2.959 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.605 -1.483 -3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.704 -3.001 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.461 -6.013 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.954 -4.467 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.962 -4.656 -4.780 1.00 0.00 H new ATOM 421 N GLU A 28 11.390 -0.190 -7.188 1.00 0.00 N ATOM 422 CA GLU A 28 11.444 1.271 -7.187 1.00 0.00 C ATOM 423 C GLU A 28 10.044 1.888 -7.168 1.00 0.00 C ATOM 424 O GLU A 28 9.720 2.679 -6.283 1.00 0.00 O ATOM 425 CB GLU A 28 12.219 1.769 -8.410 1.00 0.00 C ATOM 426 CG GLU A 28 13.363 2.707 -8.063 1.00 0.00 C ATOM 427 CD GLU A 28 12.900 4.130 -7.827 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.057 4.339 -6.930 1.00 0.00 O ATOM 429 OE2 GLU A 28 13.379 5.036 -8.540 1.00 0.00 O ATOM 0 H GLU A 28 11.907 -0.630 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 28 11.959 1.584 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.615 0.911 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.531 2.281 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.870 2.341 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.094 2.696 -8.871 1.00 0.00 H new ATOM 436 N GLU A 29 9.220 1.524 -8.147 1.00 0.00 N ATOM 437 CA GLU A 29 7.858 2.049 -8.235 1.00 0.00 C ATOM 438 C GLU A 29 7.063 1.709 -6.979 1.00 0.00 C ATOM 439 O GLU A 29 6.304 2.531 -6.468 1.00 0.00 O ATOM 440 CB GLU A 29 7.148 1.483 -9.466 1.00 0.00 C ATOM 441 CG GLU A 29 5.701 1.938 -9.605 1.00 0.00 C ATOM 442 CD GLU A 29 5.402 2.529 -10.969 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.424 1.772 -11.962 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.147 3.750 -11.044 1.00 0.00 O ATOM 0 H GLU A 29 9.469 0.870 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 29 7.920 3.134 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.699 1.778 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.174 0.394 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.039 1.090 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.482 2.679 -8.836 1.00 0.00 H new ATOM 451 N LEU A 30 7.243 0.488 -6.496 1.00 0.00 N ATOM 452 CA LEU A 30 6.546 0.018 -5.304 1.00 0.00 C ATOM 453 C LEU A 30 6.860 0.885 -4.088 1.00 0.00 C ATOM 454 O LEU A 30 6.115 0.879 -3.111 1.00 0.00 O ATOM 455 CB LEU A 30 6.927 -1.434 -5.013 1.00 0.00 C ATOM 456 CG LEU A 30 6.387 -2.457 -6.013 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.449 -3.492 -6.345 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.135 -3.129 -5.466 1.00 0.00 C ATOM 0 H LEU A 30 7.870 -0.200 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 30 5.476 0.086 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.014 -1.511 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.567 -1.696 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 30 6.122 -1.933 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.046 -4.211 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.316 -2.996 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.748 -4.012 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.765 -3.854 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.374 -3.639 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.369 -2.376 -5.282 1.00 0.00 H new ATOM 470 N LYS A 31 7.976 1.606 -4.141 1.00 0.00 N ATOM 471 CA LYS A 31 8.396 2.454 -3.028 1.00 0.00 C ATOM 472 C LYS A 31 7.604 3.759 -2.967 1.00 0.00 C ATOM 473 O LYS A 31 6.965 4.054 -1.962 1.00 0.00 O ATOM 474 CB LYS A 31 9.890 2.763 -3.142 1.00 0.00 C ATOM 475 CG LYS A 31 10.423 3.618 -2.003 1.00 0.00 C ATOM 476 CD LYS A 31 11.790 3.144 -1.541 1.00 0.00 C ATOM 477 CE LYS A 31 12.689 4.311 -1.166 1.00 0.00 C ATOM 478 NZ LYS A 31 13.722 4.572 -2.205 1.00 0.00 N ATOM 0 H LYS A 31 8.607 1.621 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 31 8.199 1.904 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.445 1.825 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.076 3.274 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.488 4.657 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.725 3.587 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.675 2.482 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.261 2.561 -2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.083 5.206 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.177 4.102 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.314 5.375 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.317 3.727 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.257 4.796 -3.108 1.00 0.00 H new ATOM 492 N LYS A 32 7.666 4.544 -4.037 1.00 0.00 N ATOM 493 CA LYS A 32 6.968 5.828 -4.089 1.00 0.00 C ATOM 494 C LYS A 32 5.493 5.684 -3.720 1.00 0.00 C ATOM 495 O LYS A 32 5.014 6.311 -2.776 1.00 0.00 O ATOM 496 CB LYS A 32 7.092 6.441 -5.486 1.00 0.00 C ATOM 497 CG LYS A 32 8.326 7.312 -5.661 1.00 0.00 C ATOM 498 CD LYS A 32 9.538 6.487 -6.062 1.00 0.00 C ATOM 499 CE LYS A 32 9.524 6.164 -7.547 1.00 0.00 C ATOM 500 NZ LYS A 32 9.476 7.395 -8.384 1.00 0.00 N ATOM 0 H LYS A 32 8.192 4.316 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 32 7.437 6.486 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.115 5.640 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.204 7.038 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.133 8.070 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.535 7.839 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.449 7.033 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.556 5.561 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.413 5.587 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.662 5.537 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.835 7.181 -9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.494 7.731 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.066 8.133 -7.950 1.00 0.00 H new ATOM 514 N LYS A 33 4.782 4.863 -4.479 1.00 0.00 N ATOM 515 CA LYS A 33 3.357 4.636 -4.251 1.00 0.00 C ATOM 516 C LYS A 33 3.090 4.038 -2.869 1.00 0.00 C ATOM 517 O LYS A 33 1.993 4.171 -2.332 1.00 0.00 O ATOM 518 CB LYS A 33 2.785 3.722 -5.336 1.00 0.00 C ATOM 519 CG LYS A 33 1.270 3.776 -5.439 1.00 0.00 C ATOM 520 CD LYS A 33 0.753 2.852 -6.529 1.00 0.00 C ATOM 521 CE LYS A 33 0.365 1.492 -5.971 1.00 0.00 C ATOM 522 NZ LYS A 33 1.083 0.383 -6.657 1.00 0.00 N ATOM 0 H LYS A 33 5.169 4.339 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 33 2.860 5.605 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.216 3.999 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.091 2.696 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.829 3.495 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.955 4.798 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.111 3.307 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.519 2.727 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.585 1.461 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.710 1.349 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.446 -0.433 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.391 0.699 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.914 0.107 -6.095 1.00 0.00 H new ATOM 536 N CYS A 34 4.087 3.357 -2.313 1.00 0.00 N ATOM 537 CA CYS A 34 3.949 2.716 -1.003 1.00 0.00 C ATOM 538 C CYS A 34 3.634 3.720 0.109 1.00 0.00 C ATOM 539 O CYS A 34 2.634 3.579 0.815 1.00 0.00 O ATOM 540 CB CYS A 34 5.235 1.962 -0.655 1.00 0.00 C ATOM 541 SG CYS A 34 5.000 0.180 -0.366 1.00 0.00 S ATOM 0 H CYS A 34 5.002 3.233 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 34 3.110 2.024 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.952 2.096 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.675 2.408 0.237 1.00 0.00 H new ATOM 546 N GLU A 35 4.502 4.714 0.283 1.00 0.00 N ATOM 547 CA GLU A 35 4.324 5.713 1.334 1.00 0.00 C ATOM 548 C GLU A 35 3.123 6.617 1.069 1.00 0.00 C ATOM 549 O GLU A 35 2.243 6.746 1.915 1.00 0.00 O ATOM 550 CB GLU A 35 5.591 6.555 1.495 1.00 0.00 C ATOM 551 CG GLU A 35 6.137 7.084 0.183 1.00 0.00 C ATOM 552 CD GLU A 35 6.388 8.579 0.213 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.577 9.305 0.826 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.397 9.023 -0.374 1.00 0.00 O ATOM 0 H GLU A 35 5.335 4.849 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 35 4.132 5.173 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.378 7.395 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.358 5.953 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.068 6.568 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.434 6.854 -0.617 1.00 0.00 H new ATOM 561 N GLU A 36 3.090 7.244 -0.103 1.00 0.00 N ATOM 562 CA GLU A 36 1.993 8.139 -0.460 1.00 0.00 C ATOM 563 C GLU A 36 0.638 7.490 -0.186 1.00 0.00 C ATOM 564 O GLU A 36 -0.352 8.174 0.075 1.00 0.00 O ATOM 565 CB GLU A 36 2.093 8.537 -1.935 1.00 0.00 C ATOM 566 CG GLU A 36 1.864 7.381 -2.896 1.00 0.00 C ATOM 567 CD GLU A 36 0.480 7.402 -3.515 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.481 7.769 -2.806 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.356 7.051 -4.707 1.00 0.00 O ATOM 0 H GLU A 36 3.809 7.150 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 36 2.074 9.032 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.363 9.320 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.079 8.963 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.612 7.418 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.007 6.439 -2.366 1.00 0.00 H new ATOM 576 N LEU A 37 0.609 6.166 -0.258 1.00 0.00 N ATOM 577 CA LEU A 37 -0.611 5.401 -0.032 1.00 0.00 C ATOM 578 C LEU A 37 -1.046 5.461 1.433 1.00 0.00 C ATOM 579 O LEU A 37 -2.233 5.590 1.732 1.00 0.00 O ATOM 580 CB LEU A 37 -0.388 3.946 -0.465 1.00 0.00 C ATOM 581 CG LEU A 37 -1.443 2.940 -0.001 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.848 3.452 -0.287 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.222 1.594 -0.676 1.00 0.00 C ATOM 0 H LEU A 37 1.426 5.594 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.410 5.841 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.339 3.915 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.584 3.622 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.342 2.814 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.579 2.718 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.007 4.393 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.966 3.612 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.980 0.888 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.295 1.713 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.233 1.216 -0.419 1.00 0.00 H new ATOM 595 N LYS A 38 -0.081 5.359 2.341 1.00 0.00 N ATOM 596 CA LYS A 38 -0.372 5.393 3.771 1.00 0.00 C ATOM 597 C LYS A 38 -0.983 6.731 4.185 1.00 0.00 C ATOM 598 O LYS A 38 -2.088 6.779 4.726 1.00 0.00 O ATOM 599 CB LYS A 38 0.904 5.133 4.576 1.00 0.00 C ATOM 600 CG LYS A 38 1.011 3.712 5.104 1.00 0.00 C ATOM 601 CD LYS A 38 1.120 3.684 6.622 1.00 0.00 C ATOM 602 CE LYS A 38 2.568 3.590 7.074 1.00 0.00 C ATOM 603 NZ LYS A 38 2.680 3.399 8.547 1.00 0.00 N ATOM 0 H LYS A 38 0.908 5.252 2.113 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.099 4.609 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.769 5.344 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.942 5.827 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.137 3.140 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.883 3.226 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.666 4.584 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.560 2.834 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.055 2.760 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.098 4.497 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.683 3.340 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.238 4.204 9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.196 2.520 8.821 1.00 0.00 H new ATOM 617 N LYS A 39 -0.255 7.814 3.931 1.00 0.00 N ATOM 618 CA LYS A 39 -0.716 9.154 4.279 1.00 0.00 C ATOM 619 C LYS A 39 -2.118 9.420 3.735 1.00 0.00 C ATOM 620 O LYS A 39 -2.870 10.214 4.299 1.00 0.00 O ATOM 621 CB LYS A 39 0.258 10.203 3.743 1.00 0.00 C ATOM 622 CG LYS A 39 0.388 10.195 2.228 1.00 0.00 C ATOM 623 CD LYS A 39 1.603 10.985 1.769 1.00 0.00 C ATOM 624 CE LYS A 39 1.449 11.461 0.333 1.00 0.00 C ATOM 625 NZ LYS A 39 2.758 11.534 -0.372 1.00 0.00 N ATOM 0 H LYS A 39 0.661 7.789 3.483 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.756 9.221 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.071 11.191 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.240 10.034 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.466 9.167 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.512 10.618 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.749 11.844 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.495 10.364 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.785 10.784 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.977 12.444 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.618 11.340 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.163 12.485 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.408 10.829 0.029 1.00 0.00 H new ATOM 639 N LYS A 40 -2.461 8.757 2.638 1.00 0.00 N ATOM 640 CA LYS A 40 -3.773 8.930 2.022 1.00 0.00 C ATOM 641 C LYS A 40 -4.875 8.359 2.910 1.00 0.00 C ATOM 642 O LYS A 40 -6.008 8.834 2.888 1.00 0.00 O ATOM 643 CB LYS A 40 -3.810 8.257 0.649 1.00 0.00 C ATOM 644 CG LYS A 40 -4.968 8.716 -0.221 1.00 0.00 C ATOM 645 CD LYS A 40 -4.553 8.852 -1.676 1.00 0.00 C ATOM 646 CE LYS A 40 -5.510 9.748 -2.445 1.00 0.00 C ATOM 647 NZ LYS A 40 -4.854 10.385 -3.621 1.00 0.00 N ATOM 0 H LYS A 40 -1.852 8.096 2.156 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.948 9.999 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.873 8.459 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.873 7.177 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.789 8.003 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.340 9.674 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.545 9.262 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.522 7.866 -2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.365 9.162 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.895 10.522 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.541 10.987 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.053 10.965 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.509 9.647 -4.268 1.00 0.00 H new ATOM 661 N ILE A 41 -4.534 7.343 3.696 1.00 0.00 N ATOM 662 CA ILE A 41 -5.501 6.721 4.594 1.00 0.00 C ATOM 663 C ILE A 41 -5.760 7.611 5.802 1.00 0.00 C ATOM 664 O ILE A 41 -6.867 7.641 6.339 1.00 0.00 O ATOM 665 CB ILE A 41 -5.021 5.339 5.079 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.409 4.546 3.919 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.177 4.571 5.708 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.980 3.145 4.298 1.00 0.00 C ATOM 0 H ILE A 41 -3.600 6.934 3.730 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.424 6.590 4.029 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.250 5.482 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.135 4.487 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.546 5.089 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.825 3.597 6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.566 5.131 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.968 4.435 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.557 2.646 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.230 3.195 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.844 2.584 4.654 1.00 0.00 H new ATOM 680 N GLU A 42 -4.732 8.343 6.221 1.00 0.00 N ATOM 681 CA GLU A 42 -4.849 9.243 7.361 1.00 0.00 C ATOM 682 C GLU A 42 -5.778 10.406 7.027 1.00 0.00 C ATOM 683 O GLU A 42 -6.469 10.933 7.898 1.00 0.00 O ATOM 684 CB GLU A 42 -3.471 9.769 7.769 1.00 0.00 C ATOM 685 CG GLU A 42 -2.904 9.092 9.006 1.00 0.00 C ATOM 686 CD GLU A 42 -2.972 9.974 10.238 1.00 0.00 C ATOM 687 OE1 GLU A 42 -4.023 10.610 10.455 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.972 10.028 10.984 1.00 0.00 O ATOM 0 H GLU A 42 -3.809 8.330 5.787 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.272 8.687 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.778 9.630 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.540 10.841 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.453 8.169 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.867 8.814 8.820 1.00 0.00 H new ATOM 695 N GLU A 43 -5.793 10.795 5.756 1.00 0.00 N ATOM 696 CA GLU A 43 -6.640 11.889 5.299 1.00 0.00 C ATOM 697 C GLU A 43 -8.090 11.428 5.181 1.00 0.00 C ATOM 698 O GLU A 43 -9.022 12.212 5.351 1.00 0.00 O ATOM 699 CB GLU A 43 -6.137 12.428 3.953 1.00 0.00 C ATOM 700 CG GLU A 43 -6.419 11.519 2.764 1.00 0.00 C ATOM 701 CD GLU A 43 -7.001 12.271 1.582 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.580 13.422 1.345 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.879 11.707 0.895 1.00 0.00 O ATOM 0 H GLU A 43 -5.227 10.367 5.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.593 12.693 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.598 13.399 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.062 12.593 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.495 11.028 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.111 10.734 3.067 1.00 0.00 H new ATOM 710 N LEU A 44 -8.262 10.144 4.887 1.00 0.00 N ATOM 711 CA LEU A 44 -9.586 9.555 4.741 1.00 0.00 C ATOM 712 C LEU A 44 -10.376 9.657 6.043 1.00 0.00 C ATOM 713 O LEU A 44 -9.800 9.829 7.118 1.00 0.00 O ATOM 714 CB LEU A 44 -9.461 8.089 4.315 1.00 0.00 C ATOM 715 CG LEU A 44 -9.498 7.850 2.804 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.092 6.419 2.482 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.883 8.151 2.253 1.00 0.00 C ATOM 0 H LEU A 44 -7.494 9.488 4.744 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.125 10.108 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.526 7.690 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.269 7.522 4.777 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.785 8.524 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.124 6.266 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.080 6.237 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.781 5.727 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.892 7.976 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.615 7.501 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.136 9.192 2.454 1.00 0.00 H new ATOM 729 N GLY A 45 -11.696 9.550 5.938 1.00 0.00 N ATOM 730 CA GLY A 45 -12.542 9.633 7.113 1.00 0.00 C ATOM 731 C GLY A 45 -13.716 8.676 7.051 1.00 0.00 C ATOM 732 O GLY A 45 -14.817 9.003 7.496 1.00 0.00 O ATOM 0 H GLY A 45 -12.195 9.407 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.948 9.417 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.913 10.652 7.218 1.00 0.00 H new ATOM 736 N GLY A 46 -13.482 7.491 6.498 1.00 0.00 N ATOM 737 CA GLY A 46 -14.537 6.501 6.389 1.00 0.00 C ATOM 738 C GLY A 46 -15.624 6.918 5.417 1.00 0.00 C ATOM 739 O GLY A 46 -15.887 8.108 5.242 1.00 0.00 O ATOM 0 H GLY A 46 -12.580 7.198 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.109 5.552 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.977 6.334 7.372 1.00 0.00 H new ATOM 743 N GLY A 47 -16.257 5.936 4.783 1.00 0.00 N ATOM 744 CA GLY A 47 -17.314 6.227 3.833 1.00 0.00 C ATOM 745 C GLY A 47 -17.198 5.402 2.566 1.00 0.00 C ATOM 746 O GLY A 47 -16.825 4.229 2.614 1.00 0.00 O ATOM 0 H GLY A 47 -16.057 4.944 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.280 6.037 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.287 7.286 3.577 1.00 0.00 H new ATOM 750 N GLY A 48 -17.517 6.015 1.431 1.00 0.00 N ATOM 751 CA GLY A 48 -17.441 5.313 0.163 1.00 0.00 C ATOM 752 C GLY A 48 -16.126 5.552 -0.554 1.00 0.00 C ATOM 753 O GLY A 48 -15.588 4.649 -1.195 1.00 0.00 O ATOM 0 H GLY A 48 -17.827 6.985 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.569 4.244 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.263 5.634 -0.476 1.00 0.00 H new ATOM 757 N GLU A 49 -15.608 6.771 -0.447 1.00 0.00 N ATOM 758 CA GLU A 49 -14.349 7.127 -1.090 1.00 0.00 C ATOM 759 C GLU A 49 -13.211 6.236 -0.598 1.00 0.00 C ATOM 760 O GLU A 49 -12.232 6.014 -1.311 1.00 0.00 O ATOM 761 CB GLU A 49 -14.014 8.596 -0.824 1.00 0.00 C ATOM 762 CG GLU A 49 -12.988 9.170 -1.786 1.00 0.00 C ATOM 763 CD GLU A 49 -13.537 10.319 -2.610 1.00 0.00 C ATOM 764 OE1 GLU A 49 -13.892 11.359 -2.016 1.00 0.00 O ATOM 765 OE2 GLU A 49 -13.615 10.178 -3.849 1.00 0.00 O ATOM 0 H GLU A 49 -16.041 7.530 0.080 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.464 6.975 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.929 9.186 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.640 8.696 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.121 9.514 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.642 8.382 -2.454 1.00 0.00 H new ATOM 772 N VAL A 50 -13.346 5.730 0.624 1.00 0.00 N ATOM 773 CA VAL A 50 -12.328 4.865 1.211 1.00 0.00 C ATOM 774 C VAL A 50 -12.046 3.656 0.323 1.00 0.00 C ATOM 775 O VAL A 50 -10.953 3.091 0.359 1.00 0.00 O ATOM 776 CB VAL A 50 -12.752 4.371 2.607 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.607 3.632 3.284 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.226 5.536 3.464 1.00 0.00 C ATOM 0 H VAL A 50 -14.150 5.904 1.227 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.421 5.463 1.300 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.582 3.675 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.926 3.291 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.320 2.773 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.754 4.302 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.522 5.168 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.418 6.259 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.079 6.017 2.985 1.00 0.00 H new ATOM 788 N LYS A 51 -13.036 3.266 -0.473 1.00 0.00 N ATOM 789 CA LYS A 51 -12.891 2.123 -1.370 1.00 0.00 C ATOM 790 C LYS A 51 -11.801 2.375 -2.407 1.00 0.00 C ATOM 791 O LYS A 51 -11.120 1.446 -2.844 1.00 0.00 O ATOM 792 CB LYS A 51 -14.218 1.828 -2.071 1.00 0.00 C ATOM 793 CG LYS A 51 -15.383 1.638 -1.112 1.00 0.00 C ATOM 794 CD LYS A 51 -15.234 0.362 -0.296 1.00 0.00 C ATOM 795 CE LYS A 51 -16.419 -0.570 -0.494 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.007 -2.001 -0.484 1.00 0.00 N ATOM 0 H LYS A 51 -13.947 3.723 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.602 1.259 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.449 2.646 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.107 0.929 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.446 2.495 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.316 1.604 -1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.316 -0.150 -0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.141 0.614 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.152 -0.398 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.908 -0.340 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.843 -2.604 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.327 -2.172 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.563 -2.228 0.429 1.00 0.00 H new ATOM 810 N LYS A 52 -11.641 3.635 -2.798 1.00 0.00 N ATOM 811 CA LYS A 52 -10.634 4.006 -3.786 1.00 0.00 C ATOM 812 C LYS A 52 -9.234 3.642 -3.298 1.00 0.00 C ATOM 813 O LYS A 52 -8.511 2.898 -3.959 1.00 0.00 O ATOM 814 CB LYS A 52 -10.715 5.507 -4.083 1.00 0.00 C ATOM 815 CG LYS A 52 -9.572 6.029 -4.939 1.00 0.00 C ATOM 816 CD LYS A 52 -9.881 7.407 -5.499 1.00 0.00 C ATOM 817 CE LYS A 52 -8.909 7.790 -6.603 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.693 6.676 -7.567 1.00 0.00 N ATOM 0 H LYS A 52 -12.195 4.416 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.832 3.450 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.658 5.717 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.729 6.054 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.660 6.073 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.384 5.336 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.899 7.423 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.833 8.145 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.290 8.661 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.955 8.078 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.349 7.060 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.989 6.015 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.590 6.174 -7.724 1.00 0.00 H new ATOM 832 N VAL A 53 -8.861 4.170 -2.137 1.00 0.00 N ATOM 833 CA VAL A 53 -7.549 3.901 -1.559 1.00 0.00 C ATOM 834 C VAL A 53 -7.329 2.404 -1.362 1.00 0.00 C ATOM 835 O VAL A 53 -6.193 1.933 -1.349 1.00 0.00 O ATOM 836 CB VAL A 53 -7.374 4.615 -0.204 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.945 4.471 0.294 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.761 6.081 -0.321 1.00 0.00 C ATOM 0 H VAL A 53 -9.449 4.787 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.811 4.285 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.036 4.145 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.840 4.981 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.708 3.414 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.261 4.914 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.631 6.570 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.126 6.567 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.803 6.159 -0.630 1.00 0.00 H new ATOM 848 N GLU A 54 -8.422 1.661 -1.209 1.00 0.00 N ATOM 849 CA GLU A 54 -8.342 0.217 -1.015 1.00 0.00 C ATOM 850 C GLU A 54 -7.798 -0.465 -2.266 1.00 0.00 C ATOM 851 O GLU A 54 -7.101 -1.476 -2.181 1.00 0.00 O ATOM 852 CB GLU A 54 -9.719 -0.350 -0.668 1.00 0.00 C ATOM 853 CG GLU A 54 -9.672 -1.755 -0.091 1.00 0.00 C ATOM 854 CD GLU A 54 -11.041 -2.268 0.309 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.984 -2.136 -0.500 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.171 -2.800 1.431 1.00 0.00 O ATOM 0 H GLU A 54 -9.371 2.034 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.660 0.021 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.205 0.312 0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.337 -0.356 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.236 -2.431 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.016 -1.764 0.780 1.00 0.00 H new ATOM 863 N GLU A 55 -8.118 0.101 -3.425 1.00 0.00 N ATOM 864 CA GLU A 55 -7.661 -0.446 -4.697 1.00 0.00 C ATOM 865 C GLU A 55 -6.201 -0.079 -4.950 1.00 0.00 C ATOM 866 O GLU A 55 -5.479 -0.800 -5.640 1.00 0.00 O ATOM 867 CB GLU A 55 -8.536 0.074 -5.840 1.00 0.00 C ATOM 868 CG GLU A 55 -8.134 -0.457 -7.206 1.00 0.00 C ATOM 869 CD GLU A 55 -7.389 0.571 -8.034 1.00 0.00 C ATOM 870 OE1 GLU A 55 -6.498 1.248 -7.480 1.00 0.00 O ATOM 871 OE2 GLU A 55 -7.698 0.700 -9.238 1.00 0.00 O ATOM 0 H GLU A 55 -8.693 0.939 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.742 -1.532 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.573 -0.198 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.490 1.163 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.507 -1.339 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.026 -0.775 -7.745 1.00 0.00 H new ATOM 878 N GLU A 56 -5.775 1.047 -4.388 1.00 0.00 N ATOM 879 CA GLU A 56 -4.405 1.517 -4.547 1.00 0.00 C ATOM 880 C GLU A 56 -3.426 0.625 -3.788 1.00 0.00 C ATOM 881 O GLU A 56 -2.264 0.491 -4.173 1.00 0.00 O ATOM 882 CB GLU A 56 -4.285 2.961 -4.054 1.00 0.00 C ATOM 883 CG GLU A 56 -4.681 3.994 -5.096 1.00 0.00 C ATOM 884 CD GLU A 56 -5.413 5.178 -4.494 1.00 0.00 C ATOM 885 OE1 GLU A 56 -5.044 5.599 -3.378 1.00 0.00 O ATOM 886 OE2 GLU A 56 -6.355 5.683 -5.140 1.00 0.00 O ATOM 0 H GLU A 56 -6.363 1.653 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.153 1.475 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.912 3.088 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.257 3.146 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.787 4.347 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.315 3.523 -5.847 1.00 0.00 H new ATOM 893 N VAL A 57 -3.906 0.015 -2.708 1.00 0.00 N ATOM 894 CA VAL A 57 -3.078 -0.865 -1.893 1.00 0.00 C ATOM 895 C VAL A 57 -3.025 -2.268 -2.483 1.00 0.00 C ATOM 896 O VAL A 57 -2.075 -3.014 -2.252 1.00 0.00 O ATOM 897 CB VAL A 57 -3.603 -0.952 -0.447 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.616 -1.699 0.436 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.884 0.439 0.107 1.00 0.00 C ATOM 0 H VAL A 57 -4.866 0.115 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.076 -0.436 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.540 -1.509 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.004 -1.750 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.475 -2.709 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.661 -1.174 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.254 0.356 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.965 1.026 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.634 0.932 -0.511 1.00 0.00 H new ATOM 909 N LYS A 58 -4.059 -2.624 -3.237 1.00 0.00 N ATOM 910 CA LYS A 58 -4.145 -3.939 -3.859 1.00 0.00 C ATOM 911 C LYS A 58 -3.215 -4.052 -5.065 1.00 0.00 C ATOM 912 O LYS A 58 -2.760 -5.143 -5.404 1.00 0.00 O ATOM 913 CB LYS A 58 -5.585 -4.220 -4.287 1.00 0.00 C ATOM 914 CG LYS A 58 -6.314 -5.186 -3.367 1.00 0.00 C ATOM 915 CD LYS A 58 -7.465 -5.874 -4.083 1.00 0.00 C ATOM 916 CE LYS A 58 -7.642 -7.307 -3.606 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.705 -8.267 -4.743 1.00 0.00 N ATOM 0 H LYS A 58 -4.854 -2.015 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.831 -4.678 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.135 -3.280 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.582 -4.626 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.615 -5.935 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.694 -4.647 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.386 -5.316 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.282 -5.867 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.815 -7.576 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.555 -7.383 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.826 -9.232 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.510 -8.026 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.823 -8.213 -5.292 1.00 0.00 H new ATOM 931 N LYS A 59 -2.952 -2.928 -5.721 1.00 0.00 N ATOM 932 CA LYS A 59 -2.091 -2.915 -6.901 1.00 0.00 C ATOM 933 C LYS A 59 -0.617 -3.031 -6.527 1.00 0.00 C ATOM 934 O LYS A 59 0.156 -3.683 -7.229 1.00 0.00 O ATOM 935 CB LYS A 59 -2.318 -1.637 -7.711 1.00 0.00 C ATOM 936 CG LYS A 59 -1.490 -1.570 -8.987 1.00 0.00 C ATOM 937 CD LYS A 59 -0.506 -0.408 -8.964 1.00 0.00 C ATOM 938 CE LYS A 59 -0.537 0.374 -10.266 1.00 0.00 C ATOM 939 NZ LYS A 59 0.420 -0.173 -11.267 1.00 0.00 N ATOM 0 H LYS A 59 -3.321 -2.014 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.355 -3.782 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.374 -1.563 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.081 -0.775 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.945 -2.505 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.154 -1.467 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.745 0.256 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.501 -0.786 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.546 0.352 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.297 1.419 -10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.367 0.389 -12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.386 -0.128 -10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.176 -1.162 -11.476 1.00 0.00 H new ATOM 953 N LEU A 60 -0.225 -2.391 -5.432 1.00 0.00 N ATOM 954 CA LEU A 60 1.167 -2.430 -4.994 1.00 0.00 C ATOM 955 C LEU A 60 1.499 -3.744 -4.299 1.00 0.00 C ATOM 956 O LEU A 60 2.652 -4.164 -4.277 1.00 0.00 O ATOM 957 CB LEU A 60 1.478 -1.262 -4.060 1.00 0.00 C ATOM 958 CG LEU A 60 2.969 -0.963 -3.906 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.239 0.525 -4.044 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.484 -1.484 -2.575 1.00 0.00 C ATOM 0 H LEU A 60 -0.844 -1.843 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 60 1.786 -2.347 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.977 -0.369 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.058 -1.476 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 60 3.504 -1.478 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.307 0.713 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.913 0.864 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.691 1.067 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.547 -1.262 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.942 -1.002 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.333 -2.562 -2.523 1.00 0.00 H new ATOM 972 N GLU A 61 0.487 -4.391 -3.736 1.00 0.00 N ATOM 973 CA GLU A 61 0.685 -5.658 -3.049 1.00 0.00 C ATOM 974 C GLU A 61 1.038 -6.753 -4.051 1.00 0.00 C ATOM 975 O GLU A 61 2.067 -7.416 -3.930 1.00 0.00 O ATOM 976 CB GLU A 61 -0.578 -6.034 -2.278 1.00 0.00 C ATOM 977 CG GLU A 61 -0.303 -6.559 -0.880 1.00 0.00 C ATOM 978 CD GLU A 61 -1.145 -7.771 -0.536 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.376 -7.617 -0.388 1.00 0.00 O ATOM 980 OE2 GLU A 61 -0.574 -8.876 -0.413 1.00 0.00 O ATOM 0 H GLU A 61 -0.477 -4.059 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 61 1.511 -5.553 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.225 -5.159 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.125 -6.791 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.752 -6.818 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.497 -5.769 -0.155 1.00 0.00 H new ATOM 987 N GLU A 62 0.175 -6.926 -5.045 1.00 0.00 N ATOM 988 CA GLU A 62 0.384 -7.928 -6.081 1.00 0.00 C ATOM 989 C GLU A 62 1.642 -7.618 -6.890 1.00 0.00 C ATOM 990 O GLU A 62 2.270 -8.518 -7.448 1.00 0.00 O ATOM 991 CB GLU A 62 -0.833 -7.982 -7.007 1.00 0.00 C ATOM 992 CG GLU A 62 -1.185 -9.386 -7.464 1.00 0.00 C ATOM 993 CD GLU A 62 -2.511 -9.445 -8.197 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.461 -8.764 -7.760 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.597 -10.172 -9.210 1.00 0.00 O ATOM 0 H GLU A 62 -0.681 -6.382 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 62 0.515 -8.898 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.691 -7.551 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.641 -7.361 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.396 -9.760 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.223 -10.047 -6.598 1.00 0.00 H new ATOM 1002 N GLU A 63 2.000 -6.340 -6.948 1.00 0.00 N ATOM 1003 CA GLU A 63 3.179 -5.903 -7.687 1.00 0.00 C ATOM 1004 C GLU A 63 4.445 -6.560 -7.136 1.00 0.00 C ATOM 1005 O GLU A 63 5.233 -7.137 -7.885 1.00 0.00 O ATOM 1006 CB GLU A 63 3.301 -4.378 -7.624 1.00 0.00 C ATOM 1007 CG GLU A 63 2.763 -3.674 -8.859 1.00 0.00 C ATOM 1008 CD GLU A 63 3.530 -4.036 -10.116 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.768 -3.870 -10.124 1.00 0.00 O ATOM 1010 OE2 GLU A 63 2.893 -4.484 -11.092 1.00 0.00 O ATOM 0 H GLU A 63 1.488 -5.586 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 63 3.065 -6.208 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.766 -4.015 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.349 -4.111 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.712 -3.933 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.809 -2.596 -8.707 1.00 0.00 H new ATOM 1017 N ILE A 64 4.628 -6.471 -5.822 1.00 0.00 N ATOM 1018 CA ILE A 64 5.792 -7.058 -5.167 1.00 0.00 C ATOM 1019 C ILE A 64 5.825 -8.572 -5.355 1.00 0.00 C ATOM 1020 O ILE A 64 6.885 -9.193 -5.280 1.00 0.00 O ATOM 1021 CB ILE A 64 5.802 -6.743 -3.658 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.582 -5.247 -3.419 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.112 -7.199 -3.032 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.641 -4.850 -1.959 1.00 0.00 C ATOM 0 H ILE A 64 3.984 -5.997 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 64 6.673 -6.617 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 64 4.985 -7.287 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.336 -4.685 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.612 -4.962 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.105 -6.970 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.227 -8.274 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.943 -6.680 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.476 -3.776 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.869 -5.384 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.620 -5.103 -1.552 1.00 0.00 H new ATOM 1036 N LYS A 65 4.658 -9.162 -5.593 1.00 0.00 N ATOM 1037 CA LYS A 65 4.558 -10.604 -5.785 1.00 0.00 C ATOM 1038 C LYS A 65 5.298 -11.041 -7.046 1.00 0.00 C ATOM 1039 O LYS A 65 5.820 -12.153 -7.117 1.00 0.00 O ATOM 1040 CB LYS A 65 3.088 -11.027 -5.865 1.00 0.00 C ATOM 1041 CG LYS A 65 2.639 -11.876 -4.686 1.00 0.00 C ATOM 1042 CD LYS A 65 2.570 -11.060 -3.405 1.00 0.00 C ATOM 1043 CE LYS A 65 3.195 -11.802 -2.235 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.173 -12.502 -1.409 1.00 0.00 N ATOM 0 H LYS A 65 3.770 -8.665 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 65 5.023 -11.093 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.463 -10.135 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.928 -11.585 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.660 -12.306 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.330 -12.708 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.084 -10.110 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.530 -10.828 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.917 -12.527 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.745 -11.098 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.641 -12.995 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.498 -11.808 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.665 -13.193 -1.997 1.00 0.00 H new ATOM 1058 N LYS A 66 5.343 -10.159 -8.039 1.00 0.00 N ATOM 1059 CA LYS A 66 6.023 -10.457 -9.294 1.00 0.00 C ATOM 1060 C LYS A 66 7.524 -10.607 -9.077 1.00 0.00 C ATOM 1061 O LYS A 66 8.095 -11.670 -9.325 1.00 0.00 O ATOM 1062 CB LYS A 66 5.752 -9.355 -10.320 1.00 0.00 C ATOM 1063 CG LYS A 66 4.325 -9.345 -10.841 1.00 0.00 C ATOM 1064 CD LYS A 66 4.015 -8.061 -11.593 1.00 0.00 C ATOM 1065 CE LYS A 66 2.522 -7.778 -11.618 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.090 -7.193 -12.918 1.00 0.00 N ATOM 0 H LYS A 66 4.917 -9.233 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 66 5.633 -11.401 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.971 -8.388 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.436 -9.477 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.171 -10.200 -11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.632 -9.456 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.537 -7.227 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.389 -8.136 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.974 -8.702 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.269 -7.093 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.066 -7.014 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.594 -6.298 -13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.308 -7.858 -13.687 1.00 0.00 H new ATOM 1080 N LEU A 67 8.159 -9.536 -8.611 1.00 0.00 N ATOM 1081 CA LEU A 67 9.591 -9.543 -8.357 1.00 0.00 C ATOM 1082 C LEU A 67 9.960 -10.617 -7.339 1.00 0.00 C ATOM 1083 O LEU A 67 9.035 -11.230 -6.766 1.00 0.00 O ATOM 1084 CB LEU A 67 10.034 -8.170 -7.855 1.00 0.00 C ATOM 1085 CG LEU A 67 9.136 -7.555 -6.775 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.865 -7.491 -5.441 1.00 0.00 C ATOM 1087 CD2 LEU A 67 8.660 -6.170 -7.193 1.00 0.00 C ATOM 1088 OXT LEU A 67 11.170 -10.836 -7.123 1.00 0.00 O ATOM 0 H LEU A 67 7.700 -8.650 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 67 10.106 -9.770 -9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.047 -8.253 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.078 -7.486 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 67 8.262 -8.195 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.210 -7.051 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.148 -8.497 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.760 -6.878 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.024 -5.753 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.521 -5.520 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.093 -6.245 -8.121 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.783 2.558 3.104 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.627 1.894 2.750 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.687 0.714 2.020 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.922 0.206 1.650 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.081 0.867 2.001 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.014 2.043 2.729 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.395 2.390 3.115 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.145 -0.006 1.649 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.700 1.735 2.894 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.729 3.484 3.676 1.00 0.00 H new HETATM 0 H5 HTS A 101 9.930 2.564 3.007 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.049 0.464 1.705 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.978 -0.721 1.079 1.00 0.00 H new