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 Set 1.1: A 38 LYS NZ :NH3+ 167:sc= 0.563 (180deg=0) USER MOD Set 1.2: A 101 HTS O1 : rot 172:sc= 1.48 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -123:sc= 0.731 (180deg=-0.561) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 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+ -167:sc= 0 (180deg=-0.0378) 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 39 LYS NZ :NH3+ -127:sc= -0.0153 (180deg=-0.538) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 -18.308 -4.524 12.843 1.00 0.00 N ATOM 2 CA GLY A 1 -18.330 -3.393 11.875 1.00 0.00 C ATOM 3 C GLY A 1 -16.974 -2.732 11.723 1.00 0.00 C ATOM 4 O GLY A 1 -16.742 -1.646 12.254 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.258 -4.942 12.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.635 -5.247 12.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.016 -4.175 13.778 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.664 -3.757 10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.057 -2.651 12.205 1.00 0.00 H new ATOM 10 N SER A 2 -16.075 -3.390 10.998 1.00 0.00 N ATOM 11 CA SER A 2 -14.734 -2.860 10.778 1.00 0.00 C ATOM 12 C SER A 2 -14.318 -3.023 9.320 1.00 0.00 C ATOM 13 O SER A 2 -14.869 -3.852 8.596 1.00 0.00 O ATOM 14 CB SER A 2 -13.728 -3.567 11.688 1.00 0.00 C ATOM 15 OG SER A 2 -13.834 -3.103 13.024 1.00 0.00 O ATOM 0 H SER A 2 -16.251 -4.291 10.553 1.00 0.00 H new ATOM 0 HA SER A 2 -14.747 -1.797 11.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.900 -4.643 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.717 -3.396 11.319 1.00 0.00 H new ATOM 0 HG SER A 2 -13.182 -3.572 13.586 1.00 0.00 H new ATOM 21 N ARG A 3 -13.344 -2.224 8.894 1.00 0.00 N ATOM 22 CA ARG A 3 -12.856 -2.281 7.521 1.00 0.00 C ATOM 23 C ARG A 3 -11.684 -1.325 7.318 1.00 0.00 C ATOM 24 O ARG A 3 -10.715 -1.652 6.633 1.00 0.00 O ATOM 25 CB ARG A 3 -13.982 -1.938 6.544 1.00 0.00 C ATOM 26 CG ARG A 3 -13.597 -2.119 5.084 1.00 0.00 C ATOM 27 CD ARG A 3 -14.675 -1.590 4.151 1.00 0.00 C ATOM 28 NE ARG A 3 -15.008 -2.548 3.100 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.751 -3.635 3.296 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.240 -3.904 4.500 1.00 0.00 N ATOM 31 NH2 ARG A 3 -16.007 -4.454 2.285 1.00 0.00 N ATOM 0 H ARG A 3 -12.878 -1.531 9.479 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.511 -3.296 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.846 -2.565 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.289 -0.905 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.659 -1.600 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.426 -3.176 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.571 -1.358 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.337 -0.658 3.698 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.650 -2.374 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.047 -3.276 5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.809 -4.738 4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.635 -4.251 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.576 -5.287 2.435 1.00 0.00 H new ATOM 45 N VAL A 4 -11.780 -0.143 7.918 1.00 0.00 N ATOM 46 CA VAL A 4 -10.729 0.861 7.801 1.00 0.00 C ATOM 47 C VAL A 4 -9.570 0.560 8.745 1.00 0.00 C ATOM 48 O VAL A 4 -8.425 0.916 8.468 1.00 0.00 O ATOM 49 CB VAL A 4 -11.264 2.274 8.099 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.212 3.324 7.778 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.544 2.535 7.319 1.00 0.00 C ATOM 0 H VAL A 4 -12.575 0.143 8.490 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.374 0.825 6.771 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.494 2.338 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.609 4.315 7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.325 3.148 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.947 3.263 6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.908 3.538 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.343 2.451 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.300 1.803 7.605 1.00 0.00 H new ATOM 61 N LYS A 5 -9.871 -0.098 9.859 1.00 0.00 N ATOM 62 CA LYS A 5 -8.849 -0.445 10.841 1.00 0.00 C ATOM 63 C LYS A 5 -7.896 -1.497 10.280 1.00 0.00 C ATOM 64 O LYS A 5 -6.723 -1.549 10.649 1.00 0.00 O ATOM 65 CB LYS A 5 -9.501 -0.960 12.126 1.00 0.00 C ATOM 66 CG LYS A 5 -9.451 0.036 13.274 1.00 0.00 C ATOM 67 CD LYS A 5 -10.565 1.065 13.168 1.00 0.00 C ATOM 68 CE LYS A 5 -11.144 1.401 14.533 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.530 2.628 15.109 1.00 0.00 N ATOM 0 H LYS A 5 -10.813 -0.402 10.105 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.276 0.454 11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.541 -1.213 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.004 -1.880 12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.534 -0.495 14.222 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.486 0.542 13.276 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.181 1.972 12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.354 0.683 12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.222 1.541 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.985 0.563 15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.952 2.823 16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.505 2.486 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.703 3.434 14.475 1.00 0.00 H new ATOM 83 N ALA A 6 -8.410 -2.333 9.384 1.00 0.00 N ATOM 84 CA ALA A 6 -7.614 -3.386 8.767 1.00 0.00 C ATOM 85 C ALA A 6 -6.809 -2.852 7.587 1.00 0.00 C ATOM 86 O ALA A 6 -5.776 -3.412 7.225 1.00 0.00 O ATOM 87 CB ALA A 6 -8.510 -4.532 8.322 1.00 0.00 C ATOM 0 H ALA A 6 -9.379 -2.300 9.068 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.910 -3.756 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.902 -5.312 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.033 -4.941 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.237 -4.165 7.598 1.00 0.00 H new ATOM 93 N LEU A 7 -7.296 -1.775 6.981 1.00 0.00 N ATOM 94 CA LEU A 7 -6.630 -1.169 5.831 1.00 0.00 C ATOM 95 C LEU A 7 -5.275 -0.575 6.216 1.00 0.00 C ATOM 96 O LEU A 7 -4.268 -0.821 5.551 1.00 0.00 O ATOM 97 CB LEU A 7 -7.519 -0.080 5.226 1.00 0.00 C ATOM 98 CG LEU A 7 -7.569 -0.054 3.698 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.372 1.144 3.212 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.162 -0.025 3.120 1.00 0.00 C ATOM 0 H LEU A 7 -8.153 -1.301 7.267 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.458 -1.953 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.533 -0.209 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.169 0.890 5.579 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.064 -0.962 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.397 1.147 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.389 1.081 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.905 2.063 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.216 -0.007 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.642 0.866 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.618 -0.913 3.441 1.00 0.00 H new ATOM 112 N GLU A 8 -5.261 0.219 7.280 1.00 0.00 N ATOM 113 CA GLU A 8 -4.036 0.864 7.744 1.00 0.00 C ATOM 114 C GLU A 8 -2.975 -0.155 8.149 1.00 0.00 C ATOM 115 O GLU A 8 -1.781 0.079 7.964 1.00 0.00 O ATOM 116 CB GLU A 8 -4.343 1.789 8.923 1.00 0.00 C ATOM 117 CG GLU A 8 -5.404 2.833 8.615 1.00 0.00 C ATOM 118 CD GLU A 8 -5.990 3.455 9.867 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.264 4.205 10.553 1.00 0.00 O ATOM 120 OE2 GLU A 8 -7.176 3.194 10.161 1.00 0.00 O ATOM 0 H GLU A 8 -6.086 0.433 7.840 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.638 1.447 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.672 1.187 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.426 2.293 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.969 3.616 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.203 2.373 8.034 1.00 0.00 H new ATOM 127 N GLU A 9 -3.409 -1.277 8.711 1.00 0.00 N ATOM 128 CA GLU A 9 -2.485 -2.321 9.147 1.00 0.00 C ATOM 129 C GLU A 9 -1.965 -3.143 7.965 1.00 0.00 C ATOM 130 O GLU A 9 -0.943 -3.819 8.071 1.00 0.00 O ATOM 131 CB GLU A 9 -3.165 -3.235 10.176 1.00 0.00 C ATOM 132 CG GLU A 9 -4.072 -4.295 9.568 1.00 0.00 C ATOM 133 CD GLU A 9 -3.565 -5.704 9.806 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.775 -6.232 10.919 1.00 0.00 O ATOM 135 OE2 GLU A 9 -2.957 -6.281 8.879 1.00 0.00 O ATOM 0 H GLU A 9 -4.393 -1.488 8.876 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.628 -1.835 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.396 -3.729 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.751 -2.621 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.072 -4.197 9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.160 -4.121 8.496 1.00 0.00 H new ATOM 142 N LYS A 10 -2.683 -3.089 6.847 1.00 0.00 N ATOM 143 CA LYS A 10 -2.302 -3.838 5.654 1.00 0.00 C ATOM 144 C LYS A 10 -1.066 -3.242 4.985 1.00 0.00 C ATOM 145 O LYS A 10 -0.159 -3.970 4.580 1.00 0.00 O ATOM 146 CB LYS A 10 -3.469 -3.869 4.661 1.00 0.00 C ATOM 147 CG LYS A 10 -4.136 -5.230 4.547 1.00 0.00 C ATOM 148 CD LYS A 10 -5.395 -5.165 3.697 1.00 0.00 C ATOM 149 CE LYS A 10 -6.566 -5.855 4.377 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.875 -5.348 3.881 1.00 0.00 N ATOM 0 H LYS A 10 -3.532 -2.534 6.742 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.057 -4.854 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.214 -3.133 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.107 -3.568 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.437 -5.943 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.386 -5.598 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.649 -4.123 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.207 -5.634 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.504 -6.929 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.502 -5.701 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.647 -5.844 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.946 -4.328 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.948 -5.518 2.858 1.00 0.00 H new ATOM 164 N VAL A 11 -1.041 -1.920 4.860 1.00 0.00 N ATOM 165 CA VAL A 11 0.079 -1.231 4.228 1.00 0.00 C ATOM 166 C VAL A 11 1.265 -1.093 5.170 1.00 0.00 C ATOM 167 O VAL A 11 2.409 -1.043 4.732 1.00 0.00 O ATOM 168 CB VAL A 11 -0.326 0.165 3.719 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.785 0.773 2.872 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.627 0.090 2.932 1.00 0.00 C ATOM 0 H VAL A 11 -1.784 -1.303 5.188 1.00 0.00 H new ATOM 0 HA VAL A 11 0.374 -1.848 3.379 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.486 0.812 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.478 1.759 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.690 0.866 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.982 0.130 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.897 1.086 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.497 -0.574 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.419 -0.295 3.574 1.00 0.00 H new ATOM 180 N LYS A 12 0.983 -1.025 6.459 1.00 0.00 N ATOM 181 CA LYS A 12 2.031 -0.892 7.465 1.00 0.00 C ATOM 182 C LYS A 12 2.936 -2.116 7.448 1.00 0.00 C ATOM 183 O LYS A 12 4.151 -2.009 7.623 1.00 0.00 O ATOM 184 CB LYS A 12 1.419 -0.708 8.855 1.00 0.00 C ATOM 185 CG LYS A 12 2.273 0.134 9.789 1.00 0.00 C ATOM 186 CD LYS A 12 3.084 -0.733 10.741 1.00 0.00 C ATOM 187 CE LYS A 12 2.598 -0.598 12.176 1.00 0.00 C ATOM 188 NZ LYS A 12 3.727 -0.418 13.130 1.00 0.00 N ATOM 0 H LYS A 12 0.037 -1.059 6.838 1.00 0.00 H new ATOM 0 HA LYS A 12 2.627 -0.011 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.439 -0.242 8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.260 -1.688 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.946 0.759 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.633 0.805 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.017 -1.776 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.135 -0.451 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.920 0.252 12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.028 -1.485 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.354 -0.330 14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.361 -1.241 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.256 0.443 12.883 1.00 0.00 H new ATOM 202 N ALA A 13 2.337 -3.277 7.211 1.00 0.00 N ATOM 203 CA ALA A 13 3.089 -4.526 7.139 1.00 0.00 C ATOM 204 C ALA A 13 3.710 -4.668 5.757 1.00 0.00 C ATOM 205 O ALA A 13 4.739 -5.320 5.577 1.00 0.00 O ATOM 206 CB ALA A 13 2.185 -5.710 7.446 1.00 0.00 C ATOM 0 H ALA A 13 1.333 -3.381 7.065 1.00 0.00 H new ATOM 0 HA ALA A 13 3.884 -4.508 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.762 -6.633 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.773 -5.602 8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.372 -5.744 6.721 1.00 0.00 H new ATOM 212 N LEU A 14 3.061 -4.035 4.790 1.00 0.00 N ATOM 213 CA LEU A 14 3.498 -4.043 3.405 1.00 0.00 C ATOM 214 C LEU A 14 4.852 -3.348 3.251 1.00 0.00 C ATOM 215 O LEU A 14 5.596 -3.615 2.307 1.00 0.00 O ATOM 216 CB LEU A 14 2.438 -3.342 2.554 1.00 0.00 C ATOM 217 CG LEU A 14 2.346 -3.807 1.101 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.894 -3.822 0.648 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.177 -2.911 0.197 1.00 0.00 C ATOM 0 H LEU A 14 2.209 -3.497 4.948 1.00 0.00 H new ATOM 0 HA LEU A 14 3.620 -5.074 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.466 -3.486 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.641 -2.271 2.562 1.00 0.00 H new ATOM 0 HG LEU A 14 2.744 -4.819 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.840 -4.155 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.323 -4.504 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.477 -2.818 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.098 -3.259 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.810 -1.887 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.220 -2.944 0.512 1.00 0.00 H new ATOM 231 N GLU A 15 5.151 -2.445 4.179 1.00 0.00 N ATOM 232 CA GLU A 15 6.400 -1.691 4.157 1.00 0.00 C ATOM 233 C GLU A 15 7.571 -2.542 4.640 1.00 0.00 C ATOM 234 O GLU A 15 8.568 -2.698 3.936 1.00 0.00 O ATOM 235 CB GLU A 15 6.254 -0.434 5.022 1.00 0.00 C ATOM 236 CG GLU A 15 7.559 0.303 5.271 1.00 0.00 C ATOM 237 CD GLU A 15 8.123 0.040 6.654 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.690 -0.939 7.295 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.999 0.815 7.094 1.00 0.00 O ATOM 0 H GLU A 15 4.539 -2.216 4.963 1.00 0.00 H new ATOM 0 HA GLU A 15 6.611 -1.399 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.551 0.246 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.819 -0.715 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.291 0.002 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.397 1.374 5.146 1.00 0.00 H new ATOM 246 N GLU A 16 7.447 -3.085 5.847 1.00 0.00 N ATOM 247 CA GLU A 16 8.499 -3.917 6.427 1.00 0.00 C ATOM 248 C GLU A 16 9.005 -4.957 5.428 1.00 0.00 C ATOM 249 O GLU A 16 10.156 -5.388 5.497 1.00 0.00 O ATOM 250 CB GLU A 16 7.985 -4.614 7.688 1.00 0.00 C ATOM 251 CG GLU A 16 6.813 -5.548 7.431 1.00 0.00 C ATOM 252 CD GLU A 16 6.771 -6.709 8.405 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.852 -7.170 8.828 1.00 0.00 O ATOM 254 OE2 GLU A 16 5.656 -7.158 8.745 1.00 0.00 O ATOM 0 H GLU A 16 6.629 -2.965 6.444 1.00 0.00 H new ATOM 0 HA GLU A 16 9.333 -3.265 6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.800 -5.182 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.685 -3.859 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.882 -4.985 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.876 -5.934 6.414 1.00 0.00 H new ATOM 261 N LYS A 17 8.138 -5.358 4.502 1.00 0.00 N ATOM 262 CA LYS A 17 8.499 -6.349 3.493 1.00 0.00 C ATOM 263 C LYS A 17 9.380 -5.739 2.405 1.00 0.00 C ATOM 264 O LYS A 17 10.345 -6.356 1.957 1.00 0.00 O ATOM 265 CB LYS A 17 7.239 -6.947 2.866 1.00 0.00 C ATOM 266 CG LYS A 17 7.525 -8.018 1.825 1.00 0.00 C ATOM 267 CD LYS A 17 7.338 -9.416 2.394 1.00 0.00 C ATOM 268 CE LYS A 17 6.611 -10.324 1.416 1.00 0.00 C ATOM 269 NZ LYS A 17 5.170 -9.968 1.291 1.00 0.00 N ATOM 0 H LYS A 17 7.181 -5.012 4.430 1.00 0.00 H new ATOM 0 HA LYS A 17 9.066 -7.137 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.619 -7.375 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.660 -6.148 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.863 -7.881 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.546 -7.907 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.311 -9.845 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.775 -9.358 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.087 -10.258 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.702 -11.359 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.666 -10.731 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.761 -9.840 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.076 -9.084 0.751 1.00 0.00 H new ATOM 283 N VAL A 18 9.038 -4.526 1.982 1.00 0.00 N ATOM 284 CA VAL A 18 9.795 -3.837 0.942 1.00 0.00 C ATOM 285 C VAL A 18 11.105 -3.275 1.483 1.00 0.00 C ATOM 286 O VAL A 18 12.164 -3.463 0.885 1.00 0.00 O ATOM 287 CB VAL A 18 8.987 -2.687 0.327 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.713 -2.100 -0.874 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.591 -3.155 -0.060 1.00 0.00 C ATOM 0 H VAL A 18 8.242 -4.000 2.343 1.00 0.00 H new ATOM 0 HA VAL A 18 10.009 -4.581 0.175 1.00 0.00 H new ATOM 0 HB VAL A 18 8.885 -1.903 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.122 -1.286 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.685 -1.719 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.853 -2.874 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.036 -2.323 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.667 -3.961 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.070 -3.516 0.826 1.00 0.00 H new ATOM 299 N LYS A 19 11.028 -2.578 2.612 1.00 0.00 N ATOM 300 CA LYS A 19 12.211 -1.982 3.225 1.00 0.00 C ATOM 301 C LYS A 19 13.349 -2.995 3.338 1.00 0.00 C ATOM 302 O LYS A 19 14.523 -2.638 3.240 1.00 0.00 O ATOM 303 CB LYS A 19 11.873 -1.431 4.610 1.00 0.00 C ATOM 304 CG LYS A 19 10.711 -0.452 4.608 1.00 0.00 C ATOM 305 CD LYS A 19 11.122 0.910 5.145 1.00 0.00 C ATOM 306 CE LYS A 19 12.014 1.651 4.163 1.00 0.00 C ATOM 307 NZ LYS A 19 12.081 3.108 4.461 1.00 0.00 N ATOM 0 H LYS A 19 10.160 -2.412 3.121 1.00 0.00 H new ATOM 0 HA LYS A 19 12.540 -1.166 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.636 -2.262 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.753 -0.936 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.329 -0.343 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.897 -0.852 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.232 1.505 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.647 0.785 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.018 1.228 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.638 1.505 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.699 3.576 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.127 3.518 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.464 3.249 5.418 1.00 0.00 H new ATOM 321 N ALA A 20 12.993 -4.259 3.544 1.00 0.00 N ATOM 322 CA ALA A 20 13.983 -5.323 3.673 1.00 0.00 C ATOM 323 C ALA A 20 14.321 -5.944 2.318 1.00 0.00 C ATOM 324 O ALA A 20 15.276 -6.712 2.199 1.00 0.00 O ATOM 325 CB ALA A 20 13.484 -6.393 4.632 1.00 0.00 C ATOM 0 H ALA A 20 12.026 -4.572 3.625 1.00 0.00 H new ATOM 0 HA ALA A 20 14.895 -4.881 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.232 -7.181 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.308 -5.950 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.554 -6.816 4.253 1.00 0.00 H new ATOM 331 N LEU A 21 13.535 -5.608 1.300 1.00 0.00 N ATOM 332 CA LEU A 21 13.748 -6.128 -0.040 1.00 0.00 C ATOM 333 C LEU A 21 15.070 -5.626 -0.613 1.00 0.00 C ATOM 334 O LEU A 21 15.663 -4.679 -0.097 1.00 0.00 O ATOM 335 CB LEU A 21 12.588 -5.705 -0.942 1.00 0.00 C ATOM 336 CG LEU A 21 11.986 -6.815 -1.804 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.535 -6.501 -2.140 1.00 0.00 C ATOM 338 CD2 LEU A 21 12.799 -7.010 -3.074 1.00 0.00 C ATOM 0 H LEU A 21 12.741 -4.974 1.382 1.00 0.00 H new ATOM 0 HA LEU A 21 13.792 -7.216 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.799 -5.286 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.933 -4.906 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 21 12.015 -7.744 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.122 -7.301 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.958 -6.416 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.484 -5.560 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.353 -7.804 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.806 -6.083 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.822 -7.282 -2.813 1.00 0.00 H new ATOM 350 N GLY A 22 15.525 -6.268 -1.682 1.00 0.00 N ATOM 351 CA GLY A 22 16.773 -5.876 -2.309 1.00 0.00 C ATOM 352 C GLY A 22 16.701 -5.920 -3.824 1.00 0.00 C ATOM 353 O GLY A 22 16.438 -6.971 -4.409 1.00 0.00 O ATOM 0 H GLY A 22 15.051 -7.054 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.035 -4.867 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.571 -6.536 -1.967 1.00 0.00 H new ATOM 357 N GLY A 23 16.936 -4.777 -4.460 1.00 0.00 N ATOM 358 CA GLY A 23 16.891 -4.712 -5.909 1.00 0.00 C ATOM 359 C GLY A 23 16.413 -3.366 -6.416 1.00 0.00 C ATOM 360 O GLY A 23 16.178 -2.447 -5.632 1.00 0.00 O ATOM 0 H GLY A 23 17.157 -3.895 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.884 -4.915 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.230 -5.493 -6.284 1.00 0.00 H new ATOM 364 N GLY A 24 16.267 -3.250 -7.733 1.00 0.00 N ATOM 365 CA GLY A 24 15.813 -2.003 -8.322 1.00 0.00 C ATOM 366 C GLY A 24 14.766 -2.217 -9.397 1.00 0.00 C ATOM 367 O GLY A 24 14.380 -3.351 -9.680 1.00 0.00 O ATOM 0 H GLY A 24 16.455 -3.997 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.402 -1.364 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.665 -1.475 -8.749 1.00 0.00 H new ATOM 371 N GLY A 25 14.305 -1.124 -9.999 1.00 0.00 N ATOM 372 CA GLY A 25 13.301 -1.219 -11.042 1.00 0.00 C ATOM 373 C GLY A 25 11.923 -1.531 -10.493 1.00 0.00 C ATOM 374 O GLY A 25 11.165 -0.624 -10.148 1.00 0.00 O ATOM 0 H GLY A 25 14.609 -0.175 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.265 -0.280 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.590 -1.994 -11.751 1.00 0.00 H new ATOM 378 N ARG A 26 11.598 -2.818 -10.409 1.00 0.00 N ATOM 379 CA ARG A 26 10.303 -3.250 -9.895 1.00 0.00 C ATOM 380 C ARG A 26 10.040 -2.665 -8.511 1.00 0.00 C ATOM 381 O ARG A 26 9.070 -1.935 -8.307 1.00 0.00 O ATOM 382 CB ARG A 26 10.245 -4.778 -9.828 1.00 0.00 C ATOM 383 CG ARG A 26 8.873 -5.359 -10.135 1.00 0.00 C ATOM 384 CD ARG A 26 7.767 -4.616 -9.401 1.00 0.00 C ATOM 385 NE ARG A 26 7.295 -3.455 -10.151 1.00 0.00 N ATOM 386 CZ ARG A 26 6.659 -3.535 -11.319 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.418 -4.718 -11.871 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.265 -2.430 -11.936 1.00 0.00 N ATOM 0 H ARG A 26 12.215 -3.580 -10.691 1.00 0.00 H new ATOM 0 HA ARG A 26 9.533 -2.888 -10.576 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.968 -5.190 -10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.550 -5.100 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.691 -5.313 -11.209 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.853 -6.412 -9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.933 -5.294 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.132 -4.293 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 26 7.462 -2.529 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.720 -5.571 -11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.931 -4.774 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.449 -1.519 -11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.778 -2.491 -12.830 1.00 0.00 H new ATOM 402 N ILE A 27 10.912 -2.994 -7.565 1.00 0.00 N ATOM 403 CA ILE A 27 10.782 -2.511 -6.194 1.00 0.00 C ATOM 404 C ILE A 27 10.699 -0.988 -6.143 1.00 0.00 C ATOM 405 O ILE A 27 10.082 -0.426 -5.240 1.00 0.00 O ATOM 406 CB ILE A 27 11.962 -2.980 -5.320 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.145 -4.496 -5.437 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.740 -2.580 -3.867 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.588 -4.919 -5.601 1.00 0.00 C ATOM 0 H ILE A 27 11.720 -3.596 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 27 9.856 -2.931 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 27 12.871 -2.495 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.734 -4.973 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.569 -4.859 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.582 -2.919 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.656 -1.495 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.822 -3.039 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.642 -6.005 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.998 -4.470 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.165 -4.587 -4.738 1.00 0.00 H new ATOM 421 N GLU A 28 11.329 -0.327 -7.108 1.00 0.00 N ATOM 422 CA GLU A 28 11.328 1.133 -7.162 1.00 0.00 C ATOM 423 C GLU A 28 9.907 1.683 -7.282 1.00 0.00 C ATOM 424 O GLU A 28 9.475 2.490 -6.461 1.00 0.00 O ATOM 425 CB GLU A 28 12.182 1.619 -8.336 1.00 0.00 C ATOM 426 CG GLU A 28 13.352 2.494 -7.914 1.00 0.00 C ATOM 427 CD GLU A 28 14.683 1.976 -8.424 1.00 0.00 C ATOM 428 OE1 GLU A 28 15.299 1.140 -7.731 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.108 2.406 -9.516 1.00 0.00 O ATOM 0 H GLU A 28 11.847 -0.777 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 28 11.756 1.504 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.563 0.755 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.551 2.178 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.195 3.507 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.382 2.553 -6.826 1.00 0.00 H new ATOM 436 N GLU A 29 9.186 1.243 -8.310 1.00 0.00 N ATOM 437 CA GLU A 29 7.815 1.696 -8.534 1.00 0.00 C ATOM 438 C GLU A 29 6.938 1.405 -7.318 1.00 0.00 C ATOM 439 O GLU A 29 5.965 2.113 -7.056 1.00 0.00 O ATOM 440 CB GLU A 29 7.227 1.020 -9.774 1.00 0.00 C ATOM 441 CG GLU A 29 5.775 1.390 -10.045 1.00 0.00 C ATOM 442 CD GLU A 29 5.530 1.770 -11.492 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.217 0.868 -12.298 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.652 2.969 -11.820 1.00 0.00 O ATOM 0 H GLU A 29 9.527 0.574 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 29 7.838 2.774 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.829 1.288 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.301 -0.061 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.134 0.549 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.490 2.222 -9.401 1.00 0.00 H new ATOM 451 N LEU A 30 7.289 0.356 -6.587 1.00 0.00 N ATOM 452 CA LEU A 30 6.539 -0.042 -5.401 1.00 0.00 C ATOM 453 C LEU A 30 6.806 0.897 -4.228 1.00 0.00 C ATOM 454 O LEU A 30 6.019 0.960 -3.289 1.00 0.00 O ATOM 455 CB LEU A 30 6.904 -1.472 -5.004 1.00 0.00 C ATOM 456 CG LEU A 30 6.349 -2.562 -5.922 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.387 -3.648 -6.152 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.077 -3.156 -5.334 1.00 0.00 C ATOM 0 H LEU A 30 8.092 -0.238 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 30 5.479 0.012 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.990 -1.559 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.545 -1.654 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 30 6.107 -2.110 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.973 -4.414 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.272 -3.213 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.662 -4.097 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.695 -3.930 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.296 -3.592 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.328 -2.372 -5.221 1.00 0.00 H new ATOM 470 N LYS A 31 7.932 1.602 -4.279 1.00 0.00 N ATOM 471 CA LYS A 31 8.316 2.517 -3.207 1.00 0.00 C ATOM 472 C LYS A 31 7.552 3.838 -3.275 1.00 0.00 C ATOM 473 O LYS A 31 6.868 4.217 -2.328 1.00 0.00 O ATOM 474 CB LYS A 31 9.820 2.786 -3.271 1.00 0.00 C ATOM 475 CG LYS A 31 10.343 3.604 -2.102 1.00 0.00 C ATOM 476 CD LYS A 31 11.578 2.968 -1.486 1.00 0.00 C ATOM 477 CE LYS A 31 11.225 2.134 -0.264 1.00 0.00 C ATOM 478 NZ LYS A 31 12.191 1.020 -0.052 1.00 0.00 N ATOM 0 H LYS A 31 8.596 1.558 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 31 8.062 2.039 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.350 1.834 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.048 3.309 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.582 4.612 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.565 3.698 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.072 2.339 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.287 3.746 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.209 2.773 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.221 1.726 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.915 0.476 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.188 0.395 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.145 1.410 0.085 1.00 0.00 H new ATOM 492 N LYS A 32 7.690 4.544 -4.391 1.00 0.00 N ATOM 493 CA LYS A 32 7.032 5.838 -4.577 1.00 0.00 C ATOM 494 C LYS A 32 5.539 5.781 -4.245 1.00 0.00 C ATOM 495 O LYS A 32 4.998 6.696 -3.624 1.00 0.00 O ATOM 496 CB LYS A 32 7.225 6.323 -6.016 1.00 0.00 C ATOM 497 CG LYS A 32 8.017 7.616 -6.121 1.00 0.00 C ATOM 498 CD LYS A 32 8.772 7.703 -7.439 1.00 0.00 C ATOM 499 CE LYS A 32 10.272 7.559 -7.235 1.00 0.00 C ATOM 500 NZ LYS A 32 11.044 8.465 -8.128 1.00 0.00 N ATOM 0 H LYS A 32 8.254 4.243 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 32 7.496 6.540 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.735 5.547 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.247 6.467 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.341 8.466 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.722 7.680 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.419 6.923 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.559 8.659 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.519 7.776 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.566 6.527 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.062 8.336 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.828 8.241 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.783 9.452 -7.931 1.00 0.00 H new ATOM 514 N LYS A 33 4.876 4.716 -4.679 1.00 0.00 N ATOM 515 CA LYS A 33 3.442 4.554 -4.448 1.00 0.00 C ATOM 516 C LYS A 33 3.139 4.029 -3.045 1.00 0.00 C ATOM 517 O LYS A 33 2.045 4.233 -2.524 1.00 0.00 O ATOM 518 CB LYS A 33 2.843 3.615 -5.495 1.00 0.00 C ATOM 519 CG LYS A 33 1.434 3.995 -5.921 1.00 0.00 C ATOM 520 CD LYS A 33 0.387 3.346 -5.030 1.00 0.00 C ATOM 521 CE LYS A 33 -0.088 2.019 -5.601 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.397 2.151 -6.297 1.00 0.00 N ATOM 0 H LYS A 33 5.308 3.949 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 33 2.987 5.540 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.489 3.605 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.832 2.601 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.322 5.079 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.271 3.692 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.803 3.187 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.463 4.019 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.657 1.636 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.176 1.289 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.084 1.497 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.743 3.127 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.279 1.921 -7.304 1.00 0.00 H new ATOM 536 N CYS A 34 4.098 3.327 -2.450 1.00 0.00 N ATOM 537 CA CYS A 34 3.915 2.749 -1.119 1.00 0.00 C ATOM 538 C CYS A 34 3.629 3.808 -0.052 1.00 0.00 C ATOM 539 O CYS A 34 2.616 3.739 0.643 1.00 0.00 O ATOM 540 CB CYS A 34 5.164 1.960 -0.721 1.00 0.00 C ATOM 541 SG CYS A 34 4.849 0.204 -0.358 1.00 0.00 S ATOM 0 H CYS A 34 5.011 3.143 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 34 3.047 2.092 -1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.896 2.028 -1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.611 2.427 0.156 1.00 0.00 H new ATOM 546 N GLU A 35 4.539 4.768 0.095 1.00 0.00 N ATOM 547 CA GLU A 35 4.392 5.814 1.103 1.00 0.00 C ATOM 548 C GLU A 35 3.200 6.722 0.819 1.00 0.00 C ATOM 549 O GLU A 35 2.328 6.883 1.666 1.00 0.00 O ATOM 550 CB GLU A 35 5.671 6.645 1.205 1.00 0.00 C ATOM 551 CG GLU A 35 6.231 7.059 -0.140 1.00 0.00 C ATOM 552 CD GLU A 35 6.636 8.519 -0.184 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.597 8.890 0.522 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.992 9.293 -0.923 1.00 0.00 O ATOM 0 H GLU A 35 5.385 4.843 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 35 4.209 5.317 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.468 7.538 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.426 6.071 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.097 6.439 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.486 6.870 -0.912 1.00 0.00 H new ATOM 561 N GLU A 36 3.166 7.316 -0.370 1.00 0.00 N ATOM 562 CA GLU A 36 2.076 8.212 -0.745 1.00 0.00 C ATOM 563 C GLU A 36 0.716 7.591 -0.431 1.00 0.00 C ATOM 564 O GLU A 36 -0.261 8.296 -0.182 1.00 0.00 O ATOM 565 CB GLU A 36 2.160 8.558 -2.232 1.00 0.00 C ATOM 566 CG GLU A 36 1.605 9.932 -2.568 1.00 0.00 C ATOM 567 CD GLU A 36 0.850 9.951 -3.883 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.422 9.512 -4.903 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.314 10.404 -3.892 1.00 0.00 O ATOM 0 H GLU A 36 3.879 7.194 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 36 2.178 9.125 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.201 8.508 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.616 7.806 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.941 10.257 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.424 10.649 -2.613 1.00 0.00 H new ATOM 576 N LEU A 37 0.668 6.265 -0.457 1.00 0.00 N ATOM 577 CA LEU A 37 -0.560 5.527 -0.190 1.00 0.00 C ATOM 578 C LEU A 37 -0.945 5.598 1.288 1.00 0.00 C ATOM 579 O LEU A 37 -2.125 5.692 1.626 1.00 0.00 O ATOM 580 CB LEU A 37 -0.379 4.070 -0.625 1.00 0.00 C ATOM 581 CG LEU A 37 -1.491 3.105 -0.205 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.861 3.685 -0.527 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.306 1.755 -0.887 1.00 0.00 C ATOM 0 H LEU A 37 1.474 5.674 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.370 5.982 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.292 4.043 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.565 3.705 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.431 2.960 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.635 2.982 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.993 4.626 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.938 3.863 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.104 1.079 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.339 1.886 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.342 1.332 -0.602 1.00 0.00 H new ATOM 595 N LYS A 38 0.053 5.542 2.163 1.00 0.00 N ATOM 596 CA LYS A 38 -0.192 5.589 3.604 1.00 0.00 C ATOM 597 C LYS A 38 -0.787 6.933 4.029 1.00 0.00 C ATOM 598 O LYS A 38 -1.874 6.985 4.604 1.00 0.00 O ATOM 599 CB LYS A 38 1.109 5.329 4.369 1.00 0.00 C ATOM 600 CG LYS A 38 1.121 4.002 5.114 1.00 0.00 C ATOM 601 CD LYS A 38 2.418 3.243 4.889 1.00 0.00 C ATOM 602 CE LYS A 38 3.371 3.405 6.062 1.00 0.00 C ATOM 603 NZ LYS A 38 4.468 2.399 6.030 1.00 0.00 N ATOM 0 H LYS A 38 1.036 5.464 1.903 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.916 4.810 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.944 5.351 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.270 6.138 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.985 4.182 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.280 3.392 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.200 2.185 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.897 3.602 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.798 4.408 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.817 3.308 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.210 2.672 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.090 1.465 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.871 2.356 5.072 1.00 0.00 H new ATOM 617 N LYS A 39 -0.067 8.014 3.745 1.00 0.00 N ATOM 618 CA LYS A 39 -0.517 9.357 4.100 1.00 0.00 C ATOM 619 C LYS A 39 -1.942 9.612 3.615 1.00 0.00 C ATOM 620 O LYS A 39 -2.672 10.411 4.202 1.00 0.00 O ATOM 621 CB LYS A 39 0.429 10.404 3.509 1.00 0.00 C ATOM 622 CG LYS A 39 0.406 10.460 1.990 1.00 0.00 C ATOM 623 CD LYS A 39 1.628 11.177 1.440 1.00 0.00 C ATOM 624 CE LYS A 39 1.582 12.667 1.741 1.00 0.00 C ATOM 625 NZ LYS A 39 2.259 12.995 3.025 1.00 0.00 N ATOM 0 H LYS A 39 0.834 7.986 3.268 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.509 9.435 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.164 11.385 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.445 10.191 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.366 9.448 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.497 10.971 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.530 10.745 1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.687 11.024 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.058 13.216 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.544 12.997 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.613 13.544 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.523 12.115 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.114 13.555 2.833 1.00 0.00 H new ATOM 639 N LYS A 40 -2.330 8.933 2.541 1.00 0.00 N ATOM 640 CA LYS A 40 -3.666 9.090 1.979 1.00 0.00 C ATOM 641 C LYS A 40 -4.726 8.479 2.893 1.00 0.00 C ATOM 642 O LYS A 40 -5.887 8.884 2.868 1.00 0.00 O ATOM 643 CB LYS A 40 -3.739 8.446 0.594 1.00 0.00 C ATOM 644 CG LYS A 40 -5.063 8.681 -0.117 1.00 0.00 C ATOM 645 CD LYS A 40 -4.913 9.658 -1.272 1.00 0.00 C ATOM 646 CE LYS A 40 -6.174 10.483 -1.472 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.341 10.907 -2.889 1.00 0.00 N ATOM 0 H LYS A 40 -1.738 8.269 2.042 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.867 10.158 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.930 8.838 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.574 7.373 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.450 7.733 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.795 9.066 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.069 10.321 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.687 9.110 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.042 9.900 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.137 11.364 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.212 11.467 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.525 11.484 -3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.402 10.066 -3.498 1.00 0.00 H new ATOM 661 N ILE A 41 -4.322 7.501 3.698 1.00 0.00 N ATOM 662 CA ILE A 41 -5.244 6.843 4.617 1.00 0.00 C ATOM 663 C ILE A 41 -5.503 7.714 5.842 1.00 0.00 C ATOM 664 O ILE A 41 -6.620 7.762 6.357 1.00 0.00 O ATOM 665 CB ILE A 41 -4.705 5.474 5.080 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.097 4.712 3.898 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.815 4.662 5.732 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.648 3.308 4.246 1.00 0.00 C ATOM 0 H ILE A 41 -3.366 7.148 3.733 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.176 6.688 4.074 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.921 5.639 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.831 4.661 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.244 5.273 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.420 3.698 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.202 5.202 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.619 4.503 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.228 2.830 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.890 3.352 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.502 2.730 4.600 1.00 0.00 H new ATOM 680 N GLU A 42 -4.463 8.403 6.300 1.00 0.00 N ATOM 681 CA GLU A 42 -4.577 9.278 7.461 1.00 0.00 C ATOM 682 C GLU A 42 -5.471 10.475 7.151 1.00 0.00 C ATOM 683 O GLU A 42 -6.134 11.013 8.037 1.00 0.00 O ATOM 684 CB GLU A 42 -3.193 9.759 7.902 1.00 0.00 C ATOM 685 CG GLU A 42 -2.494 8.806 8.857 1.00 0.00 C ATOM 686 CD GLU A 42 -2.534 9.286 10.294 1.00 0.00 C ATOM 687 OE1 GLU A 42 -3.615 9.721 10.745 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.485 9.227 10.969 1.00 0.00 O ATOM 0 H GLU A 42 -3.532 8.372 5.885 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.030 8.709 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.568 9.899 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.292 10.733 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.963 7.824 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.456 8.684 8.547 1.00 0.00 H new ATOM 695 N GLU A 43 -5.485 10.882 5.886 1.00 0.00 N ATOM 696 CA GLU A 43 -6.301 12.012 5.456 1.00 0.00 C ATOM 697 C GLU A 43 -7.759 11.591 5.299 1.00 0.00 C ATOM 698 O GLU A 43 -8.676 12.388 5.494 1.00 0.00 O ATOM 699 CB GLU A 43 -5.765 12.581 4.134 1.00 0.00 C ATOM 700 CG GLU A 43 -6.073 11.729 2.911 1.00 0.00 C ATOM 701 CD GLU A 43 -6.064 12.531 1.626 1.00 0.00 C ATOM 702 OE1 GLU A 43 -4.971 12.963 1.203 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.151 12.729 1.042 1.00 0.00 O ATOM 0 H GLU A 43 -4.941 10.447 5.141 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.247 12.788 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.185 13.575 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.685 12.700 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.340 10.925 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.049 11.260 3.036 1.00 0.00 H new ATOM 710 N LEU A 44 -7.956 10.327 4.944 1.00 0.00 N ATOM 711 CA LEU A 44 -9.291 9.775 4.753 1.00 0.00 C ATOM 712 C LEU A 44 -10.115 9.879 6.033 1.00 0.00 C ATOM 713 O LEU A 44 -9.570 10.073 7.119 1.00 0.00 O ATOM 714 CB LEU A 44 -9.191 8.314 4.307 1.00 0.00 C ATOM 715 CG LEU A 44 -9.272 8.093 2.797 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.097 6.620 2.463 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.595 8.611 2.253 1.00 0.00 C ATOM 0 H LEU A 44 -7.201 9.661 4.782 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.795 10.354 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.249 7.903 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.990 7.748 4.785 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.464 8.650 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.158 6.482 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.124 6.279 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.883 6.041 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.636 8.446 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.418 8.081 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.681 9.678 2.460 1.00 0.00 H new ATOM 729 N GLY A 45 -11.430 9.747 5.894 1.00 0.00 N ATOM 730 CA GLY A 45 -12.309 9.828 7.046 1.00 0.00 C ATOM 731 C GLY A 45 -12.847 8.473 7.460 1.00 0.00 C ATOM 732 O GLY A 45 -12.832 8.126 8.641 1.00 0.00 O ATOM 0 H GLY A 45 -11.903 9.585 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.768 10.272 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.142 10.492 6.817 1.00 0.00 H new ATOM 736 N GLY A 46 -13.323 7.704 6.485 1.00 0.00 N ATOM 737 CA GLY A 46 -13.861 6.388 6.776 1.00 0.00 C ATOM 738 C GLY A 46 -15.160 6.114 6.042 1.00 0.00 C ATOM 739 O GLY A 46 -16.223 6.038 6.656 1.00 0.00 O ATOM 0 H GLY A 46 -13.346 7.969 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.127 5.631 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.028 6.297 7.849 1.00 0.00 H new ATOM 743 N GLY A 47 -15.072 5.966 4.724 1.00 0.00 N ATOM 744 CA GLY A 47 -16.256 5.698 3.928 1.00 0.00 C ATOM 745 C GLY A 47 -16.337 6.575 2.693 1.00 0.00 C ATOM 746 O GLY A 47 -15.918 7.732 2.716 1.00 0.00 O ATOM 0 H GLY A 47 -14.203 6.027 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.258 4.651 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.144 5.855 4.540 1.00 0.00 H new ATOM 750 N GLY A 48 -16.878 6.022 1.613 1.00 0.00 N ATOM 751 CA GLY A 48 -17.005 6.774 0.378 1.00 0.00 C ATOM 752 C GLY A 48 -15.725 6.778 -0.435 1.00 0.00 C ATOM 753 O GLY A 48 -15.683 6.242 -1.543 1.00 0.00 O ATOM 0 H GLY A 48 -17.231 5.066 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.810 6.349 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.288 7.801 0.609 1.00 0.00 H new ATOM 757 N GLU A 49 -14.679 7.384 0.116 1.00 0.00 N ATOM 758 CA GLU A 49 -13.391 7.457 -0.565 1.00 0.00 C ATOM 759 C GLU A 49 -12.471 6.325 -0.117 1.00 0.00 C ATOM 760 O GLU A 49 -11.540 5.951 -0.830 1.00 0.00 O ATOM 761 CB GLU A 49 -12.725 8.808 -0.297 1.00 0.00 C ATOM 762 CG GLU A 49 -11.381 8.972 -0.988 1.00 0.00 C ATOM 763 CD GLU A 49 -11.305 10.232 -1.829 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.162 10.404 -2.720 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.388 11.048 -1.594 1.00 0.00 O ATOM 0 H GLU A 49 -14.697 7.832 1.032 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.569 7.353 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.393 9.604 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.589 8.930 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.591 8.993 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.195 8.105 -1.622 1.00 0.00 H new ATOM 772 N VAL A 50 -12.735 5.783 1.069 1.00 0.00 N ATOM 773 CA VAL A 50 -11.930 4.695 1.613 1.00 0.00 C ATOM 774 C VAL A 50 -11.812 3.540 0.623 1.00 0.00 C ATOM 775 O VAL A 50 -10.819 2.812 0.620 1.00 0.00 O ATOM 776 CB VAL A 50 -12.527 4.169 2.934 1.00 0.00 C ATOM 777 CG1 VAL A 50 -13.903 3.564 2.701 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.592 3.158 3.579 1.00 0.00 C ATOM 0 H VAL A 50 -13.502 6.081 1.672 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.937 5.101 1.803 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.641 5.011 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.305 3.199 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.570 4.323 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.822 2.735 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.031 2.799 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.441 2.318 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.633 3.632 3.789 1.00 0.00 H new ATOM 788 N LYS A 51 -12.832 3.377 -0.211 1.00 0.00 N ATOM 789 CA LYS A 51 -12.847 2.309 -1.204 1.00 0.00 C ATOM 790 C LYS A 51 -11.773 2.532 -2.267 1.00 0.00 C ATOM 791 O LYS A 51 -11.108 1.590 -2.698 1.00 0.00 O ATOM 792 CB LYS A 51 -14.224 2.218 -1.863 1.00 0.00 C ATOM 793 CG LYS A 51 -15.091 1.097 -1.309 1.00 0.00 C ATOM 794 CD LYS A 51 -15.345 0.018 -2.349 1.00 0.00 C ATOM 795 CE LYS A 51 -14.108 -0.835 -2.580 1.00 0.00 C ATOM 796 NZ LYS A 51 -13.938 -1.866 -1.519 1.00 0.00 N ATOM 0 H LYS A 51 -13.661 3.972 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.633 1.370 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.744 3.167 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.095 2.071 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.604 0.657 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.042 1.506 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.170 -0.616 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.650 0.480 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.180 -1.323 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.226 -0.195 -2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.084 -2.426 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.844 -1.400 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.768 -2.493 -1.508 1.00 0.00 H new ATOM 810 N LYS A 52 -11.613 3.782 -2.690 1.00 0.00 N ATOM 811 CA LYS A 52 -10.622 4.123 -3.706 1.00 0.00 C ATOM 812 C LYS A 52 -9.215 3.760 -3.243 1.00 0.00 C ATOM 813 O LYS A 52 -8.512 2.997 -3.904 1.00 0.00 O ATOM 814 CB LYS A 52 -10.699 5.618 -4.034 1.00 0.00 C ATOM 815 CG LYS A 52 -9.571 6.111 -4.926 1.00 0.00 C ATOM 816 CD LYS A 52 -9.502 5.323 -6.225 1.00 0.00 C ATOM 817 CE LYS A 52 -8.385 5.827 -7.126 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.914 6.511 -8.338 1.00 0.00 N ATOM 0 H LYS A 52 -12.155 4.574 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.843 3.547 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.652 5.824 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.688 6.185 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.717 7.168 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.622 6.025 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.343 4.268 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.455 5.399 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.752 6.516 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.756 4.989 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.121 6.839 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.498 5.846 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.493 7.326 -8.052 1.00 0.00 H new ATOM 832 N VAL A 53 -8.811 4.308 -2.101 1.00 0.00 N ATOM 833 CA VAL A 53 -7.487 4.043 -1.548 1.00 0.00 C ATOM 834 C VAL A 53 -7.254 2.547 -1.365 1.00 0.00 C ATOM 835 O VAL A 53 -6.114 2.083 -1.375 1.00 0.00 O ATOM 836 CB VAL A 53 -7.292 4.753 -0.194 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.856 4.609 0.285 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.683 6.219 -0.300 1.00 0.00 C ATOM 0 H VAL A 53 -9.383 4.939 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.763 4.434 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.943 4.279 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.739 5.117 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.616 3.552 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.182 5.054 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.539 6.705 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.060 6.708 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.730 6.296 -0.592 1.00 0.00 H new ATOM 848 N GLU A 54 -8.337 1.795 -1.199 1.00 0.00 N ATOM 849 CA GLU A 54 -8.243 0.351 -1.017 1.00 0.00 C ATOM 850 C GLU A 54 -7.707 -0.315 -2.282 1.00 0.00 C ATOM 851 O GLU A 54 -6.930 -1.266 -2.213 1.00 0.00 O ATOM 852 CB GLU A 54 -9.612 -0.230 -0.655 1.00 0.00 C ATOM 853 CG GLU A 54 -9.746 -0.600 0.813 1.00 0.00 C ATOM 854 CD GLU A 54 -10.581 -1.848 1.026 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.018 -2.960 0.942 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.796 -1.713 1.278 1.00 0.00 O ATOM 0 H GLU A 54 -9.289 2.161 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.550 0.152 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.384 0.495 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.794 -1.116 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.754 -0.754 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.198 0.232 1.354 1.00 0.00 H new ATOM 863 N GLU A 55 -8.127 0.197 -3.434 1.00 0.00 N ATOM 864 CA GLU A 55 -7.689 -0.341 -4.717 1.00 0.00 C ATOM 865 C GLU A 55 -6.231 0.019 -4.986 1.00 0.00 C ATOM 866 O GLU A 55 -5.522 -0.701 -5.689 1.00 0.00 O ATOM 867 CB GLU A 55 -8.575 0.194 -5.844 1.00 0.00 C ATOM 868 CG GLU A 55 -8.186 -0.319 -7.222 1.00 0.00 C ATOM 869 CD GLU A 55 -9.233 -1.235 -7.823 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.422 -0.855 -7.827 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.864 -2.333 -8.290 1.00 0.00 O ATOM 0 H GLU A 55 -8.771 0.985 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.776 -1.427 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.610 -0.081 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.529 1.283 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.025 0.528 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.239 -0.854 -7.152 1.00 0.00 H new ATOM 878 N GLU A 56 -5.791 1.140 -4.421 1.00 0.00 N ATOM 879 CA GLU A 56 -4.420 1.603 -4.594 1.00 0.00 C ATOM 880 C GLU A 56 -3.441 0.706 -3.842 1.00 0.00 C ATOM 881 O GLU A 56 -2.285 0.562 -4.238 1.00 0.00 O ATOM 882 CB GLU A 56 -4.290 3.046 -4.103 1.00 0.00 C ATOM 883 CG GLU A 56 -4.691 4.080 -5.144 1.00 0.00 C ATOM 884 CD GLU A 56 -3.811 5.313 -5.107 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.013 6.161 -4.212 1.00 0.00 O ATOM 886 OE2 GLU A 56 -2.920 5.433 -5.974 1.00 0.00 O ATOM 0 H GLU A 56 -6.368 1.746 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.176 1.560 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.909 3.177 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.258 3.227 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.640 3.631 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.728 4.373 -4.980 1.00 0.00 H new ATOM 893 N VAL A 57 -3.914 0.104 -2.756 1.00 0.00 N ATOM 894 CA VAL A 57 -3.087 -0.781 -1.946 1.00 0.00 C ATOM 895 C VAL A 57 -3.054 -2.186 -2.531 1.00 0.00 C ATOM 896 O VAL A 57 -2.111 -2.941 -2.305 1.00 0.00 O ATOM 897 CB VAL A 57 -3.597 -0.860 -0.493 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.605 -1.614 0.379 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.859 0.532 0.064 1.00 0.00 C ATOM 0 H VAL A 57 -4.869 0.214 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.081 -0.360 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.540 -1.407 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.981 -1.660 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.477 -2.625 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.645 -1.097 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.218 0.452 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.935 1.110 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.612 1.032 -0.546 1.00 0.00 H new ATOM 909 N LYS A 58 -4.099 -2.533 -3.274 1.00 0.00 N ATOM 910 CA LYS A 58 -4.205 -3.850 -3.889 1.00 0.00 C ATOM 911 C LYS A 58 -3.284 -3.975 -5.100 1.00 0.00 C ATOM 912 O LYS A 58 -2.837 -5.070 -5.437 1.00 0.00 O ATOM 913 CB LYS A 58 -5.653 -4.116 -4.305 1.00 0.00 C ATOM 914 CG LYS A 58 -6.398 -5.039 -3.353 1.00 0.00 C ATOM 915 CD LYS A 58 -6.655 -6.399 -3.981 1.00 0.00 C ATOM 916 CE LYS A 58 -8.081 -6.514 -4.501 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.164 -7.381 -5.708 1.00 0.00 N ATOM 0 H LYS A 58 -4.889 -1.916 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.895 -4.592 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.185 -3.167 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.661 -4.553 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.819 -5.163 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.347 -4.583 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.954 -6.561 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.471 -7.181 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.721 -6.920 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.461 -5.521 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.151 -7.433 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.573 -6.980 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.825 -8.336 -5.473 1.00 0.00 H new ATOM 931 N LYS A 59 -3.015 -2.853 -5.760 1.00 0.00 N ATOM 932 CA LYS A 59 -2.157 -2.849 -6.940 1.00 0.00 C ATOM 933 C LYS A 59 -0.684 -2.977 -6.563 1.00 0.00 C ATOM 934 O LYS A 59 0.078 -3.668 -7.239 1.00 0.00 O ATOM 935 CB LYS A 59 -2.371 -1.569 -7.751 1.00 0.00 C ATOM 936 CG LYS A 59 -1.626 -1.556 -9.078 1.00 0.00 C ATOM 937 CD LYS A 59 -0.491 -0.541 -9.080 1.00 0.00 C ATOM 938 CE LYS A 59 -0.540 0.350 -10.312 1.00 0.00 C ATOM 939 NZ LYS A 59 -1.150 1.676 -10.014 1.00 0.00 N ATOM 0 H LYS A 59 -3.378 -1.936 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.431 -3.713 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.437 -1.443 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.051 -0.714 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.225 -2.549 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.323 -1.324 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.551 0.074 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.465 -1.063 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.470 0.493 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.113 -0.145 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.165 2.253 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.122 1.541 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.589 2.160 -9.284 1.00 0.00 H new ATOM 953 N LEU A 60 -0.283 -2.305 -5.489 1.00 0.00 N ATOM 954 CA LEU A 60 1.105 -2.349 -5.040 1.00 0.00 C ATOM 955 C LEU A 60 1.429 -3.672 -4.358 1.00 0.00 C ATOM 956 O LEU A 60 2.583 -4.094 -4.330 1.00 0.00 O ATOM 957 CB LEU A 60 1.404 -1.191 -4.088 1.00 0.00 C ATOM 958 CG LEU A 60 2.892 -0.969 -3.814 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.242 0.507 -3.884 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.276 -1.552 -2.464 1.00 0.00 C ATOM 0 H LEU A 60 -0.896 -1.726 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 60 1.735 -2.255 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.983 -0.276 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.896 -1.374 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 60 3.463 -1.485 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.306 0.639 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.008 0.890 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.664 1.054 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.338 -1.385 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.695 -1.067 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.071 -2.622 -2.458 1.00 0.00 H new ATOM 972 N GLU A 61 0.411 -4.326 -3.811 1.00 0.00 N ATOM 973 CA GLU A 61 0.601 -5.601 -3.135 1.00 0.00 C ATOM 974 C GLU A 61 0.957 -6.690 -4.140 1.00 0.00 C ATOM 975 O GLU A 61 1.992 -7.347 -4.022 1.00 0.00 O ATOM 976 CB GLU A 61 -0.667 -5.983 -2.372 1.00 0.00 C ATOM 977 CG GLU A 61 -0.397 -6.552 -0.991 1.00 0.00 C ATOM 978 CD GLU A 61 -1.431 -7.578 -0.569 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.438 -8.686 -1.145 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.233 -7.273 0.338 1.00 0.00 O ATOM 0 H GLU A 61 -0.553 -3.994 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 61 1.424 -5.501 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.302 -5.102 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.225 -6.716 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.591 -7.012 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.380 -5.739 -0.265 1.00 0.00 H new ATOM 987 N GLU A 62 0.096 -6.866 -5.135 1.00 0.00 N ATOM 988 CA GLU A 62 0.316 -7.862 -6.172 1.00 0.00 C ATOM 989 C GLU A 62 1.606 -7.571 -6.931 1.00 0.00 C ATOM 990 O GLU A 62 2.238 -8.476 -7.477 1.00 0.00 O ATOM 991 CB GLU A 62 -0.869 -7.882 -7.140 1.00 0.00 C ATOM 992 CG GLU A 62 -1.217 -9.271 -7.646 1.00 0.00 C ATOM 993 CD GLU A 62 -2.243 -9.245 -8.763 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.356 -8.727 -8.536 1.00 0.00 O ATOM 995 OE2 GLU A 62 -1.931 -9.742 -9.866 1.00 0.00 O ATOM 0 H GLU A 62 -0.764 -6.329 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 62 0.406 -8.840 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.741 -7.456 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.643 -7.240 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.311 -9.762 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.600 -9.869 -6.819 1.00 0.00 H new ATOM 1002 N GLU A 63 1.991 -6.298 -6.962 1.00 0.00 N ATOM 1003 CA GLU A 63 3.203 -5.878 -7.650 1.00 0.00 C ATOM 1004 C GLU A 63 4.436 -6.537 -7.032 1.00 0.00 C ATOM 1005 O GLU A 63 5.291 -7.064 -7.744 1.00 0.00 O ATOM 1006 CB GLU A 63 3.329 -4.352 -7.605 1.00 0.00 C ATOM 1007 CG GLU A 63 2.927 -3.673 -8.904 1.00 0.00 C ATOM 1008 CD GLU A 63 3.639 -2.350 -9.114 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.821 -2.244 -8.727 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.013 -1.420 -9.667 1.00 0.00 O ATOM 0 H GLU A 63 1.477 -5.538 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 63 3.138 -6.196 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.708 -3.968 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.360 -4.087 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.147 -4.337 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.850 -3.506 -8.904 1.00 0.00 H new ATOM 1017 N ILE A 64 4.517 -6.511 -5.704 1.00 0.00 N ATOM 1018 CA ILE A 64 5.638 -7.114 -4.993 1.00 0.00 C ATOM 1019 C ILE A 64 5.657 -8.629 -5.185 1.00 0.00 C ATOM 1020 O ILE A 64 6.703 -9.268 -5.061 1.00 0.00 O ATOM 1021 CB ILE A 64 5.582 -6.807 -3.484 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.352 -5.311 -3.252 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.861 -7.268 -2.800 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.384 -4.908 -1.792 1.00 0.00 C ATOM 0 H ILE A 64 3.819 -6.078 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 64 6.546 -6.680 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 64 4.746 -7.354 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.113 -4.748 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.388 -5.031 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.805 -7.044 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.981 -8.342 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.714 -6.748 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.214 -3.835 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.605 -5.443 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.357 -5.156 -1.367 1.00 0.00 H new ATOM 1036 N LYS A 65 4.494 -9.200 -5.483 1.00 0.00 N ATOM 1037 CA LYS A 65 4.381 -10.639 -5.687 1.00 0.00 C ATOM 1038 C LYS A 65 5.146 -11.074 -6.933 1.00 0.00 C ATOM 1039 O LYS A 65 5.671 -12.185 -6.996 1.00 0.00 O ATOM 1040 CB LYS A 65 2.909 -11.043 -5.806 1.00 0.00 C ATOM 1041 CG LYS A 65 2.432 -11.941 -4.677 1.00 0.00 C ATOM 1042 CD LYS A 65 2.421 -11.204 -3.347 1.00 0.00 C ATOM 1043 CE LYS A 65 1.579 -11.935 -2.314 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.124 -11.683 -2.503 1.00 0.00 N ATOM 0 H LYS A 65 3.618 -8.688 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 65 4.819 -11.140 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.294 -10.143 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.757 -11.556 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.430 -12.307 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.081 -12.814 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.442 -11.100 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.030 -10.197 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.773 -13.006 -2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.875 -11.618 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.415 -12.199 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.066 -10.664 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.165 -12.009 -3.447 1.00 0.00 H new ATOM 1058 N LYS A 66 5.204 -10.191 -7.925 1.00 0.00 N ATOM 1059 CA LYS A 66 5.904 -10.482 -9.170 1.00 0.00 C ATOM 1060 C LYS A 66 7.398 -10.662 -8.927 1.00 0.00 C ATOM 1061 O LYS A 66 7.956 -11.729 -9.187 1.00 0.00 O ATOM 1062 CB LYS A 66 5.673 -9.362 -10.184 1.00 0.00 C ATOM 1063 CG LYS A 66 4.377 -9.508 -10.969 1.00 0.00 C ATOM 1064 CD LYS A 66 4.627 -9.506 -12.469 1.00 0.00 C ATOM 1065 CE LYS A 66 4.338 -8.146 -13.081 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.472 -8.164 -14.564 1.00 0.00 N ATOM 0 H LYS A 66 4.774 -9.267 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 66 5.505 -11.414 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.665 -8.406 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.510 -9.337 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.881 -10.436 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.701 -8.693 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.663 -9.782 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.000 -10.260 -12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.329 -7.834 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.022 -7.407 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.267 -7.217 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.442 -8.437 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.801 -8.850 -14.965 1.00 0.00 H new ATOM 1080 N LEU A 67 8.042 -9.613 -8.427 1.00 0.00 N ATOM 1081 CA LEU A 67 9.470 -9.650 -8.148 1.00 0.00 C ATOM 1082 C LEU A 67 9.812 -10.783 -7.185 1.00 0.00 C ATOM 1083 O LEU A 67 8.875 -11.349 -6.583 1.00 0.00 O ATOM 1084 CB LEU A 67 9.918 -8.311 -7.561 1.00 0.00 C ATOM 1085 CG LEU A 67 9.010 -7.749 -6.463 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.686 -7.852 -5.104 1.00 0.00 C ATOM 1087 CD2 LEU A 67 8.636 -6.305 -6.764 1.00 0.00 C ATOM 1088 OXT LEU A 67 11.012 -11.094 -7.042 1.00 0.00 O ATOM 0 H LEU A 67 7.594 -8.724 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 67 9.998 -9.830 -9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.923 -8.427 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.982 -7.581 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 67 8.096 -8.343 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.025 -7.448 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.901 -8.897 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.617 -7.285 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.991 -5.924 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.540 -5.699 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.109 -6.257 -7.717 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.784 2.590 3.034 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.599 1.955 2.724 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.600 0.789 1.969 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.806 0.268 1.527 1.00 0.00 C HETATM 1105 C4 HTS A 101 8.994 0.899 1.836 1.00 0.00 C HETATM 1106 C5 HTS A 101 8.984 2.060 2.589 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.397 2.468 3.158 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.028 0.104 1.660 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.661 1.971 2.744 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.776 3.505 3.627 1.00 0.00 H new HETATM 0 H5 HTS A 101 9.922 2.558 2.832 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.939 0.483 1.487 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.816 -0.645 0.932 1.00 0.00 H new