USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 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+ -120:sc= 0.201 (180deg=-0.267) 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+ -150:sc= 0.0238 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 0.0408 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00142) 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 -5.674 -15.217 -6.059 1.00 0.00 N ATOM 2 CA GLY A 1 -5.849 -14.123 -6.998 1.00 0.00 C ATOM 3 C GLY A 1 -6.477 -12.908 -6.314 1.00 0.00 C ATOM 4 O GLY A 1 -5.922 -11.811 -6.354 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.246 -16.029 -6.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.051 -14.913 -5.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.599 -15.494 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.884 -13.847 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.481 -14.446 -7.825 1.00 0.00 H new ATOM 8 N SER A 2 -7.628 -13.144 -5.700 1.00 0.00 N ATOM 9 CA SER A 2 -8.337 -12.082 -5.007 1.00 0.00 C ATOM 10 C SER A 2 -7.501 -11.574 -3.831 1.00 0.00 C ATOM 11 O SER A 2 -7.595 -12.101 -2.724 1.00 0.00 O ATOM 12 CB SER A 2 -9.705 -12.562 -4.517 1.00 0.00 C ATOM 13 OG SER A 2 -10.618 -11.483 -4.341 1.00 0.00 O ATOM 0 H SER A 2 -8.086 -14.055 -5.668 1.00 0.00 H new ATOM 0 HA SER A 2 -8.498 -11.264 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.118 -13.273 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.586 -13.094 -3.573 1.00 0.00 H new ATOM 0 HG SER A 2 -11.480 -11.831 -4.029 1.00 0.00 H new ATOM 19 N ARG A 3 -6.702 -10.555 -4.111 1.00 0.00 N ATOM 20 CA ARG A 3 -5.849 -9.970 -3.090 1.00 0.00 C ATOM 21 C ARG A 3 -5.039 -8.812 -3.675 1.00 0.00 C ATOM 22 O ARG A 3 -5.303 -7.649 -3.373 1.00 0.00 O ATOM 23 CB ARG A 3 -4.891 -11.012 -2.509 1.00 0.00 C ATOM 24 CG ARG A 3 -5.388 -11.517 -1.153 1.00 0.00 C ATOM 25 CD ARG A 3 -5.302 -13.043 -1.071 1.00 0.00 C ATOM 26 NE ARG A 3 -3.886 -13.466 -1.001 1.00 0.00 N ATOM 27 CZ ARG A 3 -3.469 -14.727 -1.180 1.00 0.00 C ATOM 28 NH1 ARG A 3 -4.357 -15.696 -1.440 1.00 0.00 N ATOM 29 NH2 ARG A 3 -2.163 -15.019 -1.098 1.00 0.00 N ATOM 0 H ARG A 3 -6.627 -10.119 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.493 -9.601 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.796 -11.849 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.898 -10.576 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.793 -11.072 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.419 -11.198 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.841 -13.399 -0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.781 -13.490 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.183 -12.753 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.351 -15.474 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.039 -16.656 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.487 -14.281 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.845 -15.979 -1.234 1.00 0.00 H new ATOM 43 N VAL A 4 -4.067 -9.170 -4.503 1.00 0.00 N ATOM 44 CA VAL A 4 -3.216 -8.175 -5.133 1.00 0.00 C ATOM 45 C VAL A 4 -4.088 -7.157 -5.869 1.00 0.00 C ATOM 46 O VAL A 4 -3.957 -5.953 -5.656 1.00 0.00 O ATOM 47 CB VAL A 4 -2.198 -8.862 -6.046 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.233 -7.842 -6.654 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.438 -9.956 -5.295 1.00 0.00 C ATOM 0 H VAL A 4 -3.851 -10.135 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.644 -7.630 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.745 -9.335 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.520 -8.355 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.794 -7.115 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.697 -7.328 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.721 -10.428 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.908 -9.516 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.142 -10.705 -4.932 1.00 0.00 H new ATOM 59 N LYS A 5 -4.960 -7.677 -6.721 1.00 0.00 N ATOM 60 CA LYS A 5 -5.853 -6.828 -7.491 1.00 0.00 C ATOM 61 C LYS A 5 -6.653 -5.939 -6.535 1.00 0.00 C ATOM 62 O LYS A 5 -6.607 -4.714 -6.638 1.00 0.00 O ATOM 63 CB LYS A 5 -6.727 -7.672 -8.420 1.00 0.00 C ATOM 64 CG LYS A 5 -7.748 -6.801 -9.154 1.00 0.00 C ATOM 65 CD LYS A 5 -7.418 -6.708 -10.645 1.00 0.00 C ATOM 66 CE LYS A 5 -8.084 -7.842 -11.426 1.00 0.00 C ATOM 67 NZ LYS A 5 -7.371 -8.083 -12.700 1.00 0.00 N ATOM 0 H LYS A 5 -5.067 -8.676 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.282 -6.166 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.099 -8.191 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.245 -8.437 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.747 -7.218 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.760 -5.802 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.753 -5.747 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.338 -6.750 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.086 -8.752 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.125 -7.590 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.836 -8.856 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.391 -7.218 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.384 -8.344 -12.501 1.00 0.00 H new ATOM 81 N ALA A 6 -7.365 -6.591 -5.628 1.00 0.00 N ATOM 82 CA ALA A 6 -8.174 -5.874 -4.656 1.00 0.00 C ATOM 83 C ALA A 6 -7.298 -4.857 -3.922 1.00 0.00 C ATOM 84 O ALA A 6 -7.806 -3.900 -3.340 1.00 0.00 O ATOM 85 CB ALA A 6 -8.829 -6.874 -3.701 1.00 0.00 C ATOM 0 H ALA A 6 -7.399 -7.607 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.974 -5.324 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.436 -6.337 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.462 -7.557 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.056 -7.442 -3.182 1.00 0.00 H new ATOM 91 N LEU A 7 -5.996 -5.098 -3.974 1.00 0.00 N ATOM 92 CA LEU A 7 -5.045 -4.214 -3.321 1.00 0.00 C ATOM 93 C LEU A 7 -4.688 -3.067 -4.269 1.00 0.00 C ATOM 94 O LEU A 7 -4.814 -1.898 -3.910 1.00 0.00 O ATOM 95 CB LEU A 7 -3.831 -5.004 -2.828 1.00 0.00 C ATOM 96 CG LEU A 7 -3.686 -5.131 -1.309 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.687 -3.755 -0.642 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.765 -6.049 -0.731 1.00 0.00 C ATOM 0 H LEU A 7 -5.577 -5.892 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.489 -3.767 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.877 -6.006 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.931 -4.532 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.722 -5.592 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.583 -3.873 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.854 -3.165 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.625 -3.245 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.640 -6.122 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.750 -5.639 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.675 -7.040 -1.175 1.00 0.00 H new ATOM 110 N GLU A 8 -4.248 -3.443 -5.462 1.00 0.00 N ATOM 111 CA GLU A 8 -3.871 -2.460 -6.464 1.00 0.00 C ATOM 112 C GLU A 8 -4.791 -1.240 -6.384 1.00 0.00 C ATOM 113 O GLU A 8 -4.358 -0.115 -6.626 1.00 0.00 O ATOM 114 CB GLU A 8 -3.893 -3.071 -7.866 1.00 0.00 C ATOM 115 CG GLU A 8 -3.071 -2.231 -8.844 1.00 0.00 C ATOM 116 CD GLU A 8 -3.135 -2.812 -10.258 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.257 -2.835 -10.810 1.00 0.00 O ATOM 118 OE2 GLU A 8 -2.062 -3.220 -10.753 1.00 0.00 O ATOM 0 H GLU A 8 -4.144 -4.414 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.851 -2.135 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.496 -4.086 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.922 -3.143 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.444 -1.207 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.034 -2.190 -8.511 1.00 0.00 H new ATOM 125 N GLU A 9 -6.044 -1.506 -6.043 1.00 0.00 N ATOM 126 CA GLU A 9 -7.029 -0.444 -5.927 1.00 0.00 C ATOM 127 C GLU A 9 -6.540 0.629 -4.952 1.00 0.00 C ATOM 128 O GLU A 9 -6.501 1.811 -5.292 1.00 0.00 O ATOM 129 CB GLU A 9 -8.387 -1.000 -5.495 1.00 0.00 C ATOM 130 CG GLU A 9 -9.372 -1.012 -6.666 1.00 0.00 C ATOM 131 CD GLU A 9 -10.774 -0.608 -6.207 1.00 0.00 C ATOM 132 OE1 GLU A 9 -10.985 0.612 -6.035 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.604 -1.528 -6.040 1.00 0.00 O ATOM 0 H GLU A 9 -6.399 -2.441 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.157 0.015 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.264 -2.012 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.790 -0.395 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.028 -0.328 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.403 -2.007 -7.109 1.00 0.00 H new ATOM 140 N LYS A 10 -6.180 0.180 -3.759 1.00 0.00 N ATOM 141 CA LYS A 10 -5.696 1.086 -2.732 1.00 0.00 C ATOM 142 C LYS A 10 -4.353 1.674 -3.169 1.00 0.00 C ATOM 143 O LYS A 10 -4.212 2.890 -3.293 1.00 0.00 O ATOM 144 CB LYS A 10 -5.647 0.382 -1.376 1.00 0.00 C ATOM 145 CG LYS A 10 -5.867 1.377 -0.233 1.00 0.00 C ATOM 146 CD LYS A 10 -7.314 1.874 -0.210 1.00 0.00 C ATOM 147 CE LYS A 10 -7.986 1.542 1.124 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.279 2.252 1.243 1.00 0.00 N ATOM 0 H LYS A 10 -6.214 -0.801 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.384 1.922 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.410 -0.395 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.683 -0.111 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.626 0.903 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.190 2.223 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.335 2.951 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.873 1.417 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.146 0.467 1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.331 1.825 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.257 2.876 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.443 2.821 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.047 1.559 1.350 1.00 0.00 H new ATOM 162 N VAL A 11 -3.397 0.782 -3.391 1.00 0.00 N ATOM 163 CA VAL A 11 -2.069 1.197 -3.811 1.00 0.00 C ATOM 164 C VAL A 11 -2.194 2.240 -4.923 1.00 0.00 C ATOM 165 O VAL A 11 -1.827 3.399 -4.736 1.00 0.00 O ATOM 166 CB VAL A 11 -1.247 -0.025 -4.226 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.227 0.344 -4.410 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.405 -1.162 -3.215 1.00 0.00 C ATOM 0 H VAL A 11 -3.516 -0.226 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.535 1.666 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.628 -0.375 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.790 -0.542 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.317 1.106 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.625 0.731 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.810 -2.018 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.063 -0.828 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.454 -1.451 -3.154 1.00 0.00 H new ATOM 178 N LYS A 12 -2.713 1.791 -6.056 1.00 0.00 N ATOM 179 CA LYS A 12 -2.890 2.672 -7.198 1.00 0.00 C ATOM 180 C LYS A 12 -3.376 4.039 -6.713 1.00 0.00 C ATOM 181 O LYS A 12 -2.793 5.067 -7.056 1.00 0.00 O ATOM 182 CB LYS A 12 -3.810 2.025 -8.236 1.00 0.00 C ATOM 183 CG LYS A 12 -4.121 2.998 -9.375 1.00 0.00 C ATOM 184 CD LYS A 12 -3.423 2.571 -10.667 1.00 0.00 C ATOM 185 CE LYS A 12 -4.441 2.159 -11.731 1.00 0.00 C ATOM 186 NZ LYS A 12 -3.770 1.923 -13.029 1.00 0.00 N ATOM 0 H LYS A 12 -3.017 0.829 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.939 2.834 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.337 1.129 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.738 1.710 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.198 3.042 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.799 4.002 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.812 3.392 -11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.749 1.739 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.961 1.255 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.195 2.938 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.477 1.644 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.294 2.795 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.067 1.164 -12.923 1.00 0.00 H new ATOM 200 N ALA A 13 -4.438 4.007 -5.921 1.00 0.00 N ATOM 201 CA ALA A 13 -5.009 5.231 -5.385 1.00 0.00 C ATOM 202 C ALA A 13 -3.956 5.951 -4.540 1.00 0.00 C ATOM 203 O ALA A 13 -3.787 7.164 -4.654 1.00 0.00 O ATOM 204 CB ALA A 13 -6.270 4.898 -4.586 1.00 0.00 C ATOM 0 H ALA A 13 -4.918 3.153 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.302 5.904 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.699 5.816 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.997 4.414 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.014 4.227 -3.766 1.00 0.00 H new ATOM 210 N LEU A 14 -3.277 5.174 -3.709 1.00 0.00 N ATOM 211 CA LEU A 14 -2.246 5.723 -2.845 1.00 0.00 C ATOM 212 C LEU A 14 -1.208 6.455 -3.698 1.00 0.00 C ATOM 213 O LEU A 14 -0.650 7.465 -3.271 1.00 0.00 O ATOM 214 CB LEU A 14 -1.650 4.627 -1.959 1.00 0.00 C ATOM 215 CG LEU A 14 -2.562 4.086 -0.855 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.744 3.467 0.279 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.514 5.172 -0.350 1.00 0.00 C ATOM 0 H LEU A 14 -3.421 4.168 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.673 6.457 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.351 3.795 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.743 5.015 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.176 3.291 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.417 3.091 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.144 2.645 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.087 4.223 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.151 4.762 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.936 6.005 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.134 5.524 -1.174 1.00 0.00 H new ATOM 229 N GLU A 15 -0.982 5.919 -4.887 1.00 0.00 N ATOM 230 CA GLU A 15 -0.021 6.510 -5.804 1.00 0.00 C ATOM 231 C GLU A 15 -0.397 7.961 -6.104 1.00 0.00 C ATOM 232 O GLU A 15 0.335 8.883 -5.746 1.00 0.00 O ATOM 233 CB GLU A 15 0.081 5.692 -7.093 1.00 0.00 C ATOM 234 CG GLU A 15 1.425 5.924 -7.785 1.00 0.00 C ATOM 235 CD GLU A 15 2.031 4.603 -8.264 1.00 0.00 C ATOM 236 OE1 GLU A 15 1.235 3.680 -8.537 1.00 0.00 O ATOM 237 OE2 GLU A 15 3.278 4.548 -8.347 1.00 0.00 O ATOM 0 H GLU A 15 -1.447 5.082 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 15 0.960 6.501 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.037 4.632 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.731 5.966 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.290 6.595 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.113 6.415 -7.096 1.00 0.00 H new ATOM 244 N GLU A 16 -1.539 8.120 -6.759 1.00 0.00 N ATOM 245 CA GLU A 16 -2.020 9.445 -7.112 1.00 0.00 C ATOM 246 C GLU A 16 -2.138 10.317 -5.860 1.00 0.00 C ATOM 247 O GLU A 16 -1.782 11.495 -5.884 1.00 0.00 O ATOM 248 CB GLU A 16 -3.358 9.363 -7.851 1.00 0.00 C ATOM 249 CG GLU A 16 -3.506 10.516 -8.845 1.00 0.00 C ATOM 250 CD GLU A 16 -2.792 10.201 -10.161 1.00 0.00 C ATOM 251 OE1 GLU A 16 -3.440 9.568 -11.021 1.00 0.00 O ATOM 252 OE2 GLU A 16 -1.613 10.600 -10.276 1.00 0.00 O ATOM 0 H GLU A 16 -2.144 7.354 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.298 9.906 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.429 8.412 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.177 9.390 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.563 10.703 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.094 11.428 -8.413 1.00 0.00 H new ATOM 259 N LYS A 17 -2.639 9.706 -4.797 1.00 0.00 N ATOM 260 CA LYS A 17 -2.808 10.414 -3.538 1.00 0.00 C ATOM 261 C LYS A 17 -1.436 10.828 -3.002 1.00 0.00 C ATOM 262 O LYS A 17 -1.118 12.015 -2.954 1.00 0.00 O ATOM 263 CB LYS A 17 -3.622 9.570 -2.555 1.00 0.00 C ATOM 264 CG LYS A 17 -4.861 10.330 -2.075 1.00 0.00 C ATOM 265 CD LYS A 17 -6.076 10.004 -2.946 1.00 0.00 C ATOM 266 CE LYS A 17 -7.169 9.317 -2.126 1.00 0.00 C ATOM 267 NZ LYS A 17 -8.322 8.970 -2.987 1.00 0.00 N ATOM 0 H LYS A 17 -2.933 8.730 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.381 11.329 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.925 8.639 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.002 9.302 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.072 10.070 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.667 11.402 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.469 10.920 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.774 9.358 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.770 8.415 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.494 9.974 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.055 8.504 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.712 9.836 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.010 8.325 -3.741 1.00 0.00 H new ATOM 281 N VAL A 18 -0.660 9.825 -2.615 1.00 0.00 N ATOM 282 CA VAL A 18 0.671 10.072 -2.085 1.00 0.00 C ATOM 283 C VAL A 18 1.382 11.103 -2.964 1.00 0.00 C ATOM 284 O VAL A 18 2.097 11.966 -2.458 1.00 0.00 O ATOM 285 CB VAL A 18 1.438 8.754 -1.968 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.925 9.007 -1.709 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.836 7.863 -0.880 1.00 0.00 C ATOM 0 H VAL A 18 -0.927 8.842 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 18 0.612 10.489 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 18 1.347 8.228 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.448 8.054 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.345 9.584 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.043 9.564 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.400 6.933 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.881 8.379 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.203 7.642 -1.125 1.00 0.00 H new ATOM 297 N LYS A 19 1.162 10.978 -4.264 1.00 0.00 N ATOM 298 CA LYS A 19 1.773 11.887 -5.217 1.00 0.00 C ATOM 299 C LYS A 19 1.087 13.252 -5.126 1.00 0.00 C ATOM 300 O LYS A 19 1.747 14.288 -5.186 1.00 0.00 O ATOM 301 CB LYS A 19 1.755 11.283 -6.623 1.00 0.00 C ATOM 302 CG LYS A 19 2.630 12.094 -7.581 1.00 0.00 C ATOM 303 CD LYS A 19 4.021 11.471 -7.711 1.00 0.00 C ATOM 304 CE LYS A 19 5.097 12.552 -7.831 1.00 0.00 C ATOM 305 NZ LYS A 19 5.117 13.115 -9.199 1.00 0.00 N ATOM 0 H LYS A 19 0.568 10.260 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 19 2.825 12.041 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.110 10.253 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.731 11.254 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.156 12.141 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.718 13.119 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.225 10.844 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.053 10.823 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.906 13.345 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.073 12.130 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.853 13.847 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.321 12.358 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.191 13.536 -9.415 1.00 0.00 H new ATOM 319 N ALA A 20 -0.229 13.209 -4.982 1.00 0.00 N ATOM 320 CA ALA A 20 -1.011 14.429 -4.881 1.00 0.00 C ATOM 321 C ALA A 20 -0.486 15.272 -3.718 1.00 0.00 C ATOM 322 O ALA A 20 -0.262 16.472 -3.866 1.00 0.00 O ATOM 323 CB ALA A 20 -2.492 14.075 -4.723 1.00 0.00 C ATOM 0 H ALA A 20 -0.774 12.348 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.913 15.024 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.079 14.990 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.824 13.502 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.630 13.480 -3.820 1.00 0.00 H new ATOM 329 N LEU A 21 -0.304 14.610 -2.584 1.00 0.00 N ATOM 330 CA LEU A 21 0.190 15.284 -1.395 1.00 0.00 C ATOM 331 C LEU A 21 1.276 16.285 -1.796 1.00 0.00 C ATOM 332 O LEU A 21 2.128 15.981 -2.630 1.00 0.00 O ATOM 333 CB LEU A 21 0.650 14.262 -0.353 1.00 0.00 C ATOM 334 CG LEU A 21 -0.184 12.983 -0.254 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.202 12.171 0.984 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.680 13.300 -0.288 1.00 0.00 C ATOM 0 H LEU A 21 -0.490 13.614 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.609 15.853 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.680 13.984 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.655 14.746 0.624 1.00 0.00 H new ATOM 0 HG LEU A 21 0.034 12.365 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.406 11.267 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.255 11.897 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.032 12.769 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.250 12.374 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.934 13.948 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.924 13.804 -1.223 1.00 0.00 H new ATOM 348 N GLY A 22 1.211 17.456 -1.182 1.00 0.00 N ATOM 349 CA GLY A 22 2.178 18.503 -1.465 1.00 0.00 C ATOM 350 C GLY A 22 3.609 17.985 -1.308 1.00 0.00 C ATOM 351 O GLY A 22 4.543 18.546 -1.880 1.00 0.00 O ATOM 0 H GLY A 22 0.504 17.704 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.031 18.874 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.016 19.344 -0.791 1.00 0.00 H new ATOM 355 N GLY A 23 3.737 16.919 -0.530 1.00 0.00 N ATOM 356 CA GLY A 23 5.038 16.319 -0.291 1.00 0.00 C ATOM 357 C GLY A 23 6.076 17.384 0.066 1.00 0.00 C ATOM 358 O GLY A 23 5.731 18.545 0.282 1.00 0.00 O ATOM 0 H GLY A 23 2.961 16.456 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.964 15.593 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.360 15.775 -1.179 1.00 0.00 H new ATOM 362 N GLY A 24 7.328 16.952 0.117 1.00 0.00 N ATOM 363 CA GLY A 24 8.418 17.854 0.445 1.00 0.00 C ATOM 364 C GLY A 24 8.836 17.701 1.908 1.00 0.00 C ATOM 365 O GLY A 24 9.216 18.676 2.555 1.00 0.00 O ATOM 0 H GLY A 24 7.611 15.989 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.270 17.651 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.112 18.883 0.256 1.00 0.00 H new ATOM 369 N GLY A 25 8.754 16.468 2.388 1.00 0.00 N ATOM 370 CA GLY A 25 9.119 16.175 3.763 1.00 0.00 C ATOM 371 C GLY A 25 7.936 15.576 4.528 1.00 0.00 C ATOM 372 O GLY A 25 7.592 16.046 5.612 1.00 0.00 O ATOM 0 H GLY A 25 8.440 15.661 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.958 15.479 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.452 17.088 4.257 1.00 0.00 H new ATOM 376 N ARG A 26 7.347 14.549 3.935 1.00 0.00 N ATOM 377 CA ARG A 26 6.210 13.882 4.548 1.00 0.00 C ATOM 378 C ARG A 26 5.974 12.522 3.888 1.00 0.00 C ATOM 379 O ARG A 26 6.348 11.488 4.439 1.00 0.00 O ATOM 380 CB ARG A 26 4.942 14.729 4.422 1.00 0.00 C ATOM 381 CG ARG A 26 4.599 15.402 5.753 1.00 0.00 C ATOM 382 CD ARG A 26 4.338 16.897 5.560 1.00 0.00 C ATOM 383 NE ARG A 26 2.978 17.107 5.015 1.00 0.00 N ATOM 384 CZ ARG A 26 2.509 18.293 4.604 1.00 0.00 C ATOM 385 NH1 ARG A 26 3.286 19.382 4.673 1.00 0.00 N ATOM 386 NH2 ARG A 26 1.261 18.390 4.123 1.00 0.00 N ATOM 0 H ARG A 26 7.635 14.162 3.036 1.00 0.00 H new ATOM 0 HA ARG A 26 6.437 13.742 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.082 15.488 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.111 14.101 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.719 14.929 6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.418 15.260 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.442 17.419 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.080 17.320 4.882 1.00 0.00 H new ATOM 0 HE ARG A 26 2.359 16.299 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.235 19.309 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.928 20.284 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.669 17.561 4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.904 19.293 3.810 1.00 0.00 H new ATOM 400 N ILE A 27 5.356 12.568 2.717 1.00 0.00 N ATOM 401 CA ILE A 27 5.065 11.352 1.976 1.00 0.00 C ATOM 402 C ILE A 27 6.320 10.476 1.929 1.00 0.00 C ATOM 403 O ILE A 27 6.225 9.251 1.902 1.00 0.00 O ATOM 404 CB ILE A 27 4.496 11.688 0.596 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.402 12.673 -0.144 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.060 12.200 0.705 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.618 13.450 -1.204 1.00 0.00 C ATOM 0 H ILE A 27 5.049 13.428 2.263 1.00 0.00 H new ATOM 0 HA ILE A 27 4.291 10.774 2.481 1.00 0.00 H new ATOM 0 HB ILE A 27 4.466 10.772 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.846 13.369 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.223 12.133 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.680 12.431 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.434 11.434 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.040 13.100 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.286 14.143 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.195 12.753 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.813 14.008 -0.725 1.00 0.00 H new ATOM 419 N GLU A 28 7.466 11.142 1.919 1.00 0.00 N ATOM 420 CA GLU A 28 8.737 10.440 1.874 1.00 0.00 C ATOM 421 C GLU A 28 8.667 9.161 2.711 1.00 0.00 C ATOM 422 O GLU A 28 8.847 8.063 2.188 1.00 0.00 O ATOM 423 CB GLU A 28 9.879 11.343 2.348 1.00 0.00 C ATOM 424 CG GLU A 28 11.219 10.609 2.286 1.00 0.00 C ATOM 425 CD GLU A 28 12.348 11.563 1.892 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.907 12.195 2.815 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.628 11.641 0.675 1.00 0.00 O ATOM 0 H GLU A 28 7.540 12.159 1.941 1.00 0.00 H new ATOM 0 HA GLU A 28 8.941 10.164 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.921 12.238 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.687 11.672 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.438 10.161 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.158 9.794 1.565 1.00 0.00 H new ATOM 434 N GLU A 29 8.405 9.346 3.996 1.00 0.00 N ATOM 435 CA GLU A 29 8.309 8.220 4.910 1.00 0.00 C ATOM 436 C GLU A 29 7.364 7.158 4.346 1.00 0.00 C ATOM 437 O GLU A 29 7.809 6.104 3.891 1.00 0.00 O ATOM 438 CB GLU A 29 7.853 8.678 6.297 1.00 0.00 C ATOM 439 CG GLU A 29 8.231 7.649 7.366 1.00 0.00 C ATOM 440 CD GLU A 29 6.982 7.020 7.988 1.00 0.00 C ATOM 441 OE1 GLU A 29 6.524 5.998 7.432 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.514 7.576 9.004 1.00 0.00 O ATOM 0 H GLU A 29 8.256 10.259 4.426 1.00 0.00 H new ATOM 0 HA GLU A 29 9.299 7.778 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.309 9.639 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.773 8.829 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.852 6.871 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.826 8.128 8.143 1.00 0.00 H new ATOM 449 N LEU A 30 6.077 7.470 4.393 1.00 0.00 N ATOM 450 CA LEU A 30 5.066 6.554 3.892 1.00 0.00 C ATOM 451 C LEU A 30 5.507 6.008 2.534 1.00 0.00 C ATOM 452 O LEU A 30 5.345 4.821 2.255 1.00 0.00 O ATOM 453 CB LEU A 30 3.695 7.233 3.868 1.00 0.00 C ATOM 454 CG LEU A 30 3.452 8.213 2.717 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.378 7.478 1.377 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.206 9.063 2.975 1.00 0.00 C ATOM 0 H LEU A 30 5.711 8.344 4.770 1.00 0.00 H new ATOM 0 HA LEU A 30 4.961 5.699 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.929 6.459 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.559 7.767 4.808 1.00 0.00 H new ATOM 0 HG LEU A 30 4.301 8.894 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.205 8.197 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.317 6.954 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.560 6.758 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.056 9.751 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.336 8.414 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.337 9.631 3.896 1.00 0.00 H new ATOM 468 N LYS A 31 6.054 6.902 1.722 1.00 0.00 N ATOM 469 CA LYS A 31 6.520 6.524 0.398 1.00 0.00 C ATOM 470 C LYS A 31 7.540 5.391 0.524 1.00 0.00 C ATOM 471 O LYS A 31 7.579 4.490 -0.312 1.00 0.00 O ATOM 472 CB LYS A 31 7.050 7.747 -0.352 1.00 0.00 C ATOM 473 CG LYS A 31 5.936 8.424 -1.153 1.00 0.00 C ATOM 474 CD LYS A 31 6.375 8.680 -2.596 1.00 0.00 C ATOM 475 CE LYS A 31 6.385 7.382 -3.405 1.00 0.00 C ATOM 476 NZ LYS A 31 5.338 7.414 -4.451 1.00 0.00 N ATOM 0 H LYS A 31 6.185 7.886 1.955 1.00 0.00 H new ATOM 0 HA LYS A 31 5.693 6.143 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.476 8.457 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.854 7.446 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.045 7.796 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.664 9.367 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.701 9.398 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.370 9.125 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.363 7.241 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.219 6.532 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.003 6.447 -4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.542 8.000 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.732 7.818 -5.325 1.00 0.00 H new ATOM 490 N LYS A 32 8.340 5.473 1.577 1.00 0.00 N ATOM 491 CA LYS A 32 9.358 4.465 1.824 1.00 0.00 C ATOM 492 C LYS A 32 8.684 3.111 2.052 1.00 0.00 C ATOM 493 O LYS A 32 9.112 2.099 1.500 1.00 0.00 O ATOM 494 CB LYS A 32 10.273 4.898 2.972 1.00 0.00 C ATOM 495 CG LYS A 32 10.755 6.337 2.776 1.00 0.00 C ATOM 496 CD LYS A 32 12.269 6.439 2.970 1.00 0.00 C ATOM 497 CE LYS A 32 12.995 6.445 1.623 1.00 0.00 C ATOM 498 NZ LYS A 32 13.611 5.124 1.360 1.00 0.00 N ATOM 0 H LYS A 32 8.304 6.222 2.269 1.00 0.00 H new ATOM 0 HA LYS A 32 10.006 4.356 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.739 4.815 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.131 4.228 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.489 6.681 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.249 6.993 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.508 7.349 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.619 5.601 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.293 6.691 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.763 7.218 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.100 5.145 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.296 4.904 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.871 4.393 1.341 1.00 0.00 H new ATOM 512 N LYS A 33 7.640 3.136 2.867 1.00 0.00 N ATOM 513 CA LYS A 33 6.902 1.922 3.175 1.00 0.00 C ATOM 514 C LYS A 33 6.059 1.521 1.963 1.00 0.00 C ATOM 515 O LYS A 33 5.911 0.336 1.670 1.00 0.00 O ATOM 516 CB LYS A 33 6.087 2.102 4.458 1.00 0.00 C ATOM 517 CG LYS A 33 7.002 2.363 5.657 1.00 0.00 C ATOM 518 CD LYS A 33 6.700 1.391 6.799 1.00 0.00 C ATOM 519 CE LYS A 33 7.922 1.209 7.701 1.00 0.00 C ATOM 520 NZ LYS A 33 7.531 0.583 8.984 1.00 0.00 N ATOM 0 H LYS A 33 7.287 3.977 3.324 1.00 0.00 H new ATOM 0 HA LYS A 33 7.588 1.099 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.392 2.934 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.488 1.210 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.044 2.260 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.871 3.388 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.862 1.764 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.398 0.427 6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.663 0.588 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.390 2.175 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.372 0.467 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.840 1.190 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.105 -0.348 8.801 1.00 0.00 H new ATOM 534 N TRP A 34 5.529 2.533 1.290 1.00 0.00 N ATOM 535 CA TRP A 34 4.705 2.300 0.116 1.00 0.00 C ATOM 536 C TRP A 34 5.547 1.539 -0.909 1.00 0.00 C ATOM 537 O TRP A 34 5.008 0.832 -1.759 1.00 0.00 O ATOM 538 CB TRP A 34 4.143 3.615 -0.428 1.00 0.00 C ATOM 539 CG TRP A 34 4.188 3.727 -1.953 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.235 4.052 -2.726 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.093 3.498 -2.865 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.894 4.050 -4.064 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.551 3.703 -4.151 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.760 3.132 -2.611 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.741 3.564 -5.284 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.963 2.997 -3.755 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.409 3.199 -5.056 1.00 0.00 C ATOM 0 H TRP A 34 5.654 3.515 1.535 1.00 0.00 H new ATOM 0 HA TRP A 34 3.835 1.694 0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.110 3.722 -0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.704 4.444 0.004 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.220 4.286 -2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.514 4.264 -4.845 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.380 2.968 -1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.123 3.729 -6.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.071 2.716 -3.617 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.731 3.075 -5.887 1.00 0.00 H new ATOM 558 N GLU A 35 6.856 1.710 -0.797 1.00 0.00 N ATOM 559 CA GLU A 35 7.778 1.048 -1.704 1.00 0.00 C ATOM 560 C GLU A 35 7.970 -0.412 -1.293 1.00 0.00 C ATOM 561 O GLU A 35 8.134 -1.285 -2.145 1.00 0.00 O ATOM 562 CB GLU A 35 9.119 1.784 -1.756 1.00 0.00 C ATOM 563 CG GLU A 35 9.383 2.344 -3.155 1.00 0.00 C ATOM 564 CD GLU A 35 10.885 2.450 -3.428 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.554 3.164 -2.650 1.00 0.00 O ATOM 566 OE2 GLU A 35 11.330 1.815 -4.408 1.00 0.00 O ATOM 0 H GLU A 35 7.300 2.298 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 35 7.350 1.070 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.121 2.596 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.923 1.103 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.918 1.700 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.922 3.327 -3.250 1.00 0.00 H new ATOM 573 N GLU A 36 7.943 -0.635 0.013 1.00 0.00 N ATOM 574 CA GLU A 36 8.112 -1.976 0.547 1.00 0.00 C ATOM 575 C GLU A 36 6.771 -2.713 0.565 1.00 0.00 C ATOM 576 O GLU A 36 6.724 -3.928 0.380 1.00 0.00 O ATOM 577 CB GLU A 36 8.733 -1.935 1.945 1.00 0.00 C ATOM 578 CG GLU A 36 9.643 -0.716 2.105 1.00 0.00 C ATOM 579 CD GLU A 36 10.896 -1.069 2.909 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.881 -1.495 2.269 1.00 0.00 O ATOM 581 OE2 GLU A 36 10.839 -0.905 4.148 1.00 0.00 O ATOM 0 H GLU A 36 7.807 0.090 0.717 1.00 0.00 H new ATOM 0 HA GLU A 36 8.796 -2.521 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.944 -1.905 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.305 -2.846 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.931 -0.341 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.099 0.085 2.605 1.00 0.00 H new ATOM 588 N LEU A 37 5.713 -1.947 0.787 1.00 0.00 N ATOM 589 CA LEU A 37 4.376 -2.512 0.831 1.00 0.00 C ATOM 590 C LEU A 37 3.989 -3.005 -0.565 1.00 0.00 C ATOM 591 O LEU A 37 3.714 -4.188 -0.756 1.00 0.00 O ATOM 592 CB LEU A 37 3.387 -1.505 1.423 1.00 0.00 C ATOM 593 CG LEU A 37 2.197 -1.133 0.536 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.484 -2.386 0.021 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.241 -0.191 1.269 1.00 0.00 C ATOM 0 H LEU A 37 5.755 -0.939 0.938 1.00 0.00 H new ATOM 0 HA LEU A 37 4.350 -3.377 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.004 -1.910 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.931 -0.593 1.669 1.00 0.00 H new ATOM 0 HG LEU A 37 2.574 -0.596 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.642 -2.094 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.181 -2.987 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.121 -2.971 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.404 0.058 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.867 -0.680 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.770 0.721 1.545 1.00 0.00 H new ATOM 607 N LYS A 38 3.981 -2.072 -1.506 1.00 0.00 N ATOM 608 CA LYS A 38 3.633 -2.397 -2.878 1.00 0.00 C ATOM 609 C LYS A 38 4.454 -3.604 -3.337 1.00 0.00 C ATOM 610 O LYS A 38 3.988 -4.405 -4.145 1.00 0.00 O ATOM 611 CB LYS A 38 3.792 -1.168 -3.777 1.00 0.00 C ATOM 612 CG LYS A 38 3.590 -1.535 -5.248 1.00 0.00 C ATOM 613 CD LYS A 38 4.662 -0.887 -6.128 1.00 0.00 C ATOM 614 CE LYS A 38 4.424 0.618 -6.263 1.00 0.00 C ATOM 615 NZ LYS A 38 3.518 0.899 -7.400 1.00 0.00 N ATOM 0 H LYS A 38 4.210 -1.091 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 38 2.583 -2.681 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.070 -0.405 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.784 -0.738 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.625 -2.618 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.602 -1.211 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.648 -1.066 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.656 -1.350 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.992 1.008 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.374 1.131 -6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.984 1.771 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.077 1.017 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.855 0.107 -7.520 1.00 0.00 H new ATOM 629 N LYS A 39 5.661 -3.696 -2.800 1.00 0.00 N ATOM 630 CA LYS A 39 6.551 -4.792 -3.143 1.00 0.00 C ATOM 631 C LYS A 39 6.006 -6.092 -2.549 1.00 0.00 C ATOM 632 O LYS A 39 6.227 -7.170 -3.097 1.00 0.00 O ATOM 633 CB LYS A 39 7.984 -4.474 -2.713 1.00 0.00 C ATOM 634 CG LYS A 39 8.934 -5.618 -3.076 1.00 0.00 C ATOM 635 CD LYS A 39 10.329 -5.088 -3.414 1.00 0.00 C ATOM 636 CE LYS A 39 11.168 -6.159 -4.112 1.00 0.00 C ATOM 637 NZ LYS A 39 12.293 -5.539 -4.845 1.00 0.00 N ATOM 0 H LYS A 39 6.044 -3.029 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 39 6.589 -4.926 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.316 -3.554 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.014 -4.299 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.999 -6.319 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.535 -6.170 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.243 -4.212 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.830 -4.766 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.551 -6.866 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.544 -6.725 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.853 -6.280 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.921 -4.882 -5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.897 -5.018 -4.178 1.00 0.00 H new ATOM 651 N LYS A 40 5.302 -5.947 -1.436 1.00 0.00 N ATOM 652 CA LYS A 40 4.723 -7.096 -0.761 1.00 0.00 C ATOM 653 C LYS A 40 3.503 -7.580 -1.545 1.00 0.00 C ATOM 654 O LYS A 40 3.331 -8.781 -1.752 1.00 0.00 O ATOM 655 CB LYS A 40 4.421 -6.762 0.702 1.00 0.00 C ATOM 656 CG LYS A 40 5.166 -7.708 1.646 1.00 0.00 C ATOM 657 CD LYS A 40 6.603 -7.233 1.875 1.00 0.00 C ATOM 658 CE LYS A 40 7.245 -7.976 3.048 1.00 0.00 C ATOM 659 NZ LYS A 40 8.669 -8.264 2.762 1.00 0.00 N ATOM 0 H LYS A 40 5.119 -5.051 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 40 5.434 -7.921 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.710 -5.732 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.348 -6.834 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.641 -7.764 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.174 -8.714 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.191 -7.394 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.609 -6.161 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.164 -7.376 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.710 -8.907 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.090 -8.769 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.739 -8.855 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.180 -7.371 2.608 1.00 0.00 H new ATOM 673 N ILE A 41 2.687 -6.623 -1.960 1.00 0.00 N ATOM 674 CA ILE A 41 1.487 -6.937 -2.718 1.00 0.00 C ATOM 675 C ILE A 41 1.878 -7.678 -3.999 1.00 0.00 C ATOM 676 O ILE A 41 1.035 -8.304 -4.640 1.00 0.00 O ATOM 677 CB ILE A 41 0.663 -5.673 -2.966 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.570 -4.821 -1.697 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.719 -6.019 -3.525 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.592 -3.831 -1.785 1.00 0.00 C ATOM 0 H ILE A 41 2.833 -5.629 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 41 0.840 -7.604 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 41 1.175 -5.075 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.437 -5.468 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.504 -4.279 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.284 -5.102 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.607 -6.553 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.252 -6.649 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.635 -3.239 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.443 -3.170 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.527 -4.377 -1.908 1.00 0.00 H new ATOM 692 N GLU A 42 3.156 -7.580 -4.334 1.00 0.00 N ATOM 693 CA GLU A 42 3.669 -8.232 -5.528 1.00 0.00 C ATOM 694 C GLU A 42 3.914 -9.718 -5.256 1.00 0.00 C ATOM 695 O GLU A 42 3.393 -10.577 -5.966 1.00 0.00 O ATOM 696 CB GLU A 42 4.944 -7.546 -6.022 1.00 0.00 C ATOM 697 CG GLU A 42 4.665 -6.707 -7.271 1.00 0.00 C ATOM 698 CD GLU A 42 5.089 -7.451 -8.538 1.00 0.00 C ATOM 699 OE1 GLU A 42 4.597 -8.585 -8.722 1.00 0.00 O ATOM 700 OE2 GLU A 42 5.897 -6.869 -9.294 1.00 0.00 O ATOM 0 H GLU A 42 3.852 -7.059 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 42 2.922 -8.146 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.348 -6.910 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.702 -8.297 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.603 -6.469 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.201 -5.760 -7.205 1.00 0.00 H new ATOM 707 N GLU A 43 4.709 -9.975 -4.228 1.00 0.00 N ATOM 708 CA GLU A 43 5.031 -11.342 -3.855 1.00 0.00 C ATOM 709 C GLU A 43 3.802 -12.032 -3.258 1.00 0.00 C ATOM 710 O GLU A 43 3.813 -13.241 -3.032 1.00 0.00 O ATOM 711 CB GLU A 43 6.209 -11.380 -2.879 1.00 0.00 C ATOM 712 CG GLU A 43 7.256 -12.403 -3.325 1.00 0.00 C ATOM 713 CD GLU A 43 6.941 -13.792 -2.763 1.00 0.00 C ATOM 714 OE1 GLU A 43 6.256 -13.838 -1.718 1.00 0.00 O ATOM 715 OE2 GLU A 43 7.392 -14.774 -3.391 1.00 0.00 O ATOM 0 H GLU A 43 5.140 -9.260 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 43 5.328 -11.884 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.665 -10.392 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.851 -11.632 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.287 -12.446 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.244 -12.087 -2.990 1.00 0.00 H new ATOM 722 N LEU A 44 2.772 -11.234 -3.019 1.00 0.00 N ATOM 723 CA LEU A 44 1.538 -11.752 -2.453 1.00 0.00 C ATOM 724 C LEU A 44 1.196 -13.085 -3.123 1.00 0.00 C ATOM 725 O LEU A 44 0.652 -13.107 -4.226 1.00 0.00 O ATOM 726 CB LEU A 44 0.423 -10.709 -2.553 1.00 0.00 C ATOM 727 CG LEU A 44 0.167 -9.879 -1.293 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.992 -8.903 -1.506 1.00 0.00 C ATOM 729 CD2 LEU A 44 -0.059 -10.781 -0.078 1.00 0.00 C ATOM 0 H LEU A 44 2.767 -10.232 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 44 1.661 -11.951 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.661 -10.028 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.502 -11.219 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 44 1.057 -9.283 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.153 -8.325 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.752 -8.227 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.897 -9.460 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.239 -10.166 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.923 -11.421 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.823 -11.400 0.085 1.00 0.00 H new ATOM 741 N GLY A 45 1.528 -14.162 -2.428 1.00 0.00 N ATOM 742 CA GLY A 45 1.263 -15.495 -2.941 1.00 0.00 C ATOM 743 C GLY A 45 1.846 -16.566 -2.016 1.00 0.00 C ATOM 744 O GLY A 45 2.932 -16.390 -1.466 1.00 0.00 O ATOM 0 H GLY A 45 1.979 -14.139 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.188 -15.643 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.693 -15.597 -3.937 1.00 0.00 H new ATOM 748 N GLY A 46 1.099 -17.650 -1.874 1.00 0.00 N ATOM 749 CA GLY A 46 1.528 -18.749 -1.025 1.00 0.00 C ATOM 750 C GLY A 46 1.514 -18.341 0.448 1.00 0.00 C ATOM 751 O GLY A 46 0.694 -18.831 1.225 1.00 0.00 O ATOM 0 H GLY A 46 0.199 -17.791 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.872 -19.606 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.532 -19.063 -1.310 1.00 0.00 H new ATOM 755 N GLY A 47 2.431 -17.447 0.791 1.00 0.00 N ATOM 756 CA GLY A 47 2.533 -16.968 2.159 1.00 0.00 C ATOM 757 C GLY A 47 1.154 -16.624 2.725 1.00 0.00 C ATOM 758 O GLY A 47 0.845 -16.963 3.865 1.00 0.00 O ATOM 0 H GLY A 47 3.109 -17.042 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.005 -17.729 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.174 -16.087 2.192 1.00 0.00 H new ATOM 762 N GLY A 48 0.362 -15.954 1.900 1.00 0.00 N ATOM 763 CA GLY A 48 -0.977 -15.560 2.303 1.00 0.00 C ATOM 764 C GLY A 48 -0.935 -14.668 3.546 1.00 0.00 C ATOM 765 O GLY A 48 -1.882 -14.646 4.331 1.00 0.00 O ATOM 0 H GLY A 48 0.622 -15.674 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.465 -15.029 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.575 -16.448 2.508 1.00 0.00 H new ATOM 769 N GLU A 49 0.172 -13.953 3.685 1.00 0.00 N ATOM 770 CA GLU A 49 0.350 -13.062 4.818 1.00 0.00 C ATOM 771 C GLU A 49 -0.076 -11.640 4.447 1.00 0.00 C ATOM 772 O GLU A 49 0.550 -10.670 4.870 1.00 0.00 O ATOM 773 CB GLU A 49 1.797 -13.089 5.315 1.00 0.00 C ATOM 774 CG GLU A 49 1.981 -14.139 6.411 1.00 0.00 C ATOM 775 CD GLU A 49 2.954 -13.647 7.486 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.816 -12.468 7.878 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.812 -14.461 7.889 1.00 0.00 O ATOM 0 H GLU A 49 0.955 -13.973 3.031 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.286 -13.410 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.467 -13.306 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.072 -12.106 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.017 -14.368 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.355 -15.065 5.973 1.00 0.00 H new ATOM 784 N VAL A 50 -1.138 -11.562 3.659 1.00 0.00 N ATOM 785 CA VAL A 50 -1.655 -10.275 3.225 1.00 0.00 C ATOM 786 C VAL A 50 -1.886 -9.385 4.448 1.00 0.00 C ATOM 787 O VAL A 50 -1.697 -8.171 4.381 1.00 0.00 O ATOM 788 CB VAL A 50 -2.919 -10.475 2.386 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.363 -9.160 1.743 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.708 -11.559 1.327 1.00 0.00 C ATOM 0 H VAL A 50 -1.655 -12.369 3.310 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.932 -9.769 2.585 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.715 -10.808 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.263 -9.330 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.573 -8.427 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.570 -8.785 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.621 -11.681 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.892 -11.268 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.460 -12.501 1.815 1.00 0.00 H new ATOM 800 N LYS A 51 -2.289 -10.022 5.537 1.00 0.00 N ATOM 801 CA LYS A 51 -2.546 -9.303 6.773 1.00 0.00 C ATOM 802 C LYS A 51 -1.511 -8.190 6.935 1.00 0.00 C ATOM 803 O LYS A 51 -1.806 -7.139 7.503 1.00 0.00 O ATOM 804 CB LYS A 51 -2.598 -10.272 7.956 1.00 0.00 C ATOM 805 CG LYS A 51 -3.984 -10.907 8.085 1.00 0.00 C ATOM 806 CD LYS A 51 -3.952 -12.380 7.675 1.00 0.00 C ATOM 807 CE LYS A 51 -5.367 -12.957 7.589 1.00 0.00 C ATOM 808 NZ LYS A 51 -5.802 -13.055 6.178 1.00 0.00 N ATOM 0 H LYS A 51 -2.444 -11.029 5.589 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.525 -8.825 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.848 -11.052 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.350 -9.742 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.334 -10.820 9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.695 -10.367 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.455 -12.482 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.367 -12.949 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.393 -13.943 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.058 -12.325 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.764 -13.448 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.797 -12.109 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.152 -13.677 5.657 1.00 0.00 H new ATOM 822 N LYS A 52 -0.317 -8.456 6.425 1.00 0.00 N ATOM 823 CA LYS A 52 0.765 -7.490 6.507 1.00 0.00 C ATOM 824 C LYS A 52 0.510 -6.360 5.507 1.00 0.00 C ATOM 825 O LYS A 52 0.414 -5.196 5.891 1.00 0.00 O ATOM 826 CB LYS A 52 2.117 -8.182 6.321 1.00 0.00 C ATOM 827 CG LYS A 52 2.825 -8.368 7.665 1.00 0.00 C ATOM 828 CD LYS A 52 3.582 -7.101 8.066 1.00 0.00 C ATOM 829 CE LYS A 52 4.448 -7.349 9.304 1.00 0.00 C ATOM 830 NZ LYS A 52 5.733 -6.621 9.190 1.00 0.00 N ATOM 0 H LYS A 52 -0.075 -9.327 5.953 1.00 0.00 H new ATOM 0 HA LYS A 52 0.798 -7.038 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.971 -9.152 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.744 -7.590 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.094 -8.618 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.519 -9.206 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.210 -6.771 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.873 -6.298 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.917 -7.024 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.636 -8.417 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.309 -6.799 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.245 -6.951 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.548 -5.601 9.105 1.00 0.00 H new ATOM 844 N VAL A 53 0.408 -6.744 4.243 1.00 0.00 N ATOM 845 CA VAL A 53 0.166 -5.779 3.185 1.00 0.00 C ATOM 846 C VAL A 53 -0.869 -4.757 3.659 1.00 0.00 C ATOM 847 O VAL A 53 -0.537 -3.596 3.898 1.00 0.00 O ATOM 848 CB VAL A 53 -0.252 -6.501 1.902 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.138 -5.606 1.033 1.00 0.00 C ATOM 850 CG2 VAL A 53 0.971 -6.985 1.122 1.00 0.00 C ATOM 0 H VAL A 53 0.489 -7.711 3.928 1.00 0.00 H new ATOM 0 HA VAL A 53 1.080 -5.233 2.952 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.836 -7.377 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.421 -6.143 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.035 -5.333 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.590 -4.703 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.646 -7.495 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.594 -6.131 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.547 -7.675 1.739 1.00 0.00 H new ATOM 860 N GLU A 54 -2.103 -5.224 3.782 1.00 0.00 N ATOM 861 CA GLU A 54 -3.188 -4.365 4.224 1.00 0.00 C ATOM 862 C GLU A 54 -2.701 -3.418 5.323 1.00 0.00 C ATOM 863 O GLU A 54 -2.600 -2.211 5.106 1.00 0.00 O ATOM 864 CB GLU A 54 -4.382 -5.193 4.703 1.00 0.00 C ATOM 865 CG GLU A 54 -4.799 -6.217 3.645 1.00 0.00 C ATOM 866 CD GLU A 54 -6.246 -5.989 3.202 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.601 -4.807 3.009 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.965 -7.004 3.067 1.00 0.00 O ATOM 0 H GLU A 54 -2.375 -6.187 3.583 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.520 -3.766 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.125 -5.706 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.221 -4.533 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.135 -6.146 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.692 -7.225 4.047 1.00 0.00 H new ATOM 875 N GLU A 55 -2.413 -4.001 6.477 1.00 0.00 N ATOM 876 CA GLU A 55 -1.941 -3.224 7.610 1.00 0.00 C ATOM 877 C GLU A 55 -0.915 -2.186 7.151 1.00 0.00 C ATOM 878 O GLU A 55 -0.824 -1.101 7.724 1.00 0.00 O ATOM 879 CB GLU A 55 -1.354 -4.133 8.692 1.00 0.00 C ATOM 880 CG GLU A 55 -2.181 -4.059 9.977 1.00 0.00 C ATOM 881 CD GLU A 55 -1.950 -2.732 10.702 1.00 0.00 C ATOM 882 OE1 GLU A 55 -0.977 -2.674 11.486 1.00 0.00 O ATOM 883 OE2 GLU A 55 -2.751 -1.804 10.456 1.00 0.00 O ATOM 0 H GLU A 55 -2.497 -5.002 6.652 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.791 -2.699 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.326 -5.161 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.325 -3.840 8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.239 -4.168 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.914 -4.887 10.633 1.00 0.00 H new ATOM 890 N GLU A 56 -0.167 -2.555 6.120 1.00 0.00 N ATOM 891 CA GLU A 56 0.849 -1.669 5.577 1.00 0.00 C ATOM 892 C GLU A 56 0.196 -0.539 4.779 1.00 0.00 C ATOM 893 O GLU A 56 0.549 0.627 4.945 1.00 0.00 O ATOM 894 CB GLU A 56 1.847 -2.445 4.715 1.00 0.00 C ATOM 895 CG GLU A 56 3.223 -1.774 4.732 1.00 0.00 C ATOM 896 CD GLU A 56 3.707 -1.553 6.166 1.00 0.00 C ATOM 897 OE1 GLU A 56 4.105 -2.560 6.792 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.670 -0.383 6.604 1.00 0.00 O ATOM 0 H GLU A 56 -0.245 -3.455 5.647 1.00 0.00 H new ATOM 0 HA GLU A 56 1.401 -1.228 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.932 -3.468 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.480 -2.504 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.940 -2.393 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.172 -0.818 4.210 1.00 0.00 H new ATOM 905 N VAL A 57 -0.745 -0.925 3.929 1.00 0.00 N ATOM 906 CA VAL A 57 -1.450 0.041 3.105 1.00 0.00 C ATOM 907 C VAL A 57 -2.295 0.950 4.000 1.00 0.00 C ATOM 908 O VAL A 57 -2.610 2.077 3.624 1.00 0.00 O ATOM 909 CB VAL A 57 -2.275 -0.684 2.039 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.620 0.255 0.880 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.547 -1.932 1.537 1.00 0.00 C ATOM 0 H VAL A 57 -1.035 -1.893 3.794 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.743 0.677 2.573 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.210 -1.005 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.206 -0.285 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.199 1.099 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.701 0.620 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.155 -2.428 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.590 -1.645 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.377 -2.614 2.370 1.00 0.00 H new ATOM 921 N LYS A 58 -2.637 0.423 5.166 1.00 0.00 N ATOM 922 CA LYS A 58 -3.440 1.173 6.118 1.00 0.00 C ATOM 923 C LYS A 58 -2.626 2.356 6.645 1.00 0.00 C ATOM 924 O LYS A 58 -3.067 3.502 6.566 1.00 0.00 O ATOM 925 CB LYS A 58 -3.966 0.249 7.219 1.00 0.00 C ATOM 926 CG LYS A 58 -5.303 0.754 7.766 1.00 0.00 C ATOM 927 CD LYS A 58 -6.408 -0.284 7.558 1.00 0.00 C ATOM 928 CE LYS A 58 -7.740 0.212 8.124 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.827 -0.737 7.798 1.00 0.00 N ATOM 0 H LYS A 58 -2.373 -0.513 5.474 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.323 1.586 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.088 -0.760 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.237 0.189 8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.204 0.977 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.575 1.685 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.517 -0.496 6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.129 -1.220 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.662 0.327 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.972 1.195 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.724 -0.385 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.911 -0.827 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.611 -1.667 8.210 1.00 0.00 H new ATOM 943 N LYS A 59 -1.452 2.038 7.172 1.00 0.00 N ATOM 944 CA LYS A 59 -0.573 3.061 7.713 1.00 0.00 C ATOM 945 C LYS A 59 -0.573 4.272 6.777 1.00 0.00 C ATOM 946 O LYS A 59 -0.414 5.407 7.226 1.00 0.00 O ATOM 947 CB LYS A 59 0.821 2.485 7.973 1.00 0.00 C ATOM 948 CG LYS A 59 1.682 3.472 8.765 1.00 0.00 C ATOM 949 CD LYS A 59 3.160 3.325 8.400 1.00 0.00 C ATOM 950 CE LYS A 59 4.011 4.365 9.132 1.00 0.00 C ATOM 951 NZ LYS A 59 5.284 3.763 9.592 1.00 0.00 N ATOM 0 H LYS A 59 -1.089 1.087 7.236 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.937 3.405 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.735 1.548 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.306 2.253 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.353 4.491 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.549 3.301 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.504 2.323 8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.286 3.439 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.218 5.206 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.459 4.760 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.842 4.478 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.081 2.965 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.824 3.423 8.771 1.00 0.00 H new ATOM 965 N LEU A 60 -0.752 3.990 5.495 1.00 0.00 N ATOM 966 CA LEU A 60 -0.774 5.043 4.494 1.00 0.00 C ATOM 967 C LEU A 60 -2.091 5.815 4.601 1.00 0.00 C ATOM 968 O LEU A 60 -2.104 6.967 5.032 1.00 0.00 O ATOM 969 CB LEU A 60 -0.512 4.464 3.102 1.00 0.00 C ATOM 970 CG LEU A 60 0.938 4.507 2.619 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.438 3.107 2.254 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.101 5.494 1.461 1.00 0.00 C ATOM 0 H LEU A 60 -0.883 3.048 5.126 1.00 0.00 H new ATOM 0 HA LEU A 60 0.030 5.757 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.846 3.427 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.129 5.004 2.384 1.00 0.00 H new ATOM 0 HG LEU A 60 1.560 4.866 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.472 3.167 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.381 2.461 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.817 2.695 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.141 5.505 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.465 5.188 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.813 6.492 1.790 1.00 0.00 H new ATOM 984 N GLU A 61 -3.164 5.150 4.202 1.00 0.00 N ATOM 985 CA GLU A 61 -4.482 5.759 4.249 1.00 0.00 C ATOM 986 C GLU A 61 -4.593 6.695 5.453 1.00 0.00 C ATOM 987 O GLU A 61 -4.751 7.904 5.294 1.00 0.00 O ATOM 988 CB GLU A 61 -5.579 4.692 4.280 1.00 0.00 C ATOM 989 CG GLU A 61 -5.855 4.148 2.878 1.00 0.00 C ATOM 990 CD GLU A 61 -7.274 4.494 2.424 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.197 4.292 3.243 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.405 4.952 1.268 1.00 0.00 O ATOM 0 H GLU A 61 -3.148 4.195 3.844 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.620 6.348 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.279 3.876 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.493 5.117 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.133 4.563 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.721 3.066 2.871 1.00 0.00 H new ATOM 999 N GLU A 62 -4.505 6.100 6.634 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.592 6.864 7.867 1.00 0.00 C ATOM 1001 C GLU A 62 -3.750 8.138 7.762 1.00 0.00 C ATOM 1002 O GLU A 62 -4.291 9.242 7.719 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.162 6.021 9.068 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.346 5.752 10.001 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.819 7.043 10.671 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -4.986 7.659 11.370 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -7.004 7.387 10.469 1.00 0.00 O ATOM 0 H GLU A 62 -4.374 5.097 6.763 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.633 7.150 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.744 5.075 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.373 6.537 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.166 5.310 9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.057 5.028 10.762 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.441 7.942 7.724 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.519 9.061 7.624 1.00 0.00 C ATOM 1016 C GLU A 63 -1.927 9.985 6.475 1.00 0.00 C ATOM 1017 O GLU A 63 -2.150 11.177 6.681 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.080 8.572 7.451 1.00 0.00 C ATOM 1019 CG GLU A 63 0.875 9.345 8.362 1.00 0.00 C ATOM 1020 CD GLU A 63 0.847 8.786 9.786 1.00 0.00 C ATOM 1021 OE1 GLU A 63 0.014 9.284 10.575 1.00 0.00 O ATOM 1022 OE2 GLU A 63 1.658 7.874 10.054 1.00 0.00 O ATOM 0 H GLU A 63 -1.996 7.025 7.761 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.565 9.629 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.024 7.508 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.226 8.692 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.888 9.288 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.597 10.399 8.376 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.014 9.398 5.289 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.391 10.154 4.107 1.00 0.00 C ATOM 1031 C ILE A 64 -3.629 10.998 4.419 1.00 0.00 C ATOM 1032 O ILE A 64 -3.695 12.169 4.050 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.569 9.220 2.909 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.264 8.491 2.582 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.120 9.978 1.700 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.226 8.067 1.113 1.00 0.00 C ATOM 0 H ILE A 64 -1.830 8.409 5.122 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.596 10.846 3.828 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.304 8.460 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.416 9.141 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.164 7.613 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.237 9.291 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.088 10.411 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.428 10.773 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.288 7.551 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.061 7.398 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.302 8.949 0.478 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.578 10.369 5.097 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.810 11.047 5.463 1.00 0.00 C ATOM 1050 C LYS A 65 -5.482 12.243 6.358 1.00 0.00 C ATOM 1051 O LYS A 65 -6.198 13.244 6.351 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.798 10.062 6.091 1.00 0.00 C ATOM 1053 CG LYS A 65 -8.228 10.355 5.637 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.050 9.067 5.544 1.00 0.00 C ATOM 1055 CE LYS A 65 -10.464 9.353 5.035 1.00 0.00 C ATOM 1056 NZ LYS A 65 -11.471 8.746 5.933 1.00 0.00 N ATOM 0 H LYS A 65 -4.519 9.398 5.402 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.307 11.439 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.527 9.043 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.738 10.124 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.702 11.043 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.211 10.850 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.555 8.363 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.102 8.593 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.624 10.429 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.581 8.956 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.425 8.950 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.327 7.717 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.369 9.144 6.888 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.399 12.101 7.109 1.00 0.00 N ATOM 1071 CA LYS A 66 -3.967 13.157 8.009 1.00 0.00 C ATOM 1072 C LYS A 66 -3.079 14.141 7.243 1.00 0.00 C ATOM 1073 O LYS A 66 -3.075 15.335 7.536 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.300 12.564 9.251 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.723 13.317 10.513 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.503 13.774 11.315 1.00 0.00 C ATOM 1077 CE LYS A 66 -2.709 13.538 12.812 1.00 0.00 C ATOM 1078 NZ LYS A 66 -2.119 14.644 13.598 1.00 0.00 N ATOM 0 H LYS A 66 -3.808 11.270 7.112 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.825 13.720 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.568 11.512 9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.216 12.609 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.327 14.182 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.349 12.674 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.618 13.234 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.320 14.833 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.774 13.457 13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.251 12.593 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.268 14.467 14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.099 14.703 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.575 15.540 13.332 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.348 13.602 6.279 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.459 14.417 5.470 1.00 0.00 C ATOM 1094 C LEU A 67 -2.258 15.549 4.822 1.00 0.00 C ATOM 1095 O LEU A 67 -3.357 15.326 4.317 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.700 13.547 4.466 1.00 0.00 C ATOM 1097 CG LEU A 67 0.479 12.748 5.026 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.864 11.606 4.085 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.666 13.665 5.331 1.00 0.00 C ATOM 0 H LEU A 67 -2.353 12.610 6.040 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.696 14.883 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.405 12.849 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.331 14.189 3.666 1.00 0.00 H new ATOM 0 HG LEU A 67 0.169 12.297 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.704 11.054 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.014 10.934 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.148 12.014 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.491 13.073 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.985 14.164 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.369 14.412 6.067 1.00 0.00 H new TER 1111 LEU A 67