USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 264 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 153:sc= 0 (180deg=-0.842) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc=-0.00466 (180deg=-0.129) USER MOD Single : A 14 GLN : amide:sc= -0.643 K(o=-0.64,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 80:sc= -1.41 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 26 ASN : amide:sc= -0.0798 K(o=-0.08,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 137:sc= -0.294 (180deg=-0.625) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0709) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.251 -13.804 4.903 1.00 0.00 N ATOM 2 CA GLY A 1 -5.765 -15.021 5.526 1.00 0.00 C ATOM 3 C GLY A 1 -6.272 -15.187 6.945 1.00 0.00 C ATOM 4 O GLY A 1 -7.319 -15.793 7.170 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.575 -13.492 4.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.175 -13.985 4.461 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.352 -13.061 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.074 -15.879 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.675 -15.013 5.531 1.00 0.00 H new ATOM 8 N SER A 2 -5.527 -14.649 7.905 1.00 0.00 N ATOM 9 CA SER A 2 -5.904 -14.746 9.311 1.00 0.00 C ATOM 10 C SER A 2 -7.357 -14.328 9.513 1.00 0.00 C ATOM 11 O SER A 2 -8.105 -14.978 10.243 1.00 0.00 O ATOM 12 CB SER A 2 -4.986 -13.872 10.168 1.00 0.00 C ATOM 13 OG SER A 2 -3.837 -14.592 10.581 1.00 0.00 O ATOM 0 H SER A 2 -4.659 -14.141 7.735 1.00 0.00 H new ATOM 0 HA SER A 2 -5.797 -15.786 9.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.683 -12.992 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.530 -13.516 11.043 1.00 0.00 H new ATOM 0 HG SER A 2 -3.265 -14.011 11.126 1.00 0.00 H new ATOM 19 N SER A 3 -7.749 -13.238 8.862 1.00 0.00 N ATOM 20 CA SER A 3 -9.111 -12.730 8.972 1.00 0.00 C ATOM 21 C SER A 3 -9.751 -12.585 7.595 1.00 0.00 C ATOM 22 O SER A 3 -9.239 -11.873 6.732 1.00 0.00 O ATOM 23 CB SER A 3 -9.118 -11.381 9.695 1.00 0.00 C ATOM 24 OG SER A 3 -9.089 -11.555 11.101 1.00 0.00 O ATOM 0 H SER A 3 -7.142 -12.689 8.253 1.00 0.00 H new ATOM 0 HA SER A 3 -9.694 -13.447 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.256 -10.792 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.008 -10.819 9.413 1.00 0.00 H new ATOM 0 HG SER A 3 -9.092 -10.678 11.539 1.00 0.00 H new ATOM 30 N GLY A 4 -10.875 -13.267 7.396 1.00 0.00 N ATOM 31 CA GLY A 4 -11.567 -13.201 6.122 1.00 0.00 C ATOM 32 C GLY A 4 -10.937 -14.096 5.074 1.00 0.00 C ATOM 33 O GLY A 4 -10.548 -15.227 5.366 1.00 0.00 O ATOM 0 H GLY A 4 -11.319 -13.864 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.609 -13.489 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.566 -12.171 5.764 1.00 0.00 H new ATOM 37 N SER A 5 -10.837 -13.590 3.849 1.00 0.00 N ATOM 38 CA SER A 5 -10.254 -14.354 2.751 1.00 0.00 C ATOM 39 C SER A 5 -9.145 -13.561 2.066 1.00 0.00 C ATOM 40 O SER A 5 -9.079 -12.337 2.182 1.00 0.00 O ATOM 41 CB SER A 5 -11.333 -14.728 1.733 1.00 0.00 C ATOM 42 OG SER A 5 -11.870 -13.573 1.112 1.00 0.00 O ATOM 0 H SER A 5 -11.152 -12.655 3.591 1.00 0.00 H new ATOM 0 HA SER A 5 -9.823 -15.266 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.910 -15.388 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.130 -15.282 2.230 1.00 0.00 H new ATOM 0 HG SER A 5 -12.556 -13.839 0.465 1.00 0.00 H new ATOM 48 N SER A 6 -8.276 -14.268 1.352 1.00 0.00 N ATOM 49 CA SER A 6 -7.167 -13.632 0.650 1.00 0.00 C ATOM 50 C SER A 6 -7.332 -13.765 -0.861 1.00 0.00 C ATOM 51 O SER A 6 -6.890 -14.744 -1.461 1.00 0.00 O ATOM 52 CB SER A 6 -5.837 -14.252 1.086 1.00 0.00 C ATOM 53 OG SER A 6 -4.740 -13.536 0.546 1.00 0.00 O ATOM 0 H SER A 6 -8.318 -15.281 1.244 1.00 0.00 H new ATOM 0 HA SER A 6 -7.167 -12.572 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.773 -14.255 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.793 -15.291 0.761 1.00 0.00 H new ATOM 0 HG SER A 6 -3.902 -13.951 0.840 1.00 0.00 H new ATOM 59 N GLY A 7 -7.972 -12.771 -1.470 1.00 0.00 N ATOM 60 CA GLY A 7 -8.185 -12.795 -2.905 1.00 0.00 C ATOM 61 C GLY A 7 -8.654 -11.458 -3.444 1.00 0.00 C ATOM 62 O GLY A 7 -9.847 -11.255 -3.671 1.00 0.00 O ATOM 0 H GLY A 7 -8.347 -11.950 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.257 -13.078 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.923 -13.560 -3.147 1.00 0.00 H new ATOM 66 N LYS A 8 -7.714 -10.542 -3.648 1.00 0.00 N ATOM 67 CA LYS A 8 -8.035 -9.216 -4.163 1.00 0.00 C ATOM 68 C LYS A 8 -7.691 -9.110 -5.645 1.00 0.00 C ATOM 69 O LYS A 8 -6.688 -9.649 -6.114 1.00 0.00 O ATOM 70 CB LYS A 8 -7.281 -8.143 -3.375 1.00 0.00 C ATOM 71 CG LYS A 8 -7.922 -7.806 -2.040 1.00 0.00 C ATOM 72 CD LYS A 8 -6.885 -7.374 -1.016 1.00 0.00 C ATOM 73 CE LYS A 8 -7.531 -6.683 0.175 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.397 -7.612 0.952 1.00 0.00 N ATOM 0 H LYS A 8 -6.722 -10.694 -3.464 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.107 -9.058 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.259 -8.481 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.220 -7.237 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.653 -7.009 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.464 -8.675 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.326 -8.245 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.169 -6.699 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.755 -6.280 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.125 -5.838 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.819 -7.103 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.153 -7.977 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.825 -8.405 1.306 1.00 0.00 H new ATOM 88 N PRO A 9 -8.539 -8.398 -6.401 1.00 0.00 N ATOM 89 CA PRO A 9 -8.344 -8.203 -7.841 1.00 0.00 C ATOM 90 C PRO A 9 -7.156 -7.297 -8.147 1.00 0.00 C ATOM 91 O PRO A 9 -6.289 -7.643 -8.949 1.00 0.00 O ATOM 92 CB PRO A 9 -9.650 -7.544 -8.290 1.00 0.00 C ATOM 93 CG PRO A 9 -10.173 -6.868 -7.070 1.00 0.00 C ATOM 94 CD PRO A 9 -9.755 -7.729 -5.909 1.00 0.00 C ATOM 0 HA PRO A 9 -8.126 -9.140 -8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.477 -6.830 -9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.357 -8.283 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.765 -5.861 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.258 -6.770 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.554 -7.133 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.530 -8.448 -5.643 1.00 0.00 H new ATOM 102 N TYR A 10 -7.124 -6.135 -7.504 1.00 0.00 N ATOM 103 CA TYR A 10 -6.044 -5.178 -7.709 1.00 0.00 C ATOM 104 C TYR A 10 -4.741 -5.687 -7.100 1.00 0.00 C ATOM 105 O TYR A 10 -4.714 -6.149 -5.959 1.00 0.00 O ATOM 106 CB TYR A 10 -6.410 -3.824 -7.098 1.00 0.00 C ATOM 107 CG TYR A 10 -7.766 -3.313 -7.529 1.00 0.00 C ATOM 108 CD1 TYR A 10 -8.918 -3.673 -6.840 1.00 0.00 C ATOM 109 CD2 TYR A 10 -7.896 -2.468 -8.624 1.00 0.00 C ATOM 110 CE1 TYR A 10 -10.159 -3.209 -7.231 1.00 0.00 C ATOM 111 CE2 TYR A 10 -9.133 -1.997 -9.021 1.00 0.00 C ATOM 112 CZ TYR A 10 -10.261 -2.371 -8.322 1.00 0.00 C ATOM 113 OH TYR A 10 -11.495 -1.905 -8.713 1.00 0.00 O ATOM 0 H TYR A 10 -7.834 -5.833 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.900 -5.058 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.391 -3.908 -6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.651 -3.093 -7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.842 -4.327 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.015 -2.174 -9.175 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.044 -3.501 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.216 -1.340 -9.874 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.393 -1.326 -9.497 1.00 0.00 H new ATOM 123 N LYS A 11 -3.661 -5.600 -7.870 1.00 0.00 N ATOM 124 CA LYS A 11 -2.353 -6.049 -7.408 1.00 0.00 C ATOM 125 C LYS A 11 -1.298 -4.971 -7.632 1.00 0.00 C ATOM 126 O LYS A 11 -1.393 -4.179 -8.570 1.00 0.00 O ATOM 127 CB LYS A 11 -1.947 -7.334 -8.134 1.00 0.00 C ATOM 128 CG LYS A 11 -2.441 -8.599 -7.453 1.00 0.00 C ATOM 129 CD LYS A 11 -3.909 -8.856 -7.751 1.00 0.00 C ATOM 130 CE LYS A 11 -4.247 -10.336 -7.655 1.00 0.00 C ATOM 131 NZ LYS A 11 -3.693 -11.106 -8.802 1.00 0.00 N ATOM 0 H LYS A 11 -3.666 -5.222 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.421 -6.249 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.335 -7.304 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.860 -7.372 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.847 -9.449 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.297 -8.513 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.527 -8.294 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.148 -8.491 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.852 -10.739 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.329 -10.460 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.158 -12.035 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.864 -10.584 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.670 -11.238 -8.670 1.00 0.00 H new ATOM 145 N CYS A 12 -0.290 -4.948 -6.765 1.00 0.00 N ATOM 146 CA CYS A 12 0.784 -3.968 -6.868 1.00 0.00 C ATOM 147 C CYS A 12 1.820 -4.403 -7.901 1.00 0.00 C ATOM 148 O CYS A 12 2.371 -5.502 -7.840 1.00 0.00 O ATOM 149 CB CYS A 12 1.456 -3.772 -5.507 1.00 0.00 C ATOM 150 SG CYS A 12 2.635 -2.385 -5.453 1.00 0.00 S ATOM 0 H CYS A 12 -0.195 -5.597 -5.984 1.00 0.00 H new ATOM 0 HA CYS A 12 0.349 -3.022 -7.191 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.685 -3.609 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.978 -4.690 -5.236 1.00 0.00 H new ATOM 155 N PRO A 13 2.092 -3.520 -8.874 1.00 0.00 N ATOM 156 CA PRO A 13 3.063 -3.790 -9.938 1.00 0.00 C ATOM 157 C PRO A 13 4.498 -3.812 -9.422 1.00 0.00 C ATOM 158 O PRO A 13 5.421 -4.187 -10.145 1.00 0.00 O ATOM 159 CB PRO A 13 2.861 -2.622 -10.907 1.00 0.00 C ATOM 160 CG PRO A 13 2.309 -1.523 -10.065 1.00 0.00 C ATOM 161 CD PRO A 13 1.473 -2.191 -9.009 1.00 0.00 C ATOM 0 HA PRO A 13 2.909 -4.769 -10.391 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.801 -2.329 -11.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.174 -2.888 -11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.110 -0.936 -9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.708 -0.837 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.497 -1.639 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.428 -2.263 -9.310 1.00 0.00 H new ATOM 169 N GLN A 14 4.677 -3.409 -8.168 1.00 0.00 N ATOM 170 CA GLN A 14 6.000 -3.383 -7.557 1.00 0.00 C ATOM 171 C GLN A 14 6.199 -4.583 -6.637 1.00 0.00 C ATOM 172 O GLN A 14 7.068 -5.423 -6.873 1.00 0.00 O ATOM 173 CB GLN A 14 6.197 -2.085 -6.771 1.00 0.00 C ATOM 174 CG GLN A 14 5.992 -0.832 -7.606 1.00 0.00 C ATOM 175 CD GLN A 14 7.230 -0.446 -8.392 1.00 0.00 C ATOM 176 OE1 GLN A 14 7.471 -0.961 -9.484 1.00 0.00 O ATOM 177 NE2 GLN A 14 8.022 0.465 -7.839 1.00 0.00 N ATOM 0 H GLN A 14 3.923 -3.096 -7.556 1.00 0.00 H new ATOM 0 HA GLN A 14 6.741 -3.433 -8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.503 -2.070 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.203 -2.072 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.163 -0.991 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.709 -0.007 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.783 0.865 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.869 0.765 -8.321 1.00 0.00 H new ATOM 186 N CYS A 15 5.388 -4.658 -5.587 1.00 0.00 N ATOM 187 CA CYS A 15 5.474 -5.755 -4.630 1.00 0.00 C ATOM 188 C CYS A 15 4.221 -6.625 -4.686 1.00 0.00 C ATOM 189 O CYS A 15 3.347 -6.419 -5.527 1.00 0.00 O ATOM 190 CB CYS A 15 5.667 -5.210 -3.213 1.00 0.00 C ATOM 191 SG CYS A 15 4.157 -4.505 -2.476 1.00 0.00 S ATOM 0 H CYS A 15 4.663 -3.972 -5.377 1.00 0.00 H new ATOM 0 HA CYS A 15 6.334 -6.369 -4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.030 -6.014 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.441 -4.443 -3.232 1.00 0.00 H new ATOM 196 N SER A 16 4.142 -7.597 -3.783 1.00 0.00 N ATOM 197 CA SER A 16 2.999 -8.501 -3.731 1.00 0.00 C ATOM 198 C SER A 16 1.854 -7.883 -2.936 1.00 0.00 C ATOM 199 O SER A 16 1.119 -8.583 -2.238 1.00 0.00 O ATOM 200 CB SER A 16 3.407 -9.837 -3.106 1.00 0.00 C ATOM 201 OG SER A 16 4.493 -10.418 -3.807 1.00 0.00 O ATOM 0 H SER A 16 4.856 -7.779 -3.077 1.00 0.00 H new ATOM 0 HA SER A 16 2.657 -8.675 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.683 -9.685 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.558 -10.520 -3.114 1.00 0.00 H new ATOM 0 HG SER A 16 4.735 -11.270 -3.387 1.00 0.00 H new ATOM 207 N TYR A 17 1.707 -6.568 -3.047 1.00 0.00 N ATOM 208 CA TYR A 17 0.653 -5.853 -2.337 1.00 0.00 C ATOM 209 C TYR A 17 -0.648 -5.869 -3.134 1.00 0.00 C ATOM 210 O TYR A 17 -0.696 -5.407 -4.273 1.00 0.00 O ATOM 211 CB TYR A 17 1.080 -4.410 -2.064 1.00 0.00 C ATOM 212 CG TYR A 17 -0.051 -3.521 -1.601 1.00 0.00 C ATOM 213 CD1 TYR A 17 -0.994 -3.038 -2.500 1.00 0.00 C ATOM 214 CD2 TYR A 17 -0.177 -3.163 -0.264 1.00 0.00 C ATOM 215 CE1 TYR A 17 -2.030 -2.225 -2.081 1.00 0.00 C ATOM 216 CE2 TYR A 17 -1.210 -2.351 0.164 1.00 0.00 C ATOM 217 CZ TYR A 17 -2.133 -1.885 -0.748 1.00 0.00 C ATOM 218 OH TYR A 17 -3.163 -1.075 -0.326 1.00 0.00 O ATOM 0 H TYR A 17 2.305 -5.975 -3.622 1.00 0.00 H new ATOM 0 HA TYR A 17 0.482 -6.359 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.865 -4.409 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.513 -3.990 -2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.916 -3.303 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.545 -3.526 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.755 -1.858 -2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.294 -2.083 1.207 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.092 -0.932 0.641 1.00 0.00 H new ATOM 228 N ALA A 18 -1.701 -6.403 -2.524 1.00 0.00 N ATOM 229 CA ALA A 18 -3.003 -6.477 -3.174 1.00 0.00 C ATOM 230 C ALA A 18 -4.060 -5.723 -2.374 1.00 0.00 C ATOM 231 O ALA A 18 -4.013 -5.687 -1.145 1.00 0.00 O ATOM 232 CB ALA A 18 -3.418 -7.929 -3.363 1.00 0.00 C ATOM 0 H ALA A 18 -1.678 -6.791 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.919 -6.004 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.393 -7.968 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.682 -8.440 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.477 -8.420 -2.392 1.00 0.00 H new ATOM 238 N SER A 19 -5.013 -5.122 -3.079 1.00 0.00 N ATOM 239 CA SER A 19 -6.079 -4.365 -2.434 1.00 0.00 C ATOM 240 C SER A 19 -7.417 -4.618 -3.121 1.00 0.00 C ATOM 241 O SER A 19 -7.475 -4.836 -4.331 1.00 0.00 O ATOM 242 CB SER A 19 -5.756 -2.869 -2.456 1.00 0.00 C ATOM 243 OG SER A 19 -6.718 -2.129 -1.724 1.00 0.00 O ATOM 0 H SER A 19 -5.069 -5.145 -4.097 1.00 0.00 H new ATOM 0 HA SER A 19 -6.153 -4.698 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.765 -2.701 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.727 -2.515 -3.487 1.00 0.00 H new ATOM 0 HG SER A 19 -6.520 -2.192 -0.766 1.00 0.00 H new ATOM 249 N ALA A 20 -8.492 -4.586 -2.340 1.00 0.00 N ATOM 250 CA ALA A 20 -9.830 -4.810 -2.872 1.00 0.00 C ATOM 251 C ALA A 20 -10.342 -3.576 -3.607 1.00 0.00 C ATOM 252 O ALA A 20 -11.199 -3.677 -4.486 1.00 0.00 O ATOM 253 CB ALA A 20 -10.786 -5.193 -1.751 1.00 0.00 C ATOM 0 H ALA A 20 -8.462 -4.407 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.777 -5.631 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.782 -5.357 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.436 -6.107 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.825 -4.389 -1.016 1.00 0.00 H new ATOM 259 N ILE A 21 -9.812 -2.413 -3.243 1.00 0.00 N ATOM 260 CA ILE A 21 -10.215 -1.160 -3.869 1.00 0.00 C ATOM 261 C ILE A 21 -9.056 -0.528 -4.631 1.00 0.00 C ATOM 262 O ILE A 21 -7.908 -0.573 -4.187 1.00 0.00 O ATOM 263 CB ILE A 21 -10.740 -0.154 -2.828 1.00 0.00 C ATOM 264 CG1 ILE A 21 -11.964 -0.724 -2.107 1.00 0.00 C ATOM 265 CG2 ILE A 21 -11.082 1.169 -3.497 1.00 0.00 C ATOM 266 CD1 ILE A 21 -12.190 -0.126 -0.736 1.00 0.00 C ATOM 0 H ILE A 21 -9.102 -2.313 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.017 -1.400 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.958 0.025 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.849 -0.553 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.848 -1.803 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.452 1.870 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.189 1.579 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.850 1.007 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -13.074 -0.576 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.321 -0.320 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.338 0.950 -0.828 1.00 0.00 H new ATOM 278 N LYS A 22 -9.362 0.062 -5.781 1.00 0.00 N ATOM 279 CA LYS A 22 -8.347 0.707 -6.606 1.00 0.00 C ATOM 280 C LYS A 22 -7.670 1.842 -5.845 1.00 0.00 C ATOM 281 O LYS A 22 -6.465 1.805 -5.599 1.00 0.00 O ATOM 282 CB LYS A 22 -8.973 1.244 -7.895 1.00 0.00 C ATOM 283 CG LYS A 22 -7.982 1.949 -8.804 1.00 0.00 C ATOM 284 CD LYS A 22 -7.297 0.973 -9.746 1.00 0.00 C ATOM 285 CE LYS A 22 -6.682 1.688 -10.939 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.843 0.773 -11.762 1.00 0.00 N ATOM 0 H LYS A 22 -10.306 0.107 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.593 -0.038 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.428 0.417 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.775 1.937 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.499 2.714 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.232 2.460 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.521 0.429 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.019 0.235 -10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.474 2.109 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.074 2.522 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.442 1.298 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.072 0.390 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.429 -0.009 -12.118 1.00 0.00 H new ATOM 300 N ALA A 23 -8.453 2.850 -5.474 1.00 0.00 N ATOM 301 CA ALA A 23 -7.929 3.994 -4.738 1.00 0.00 C ATOM 302 C ALA A 23 -6.913 3.554 -3.690 1.00 0.00 C ATOM 303 O ALA A 23 -5.884 4.201 -3.499 1.00 0.00 O ATOM 304 CB ALA A 23 -9.065 4.766 -4.084 1.00 0.00 C ATOM 0 H ALA A 23 -9.453 2.897 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.421 4.648 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.659 5.618 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.753 5.121 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.598 4.113 -3.393 1.00 0.00 H new ATOM 310 N ASN A 24 -7.210 2.450 -3.012 1.00 0.00 N ATOM 311 CA ASN A 24 -6.322 1.924 -1.981 1.00 0.00 C ATOM 312 C ASN A 24 -4.937 1.635 -2.552 1.00 0.00 C ATOM 313 O ASN A 24 -3.922 2.030 -1.977 1.00 0.00 O ATOM 314 CB ASN A 24 -6.911 0.650 -1.372 1.00 0.00 C ATOM 315 CG ASN A 24 -7.926 0.946 -0.285 1.00 0.00 C ATOM 316 OD1 ASN A 24 -8.582 1.988 -0.298 1.00 0.00 O ATOM 317 ND2 ASN A 24 -8.060 0.027 0.665 1.00 0.00 N ATOM 0 H ASN A 24 -8.058 1.902 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.224 2.679 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.385 0.060 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.106 0.042 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.727 0.171 1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.496 -0.822 0.636 1.00 0.00 H new ATOM 324 N LEU A 25 -4.903 0.943 -3.686 1.00 0.00 N ATOM 325 CA LEU A 25 -3.643 0.601 -4.336 1.00 0.00 C ATOM 326 C LEU A 25 -2.913 1.856 -4.803 1.00 0.00 C ATOM 327 O LEU A 25 -1.703 1.986 -4.620 1.00 0.00 O ATOM 328 CB LEU A 25 -3.896 -0.328 -5.525 1.00 0.00 C ATOM 329 CG LEU A 25 -2.725 -0.517 -6.490 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.503 -1.039 -5.750 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.111 -1.461 -7.619 1.00 0.00 C ATOM 0 H LEU A 25 -5.734 0.608 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.015 0.087 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.186 -1.306 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.746 0.058 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.476 0.452 -6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.680 -1.167 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.213 -0.326 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.739 -1.998 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.265 -1.584 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.387 -2.430 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.957 -1.046 -8.167 1.00 0.00 H new ATOM 343 N ASN A 26 -3.657 2.778 -5.404 1.00 0.00 N ATOM 344 CA ASN A 26 -3.080 4.024 -5.896 1.00 0.00 C ATOM 345 C ASN A 26 -2.212 4.681 -4.827 1.00 0.00 C ATOM 346 O ASN A 26 -1.079 5.082 -5.092 1.00 0.00 O ATOM 347 CB ASN A 26 -4.187 4.986 -6.332 1.00 0.00 C ATOM 348 CG ASN A 26 -3.703 6.003 -7.347 1.00 0.00 C ATOM 349 OD1 ASN A 26 -2.577 5.920 -7.837 1.00 0.00 O ATOM 350 ND2 ASN A 26 -4.555 6.970 -7.668 1.00 0.00 N ATOM 0 H ASN A 26 -4.660 2.686 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.452 3.790 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.013 4.416 -6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.577 5.507 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.285 7.683 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.479 7.000 -7.237 1.00 0.00 H new ATOM 357 N VAL A 27 -2.753 4.788 -3.617 1.00 0.00 N ATOM 358 CA VAL A 27 -2.028 5.394 -2.507 1.00 0.00 C ATOM 359 C VAL A 27 -0.819 4.552 -2.114 1.00 0.00 C ATOM 360 O VAL A 27 0.229 5.084 -1.747 1.00 0.00 O ATOM 361 CB VAL A 27 -2.936 5.574 -1.276 1.00 0.00 C ATOM 362 CG1 VAL A 27 -2.146 6.149 -0.109 1.00 0.00 C ATOM 363 CG2 VAL A 27 -4.123 6.462 -1.615 1.00 0.00 C ATOM 0 H VAL A 27 -3.691 4.463 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.690 6.373 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.316 4.596 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.804 6.269 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.332 5.471 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.736 7.119 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.754 6.578 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.765 7.440 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.702 6.005 -2.418 1.00 0.00 H new ATOM 373 N HIS A 28 -0.971 3.234 -2.195 1.00 0.00 N ATOM 374 CA HIS A 28 0.109 2.317 -1.850 1.00 0.00 C ATOM 375 C HIS A 28 1.337 2.573 -2.718 1.00 0.00 C ATOM 376 O HIS A 28 2.473 2.445 -2.258 1.00 0.00 O ATOM 377 CB HIS A 28 -0.352 0.868 -2.012 1.00 0.00 C ATOM 378 CG HIS A 28 0.753 -0.132 -1.866 1.00 0.00 C ATOM 379 ND1 HIS A 28 1.249 -0.532 -0.643 1.00 0.00 N ATOM 380 CD2 HIS A 28 1.458 -0.815 -2.798 1.00 0.00 C ATOM 381 CE1 HIS A 28 2.212 -1.417 -0.829 1.00 0.00 C ATOM 382 NE2 HIS A 28 2.359 -1.607 -2.128 1.00 0.00 N ATOM 0 H HIS A 28 -1.832 2.777 -2.497 1.00 0.00 H new ATOM 0 HA HIS A 28 0.380 2.489 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.123 0.656 -1.271 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.811 0.749 -2.993 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.923 -0.197 0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.335 -0.750 -3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.782 -1.903 -0.051 1.00 0.00 H new ATOM 390 N LEU A 29 1.103 2.933 -3.974 1.00 0.00 N ATOM 391 CA LEU A 29 2.190 3.206 -4.908 1.00 0.00 C ATOM 392 C LEU A 29 2.889 4.517 -4.561 1.00 0.00 C ATOM 393 O LEU A 29 4.114 4.618 -4.636 1.00 0.00 O ATOM 394 CB LEU A 29 1.657 3.262 -6.340 1.00 0.00 C ATOM 395 CG LEU A 29 1.016 1.978 -6.869 1.00 0.00 C ATOM 396 CD1 LEU A 29 -0.079 2.303 -7.872 1.00 0.00 C ATOM 397 CD2 LEU A 29 2.069 1.077 -7.498 1.00 0.00 C ATOM 0 H LEU A 29 0.170 3.043 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 29 2.916 2.397 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.921 4.064 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.479 3.533 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 29 0.566 1.446 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.524 1.378 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.846 2.908 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.347 2.856 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.595 0.168 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.548 1.600 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.818 0.817 -6.751 1.00 0.00 H new ATOM 409 N ARG A 30 2.102 5.518 -4.180 1.00 0.00 N ATOM 410 CA ARG A 30 2.645 6.823 -3.821 1.00 0.00 C ATOM 411 C ARG A 30 3.927 6.673 -3.006 1.00 0.00 C ATOM 412 O ARG A 30 4.771 7.568 -2.986 1.00 0.00 O ATOM 413 CB ARG A 30 1.614 7.627 -3.027 1.00 0.00 C ATOM 414 CG ARG A 30 0.389 8.017 -3.838 1.00 0.00 C ATOM 415 CD ARG A 30 -0.705 8.591 -2.953 1.00 0.00 C ATOM 416 NE ARG A 30 -0.561 10.033 -2.770 1.00 0.00 N ATOM 417 CZ ARG A 30 -0.938 10.929 -3.675 1.00 0.00 C ATOM 418 NH1 ARG A 30 -1.479 10.535 -4.819 1.00 0.00 N ATOM 419 NH2 ARG A 30 -0.775 12.224 -3.435 1.00 0.00 N ATOM 0 H ARG A 30 1.087 5.450 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 30 2.881 7.357 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.296 7.042 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.088 8.531 -2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.670 8.751 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.009 7.144 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.678 8.377 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.681 8.098 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.149 10.370 -1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.607 9.541 -5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.767 11.226 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.360 12.531 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.065 12.912 -4.130 1.00 0.00 H new ATOM 433 N LYS A 31 4.064 5.534 -2.335 1.00 0.00 N ATOM 434 CA LYS A 31 5.242 5.265 -1.518 1.00 0.00 C ATOM 435 C LYS A 31 6.304 4.524 -2.324 1.00 0.00 C ATOM 436 O LYS A 31 7.502 4.741 -2.138 1.00 0.00 O ATOM 437 CB LYS A 31 4.857 4.445 -0.285 1.00 0.00 C ATOM 438 CG LYS A 31 3.781 5.096 0.567 1.00 0.00 C ATOM 439 CD LYS A 31 2.974 4.062 1.333 1.00 0.00 C ATOM 440 CE LYS A 31 1.916 4.716 2.207 1.00 0.00 C ATOM 441 NZ LYS A 31 0.860 5.382 1.395 1.00 0.00 N ATOM 0 H LYS A 31 3.374 4.783 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 31 5.656 6.220 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.510 3.463 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.745 4.285 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.242 5.791 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.116 5.680 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.496 3.379 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.642 3.465 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.459 3.963 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.388 5.449 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.074 5.174 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.017 6.410 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.898 5.028 0.418 1.00 0.00 H new ATOM 455 N HIS A 32 5.858 3.648 -3.219 1.00 0.00 N ATOM 456 CA HIS A 32 6.771 2.876 -4.054 1.00 0.00 C ATOM 457 C HIS A 32 7.598 3.795 -4.948 1.00 0.00 C ATOM 458 O HIS A 32 8.768 3.525 -5.221 1.00 0.00 O ATOM 459 CB HIS A 32 5.991 1.879 -4.912 1.00 0.00 C ATOM 460 CG HIS A 32 5.802 0.545 -4.257 1.00 0.00 C ATOM 461 ND1 HIS A 32 6.846 -0.195 -3.742 1.00 0.00 N ATOM 462 CD2 HIS A 32 4.682 -0.180 -4.032 1.00 0.00 C ATOM 463 CE1 HIS A 32 6.375 -1.319 -3.231 1.00 0.00 C ATOM 464 NE2 HIS A 32 5.064 -1.334 -3.394 1.00 0.00 N ATOM 0 H HIS A 32 4.870 3.455 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 32 7.449 2.329 -3.399 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.014 2.301 -5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.514 1.739 -5.858 1.00 0.00 H new ATOM 0 HD1 HIS A 32 7.828 0.082 -3.754 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.674 0.098 -4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.962 -2.094 -2.760 1.00 0.00 H new ATOM 472 N THR A 33 6.983 4.883 -5.401 1.00 0.00 N ATOM 473 CA THR A 33 7.662 5.841 -6.265 1.00 0.00 C ATOM 474 C THR A 33 8.221 7.008 -5.460 1.00 0.00 C ATOM 475 O THR A 33 7.516 7.976 -5.179 1.00 0.00 O ATOM 476 CB THR A 33 6.715 6.388 -7.350 1.00 0.00 C ATOM 477 OG1 THR A 33 7.298 7.536 -7.976 1.00 0.00 O ATOM 478 CG2 THR A 33 5.366 6.759 -6.754 1.00 0.00 C ATOM 0 H THR A 33 6.016 5.123 -5.184 1.00 0.00 H new ATOM 0 HA THR A 33 8.483 5.308 -6.744 1.00 0.00 H new ATOM 0 HB THR A 33 6.563 5.607 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.690 7.877 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.714 7.143 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.912 5.876 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.504 7.525 -5.990 1.00 0.00 H new ATOM 486 N GLY A 34 9.495 6.909 -5.090 1.00 0.00 N ATOM 487 CA GLY A 34 10.128 7.964 -4.320 1.00 0.00 C ATOM 488 C GLY A 34 10.158 9.285 -5.063 1.00 0.00 C ATOM 489 O GLY A 34 10.111 9.314 -6.292 1.00 0.00 O ATOM 0 H GLY A 34 10.099 6.117 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.595 8.092 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.147 7.667 -4.071 1.00 0.00 H new ATOM 493 N GLU A 35 10.236 10.381 -4.315 1.00 0.00 N ATOM 494 CA GLU A 35 10.270 11.712 -4.912 1.00 0.00 C ATOM 495 C GLU A 35 11.598 12.405 -4.621 1.00 0.00 C ATOM 496 O GLU A 35 12.285 12.075 -3.654 1.00 0.00 O ATOM 497 CB GLU A 35 9.112 12.561 -4.384 1.00 0.00 C ATOM 498 CG GLU A 35 7.762 12.180 -4.967 1.00 0.00 C ATOM 499 CD GLU A 35 7.737 12.258 -6.481 1.00 0.00 C ATOM 500 OE1 GLU A 35 7.752 13.385 -7.018 1.00 0.00 O ATOM 501 OE2 GLU A 35 7.703 11.191 -7.129 1.00 0.00 O ATOM 0 H GLU A 35 10.277 10.374 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 35 10.167 11.601 -5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.069 12.467 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.311 13.610 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.509 11.167 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.996 12.840 -4.560 1.00 0.00 H new ATOM 508 N LYS A 36 11.954 13.367 -5.465 1.00 0.00 N ATOM 509 CA LYS A 36 13.199 14.108 -5.301 1.00 0.00 C ATOM 510 C LYS A 36 13.266 14.759 -3.923 1.00 0.00 C ATOM 511 O LYS A 36 14.242 14.549 -3.205 1.00 0.00 O ATOM 512 CB LYS A 36 13.328 15.176 -6.389 1.00 0.00 C ATOM 513 CG LYS A 36 12.412 16.370 -6.181 1.00 0.00 C ATOM 514 CD LYS A 36 13.093 17.461 -5.371 1.00 0.00 C ATOM 515 CE LYS A 36 12.111 18.551 -4.969 1.00 0.00 C ATOM 516 NZ LYS A 36 11.183 18.094 -3.898 1.00 0.00 N ATOM 0 H LYS A 36 11.397 13.652 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 36 14.027 13.405 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.361 15.523 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.109 14.725 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.108 16.770 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.504 16.049 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.542 17.026 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.904 17.897 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.661 19.426 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.535 18.860 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.634 18.904 -3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.535 17.377 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.731 17.681 -3.117 1.00 0.00 H new TER 530 LYS A 36 HETATM 531 ZN ZN A 181 3.639 -2.591 -3.408 1.00 0.00 ZN