USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 266 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 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 19 SER OG : rot 60:sc= 0.322 USER MOD Set 1.2: A 24 ASN : amide:sc= 0.346 K(o=0.67,f=-0.17) USER MOD Set 2.1: A 6 SER OG : rot -140:sc= 0.567 USER MOD Set 2.2: A 8 LYS NZ :NH3+ 160:sc= 0.612 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0664 (180deg=0) 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.37) 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.764 K(o=0.76,f=-6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.466 -9.995 -12.422 1.00 0.00 N ATOM 2 CA GLY A 1 -17.149 -8.979 -11.394 1.00 0.00 C ATOM 3 C GLY A 1 -17.137 -7.570 -11.974 1.00 0.00 C ATOM 4 O GLY A 1 -17.703 -7.322 -13.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.199 -10.638 -12.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.813 -9.523 -13.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.609 -10.539 -12.648 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.883 -9.035 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.176 -9.199 -10.954 1.00 0.00 H new ATOM 10 N SER A 2 -16.497 -6.631 -11.270 1.00 0.00 N ATOM 11 CA SER A 2 -16.370 -5.213 -11.662 1.00 0.00 C ATOM 12 C SER A 2 -15.044 -4.590 -11.190 1.00 0.00 C ATOM 13 O SER A 2 -14.298 -5.189 -10.409 1.00 0.00 O ATOM 14 CB SER A 2 -17.561 -4.410 -11.113 1.00 0.00 C ATOM 15 OG SER A 2 -17.499 -4.306 -9.696 1.00 0.00 O ATOM 0 H SER A 2 -16.037 -6.837 -10.383 1.00 0.00 H new ATOM 0 HA SER A 2 -16.371 -5.174 -12.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.566 -3.413 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.494 -4.892 -11.405 1.00 0.00 H new ATOM 0 HG SER A 2 -18.266 -3.790 -9.372 1.00 0.00 H new ATOM 21 N SER A 3 -14.754 -3.368 -11.647 1.00 0.00 N ATOM 22 CA SER A 3 -13.547 -2.595 -11.289 1.00 0.00 C ATOM 23 C SER A 3 -13.621 -1.898 -9.914 1.00 0.00 C ATOM 24 O SER A 3 -12.706 -1.154 -9.550 1.00 0.00 O ATOM 25 CB SER A 3 -13.242 -1.563 -12.387 1.00 0.00 C ATOM 26 OG SER A 3 -13.157 -2.188 -13.661 1.00 0.00 O ATOM 0 H SER A 3 -15.365 -2.870 -12.294 1.00 0.00 H new ATOM 0 HA SER A 3 -12.739 -3.322 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.022 -0.801 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.304 -1.055 -12.164 1.00 0.00 H new ATOM 0 HG SER A 3 -12.964 -1.513 -14.344 1.00 0.00 H new ATOM 32 N GLY A 4 -14.703 -2.099 -9.150 1.00 0.00 N ATOM 33 CA GLY A 4 -14.920 -1.490 -7.829 1.00 0.00 C ATOM 34 C GLY A 4 -13.996 -2.018 -6.718 1.00 0.00 C ATOM 35 O GLY A 4 -13.334 -3.050 -6.862 1.00 0.00 O ATOM 0 H GLY A 4 -15.471 -2.704 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.784 -0.412 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.955 -1.658 -7.532 1.00 0.00 H new ATOM 39 N SER A 5 -13.969 -1.303 -5.589 1.00 0.00 N ATOM 40 CA SER A 5 -13.172 -1.623 -4.390 1.00 0.00 C ATOM 41 C SER A 5 -13.913 -1.274 -3.089 1.00 0.00 C ATOM 42 O SER A 5 -14.997 -0.682 -3.110 1.00 0.00 O ATOM 43 CB SER A 5 -11.822 -0.889 -4.452 1.00 0.00 C ATOM 44 OG SER A 5 -11.983 0.500 -4.195 1.00 0.00 O ATOM 0 H SER A 5 -14.521 -0.453 -5.476 1.00 0.00 H new ATOM 0 HA SER A 5 -13.003 -2.700 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.136 -1.320 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.372 -1.031 -5.435 1.00 0.00 H new ATOM 0 HG SER A 5 -11.110 0.944 -4.238 1.00 0.00 H new ATOM 50 N SER A 6 -13.320 -1.611 -1.939 1.00 0.00 N ATOM 51 CA SER A 6 -13.867 -1.324 -0.600 1.00 0.00 C ATOM 52 C SER A 6 -13.783 0.158 -0.179 1.00 0.00 C ATOM 53 O SER A 6 -14.215 0.505 0.922 1.00 0.00 O ATOM 54 CB SER A 6 -13.153 -2.167 0.471 1.00 0.00 C ATOM 55 OG SER A 6 -12.661 -3.408 -0.020 1.00 0.00 O ATOM 0 H SER A 6 -12.426 -2.102 -1.908 1.00 0.00 H new ATOM 0 HA SER A 6 -14.923 -1.583 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.322 -1.592 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.844 -2.358 1.292 1.00 0.00 H new ATOM 0 HG SER A 6 -12.810 -4.107 0.650 1.00 0.00 H new ATOM 61 N GLY A 7 -13.187 1.032 -1.004 1.00 0.00 N ATOM 62 CA GLY A 7 -12.893 2.429 -0.650 1.00 0.00 C ATOM 63 C GLY A 7 -11.648 2.607 0.238 1.00 0.00 C ATOM 64 O GLY A 7 -11.557 3.587 0.980 1.00 0.00 O ATOM 0 H GLY A 7 -12.892 0.785 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.757 3.003 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.756 2.851 -0.135 1.00 0.00 H new ATOM 68 N LYS A 8 -10.700 1.657 0.186 1.00 0.00 N ATOM 69 CA LYS A 8 -9.432 1.659 0.946 1.00 0.00 C ATOM 70 C LYS A 8 -8.617 2.944 0.670 1.00 0.00 C ATOM 71 O LYS A 8 -8.289 3.195 -0.494 1.00 0.00 O ATOM 72 CB LYS A 8 -8.625 0.403 0.566 1.00 0.00 C ATOM 73 CG LYS A 8 -9.166 -0.869 1.240 1.00 0.00 C ATOM 74 CD LYS A 8 -8.657 -2.137 0.532 1.00 0.00 C ATOM 75 CE LYS A 8 -8.862 -3.433 1.334 1.00 0.00 C ATOM 76 NZ LYS A 8 -10.292 -3.729 1.626 1.00 0.00 N ATOM 0 H LYS A 8 -10.796 0.834 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.652 1.643 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.647 0.274 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.582 0.545 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.861 -0.887 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.256 -0.855 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.165 -2.233 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.594 -2.019 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.432 -4.267 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.315 -3.360 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.398 -4.738 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.607 -3.157 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.871 -3.499 0.793 1.00 0.00 H new ATOM 90 N PRO A 9 -8.283 3.764 1.690 1.00 0.00 N ATOM 91 CA PRO A 9 -7.706 5.096 1.479 1.00 0.00 C ATOM 92 C PRO A 9 -6.189 5.092 1.273 1.00 0.00 C ATOM 93 O PRO A 9 -5.672 5.946 0.551 1.00 0.00 O ATOM 94 CB PRO A 9 -8.065 5.890 2.735 1.00 0.00 C ATOM 95 CG PRO A 9 -8.117 4.826 3.826 1.00 0.00 C ATOM 96 CD PRO A 9 -8.602 3.574 3.099 1.00 0.00 C ATOM 0 HA PRO A 9 -8.106 5.528 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.319 6.653 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.022 6.401 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.138 4.670 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.798 5.110 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.111 2.683 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.674 3.435 3.239 1.00 0.00 H new ATOM 104 N TYR A 10 -5.464 4.165 1.907 1.00 0.00 N ATOM 105 CA TYR A 10 -4.004 4.144 1.872 1.00 0.00 C ATOM 106 C TYR A 10 -3.515 3.396 0.625 1.00 0.00 C ATOM 107 O TYR A 10 -3.497 2.163 0.603 1.00 0.00 O ATOM 108 CB TYR A 10 -3.459 3.547 3.177 1.00 0.00 C ATOM 109 CG TYR A 10 -3.949 4.256 4.423 1.00 0.00 C ATOM 110 CD1 TYR A 10 -3.442 5.526 4.759 1.00 0.00 C ATOM 111 CD2 TYR A 10 -4.956 3.669 5.212 1.00 0.00 C ATOM 112 CE1 TYR A 10 -3.946 6.209 5.884 1.00 0.00 C ATOM 113 CE2 TYR A 10 -5.452 4.343 6.343 1.00 0.00 C ATOM 114 CZ TYR A 10 -4.947 5.617 6.683 1.00 0.00 C ATOM 115 OH TYR A 10 -5.427 6.284 7.768 1.00 0.00 O ATOM 0 H TYR A 10 -5.875 3.411 2.457 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.619 5.161 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.744 2.496 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.370 3.581 3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.668 5.976 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.349 2.698 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.565 7.188 6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.219 3.886 6.951 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.112 5.740 8.210 1.00 0.00 H new ATOM 125 N LYS A 11 -3.139 4.139 -0.424 1.00 0.00 N ATOM 126 CA LYS A 11 -2.773 3.604 -1.749 1.00 0.00 C ATOM 127 C LYS A 11 -1.294 3.806 -2.088 1.00 0.00 C ATOM 128 O LYS A 11 -0.702 4.825 -1.723 1.00 0.00 O ATOM 129 CB LYS A 11 -3.675 4.196 -2.845 1.00 0.00 C ATOM 130 CG LYS A 11 -5.168 3.971 -2.559 1.00 0.00 C ATOM 131 CD LYS A 11 -6.031 4.295 -3.782 1.00 0.00 C ATOM 132 CE LYS A 11 -7.515 4.119 -3.435 1.00 0.00 C ATOM 133 NZ LYS A 11 -8.391 4.452 -4.587 1.00 0.00 N ATOM 0 H LYS A 11 -3.078 5.156 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.934 2.527 -1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.482 5.265 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.420 3.746 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.330 2.935 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.476 4.594 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.844 5.318 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.762 3.641 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.697 3.090 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.769 4.757 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.386 4.321 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.235 5.441 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.166 3.827 -5.387 1.00 0.00 H new ATOM 147 N CYS A 12 -0.717 2.856 -2.824 1.00 0.00 N ATOM 148 CA CYS A 12 0.656 2.930 -3.322 1.00 0.00 C ATOM 149 C CYS A 12 0.798 4.034 -4.401 1.00 0.00 C ATOM 150 O CYS A 12 -0.064 4.147 -5.281 1.00 0.00 O ATOM 151 CB CYS A 12 1.070 1.540 -3.820 1.00 0.00 C ATOM 152 SG CYS A 12 2.785 1.543 -4.422 1.00 0.00 S ATOM 0 H CYS A 12 -1.199 1.999 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 12 1.336 3.219 -2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.966 0.815 -3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.401 1.223 -4.620 1.00 0.00 H new ATOM 157 N PRO A 13 1.874 4.844 -4.370 1.00 0.00 N ATOM 158 CA PRO A 13 2.183 5.822 -5.414 1.00 0.00 C ATOM 159 C PRO A 13 2.704 5.174 -6.712 1.00 0.00 C ATOM 160 O PRO A 13 2.809 5.860 -7.731 1.00 0.00 O ATOM 161 CB PRO A 13 3.222 6.754 -4.777 1.00 0.00 C ATOM 162 CG PRO A 13 3.961 5.850 -3.791 1.00 0.00 C ATOM 163 CD PRO A 13 2.866 4.903 -3.308 1.00 0.00 C ATOM 0 HA PRO A 13 1.289 6.357 -5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.898 7.170 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.749 7.596 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.778 5.311 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.395 6.419 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.273 3.913 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.421 5.265 -2.381 1.00 0.00 H new ATOM 171 N GLN A 14 3.038 3.875 -6.692 1.00 0.00 N ATOM 172 CA GLN A 14 3.646 3.139 -7.812 1.00 0.00 C ATOM 173 C GLN A 14 2.789 1.961 -8.325 1.00 0.00 C ATOM 174 O GLN A 14 2.905 1.608 -9.504 1.00 0.00 O ATOM 175 CB GLN A 14 5.049 2.668 -7.390 1.00 0.00 C ATOM 176 CG GLN A 14 6.021 3.842 -7.180 1.00 0.00 C ATOM 177 CD GLN A 14 7.368 3.391 -6.621 1.00 0.00 C ATOM 178 OE1 GLN A 14 7.699 3.624 -5.466 1.00 0.00 O ATOM 179 NE2 GLN A 14 8.203 2.739 -7.405 1.00 0.00 N ATOM 0 H GLN A 14 2.888 3.289 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 14 3.714 3.823 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.974 2.092 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.450 1.999 -8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.178 4.354 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.572 4.564 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.943 2.536 -8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.109 2.437 -7.046 1.00 0.00 H new ATOM 188 N CYS A 15 1.918 1.386 -7.485 1.00 0.00 N ATOM 189 CA CYS A 15 1.049 0.241 -7.818 1.00 0.00 C ATOM 190 C CYS A 15 -0.455 0.580 -7.744 1.00 0.00 C ATOM 191 O CYS A 15 -0.865 1.637 -7.260 1.00 0.00 O ATOM 192 CB CYS A 15 1.329 -0.942 -6.864 1.00 0.00 C ATOM 193 SG CYS A 15 3.093 -1.271 -6.580 1.00 0.00 S ATOM 0 H CYS A 15 1.792 1.711 -6.527 1.00 0.00 H new ATOM 0 HA CYS A 15 1.285 -0.025 -8.848 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.850 -0.742 -5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.865 -1.840 -7.271 1.00 0.00 H new ATOM 198 N SER A 16 -1.285 -0.392 -8.135 1.00 0.00 N ATOM 199 CA SER A 16 -2.741 -0.400 -7.897 1.00 0.00 C ATOM 200 C SER A 16 -3.098 -0.846 -6.459 1.00 0.00 C ATOM 201 O SER A 16 -4.276 -0.970 -6.119 1.00 0.00 O ATOM 202 CB SER A 16 -3.444 -1.307 -8.919 1.00 0.00 C ATOM 203 OG SER A 16 -3.103 -0.950 -10.254 1.00 0.00 O ATOM 0 H SER A 16 -0.960 -1.217 -8.638 1.00 0.00 H new ATOM 0 HA SER A 16 -3.092 0.625 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.167 -2.345 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.524 -1.237 -8.787 1.00 0.00 H new ATOM 0 HG SER A 16 -3.565 -1.546 -10.880 1.00 0.00 H new ATOM 209 N TYR A 17 -2.089 -1.109 -5.614 1.00 0.00 N ATOM 210 CA TYR A 17 -2.223 -1.543 -4.219 1.00 0.00 C ATOM 211 C TYR A 17 -2.971 -0.513 -3.359 1.00 0.00 C ATOM 212 O TYR A 17 -2.679 0.686 -3.412 1.00 0.00 O ATOM 213 CB TYR A 17 -0.824 -1.811 -3.635 1.00 0.00 C ATOM 214 CG TYR A 17 -0.796 -2.120 -2.146 1.00 0.00 C ATOM 215 CD1 TYR A 17 -0.726 -1.072 -1.202 1.00 0.00 C ATOM 216 CD2 TYR A 17 -0.856 -3.457 -1.704 1.00 0.00 C ATOM 217 CE1 TYR A 17 -0.732 -1.359 0.174 1.00 0.00 C ATOM 218 CE2 TYR A 17 -0.839 -3.747 -0.326 1.00 0.00 C ATOM 219 CZ TYR A 17 -0.778 -2.695 0.615 1.00 0.00 C ATOM 220 OH TYR A 17 -0.767 -2.961 1.946 1.00 0.00 O ATOM 0 H TYR A 17 -1.114 -1.020 -5.900 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.816 -2.458 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.377 -2.647 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.196 -0.940 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.668 -0.047 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.915 -4.260 -2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.701 -0.554 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.873 -4.773 0.011 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.804 -3.930 2.086 1.00 0.00 H new ATOM 230 N ALA A 18 -3.893 -1.000 -2.525 1.00 0.00 N ATOM 231 CA ALA A 18 -4.591 -0.226 -1.503 1.00 0.00 C ATOM 232 C ALA A 18 -4.801 -1.045 -0.214 1.00 0.00 C ATOM 233 O ALA A 18 -4.984 -2.264 -0.271 1.00 0.00 O ATOM 234 CB ALA A 18 -5.919 0.267 -2.089 1.00 0.00 C ATOM 0 H ALA A 18 -4.182 -1.978 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.983 0.632 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.455 0.848 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.723 0.893 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.525 -0.589 -2.386 1.00 0.00 H new ATOM 240 N SER A 19 -4.826 -0.376 0.942 1.00 0.00 N ATOM 241 CA SER A 19 -5.177 -0.968 2.243 1.00 0.00 C ATOM 242 C SER A 19 -6.002 -0.022 3.127 1.00 0.00 C ATOM 243 O SER A 19 -6.024 1.195 2.925 1.00 0.00 O ATOM 244 CB SER A 19 -3.911 -1.431 2.979 1.00 0.00 C ATOM 245 OG SER A 19 -4.264 -2.272 4.070 1.00 0.00 O ATOM 0 H SER A 19 -4.598 0.616 1.004 1.00 0.00 H new ATOM 0 HA SER A 19 -5.810 -1.831 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.257 -1.968 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.354 -0.567 3.341 1.00 0.00 H new ATOM 0 HG SER A 19 -4.749 -3.055 3.736 1.00 0.00 H new ATOM 251 N ALA A 20 -6.676 -0.589 4.132 1.00 0.00 N ATOM 252 CA ALA A 20 -7.367 0.134 5.200 1.00 0.00 C ATOM 253 C ALA A 20 -6.430 0.544 6.362 1.00 0.00 C ATOM 254 O ALA A 20 -6.869 1.229 7.289 1.00 0.00 O ATOM 255 CB ALA A 20 -8.534 -0.739 5.679 1.00 0.00 C ATOM 0 H ALA A 20 -6.757 -1.601 4.226 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.742 1.079 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.069 -0.225 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.214 -0.926 4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.149 -1.688 6.053 1.00 0.00 H new ATOM 261 N ILE A 21 -5.152 0.135 6.322 1.00 0.00 N ATOM 262 CA ILE A 21 -4.152 0.370 7.377 1.00 0.00 C ATOM 263 C ILE A 21 -2.912 1.061 6.784 1.00 0.00 C ATOM 264 O ILE A 21 -2.274 0.534 5.868 1.00 0.00 O ATOM 265 CB ILE A 21 -3.795 -0.965 8.083 1.00 0.00 C ATOM 266 CG1 ILE A 21 -5.053 -1.679 8.638 1.00 0.00 C ATOM 267 CG2 ILE A 21 -2.781 -0.719 9.219 1.00 0.00 C ATOM 268 CD1 ILE A 21 -4.776 -3.045 9.280 1.00 0.00 C ATOM 0 H ILE A 21 -4.774 -0.385 5.530 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.569 1.036 8.132 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.345 -1.618 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.526 -1.033 9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.768 -1.811 7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.541 -1.665 9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.872 -0.282 8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.213 -0.036 9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.711 -3.474 9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.333 -3.712 8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.087 -2.921 10.115 1.00 0.00 H new ATOM 280 N LYS A 22 -2.523 2.214 7.344 1.00 0.00 N ATOM 281 CA LYS A 22 -1.367 3.017 6.891 1.00 0.00 C ATOM 282 C LYS A 22 -0.031 2.281 7.045 1.00 0.00 C ATOM 283 O LYS A 22 0.833 2.365 6.175 1.00 0.00 O ATOM 284 CB LYS A 22 -1.368 4.352 7.659 1.00 0.00 C ATOM 285 CG LYS A 22 -0.430 5.395 7.032 1.00 0.00 C ATOM 286 CD LYS A 22 -0.547 6.741 7.765 1.00 0.00 C ATOM 287 CE LYS A 22 0.258 7.860 7.088 1.00 0.00 C ATOM 288 NZ LYS A 22 1.728 7.668 7.215 1.00 0.00 N ATOM 0 H LYS A 22 -3.009 2.627 8.140 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.472 3.202 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.382 4.751 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.068 4.173 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.599 5.039 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.676 5.526 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.596 7.033 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.201 6.621 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.008 7.906 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.018 8.818 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.223 8.451 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.990 7.651 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.000 6.767 6.772 1.00 0.00 H new ATOM 302 N ALA A 23 0.120 1.501 8.114 1.00 0.00 N ATOM 303 CA ALA A 23 1.302 0.670 8.357 1.00 0.00 C ATOM 304 C ALA A 23 1.465 -0.476 7.337 1.00 0.00 C ATOM 305 O ALA A 23 2.588 -0.869 7.026 1.00 0.00 O ATOM 306 CB ALA A 23 1.216 0.127 9.783 1.00 0.00 C ATOM 0 H ALA A 23 -0.585 1.426 8.848 1.00 0.00 H new ATOM 0 HA ALA A 23 2.189 1.292 8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.087 -0.496 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.190 0.958 10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.310 -0.469 9.891 1.00 0.00 H new ATOM 312 N ASN A 24 0.368 -0.984 6.764 1.00 0.00 N ATOM 313 CA ASN A 24 0.427 -2.009 5.719 1.00 0.00 C ATOM 314 C ASN A 24 0.988 -1.420 4.407 1.00 0.00 C ATOM 315 O ASN A 24 1.856 -2.023 3.773 1.00 0.00 O ATOM 316 CB ASN A 24 -0.978 -2.614 5.565 1.00 0.00 C ATOM 317 CG ASN A 24 -1.000 -3.982 4.901 1.00 0.00 C ATOM 318 OD1 ASN A 24 -0.007 -4.688 4.781 1.00 0.00 O ATOM 319 ND2 ASN A 24 -2.167 -4.420 4.494 1.00 0.00 N ATOM 0 H ASN A 24 -0.579 -0.698 7.010 1.00 0.00 H new ATOM 0 HA ASN A 24 1.114 -2.809 5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.437 -2.694 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.594 -1.930 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.247 -5.348 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.995 -3.833 4.593 1.00 0.00 H new ATOM 326 N LEU A 25 0.598 -0.181 4.071 1.00 0.00 N ATOM 327 CA LEU A 25 1.205 0.594 2.987 1.00 0.00 C ATOM 328 C LEU A 25 2.678 0.929 3.286 1.00 0.00 C ATOM 329 O LEU A 25 3.514 0.831 2.393 1.00 0.00 O ATOM 330 CB LEU A 25 0.366 1.862 2.740 1.00 0.00 C ATOM 331 CG LEU A 25 0.980 2.810 1.692 1.00 0.00 C ATOM 332 CD1 LEU A 25 1.133 2.131 0.332 1.00 0.00 C ATOM 333 CD2 LEU A 25 0.101 4.045 1.526 1.00 0.00 C ATOM 0 H LEU A 25 -0.155 0.312 4.551 1.00 0.00 H new ATOM 0 HA LEU A 25 1.208 -0.007 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.632 1.570 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.249 2.400 3.681 1.00 0.00 H new ATOM 0 HG LEU A 25 1.969 3.092 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.569 2.833 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.784 1.263 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.155 1.812 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.543 4.709 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.893 3.743 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.024 4.567 2.480 1.00 0.00 H new ATOM 345 N ASN A 26 3.022 1.269 4.531 1.00 0.00 N ATOM 346 CA ASN A 26 4.410 1.504 4.947 1.00 0.00 C ATOM 347 C ASN A 26 5.287 0.263 4.667 1.00 0.00 C ATOM 348 O ASN A 26 6.307 0.376 3.992 1.00 0.00 O ATOM 349 CB ASN A 26 4.397 1.953 6.421 1.00 0.00 C ATOM 350 CG ASN A 26 5.729 2.446 6.963 1.00 0.00 C ATOM 351 OD1 ASN A 26 6.792 1.901 6.711 1.00 0.00 O ATOM 352 ND2 ASN A 26 5.712 3.457 7.800 1.00 0.00 N ATOM 0 H ASN A 26 2.344 1.390 5.283 1.00 0.00 H new ATOM 0 HA ASN A 26 4.869 2.302 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.661 2.749 6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.061 1.117 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.579 3.777 8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.831 3.922 8.020 1.00 0.00 H new ATOM 359 N VAL A 27 4.842 -0.939 5.056 1.00 0.00 N ATOM 360 CA VAL A 27 5.528 -2.208 4.731 1.00 0.00 C ATOM 361 C VAL A 27 5.583 -2.468 3.221 1.00 0.00 C ATOM 362 O VAL A 27 6.615 -2.912 2.718 1.00 0.00 O ATOM 363 CB VAL A 27 4.865 -3.388 5.466 1.00 0.00 C ATOM 364 CG1 VAL A 27 5.417 -4.758 5.050 1.00 0.00 C ATOM 365 CG2 VAL A 27 5.093 -3.260 6.976 1.00 0.00 C ATOM 0 H VAL A 27 3.993 -1.065 5.607 1.00 0.00 H new ATOM 0 HA VAL A 27 6.558 -2.115 5.076 1.00 0.00 H new ATOM 0 HB VAL A 27 3.809 -3.339 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.904 -5.542 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.255 -4.907 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.485 -4.800 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.621 -4.099 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.163 -3.264 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.658 -2.326 7.332 1.00 0.00 H new ATOM 375 N HIS A 28 4.524 -2.145 2.473 1.00 0.00 N ATOM 376 CA HIS A 28 4.525 -2.270 1.013 1.00 0.00 C ATOM 377 C HIS A 28 5.572 -1.346 0.352 1.00 0.00 C ATOM 378 O HIS A 28 6.281 -1.756 -0.568 1.00 0.00 O ATOM 379 CB HIS A 28 3.109 -1.999 0.482 1.00 0.00 C ATOM 380 CG HIS A 28 3.006 -2.071 -1.020 1.00 0.00 C ATOM 381 ND1 HIS A 28 2.765 -3.195 -1.774 1.00 0.00 N ATOM 382 CD2 HIS A 28 3.173 -1.031 -1.892 1.00 0.00 C ATOM 383 CE1 HIS A 28 2.794 -2.851 -3.071 1.00 0.00 C ATOM 384 NE2 HIS A 28 3.070 -1.531 -3.207 1.00 0.00 N ATOM 0 H HIS A 28 3.648 -1.792 2.859 1.00 0.00 H new ATOM 0 HA HIS A 28 4.814 -3.287 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.421 -2.722 0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.788 -1.011 0.813 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.593 -4.132 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.353 -0.001 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.621 -3.531 -3.892 1.00 0.00 H new ATOM 392 N LEU A 29 5.731 -0.115 0.848 1.00 0.00 N ATOM 393 CA LEU A 29 6.743 0.840 0.370 1.00 0.00 C ATOM 394 C LEU A 29 8.167 0.455 0.752 1.00 0.00 C ATOM 395 O LEU A 29 9.091 0.791 0.012 1.00 0.00 O ATOM 396 CB LEU A 29 6.494 2.226 0.952 1.00 0.00 C ATOM 397 CG LEU A 29 5.229 2.890 0.418 1.00 0.00 C ATOM 398 CD1 LEU A 29 4.868 3.954 1.448 1.00 0.00 C ATOM 399 CD2 LEU A 29 5.415 3.550 -0.950 1.00 0.00 C ATOM 0 H LEU A 29 5.154 0.254 1.604 1.00 0.00 H new ATOM 0 HA LEU A 29 6.649 0.831 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.424 2.149 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.350 2.863 0.732 1.00 0.00 H new ATOM 0 HG LEU A 29 4.454 2.137 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.965 4.476 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.693 3.481 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.687 4.668 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.475 4.002 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.183 4.321 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.720 2.798 -1.678 1.00 0.00 H new ATOM 411 N ARG A 30 8.365 -0.273 1.858 1.00 0.00 N ATOM 412 CA ARG A 30 9.705 -0.745 2.241 1.00 0.00 C ATOM 413 C ARG A 30 10.312 -1.690 1.185 1.00 0.00 C ATOM 414 O ARG A 30 11.531 -1.864 1.133 1.00 0.00 O ATOM 415 CB ARG A 30 9.691 -1.433 3.618 1.00 0.00 C ATOM 416 CG ARG A 30 9.481 -0.450 4.776 1.00 0.00 C ATOM 417 CD ARG A 30 9.225 -1.196 6.092 1.00 0.00 C ATOM 418 NE ARG A 30 8.592 -0.307 7.080 1.00 0.00 N ATOM 419 CZ ARG A 30 8.505 -0.480 8.384 1.00 0.00 C ATOM 420 NH1 ARG A 30 9.021 -1.510 8.994 1.00 0.00 N ATOM 421 NH2 ARG A 30 7.874 0.403 9.098 1.00 0.00 N ATOM 0 H ARG A 30 7.622 -0.547 2.500 1.00 0.00 H new ATOM 0 HA ARG A 30 10.336 0.142 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.899 -2.182 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.633 -1.962 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.359 0.187 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.637 0.203 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.584 -2.058 5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.166 -1.577 6.489 1.00 0.00 H new ATOM 0 HE ARG A 30 8.170 0.545 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.517 -2.224 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.929 -1.602 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.454 1.217 8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.798 0.283 10.108 1.00 0.00 H new ATOM 435 N LYS A 31 9.465 -2.275 0.322 1.00 0.00 N ATOM 436 CA LYS A 31 9.852 -3.067 -0.858 1.00 0.00 C ATOM 437 C LYS A 31 10.212 -2.186 -2.063 1.00 0.00 C ATOM 438 O LYS A 31 11.045 -2.592 -2.874 1.00 0.00 O ATOM 439 CB LYS A 31 8.731 -4.060 -1.224 1.00 0.00 C ATOM 440 CG LYS A 31 8.344 -4.993 -0.063 1.00 0.00 C ATOM 441 CD LYS A 31 7.213 -5.947 -0.476 1.00 0.00 C ATOM 442 CE LYS A 31 6.734 -6.823 0.692 1.00 0.00 C ATOM 443 NZ LYS A 31 7.749 -7.831 1.103 1.00 0.00 N ATOM 0 H LYS A 31 8.453 -2.207 0.431 1.00 0.00 H new ATOM 0 HA LYS A 31 10.752 -3.623 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.850 -3.502 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.051 -4.662 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.214 -5.569 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.029 -4.400 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.374 -5.367 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.558 -6.586 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.493 -6.187 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.815 -7.334 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.377 -8.396 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.961 -8.457 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.618 -7.346 1.403 1.00 0.00 H new ATOM 457 N HIS A 32 9.638 -0.979 -2.172 1.00 0.00 N ATOM 458 CA HIS A 32 10.019 0.003 -3.198 1.00 0.00 C ATOM 459 C HIS A 32 11.305 0.779 -2.856 1.00 0.00 C ATOM 460 O HIS A 32 12.096 1.068 -3.757 1.00 0.00 O ATOM 461 CB HIS A 32 8.853 0.972 -3.434 1.00 0.00 C ATOM 462 CG HIS A 32 7.658 0.331 -4.089 1.00 0.00 C ATOM 463 ND1 HIS A 32 7.666 -0.382 -5.265 1.00 0.00 N ATOM 464 CD2 HIS A 32 6.363 0.378 -3.652 1.00 0.00 C ATOM 465 CE1 HIS A 32 6.412 -0.769 -5.534 1.00 0.00 C ATOM 466 NE2 HIS A 32 5.562 -0.323 -4.577 1.00 0.00 N ATOM 0 H HIS A 32 8.896 -0.656 -1.551 1.00 0.00 H new ATOM 0 HA HIS A 32 10.238 -0.553 -4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.548 1.399 -2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.198 1.798 -4.056 1.00 0.00 H new ATOM 0 HD1 HIS A 32 8.487 -0.582 -5.836 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.014 0.867 -2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.119 -1.354 -6.393 1.00 0.00 H new ATOM 474 N THR A 33 11.535 1.112 -1.580 1.00 0.00 N ATOM 475 CA THR A 33 12.738 1.833 -1.120 1.00 0.00 C ATOM 476 C THR A 33 13.137 1.485 0.321 1.00 0.00 C ATOM 477 O THR A 33 12.288 1.250 1.183 1.00 0.00 O ATOM 478 CB THR A 33 12.570 3.354 -1.294 1.00 0.00 C ATOM 479 OG1 THR A 33 13.790 4.002 -0.996 1.00 0.00 O ATOM 480 CG2 THR A 33 11.473 3.976 -0.425 1.00 0.00 C ATOM 0 H THR A 33 10.886 0.888 -0.826 1.00 0.00 H new ATOM 0 HA THR A 33 13.558 1.497 -1.755 1.00 0.00 H new ATOM 0 HB THR A 33 12.272 3.497 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.683 4.970 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.425 5.049 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.513 3.522 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.699 3.801 0.627 1.00 0.00 H new ATOM 488 N GLY A 34 14.446 1.469 0.583 1.00 0.00 N ATOM 489 CA GLY A 34 15.051 1.201 1.896 1.00 0.00 C ATOM 490 C GLY A 34 16.511 1.670 1.990 1.00 0.00 C ATOM 491 O GLY A 34 17.313 1.068 2.707 1.00 0.00 O ATOM 0 H GLY A 34 15.143 1.649 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.465 1.698 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.005 0.131 2.100 1.00 0.00 H new ATOM 495 N GLU A 35 16.881 2.696 1.218 1.00 0.00 N ATOM 496 CA GLU A 35 18.269 3.149 1.038 1.00 0.00 C ATOM 497 C GLU A 35 18.794 3.988 2.222 1.00 0.00 C ATOM 498 O GLU A 35 18.023 4.634 2.942 1.00 0.00 O ATOM 499 CB GLU A 35 18.406 3.930 -0.282 1.00 0.00 C ATOM 500 CG GLU A 35 17.912 3.177 -1.530 1.00 0.00 C ATOM 501 CD GLU A 35 18.592 1.805 -1.706 1.00 0.00 C ATOM 502 OE1 GLU A 35 19.822 1.757 -1.954 1.00 0.00 O ATOM 503 OE2 GLU A 35 17.900 0.764 -1.602 1.00 0.00 O ATOM 0 H GLU A 35 16.209 3.250 0.687 1.00 0.00 H new ATOM 0 HA GLU A 35 18.889 2.253 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 35 17.851 4.864 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.454 4.194 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 16.833 3.037 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 35 18.099 3.786 -2.414 1.00 0.00 H new ATOM 510 N LYS A 36 20.123 3.992 2.406 1.00 0.00 N ATOM 511 CA LYS A 36 20.857 4.734 3.450 1.00 0.00 C ATOM 512 C LYS A 36 22.226 5.249 2.969 1.00 0.00 C ATOM 513 O LYS A 36 22.697 6.270 3.520 1.00 0.00 O ATOM 514 CB LYS A 36 20.972 3.876 4.727 1.00 0.00 C ATOM 515 CG LYS A 36 21.759 2.563 4.543 1.00 0.00 C ATOM 516 CD LYS A 36 21.896 1.760 5.846 1.00 0.00 C ATOM 517 CE LYS A 36 20.543 1.246 6.360 1.00 0.00 C ATOM 518 NZ LYS A 36 20.702 0.421 7.587 1.00 0.00 N ATOM 519 OXT LYS A 36 22.811 4.651 2.036 1.00 0.00 O ATOM 0 H LYS A 36 20.747 3.454 1.805 1.00 0.00 H new ATOM 0 HA LYS A 36 20.281 5.628 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 21.453 4.468 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.969 3.638 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 36 21.260 1.948 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 36 22.752 2.792 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 36 22.564 0.915 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 36 22.358 2.386 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.888 2.091 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.059 0.654 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.769 0.091 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.307 -0.399 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 21.142 0.994 8.336 1.00 0.00 H new TER 533 LYS A 36 HETATM 534 ZN ZN A 101 3.659 -0.430 -4.660 1.00 0.00 ZN