USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 248 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 21 HIS HE2 : A 21 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD Set 1.1: A 10 TYR OH : rot -143:sc= 0.69 USER MOD Set 1.2: A 12 SER OG : rot -105:sc= 0.466 USER MOD Set 1.3: A 17 ASN : amide:sc= -0.694 K(o=0.46,f=-6.3) USER MOD Single : A 1 LYS N :NH3+ -116:sc= 0.0801 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -143:sc= -0.0832 (180deg=-0.356) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 139:sc= 0.288 USER MOD Single : A 4 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.974 K(o=-0.97,f=-9.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 90:sc= 0.275 USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= -0.223 (180deg=-0.998) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc=-0.00113 (180deg=-0.162) USER MOD Single : A 27 SER OG : rot 160:sc= 0.328 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.561) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.497 -5.836 12.394 1.00 0.00 N ATOM 2 CA LYS A 1 -8.626 -4.378 12.132 1.00 0.00 C ATOM 3 C LYS A 1 -7.893 -3.992 10.840 1.00 0.00 C ATOM 4 O LYS A 1 -7.501 -4.849 10.070 1.00 0.00 O ATOM 5 CB LYS A 1 -8.043 -3.586 13.344 1.00 0.00 C ATOM 6 CG LYS A 1 -9.127 -3.366 14.432 1.00 0.00 C ATOM 7 CD LYS A 1 -10.291 -2.440 13.940 1.00 0.00 C ATOM 8 CE LYS A 1 -9.751 -1.123 13.316 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.751 -0.488 14.213 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.436 -6.281 12.352 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.878 -6.264 11.676 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.086 -5.984 13.338 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.680 -4.129 12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.200 -4.131 13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.661 -2.623 13.005 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.536 -4.330 14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.666 -2.926 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.893 -2.972 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.947 -2.204 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.297 -1.333 12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.577 -0.434 13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.857 0.546 14.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.903 -0.815 15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.793 -0.750 13.905 1.00 0.00 H new ATOM 25 N THR A 2 -7.737 -2.707 10.649 1.00 0.00 N ATOM 26 CA THR A 2 -7.048 -2.182 9.435 1.00 0.00 C ATOM 27 C THR A 2 -5.616 -1.745 9.773 1.00 0.00 C ATOM 28 O THR A 2 -5.325 -1.340 10.880 1.00 0.00 O ATOM 29 CB THR A 2 -7.840 -0.968 8.899 1.00 0.00 C ATOM 30 OG1 THR A 2 -9.202 -1.368 8.848 1.00 0.00 O ATOM 31 CG2 THR A 2 -7.498 -0.730 7.433 1.00 0.00 C ATOM 0 H THR A 2 -8.064 -1.989 11.295 1.00 0.00 H new ATOM 0 HA THR A 2 -7.003 -2.969 8.682 1.00 0.00 H new ATOM 0 HB THR A 2 -7.628 -0.098 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.748 -0.626 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.060 0.127 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.430 -0.533 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.758 -1.614 6.851 1.00 0.00 H new ATOM 39 N TYR A 3 -4.785 -1.853 8.773 1.00 0.00 N ATOM 40 CA TYR A 3 -3.340 -1.482 8.861 1.00 0.00 C ATOM 41 C TYR A 3 -3.210 -0.428 7.771 1.00 0.00 C ATOM 42 O TYR A 3 -3.861 -0.539 6.748 1.00 0.00 O ATOM 43 CB TYR A 3 -2.457 -2.713 8.537 1.00 0.00 C ATOM 44 CG TYR A 3 -3.231 -4.032 8.764 1.00 0.00 C ATOM 45 CD1 TYR A 3 -3.719 -4.403 10.009 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.443 -4.874 7.692 1.00 0.00 C ATOM 47 CE1 TYR A 3 -4.406 -5.594 10.163 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.132 -6.059 7.849 1.00 0.00 C ATOM 49 CZ TYR A 3 -4.617 -6.431 9.086 1.00 0.00 C ATOM 50 OH TYR A 3 -5.290 -7.622 9.268 1.00 0.00 O ATOM 0 H TYR A 3 -5.062 -2.200 7.855 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.029 -1.132 9.845 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.120 -2.660 7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.565 -2.699 9.164 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.562 -3.759 10.862 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.065 -4.602 6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.781 -5.872 11.137 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.293 -6.701 6.996 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.903 -7.769 8.518 1.00 0.00 H new ATOM 60 N GLN A 4 -2.381 0.554 7.984 1.00 0.00 N ATOM 61 CA GLN A 4 -2.232 1.616 6.942 1.00 0.00 C ATOM 62 C GLN A 4 -0.872 1.628 6.227 1.00 0.00 C ATOM 63 O GLN A 4 0.060 0.954 6.622 1.00 0.00 O ATOM 64 CB GLN A 4 -2.493 2.977 7.631 1.00 0.00 C ATOM 65 CG GLN A 4 -1.472 3.264 8.752 1.00 0.00 C ATOM 66 CD GLN A 4 -1.437 4.780 8.953 1.00 0.00 C ATOM 67 OE1 GLN A 4 -2.015 5.319 9.874 1.00 0.00 O ATOM 68 NE2 GLN A 4 -0.770 5.504 8.094 1.00 0.00 N ATOM 0 H GLN A 4 -1.807 0.670 8.819 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.953 1.409 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.449 3.773 6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.500 2.985 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.761 2.760 9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.486 2.889 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.283 5.055 7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.737 6.518 8.199 1.00 0.00 H new ATOM 77 N CYS A 5 -0.828 2.420 5.189 1.00 0.00 N ATOM 78 CA CYS A 5 0.388 2.597 4.336 1.00 0.00 C ATOM 79 C CYS A 5 1.264 3.705 4.950 1.00 0.00 C ATOM 80 O CYS A 5 0.808 4.373 5.857 1.00 0.00 O ATOM 81 CB CYS A 5 -0.139 2.935 2.927 1.00 0.00 C ATOM 82 SG CYS A 5 0.912 3.821 1.759 1.00 0.00 S ATOM 0 H CYS A 5 -1.625 2.979 4.883 1.00 0.00 H new ATOM 0 HA CYS A 5 1.021 1.711 4.277 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.428 1.996 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.049 3.521 3.053 1.00 0.00 H new ATOM 87 N GLN A 6 2.471 3.872 4.452 1.00 0.00 N ATOM 88 CA GLN A 6 3.387 4.927 5.006 1.00 0.00 C ATOM 89 C GLN A 6 3.806 5.929 3.918 1.00 0.00 C ATOM 90 O GLN A 6 4.861 6.533 4.008 1.00 0.00 O ATOM 91 CB GLN A 6 4.684 4.258 5.605 1.00 0.00 C ATOM 92 CG GLN A 6 4.397 2.947 6.369 1.00 0.00 C ATOM 93 CD GLN A 6 4.431 1.732 5.416 1.00 0.00 C ATOM 94 OE1 GLN A 6 3.831 1.703 4.361 1.00 0.00 O ATOM 95 NE2 GLN A 6 5.135 0.685 5.750 1.00 0.00 N ATOM 0 H GLN A 6 2.861 3.323 3.686 1.00 0.00 H new ATOM 0 HA GLN A 6 2.843 5.459 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.385 4.053 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.171 4.964 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.135 2.814 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.421 3.009 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.651 0.677 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.169 -0.125 5.131 1.00 0.00 H new ATOM 104 N TYR A 7 2.967 6.085 2.921 1.00 0.00 N ATOM 105 CA TYR A 7 3.259 7.027 1.797 1.00 0.00 C ATOM 106 C TYR A 7 2.058 7.971 1.598 1.00 0.00 C ATOM 107 O TYR A 7 2.133 9.147 1.899 1.00 0.00 O ATOM 108 CB TYR A 7 3.541 6.161 0.554 1.00 0.00 C ATOM 109 CG TYR A 7 4.692 5.176 0.868 1.00 0.00 C ATOM 110 CD1 TYR A 7 6.000 5.620 0.977 1.00 0.00 C ATOM 111 CD2 TYR A 7 4.438 3.825 1.057 1.00 0.00 C ATOM 112 CE1 TYR A 7 7.021 4.733 1.266 1.00 0.00 C ATOM 113 CE2 TYR A 7 5.455 2.941 1.347 1.00 0.00 C ATOM 114 CZ TYR A 7 6.759 3.388 1.454 1.00 0.00 C ATOM 115 OH TYR A 7 7.792 2.518 1.746 1.00 0.00 O ATOM 0 H TYR A 7 2.079 5.591 2.839 1.00 0.00 H new ATOM 0 HA TYR A 7 4.124 7.659 1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.644 5.611 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.809 6.794 -0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.224 6.667 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.425 3.459 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.035 5.095 1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.232 1.894 1.491 1.00 0.00 H new ATOM 0 HH TYR A 7 7.436 1.611 1.849 1.00 0.00 H new ATOM 125 N CYS A 8 0.973 7.427 1.103 1.00 0.00 N ATOM 126 CA CYS A 8 -0.259 8.252 0.869 1.00 0.00 C ATOM 127 C CYS A 8 -1.150 8.088 2.123 1.00 0.00 C ATOM 128 O CYS A 8 -0.625 8.002 3.219 1.00 0.00 O ATOM 129 CB CYS A 8 -0.966 7.722 -0.384 1.00 0.00 C ATOM 130 SG CYS A 8 -1.648 6.059 -0.211 1.00 0.00 S ATOM 0 H CYS A 8 0.885 6.443 0.849 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.031 9.306 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.772 8.406 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.260 7.727 -1.214 1.00 0.00 H new ATOM 135 N GLU A 9 -2.447 8.053 1.939 1.00 0.00 N ATOM 136 CA GLU A 9 -3.413 7.897 3.072 1.00 0.00 C ATOM 137 C GLU A 9 -4.270 6.637 2.835 1.00 0.00 C ATOM 138 O GLU A 9 -5.442 6.643 3.162 1.00 0.00 O ATOM 139 CB GLU A 9 -4.359 9.124 3.141 1.00 0.00 C ATOM 140 CG GLU A 9 -3.660 10.473 3.388 1.00 0.00 C ATOM 141 CD GLU A 9 -3.081 10.546 4.812 1.00 0.00 C ATOM 142 OE1 GLU A 9 -2.032 9.959 5.010 1.00 0.00 O ATOM 143 OE2 GLU A 9 -3.737 11.177 5.625 1.00 0.00 O ATOM 0 H GLU A 9 -2.889 8.128 1.023 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.853 7.813 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.916 9.187 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.087 8.958 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.861 10.610 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.370 11.286 3.239 1.00 0.00 H new ATOM 150 N TYR A 10 -3.692 5.590 2.290 1.00 0.00 N ATOM 151 CA TYR A 10 -4.499 4.356 2.047 1.00 0.00 C ATOM 152 C TYR A 10 -4.322 3.341 3.176 1.00 0.00 C ATOM 153 O TYR A 10 -3.332 3.334 3.884 1.00 0.00 O ATOM 154 CB TYR A 10 -4.049 3.722 0.715 1.00 0.00 C ATOM 155 CG TYR A 10 -4.736 2.357 0.497 1.00 0.00 C ATOM 156 CD1 TYR A 10 -6.102 2.279 0.316 1.00 0.00 C ATOM 157 CD2 TYR A 10 -3.997 1.192 0.493 1.00 0.00 C ATOM 158 CE1 TYR A 10 -6.720 1.060 0.139 1.00 0.00 C ATOM 159 CE2 TYR A 10 -4.611 -0.022 0.312 1.00 0.00 C ATOM 160 CZ TYR A 10 -5.973 -0.101 0.137 1.00 0.00 C ATOM 161 OH TYR A 10 -6.553 -1.341 -0.023 1.00 0.00 O ATOM 0 H TYR A 10 -2.713 5.539 2.008 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.552 4.633 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.290 4.391 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.967 3.593 0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.693 3.183 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.927 1.236 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.790 1.013 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.018 -0.925 0.307 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.085 -1.996 0.537 1.00 0.00 H new ATOM 171 N ARG A 11 -5.328 2.512 3.289 1.00 0.00 N ATOM 172 CA ARG A 11 -5.348 1.438 4.319 1.00 0.00 C ATOM 173 C ARG A 11 -5.879 0.119 3.752 1.00 0.00 C ATOM 174 O ARG A 11 -6.701 0.106 2.863 1.00 0.00 O ATOM 175 CB ARG A 11 -6.245 1.837 5.468 1.00 0.00 C ATOM 176 CG ARG A 11 -5.671 2.987 6.256 1.00 0.00 C ATOM 177 CD ARG A 11 -6.487 3.140 7.561 1.00 0.00 C ATOM 178 NE ARG A 11 -7.872 3.587 7.212 1.00 0.00 N ATOM 179 CZ ARG A 11 -8.375 4.657 7.762 1.00 0.00 C ATOM 180 NH1 ARG A 11 -8.701 4.598 9.024 1.00 0.00 N ATOM 181 NH2 ARG A 11 -8.534 5.727 7.038 1.00 0.00 N ATOM 0 H ARG A 11 -6.156 2.538 2.693 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.320 1.300 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.226 2.115 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.392 0.982 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.621 2.804 6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.714 3.906 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.520 2.193 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.011 3.865 8.221 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.425 3.053 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.560 3.734 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.097 5.416 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.266 5.721 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.926 6.571 7.455 1.00 0.00 H new ATOM 195 N SER A 12 -5.379 -0.949 4.315 1.00 0.00 N ATOM 196 CA SER A 12 -5.779 -2.328 3.898 1.00 0.00 C ATOM 197 C SER A 12 -6.161 -3.111 5.149 1.00 0.00 C ATOM 198 O SER A 12 -5.694 -2.807 6.227 1.00 0.00 O ATOM 199 CB SER A 12 -4.641 -3.065 3.264 1.00 0.00 C ATOM 200 OG SER A 12 -4.253 -2.330 2.117 1.00 0.00 O ATOM 0 H SER A 12 -4.691 -0.923 5.067 1.00 0.00 H new ATOM 0 HA SER A 12 -6.599 -2.240 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.808 -3.159 3.961 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.943 -4.076 2.989 1.00 0.00 H new ATOM 0 HG SER A 12 -4.569 -2.790 1.311 1.00 0.00 H new ATOM 206 N ALA A 13 -6.983 -4.107 4.973 1.00 0.00 N ATOM 207 CA ALA A 13 -7.431 -4.961 6.117 1.00 0.00 C ATOM 208 C ALA A 13 -6.985 -6.399 5.803 1.00 0.00 C ATOM 209 O ALA A 13 -6.781 -7.212 6.687 1.00 0.00 O ATOM 210 CB ALA A 13 -8.945 -4.836 6.225 1.00 0.00 C ATOM 0 H ALA A 13 -7.373 -4.373 4.069 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.000 -4.661 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.303 -5.449 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.212 -3.794 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.405 -5.175 5.297 1.00 0.00 H new ATOM 216 N ASP A 14 -6.848 -6.629 4.516 1.00 0.00 N ATOM 217 CA ASP A 14 -6.416 -7.946 3.974 1.00 0.00 C ATOM 218 C ASP A 14 -5.053 -7.652 3.306 1.00 0.00 C ATOM 219 O ASP A 14 -4.911 -7.670 2.102 1.00 0.00 O ATOM 220 CB ASP A 14 -7.444 -8.446 2.930 1.00 0.00 C ATOM 221 CG ASP A 14 -7.104 -9.907 2.579 1.00 0.00 C ATOM 222 OD1 ASP A 14 -7.440 -10.748 3.396 1.00 0.00 O ATOM 223 OD2 ASP A 14 -6.522 -10.103 1.524 1.00 0.00 O ATOM 0 H ASP A 14 -7.027 -5.926 3.799 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.341 -8.720 4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.456 -8.377 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.411 -7.823 2.036 1.00 0.00 H new ATOM 228 N SER A 15 -4.106 -7.372 4.172 1.00 0.00 N ATOM 229 CA SER A 15 -2.667 -7.050 3.856 1.00 0.00 C ATOM 230 C SER A 15 -2.132 -7.199 2.417 1.00 0.00 C ATOM 231 O SER A 15 -1.389 -6.350 1.975 1.00 0.00 O ATOM 232 CB SER A 15 -1.839 -7.901 4.853 1.00 0.00 C ATOM 233 OG SER A 15 -0.465 -7.734 4.521 1.00 0.00 O ATOM 0 H SER A 15 -4.292 -7.353 5.175 1.00 0.00 H new ATOM 0 HA SER A 15 -2.575 -5.969 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.027 -7.581 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.124 -8.951 4.789 1.00 0.00 H new ATOM 0 HG SER A 15 0.087 -8.260 5.137 1.00 0.00 H new ATOM 239 N SER A 16 -2.481 -8.248 1.723 1.00 0.00 N ATOM 240 CA SER A 16 -1.989 -8.433 0.319 1.00 0.00 C ATOM 241 C SER A 16 -2.267 -7.184 -0.542 1.00 0.00 C ATOM 242 O SER A 16 -1.457 -6.815 -1.372 1.00 0.00 O ATOM 243 CB SER A 16 -2.697 -9.667 -0.292 1.00 0.00 C ATOM 244 OG SER A 16 -2.347 -10.760 0.551 1.00 0.00 O ATOM 0 H SER A 16 -3.089 -8.991 2.066 1.00 0.00 H new ATOM 0 HA SER A 16 -0.910 -8.585 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.777 -9.525 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.369 -9.841 -1.317 1.00 0.00 H new ATOM 0 HG SER A 16 -2.769 -11.579 0.217 1.00 0.00 H new ATOM 250 N ASN A 17 -3.403 -6.567 -0.304 1.00 0.00 N ATOM 251 CA ASN A 17 -3.764 -5.345 -1.089 1.00 0.00 C ATOM 252 C ASN A 17 -3.104 -4.064 -0.512 1.00 0.00 C ATOM 253 O ASN A 17 -3.439 -2.970 -0.910 1.00 0.00 O ATOM 254 CB ASN A 17 -5.319 -5.218 -1.115 1.00 0.00 C ATOM 255 CG ASN A 17 -5.923 -4.954 0.259 1.00 0.00 C ATOM 256 OD1 ASN A 17 -5.818 -3.872 0.794 1.00 0.00 O ATOM 257 ND2 ASN A 17 -6.560 -5.903 0.875 1.00 0.00 N ATOM 0 H ASN A 17 -4.089 -6.855 0.394 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.383 -5.449 -2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.600 -4.409 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.745 -6.135 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.963 -5.732 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.657 -6.819 0.438 1.00 0.00 H new ATOM 264 N LEU A 18 -2.183 -4.245 0.412 1.00 0.00 N ATOM 265 CA LEU A 18 -1.437 -3.111 1.058 1.00 0.00 C ATOM 266 C LEU A 18 -0.040 -3.210 0.409 1.00 0.00 C ATOM 267 O LEU A 18 0.550 -2.217 0.023 1.00 0.00 O ATOM 268 CB LEU A 18 -1.317 -3.323 2.600 1.00 0.00 C ATOM 269 CG LEU A 18 -0.835 -2.028 3.373 1.00 0.00 C ATOM 270 CD1 LEU A 18 -1.848 -0.862 3.277 1.00 0.00 C ATOM 271 CD2 LEU A 18 -0.660 -2.354 4.883 1.00 0.00 C ATOM 0 H LEU A 18 -1.909 -5.165 0.756 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.927 -2.147 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.285 -3.634 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.617 -4.136 2.795 1.00 0.00 H new ATOM 0 HG LEU A 18 0.102 -1.724 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.465 -0.001 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.993 -0.591 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.801 -1.171 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.328 -1.461 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.612 -2.688 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.083 -3.143 5.001 1.00 0.00 H new ATOM 283 N LYS A 19 0.437 -4.434 0.306 1.00 0.00 N ATOM 284 CA LYS A 19 1.781 -4.671 -0.310 1.00 0.00 C ATOM 285 C LYS A 19 1.700 -4.294 -1.802 1.00 0.00 C ATOM 286 O LYS A 19 2.463 -3.469 -2.265 1.00 0.00 O ATOM 287 CB LYS A 19 2.172 -6.162 -0.184 1.00 0.00 C ATOM 288 CG LYS A 19 3.681 -6.316 -0.554 1.00 0.00 C ATOM 289 CD LYS A 19 4.076 -7.797 -0.785 1.00 0.00 C ATOM 290 CE LYS A 19 3.864 -8.624 0.489 1.00 0.00 C ATOM 291 NZ LYS A 19 4.067 -10.069 0.185 1.00 0.00 N ATOM 0 H LYS A 19 -0.048 -5.274 0.622 1.00 0.00 H new ATOM 0 HA LYS A 19 2.531 -4.067 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.994 -6.515 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.556 -6.771 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.894 -5.740 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.294 -5.898 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.481 -8.214 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.120 -7.856 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.561 -8.303 1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.859 -8.461 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.923 -10.629 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.385 -10.370 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.035 -10.217 -0.166 1.00 0.00 H new ATOM 305 N THR A 20 0.772 -4.898 -2.510 1.00 0.00 N ATOM 306 CA THR A 20 0.623 -4.595 -3.969 1.00 0.00 C ATOM 307 C THR A 20 0.263 -3.127 -4.160 1.00 0.00 C ATOM 308 O THR A 20 0.551 -2.573 -5.201 1.00 0.00 O ATOM 309 CB THR A 20 -0.479 -5.511 -4.580 1.00 0.00 C ATOM 310 OG1 THR A 20 -0.175 -6.833 -4.154 1.00 0.00 O ATOM 311 CG2 THR A 20 -0.291 -5.599 -6.111 1.00 0.00 C ATOM 0 H THR A 20 0.114 -5.585 -2.141 1.00 0.00 H new ATOM 0 HA THR A 20 1.566 -4.789 -4.479 1.00 0.00 H new ATOM 0 HB THR A 20 -1.462 -5.135 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.626 -7.014 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.063 -6.240 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.368 -4.602 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.691 -6.017 -6.334 1.00 0.00 H new ATOM 319 N HIS A 21 -0.353 -2.537 -3.159 1.00 0.00 N ATOM 320 CA HIS A 21 -0.727 -1.099 -3.259 1.00 0.00 C ATOM 321 C HIS A 21 0.651 -0.395 -3.347 1.00 0.00 C ATOM 322 O HIS A 21 0.968 0.129 -4.385 1.00 0.00 O ATOM 323 CB HIS A 21 -1.555 -0.747 -1.974 1.00 0.00 C ATOM 324 CG HIS A 21 -1.593 0.755 -1.690 1.00 0.00 C ATOM 325 ND1 HIS A 21 -2.472 1.602 -2.131 1.00 0.00 N ATOM 326 CD2 HIS A 21 -0.722 1.513 -0.929 1.00 0.00 C ATOM 327 CE1 HIS A 21 -2.186 2.788 -1.695 1.00 0.00 C ATOM 328 NE2 HIS A 21 -1.112 2.757 -0.956 1.00 0.00 N ATOM 0 H HIS A 21 -0.609 -2.993 -2.283 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.351 -0.807 -4.104 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.574 -1.117 -2.091 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.125 -1.264 -1.116 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -3.265 1.370 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.140 1.136 -0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.757 3.678 -1.913 1.00 0.00 H new ATOM 336 N ILE A 22 1.436 -0.407 -2.301 1.00 0.00 N ATOM 337 CA ILE A 22 2.790 0.254 -2.320 1.00 0.00 C ATOM 338 C ILE A 22 3.660 -0.034 -3.570 1.00 0.00 C ATOM 339 O ILE A 22 4.190 0.871 -4.186 1.00 0.00 O ATOM 340 CB ILE A 22 3.584 -0.195 -1.048 1.00 0.00 C ATOM 341 CG1 ILE A 22 2.901 0.331 0.234 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.045 0.354 -1.103 1.00 0.00 C ATOM 343 CD1 ILE A 22 3.369 -0.478 1.448 1.00 0.00 C ATOM 0 H ILE A 22 1.198 -0.853 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 22 2.590 1.325 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 22 3.599 -1.285 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.139 1.385 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.818 0.259 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.587 0.035 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.546 -0.032 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.023 1.443 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.882 -0.100 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.109 -1.527 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.450 -0.383 1.554 1.00 0.00 H new ATOM 355 N LYS A 23 3.768 -1.293 -3.898 1.00 0.00 N ATOM 356 CA LYS A 23 4.590 -1.731 -5.069 1.00 0.00 C ATOM 357 C LYS A 23 4.063 -1.432 -6.474 1.00 0.00 C ATOM 358 O LYS A 23 4.753 -1.691 -7.441 1.00 0.00 O ATOM 359 CB LYS A 23 4.827 -3.256 -4.920 1.00 0.00 C ATOM 360 CG LYS A 23 5.458 -3.539 -3.536 1.00 0.00 C ATOM 361 CD LYS A 23 5.753 -5.053 -3.345 1.00 0.00 C ATOM 362 CE LYS A 23 7.011 -5.469 -4.143 1.00 0.00 C ATOM 363 NZ LYS A 23 8.178 -4.623 -3.742 1.00 0.00 N ATOM 0 H LYS A 23 3.312 -2.054 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 23 5.495 -1.126 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.885 -3.794 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.484 -3.613 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.383 -2.971 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.784 -3.196 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.899 -5.270 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.896 -5.640 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.235 -6.520 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.825 -5.362 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.060 -5.152 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.190 -3.754 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.097 -4.374 -2.736 1.00 0.00 H new ATOM 377 N THR A 24 2.879 -0.900 -6.563 1.00 0.00 N ATOM 378 CA THR A 24 2.291 -0.585 -7.898 1.00 0.00 C ATOM 379 C THR A 24 1.813 0.861 -7.964 1.00 0.00 C ATOM 380 O THR A 24 1.794 1.470 -9.015 1.00 0.00 O ATOM 381 CB THR A 24 1.147 -1.578 -8.123 1.00 0.00 C ATOM 382 OG1 THR A 24 1.803 -2.839 -8.153 1.00 0.00 O ATOM 383 CG2 THR A 24 0.490 -1.433 -9.493 1.00 0.00 C ATOM 0 H THR A 24 2.287 -0.667 -5.765 1.00 0.00 H new ATOM 0 HA THR A 24 3.037 -0.685 -8.686 1.00 0.00 H new ATOM 0 HB THR A 24 0.380 -1.436 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.142 -3.549 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.312 -2.164 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.080 -0.428 -9.595 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.233 -1.603 -10.273 1.00 0.00 H new ATOM 391 N LYS A 25 1.449 1.358 -6.819 1.00 0.00 N ATOM 392 CA LYS A 25 0.945 2.748 -6.686 1.00 0.00 C ATOM 393 C LYS A 25 2.007 3.770 -6.241 1.00 0.00 C ATOM 394 O LYS A 25 1.839 4.933 -6.550 1.00 0.00 O ATOM 395 CB LYS A 25 -0.238 2.731 -5.690 1.00 0.00 C ATOM 396 CG LYS A 25 -1.398 1.857 -6.267 1.00 0.00 C ATOM 397 CD LYS A 25 -2.561 1.869 -5.253 1.00 0.00 C ATOM 398 CE LYS A 25 -3.821 1.173 -5.791 1.00 0.00 C ATOM 399 NZ LYS A 25 -4.844 1.124 -4.704 1.00 0.00 N ATOM 0 H LYS A 25 1.482 0.840 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 25 0.635 3.081 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.088 2.332 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.590 3.747 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.728 2.250 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.055 0.837 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.242 1.376 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.802 2.900 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.212 1.713 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.580 0.165 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.754 0.812 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.538 0.455 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.953 2.071 -4.287 1.00 0.00 H new ATOM 413 N HIS A 26 3.054 3.364 -5.554 1.00 0.00 N ATOM 414 CA HIS A 26 4.081 4.369 -5.124 1.00 0.00 C ATOM 415 C HIS A 26 5.390 4.152 -5.895 1.00 0.00 C ATOM 416 O HIS A 26 5.803 5.016 -6.643 1.00 0.00 O ATOM 417 CB HIS A 26 4.308 4.217 -3.593 1.00 0.00 C ATOM 418 CG HIS A 26 3.014 4.609 -2.882 1.00 0.00 C ATOM 419 ND1 HIS A 26 2.317 5.659 -3.181 1.00 0.00 N ATOM 420 CD2 HIS A 26 2.318 4.011 -1.846 1.00 0.00 C ATOM 421 CE1 HIS A 26 1.270 5.732 -2.420 1.00 0.00 C ATOM 422 NE2 HIS A 26 1.248 4.732 -1.588 1.00 0.00 N ATOM 0 H HIS A 26 3.239 2.400 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 26 3.732 5.379 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.581 3.190 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.131 4.852 -3.265 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.557 6.331 -3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.605 3.104 -1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.523 6.511 -2.470 1.00 0.00 H new ATOM 430 N SER A 27 5.969 2.995 -5.689 1.00 0.00 N ATOM 431 CA SER A 27 7.260 2.560 -6.330 1.00 0.00 C ATOM 432 C SER A 27 7.786 3.353 -7.553 1.00 0.00 C ATOM 433 O SER A 27 8.725 4.117 -7.448 1.00 0.00 O ATOM 434 CB SER A 27 7.134 1.056 -6.742 1.00 0.00 C ATOM 435 OG SER A 27 5.916 0.967 -7.469 1.00 0.00 O ATOM 0 H SER A 27 5.576 2.290 -5.065 1.00 0.00 H new ATOM 0 HA SER A 27 8.000 2.759 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.981 0.743 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.117 0.408 -5.866 1.00 0.00 H new ATOM 0 HG SER A 27 5.923 0.157 -8.021 1.00 0.00 H new ATOM 441 N LYS A 28 7.137 3.131 -8.672 1.00 0.00 N ATOM 442 CA LYS A 28 7.495 3.791 -9.971 1.00 0.00 C ATOM 443 C LYS A 28 6.371 4.701 -10.509 1.00 0.00 C ATOM 444 O LYS A 28 6.395 5.053 -11.674 1.00 0.00 O ATOM 445 CB LYS A 28 7.753 2.723 -11.026 1.00 0.00 C ATOM 446 CG LYS A 28 8.710 1.598 -10.565 1.00 0.00 C ATOM 447 CD LYS A 28 8.343 0.280 -11.315 1.00 0.00 C ATOM 448 CE LYS A 28 8.322 0.470 -12.850 1.00 0.00 C ATOM 449 NZ LYS A 28 7.846 -0.780 -13.504 1.00 0.00 N ATOM 0 H LYS A 28 6.343 2.494 -8.740 1.00 0.00 H new ATOM 0 HA LYS A 28 8.377 4.401 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.801 2.279 -11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.169 3.198 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.744 1.874 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.629 1.453 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.063 -0.496 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.366 -0.067 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.669 1.302 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.320 0.722 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.833 -0.649 -14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.486 -1.563 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.886 -1.002 -13.171 1.00 0.00 H new ATOM 463 N GLU A 29 5.425 5.064 -9.677 1.00 0.00 N ATOM 464 CA GLU A 29 4.297 5.943 -10.137 1.00 0.00 C ATOM 465 C GLU A 29 4.136 7.221 -9.305 1.00 0.00 C ATOM 466 O GLU A 29 3.987 8.285 -9.869 1.00 0.00 O ATOM 467 CB GLU A 29 2.991 5.095 -10.111 1.00 0.00 C ATOM 468 CG GLU A 29 3.138 3.972 -11.190 1.00 0.00 C ATOM 469 CD GLU A 29 1.796 3.319 -11.584 1.00 0.00 C ATOM 470 OE1 GLU A 29 0.872 4.074 -11.847 1.00 0.00 O ATOM 471 OE2 GLU A 29 1.766 2.099 -11.609 1.00 0.00 O ATOM 0 H GLU A 29 5.383 4.790 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 29 4.522 6.288 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.836 4.660 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.124 5.720 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.604 4.394 -12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.811 3.202 -10.813 1.00 0.00 H new ATOM 478 N LYS A 30 4.169 7.084 -8.005 1.00 0.00 N ATOM 479 CA LYS A 30 4.023 8.266 -7.093 1.00 0.00 C ATOM 480 C LYS A 30 5.275 8.378 -6.203 1.00 0.00 C ATOM 481 O LYS A 30 5.479 7.643 -5.255 1.00 0.00 O ATOM 482 CB LYS A 30 2.756 8.089 -6.215 1.00 0.00 C ATOM 483 CG LYS A 30 2.626 9.324 -5.292 1.00 0.00 C ATOM 484 CD LYS A 30 1.402 9.194 -4.382 1.00 0.00 C ATOM 485 CE LYS A 30 1.453 10.371 -3.383 1.00 0.00 C ATOM 486 NZ LYS A 30 0.322 10.280 -2.420 1.00 0.00 N ATOM 0 H LYS A 30 4.293 6.192 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 30 3.920 9.177 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.870 7.990 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.830 7.178 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.526 9.428 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.542 10.228 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.482 9.224 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.413 8.240 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.400 10.359 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.405 11.317 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.082 11.232 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.505 9.864 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.598 9.681 -1.616 1.00 0.00 H new TER 500 LYS A 30 HETATM 501 ZN ZN A 31 -0.142 4.322 -0.233 1.00 0.00 ZN