USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 254 hydrogens (15 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 10 ALC H2 : A 10 ALC N : A 9 GLU C :(H bumps) USER MOD NoAdj-H: A 10 ALC H : A 10 ALC N : A 9 GLU C :(H bumps) 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 19 LYS NZ :NH3+ -166:sc= -0.0163 (180deg=-0.253) USER MOD Set 1.2: A 23 LYS NZ :NH3+ -134:sc= -2.48! (180deg=-3.43!) USER MOD Set 2.1: A 15 SER OG : rot 100:sc= -0.251 USER MOD Set 2.2: A 16 SER OG : rot 97:sc= 0.511 USER MOD Single : A 1 LYS N :NH3+ -168:sc= -0.021 (180deg=-0.432) USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= -0.0423 (180deg=-0.448) USER MOD Single : A 2 THR OG1 : rot -150:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.84) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -75:sc= -1.23 USER MOD Single : A 17 ASN : amide:sc= -1.01 K(o=-1,f=-0.015) USER MOD Single : A 20 THR OG1 : rot 85:sc= 0.304 USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.819 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0672 (180deg=-0.548) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= -1.72 (180deg=-4.33!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.986 12.359 -5.682 1.00 0.00 N ATOM 2 CA LYS A 1 -7.167 13.501 -5.175 1.00 0.00 C ATOM 3 C LYS A 1 -5.738 13.000 -4.956 1.00 0.00 C ATOM 4 O LYS A 1 -4.789 13.602 -5.421 1.00 0.00 O ATOM 5 CB LYS A 1 -7.751 14.029 -3.840 1.00 0.00 C ATOM 6 CG LYS A 1 -9.248 14.395 -4.002 1.00 0.00 C ATOM 7 CD LYS A 1 -9.443 15.472 -5.102 1.00 0.00 C ATOM 8 CE LYS A 1 -10.935 15.834 -5.191 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.731 14.638 -5.593 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.900 12.714 -6.030 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.480 11.887 -6.458 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.149 11.680 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.177 14.317 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.639 13.272 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.191 14.905 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.818 13.502 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.640 14.763 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.854 16.359 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.089 15.097 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.285 16.206 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.080 16.636 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.655 14.943 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.221 14.114 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.872 14.021 -4.767 1.00 0.00 H new ATOM 25 N THR A 2 -5.646 11.903 -4.247 1.00 0.00 N ATOM 26 CA THR A 2 -4.327 11.264 -3.937 1.00 0.00 C ATOM 27 C THR A 2 -4.264 9.935 -4.701 1.00 0.00 C ATOM 28 O THR A 2 -5.144 9.640 -5.486 1.00 0.00 O ATOM 29 CB THR A 2 -4.222 11.016 -2.412 1.00 0.00 C ATOM 30 OG1 THR A 2 -5.365 10.242 -2.073 1.00 0.00 O ATOM 31 CG2 THR A 2 -4.365 12.336 -1.634 1.00 0.00 C ATOM 0 H THR A 2 -6.451 11.410 -3.860 1.00 0.00 H new ATOM 0 HA THR A 2 -3.500 11.907 -4.237 1.00 0.00 H new ATOM 0 HB THR A 2 -3.267 10.547 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.631 10.438 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.288 12.138 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.573 13.023 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.335 12.783 -1.851 1.00 0.00 H new ATOM 39 N TYR A 3 -3.228 9.174 -4.450 1.00 0.00 N ATOM 40 CA TYR A 3 -3.063 7.861 -5.136 1.00 0.00 C ATOM 41 C TYR A 3 -3.184 6.731 -4.120 1.00 0.00 C ATOM 42 O TYR A 3 -2.213 6.292 -3.528 1.00 0.00 O ATOM 43 CB TYR A 3 -1.675 7.826 -5.838 1.00 0.00 C ATOM 44 CG TYR A 3 -1.639 8.841 -6.997 1.00 0.00 C ATOM 45 CD1 TYR A 3 -1.738 10.192 -6.743 1.00 0.00 C ATOM 46 CD2 TYR A 3 -1.503 8.423 -8.308 1.00 0.00 C ATOM 47 CE1 TYR A 3 -1.705 11.114 -7.763 1.00 0.00 C ATOM 48 CE2 TYR A 3 -1.470 9.348 -9.332 1.00 0.00 C ATOM 49 CZ TYR A 3 -1.570 10.698 -9.067 1.00 0.00 C ATOM 50 OH TYR A 3 -1.534 11.617 -10.096 1.00 0.00 O ATOM 0 H TYR A 3 -2.485 9.411 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.843 7.731 -5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.889 8.057 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.476 6.823 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.843 10.533 -5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.422 7.369 -8.531 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.785 12.168 -7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.365 9.011 -10.353 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.433 11.148 -10.950 1.00 0.00 H new ATOM 60 N GLN A 4 -4.410 6.300 -3.949 1.00 0.00 N ATOM 61 CA GLN A 4 -4.692 5.191 -2.991 1.00 0.00 C ATOM 62 C GLN A 4 -4.037 3.920 -3.545 1.00 0.00 C ATOM 63 O GLN A 4 -3.630 3.910 -4.691 1.00 0.00 O ATOM 64 CB GLN A 4 -6.220 4.987 -2.873 1.00 0.00 C ATOM 65 CG GLN A 4 -6.883 6.135 -2.075 1.00 0.00 C ATOM 66 CD GLN A 4 -6.571 6.015 -0.574 1.00 0.00 C ATOM 67 OE1 GLN A 4 -6.240 6.982 0.082 1.00 0.00 O ATOM 68 NE2 GLN A 4 -6.671 4.851 0.013 1.00 0.00 N ATOM 0 H GLN A 4 -5.228 6.670 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.295 5.423 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.659 4.933 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.425 4.035 -2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.527 7.095 -2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.962 6.114 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.948 4.030 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.472 4.764 1.010 1.00 0.00 H new ATOM 77 N CYS A 5 -3.945 2.877 -2.754 1.00 0.00 N ATOM 78 CA CYS A 5 -3.306 1.649 -3.306 1.00 0.00 C ATOM 79 C CYS A 5 -4.324 0.790 -4.052 1.00 0.00 C ATOM 80 O CYS A 5 -5.505 0.809 -3.764 1.00 0.00 O ATOM 81 CB CYS A 5 -2.698 0.879 -2.150 1.00 0.00 C ATOM 82 SG CYS A 5 -1.719 -0.575 -2.585 1.00 0.00 S ATOM 0 H CYS A 5 -4.271 2.824 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.533 1.924 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.065 1.560 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.504 0.563 -1.487 1.00 0.00 H new ATOM 87 N GLN A 6 -3.799 0.053 -4.999 1.00 0.00 N ATOM 88 CA GLN A 6 -4.644 -0.855 -5.842 1.00 0.00 C ATOM 89 C GLN A 6 -4.486 -2.309 -5.342 1.00 0.00 C ATOM 90 O GLN A 6 -4.628 -3.264 -6.083 1.00 0.00 O ATOM 91 CB GLN A 6 -4.156 -0.665 -7.300 1.00 0.00 C ATOM 92 CG GLN A 6 -5.103 -1.316 -8.335 1.00 0.00 C ATOM 93 CD GLN A 6 -4.551 -1.023 -9.739 1.00 0.00 C ATOM 94 OE1 GLN A 6 -4.477 0.111 -10.170 1.00 0.00 O ATOM 95 NE2 GLN A 6 -4.150 -2.015 -10.487 1.00 0.00 N ATOM 0 H GLN A 6 -2.805 0.041 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.708 -0.624 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.068 0.400 -7.514 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.160 -1.095 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.167 -2.391 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.112 -0.916 -8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.206 -2.972 -10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.780 -1.833 -11.420 1.00 0.00 H new ATOM 104 N TYR A 7 -4.191 -2.414 -4.069 1.00 0.00 N ATOM 105 CA TYR A 7 -4.000 -3.733 -3.388 1.00 0.00 C ATOM 106 C TYR A 7 -4.591 -3.648 -1.979 1.00 0.00 C ATOM 107 O TYR A 7 -5.340 -4.510 -1.565 1.00 0.00 O ATOM 108 CB TYR A 7 -2.492 -4.057 -3.324 1.00 0.00 C ATOM 109 CG TYR A 7 -2.002 -4.336 -4.753 1.00 0.00 C ATOM 110 CD1 TYR A 7 -2.416 -5.470 -5.424 1.00 0.00 C ATOM 111 CD2 TYR A 7 -1.151 -3.456 -5.388 1.00 0.00 C ATOM 112 CE1 TYR A 7 -1.987 -5.717 -6.709 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.724 -3.707 -6.675 1.00 0.00 C ATOM 114 CZ TYR A 7 -1.138 -4.838 -7.345 1.00 0.00 C ATOM 115 OH TYR A 7 -0.709 -5.084 -8.633 1.00 0.00 O ATOM 0 H TYR A 7 -4.071 -1.610 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.505 -4.525 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.942 -3.223 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.316 -4.923 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.081 -6.168 -4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.817 -2.566 -4.875 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.319 -6.607 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.058 -3.010 -7.163 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.117 -4.360 -8.924 1.00 0.00 H new ATOM 125 N CYS A 8 -4.218 -2.592 -1.295 1.00 0.00 N ATOM 126 CA CYS A 8 -4.702 -2.350 0.101 1.00 0.00 C ATOM 127 C CYS A 8 -5.465 -1.019 0.129 1.00 0.00 C ATOM 128 O CYS A 8 -5.908 -0.536 -0.896 1.00 0.00 O ATOM 129 CB CYS A 8 -3.502 -2.277 1.053 1.00 0.00 C ATOM 130 SG CYS A 8 -2.558 -0.733 1.052 1.00 0.00 S ATOM 0 H CYS A 8 -3.587 -1.875 -1.653 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.358 -3.162 0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.860 -2.456 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.822 -3.092 0.806 1.00 0.00 H new ATOM 135 N GLU A 9 -5.587 -0.478 1.315 1.00 0.00 N ATOM 136 CA GLU A 9 -6.303 0.817 1.518 1.00 0.00 C ATOM 137 C GLU A 9 -5.303 1.879 2.025 1.00 0.00 C ATOM 138 O GLU A 9 -5.490 2.484 3.064 1.00 0.00 O ATOM 139 CB GLU A 9 -7.438 0.558 2.537 1.00 0.00 C ATOM 140 CG GLU A 9 -8.376 1.794 2.652 1.00 0.00 C ATOM 141 CD GLU A 9 -9.490 1.502 3.678 1.00 0.00 C ATOM 142 OE1 GLU A 9 -9.140 1.342 4.839 1.00 0.00 O ATOM 143 OE2 GLU A 9 -10.630 1.455 3.245 1.00 0.00 O ATOM 0 H GLU A 9 -5.212 -0.890 2.169 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.732 1.195 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.015 -0.314 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.010 0.329 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.805 2.670 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.813 2.024 1.680 1.00 0.00 H new HETATM 150 N ALC A 10 -4.255 2.075 1.263 1.00 0.00 N HETATM 151 CA ALC A 10 -3.214 3.087 1.648 1.00 0.00 C HETATM 152 C ALC A 10 -3.383 4.350 0.806 1.00 0.00 C HETATM 153 O ALC A 10 -4.081 4.328 -0.183 1.00 0.00 O HETATM 154 CB ALC A 10 -1.833 2.510 1.337 1.00 0.00 C HETATM 155 CG ALC A 10 -0.737 3.256 2.165 1.00 0.00 C HETATM 156 CD2 ALC A 10 -0.131 2.323 3.251 1.00 0.00 C HETATM 157 CE2 ALC A 10 1.222 2.868 3.817 1.00 0.00 C HETATM 158 CZ ALC A 10 1.448 4.349 3.427 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.532 4.476 1.889 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.358 3.749 1.175 1.00 0.00 C HETATM 0 HE23 ALC A 10 2.045 2.262 3.439 1.00 0.00 H new HETATM 0 HE22 ALC A 10 1.228 2.772 4.903 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.479 4.061 1.543 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.526 5.530 1.612 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.029 1.332 2.827 1.00 0.00 H new HETATM 0 HD22 ALC A 10 -0.844 2.209 4.068 1.00 0.00 H new HETATM 0 HD13 ALC A 10 0.749 2.897 0.619 1.00 0.00 H new HETATM 0 HD12 ALC A 10 -0.093 4.424 0.448 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 2.366 4.719 3.883 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 0.633 4.964 3.808 1.00 0.00 H new HETATM 0 HG ALC A 10 -1.175 4.106 2.687 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.814 1.446 1.571 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.622 2.606 0.272 1.00 0.00 H new HETATM 0 HA ALC A 10 -3.318 3.322 2.707 1.00 0.00 H new ATOM 176 N ARG A 11 -2.736 5.402 1.239 1.00 0.00 N ATOM 177 CA ARG A 11 -2.784 6.724 0.542 1.00 0.00 C ATOM 178 C ARG A 11 -1.328 7.093 0.208 1.00 0.00 C ATOM 179 O ARG A 11 -0.456 6.840 1.019 1.00 0.00 O ATOM 180 CB ARG A 11 -3.395 7.738 1.506 1.00 0.00 C ATOM 181 CG ARG A 11 -3.665 9.083 0.802 1.00 0.00 C ATOM 182 CD ARG A 11 -3.946 10.161 1.865 1.00 0.00 C ATOM 183 NE ARG A 11 -5.052 9.684 2.750 1.00 0.00 N ATOM 184 CZ ARG A 11 -6.135 10.395 2.892 1.00 0.00 C ATOM 185 NH1 ARG A 11 -6.935 10.547 1.873 1.00 0.00 N ATOM 186 NH2 ARG A 11 -6.385 10.933 4.054 1.00 0.00 N ATOM 0 H ARG A 11 -2.155 5.398 2.078 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.382 6.703 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.327 7.343 1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.722 7.894 2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.806 9.369 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.516 8.990 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.049 10.355 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.223 11.100 1.387 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.959 8.797 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.710 10.112 0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.786 11.101 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.738 10.794 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.227 11.493 4.186 1.00 0.00 H new ATOM 200 N SER A 12 -1.095 7.673 -0.947 1.00 0.00 N ATOM 201 CA SER A 12 0.309 8.057 -1.322 1.00 0.00 C ATOM 202 C SER A 12 0.469 9.566 -1.564 1.00 0.00 C ATOM 203 O SER A 12 1.277 10.176 -0.890 1.00 0.00 O ATOM 204 CB SER A 12 0.697 7.285 -2.578 1.00 0.00 C ATOM 205 OG SER A 12 0.408 5.939 -2.240 1.00 0.00 O ATOM 0 H SER A 12 -1.808 7.896 -1.642 1.00 0.00 H new ATOM 0 HA SER A 12 0.965 7.806 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.123 7.614 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.750 7.420 -2.823 1.00 0.00 H new ATOM 0 HG SER A 12 1.097 5.600 -1.631 1.00 0.00 H new ATOM 211 N ALA A 13 -0.298 10.086 -2.501 1.00 0.00 N ATOM 212 CA ALA A 13 -0.324 11.541 -2.924 1.00 0.00 C ATOM 213 C ALA A 13 0.023 11.650 -4.409 1.00 0.00 C ATOM 214 O ALA A 13 -0.629 12.379 -5.130 1.00 0.00 O ATOM 215 CB ALA A 13 0.699 12.426 -2.159 1.00 0.00 C ATOM 0 H ALA A 13 -0.958 9.517 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.330 11.897 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.626 13.455 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.482 12.392 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.708 12.052 -2.336 1.00 0.00 H new ATOM 221 N ASP A 14 1.046 10.937 -4.815 1.00 0.00 N ATOM 222 CA ASP A 14 1.483 10.949 -6.249 1.00 0.00 C ATOM 223 C ASP A 14 1.700 9.493 -6.698 1.00 0.00 C ATOM 224 O ASP A 14 1.990 8.629 -5.891 1.00 0.00 O ATOM 225 CB ASP A 14 2.797 11.757 -6.367 1.00 0.00 C ATOM 226 CG ASP A 14 3.168 12.008 -7.849 1.00 0.00 C ATOM 227 OD1 ASP A 14 3.537 11.049 -8.507 1.00 0.00 O ATOM 228 OD2 ASP A 14 3.058 13.156 -8.246 1.00 0.00 O ATOM 0 H ASP A 14 1.605 10.339 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 14 0.729 11.415 -6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.689 12.710 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.605 11.217 -5.873 1.00 0.00 H new ATOM 233 N SER A 15 1.557 9.258 -7.977 1.00 0.00 N ATOM 234 CA SER A 15 1.749 7.881 -8.532 1.00 0.00 C ATOM 235 C SER A 15 3.125 7.351 -8.127 1.00 0.00 C ATOM 236 O SER A 15 3.252 6.283 -7.566 1.00 0.00 O ATOM 237 CB SER A 15 1.634 7.932 -10.076 1.00 0.00 C ATOM 238 OG SER A 15 2.622 8.869 -10.496 1.00 0.00 O ATOM 0 H SER A 15 1.313 9.967 -8.668 1.00 0.00 H new ATOM 0 HA SER A 15 0.983 7.215 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.810 6.951 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.637 8.246 -10.386 1.00 0.00 H new ATOM 0 HG SER A 15 3.416 8.388 -10.811 1.00 0.00 H new ATOM 244 N SER A 16 4.100 8.155 -8.447 1.00 0.00 N ATOM 245 CA SER A 16 5.538 7.885 -8.169 1.00 0.00 C ATOM 246 C SER A 16 5.747 7.253 -6.783 1.00 0.00 C ATOM 247 O SER A 16 6.481 6.297 -6.628 1.00 0.00 O ATOM 248 CB SER A 16 6.285 9.230 -8.298 1.00 0.00 C ATOM 249 OG SER A 16 5.904 9.740 -9.574 1.00 0.00 O ATOM 0 H SER A 16 3.944 9.045 -8.920 1.00 0.00 H new ATOM 0 HA SER A 16 5.929 7.160 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.005 9.916 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.364 9.090 -8.234 1.00 0.00 H new ATOM 0 HG SER A 16 5.172 10.382 -9.464 1.00 0.00 H new ATOM 255 N ASN A 17 5.067 7.815 -5.815 1.00 0.00 N ATOM 256 CA ASN A 17 5.170 7.314 -4.411 1.00 0.00 C ATOM 257 C ASN A 17 4.288 6.082 -4.174 1.00 0.00 C ATOM 258 O ASN A 17 4.738 5.139 -3.553 1.00 0.00 O ATOM 259 CB ASN A 17 4.756 8.442 -3.451 1.00 0.00 C ATOM 260 CG ASN A 17 5.725 9.622 -3.624 1.00 0.00 C ATOM 261 OD1 ASN A 17 6.916 9.502 -3.409 1.00 0.00 O ATOM 262 ND2 ASN A 17 5.261 10.776 -4.012 1.00 0.00 N ATOM 0 H ASN A 17 4.438 8.608 -5.940 1.00 0.00 H new ATOM 0 HA ASN A 17 6.202 7.014 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.734 8.759 -3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.775 8.086 -2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.895 11.566 -4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.264 10.889 -4.196 1.00 0.00 H new ATOM 269 N LEU A 18 3.067 6.092 -4.658 1.00 0.00 N ATOM 270 CA LEU A 18 2.182 4.900 -4.446 1.00 0.00 C ATOM 271 C LEU A 18 2.889 3.657 -4.979 1.00 0.00 C ATOM 272 O LEU A 18 2.911 2.620 -4.345 1.00 0.00 O ATOM 273 CB LEU A 18 0.814 5.144 -5.182 1.00 0.00 C ATOM 274 CG LEU A 18 -0.113 3.870 -5.143 1.00 0.00 C ATOM 275 CD1 LEU A 18 0.195 2.934 -6.298 1.00 0.00 C ATOM 276 CD2 LEU A 18 -0.119 3.191 -3.741 1.00 0.00 C ATOM 0 H LEU A 18 2.650 6.861 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 18 1.979 4.750 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.297 5.983 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.005 5.422 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.144 4.190 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.459 2.064 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.032 3.455 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.234 2.611 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.771 2.318 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.894 2.881 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.484 3.898 -2.996 1.00 0.00 H new ATOM 288 N LYS A 19 3.457 3.788 -6.146 1.00 0.00 N ATOM 289 CA LYS A 19 4.172 2.626 -6.745 1.00 0.00 C ATOM 290 C LYS A 19 5.229 2.182 -5.731 1.00 0.00 C ATOM 291 O LYS A 19 5.256 1.021 -5.382 1.00 0.00 O ATOM 292 CB LYS A 19 4.800 3.073 -8.075 1.00 0.00 C ATOM 293 CG LYS A 19 5.287 1.818 -8.826 1.00 0.00 C ATOM 294 CD LYS A 19 5.739 2.217 -10.246 1.00 0.00 C ATOM 295 CE LYS A 19 6.144 0.958 -11.033 1.00 0.00 C ATOM 296 NZ LYS A 19 7.309 0.280 -10.392 1.00 0.00 N ATOM 0 H LYS A 19 3.458 4.640 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 19 3.508 1.789 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.070 3.616 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.632 3.753 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.113 1.354 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.487 1.079 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.932 2.737 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.579 2.909 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.301 0.269 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.396 1.230 -12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.712 -0.415 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.032 0.987 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.996 -0.205 -9.527 1.00 0.00 H new ATOM 310 N THR A 20 6.066 3.093 -5.285 1.00 0.00 N ATOM 311 CA THR A 20 7.120 2.729 -4.278 1.00 0.00 C ATOM 312 C THR A 20 6.473 1.881 -3.162 1.00 0.00 C ATOM 313 O THR A 20 6.928 0.791 -2.875 1.00 0.00 O ATOM 314 CB THR A 20 7.727 4.001 -3.651 1.00 0.00 C ATOM 315 OG1 THR A 20 8.159 4.772 -4.764 1.00 0.00 O ATOM 316 CG2 THR A 20 9.025 3.668 -2.877 1.00 0.00 C ATOM 0 H THR A 20 6.065 4.071 -5.574 1.00 0.00 H new ATOM 0 HA THR A 20 7.910 2.167 -4.777 1.00 0.00 H new ATOM 0 HB THR A 20 7.006 4.479 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.407 5.296 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.435 4.581 -2.444 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.802 2.957 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.754 3.232 -3.560 1.00 0.00 H new ATOM 324 N HIS A 21 5.432 2.432 -2.574 1.00 0.00 N ATOM 325 CA HIS A 21 4.691 1.730 -1.477 1.00 0.00 C ATOM 326 C HIS A 21 4.403 0.272 -1.866 1.00 0.00 C ATOM 327 O HIS A 21 4.761 -0.632 -1.144 1.00 0.00 O ATOM 328 CB HIS A 21 3.360 2.487 -1.194 1.00 0.00 C ATOM 329 CG HIS A 21 2.375 1.530 -0.509 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.430 1.118 0.716 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.261 0.903 -1.032 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.444 0.306 0.945 1.00 0.00 C ATOM 333 NE2 HIS A 21 0.697 0.147 -0.120 1.00 0.00 N ATOM 0 H HIS A 21 5.062 3.352 -2.813 1.00 0.00 H new ATOM 0 HA HIS A 21 5.305 1.724 -0.576 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.547 3.352 -0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.935 2.861 -2.125 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.139 1.390 1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.906 1.018 -2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.262 -0.178 1.893 1.00 0.00 H new ATOM 341 N ILE A 22 3.764 0.088 -2.991 1.00 0.00 N ATOM 342 CA ILE A 22 3.435 -1.295 -3.457 1.00 0.00 C ATOM 343 C ILE A 22 4.719 -2.128 -3.632 1.00 0.00 C ATOM 344 O ILE A 22 4.746 -3.301 -3.327 1.00 0.00 O ATOM 345 CB ILE A 22 2.641 -1.160 -4.789 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.295 -0.447 -4.434 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.356 -2.560 -5.378 1.00 0.00 C ATOM 348 CD1 ILE A 22 0.429 -0.169 -5.674 1.00 0.00 C ATOM 0 H ILE A 22 3.454 0.837 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 22 2.827 -1.821 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 22 3.206 -0.593 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.733 -1.066 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.509 0.494 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.800 -2.456 -6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.299 -3.072 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.768 -3.141 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.493 0.327 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.976 0.474 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.189 -1.110 -6.168 1.00 0.00 H new ATOM 360 N LYS A 23 5.746 -1.487 -4.121 1.00 0.00 N ATOM 361 CA LYS A 23 7.059 -2.163 -4.345 1.00 0.00 C ATOM 362 C LYS A 23 7.878 -2.294 -3.027 1.00 0.00 C ATOM 363 O LYS A 23 9.008 -2.745 -3.046 1.00 0.00 O ATOM 364 CB LYS A 23 7.782 -1.319 -5.429 1.00 0.00 C ATOM 365 CG LYS A 23 9.073 -2.011 -5.926 1.00 0.00 C ATOM 366 CD LYS A 23 9.587 -1.392 -7.261 1.00 0.00 C ATOM 367 CE LYS A 23 10.000 0.095 -7.130 1.00 0.00 C ATOM 368 NZ LYS A 23 8.810 0.990 -7.024 1.00 0.00 N ATOM 0 H LYS A 23 5.730 -0.501 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 23 6.932 -3.192 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.110 -1.155 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.028 -0.338 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.848 -1.925 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.883 -3.075 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.441 -1.969 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.807 -1.480 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.630 0.222 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.598 0.384 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.931 1.805 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.955 0.464 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.714 1.325 -6.044 1.00 0.00 H new ATOM 382 N THR A 24 7.281 -1.900 -1.923 1.00 0.00 N ATOM 383 CA THR A 24 7.948 -1.973 -0.573 1.00 0.00 C ATOM 384 C THR A 24 7.184 -2.858 0.441 1.00 0.00 C ATOM 385 O THR A 24 7.790 -3.634 1.153 1.00 0.00 O ATOM 386 CB THR A 24 8.076 -0.543 -0.023 1.00 0.00 C ATOM 387 OG1 THR A 24 8.925 0.086 -0.970 1.00 0.00 O ATOM 388 CG2 THR A 24 8.882 -0.483 1.291 1.00 0.00 C ATOM 0 H THR A 24 6.334 -1.521 -1.899 1.00 0.00 H new ATOM 0 HA THR A 24 8.924 -2.439 -0.707 1.00 0.00 H new ATOM 0 HB THR A 24 7.087 -0.116 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.393 0.390 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.941 0.550 1.635 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.387 -1.090 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.888 -0.866 1.119 1.00 0.00 H new ATOM 396 N LYS A 25 5.882 -2.709 0.472 1.00 0.00 N ATOM 397 CA LYS A 25 5.002 -3.489 1.407 1.00 0.00 C ATOM 398 C LYS A 25 4.243 -4.673 0.787 1.00 0.00 C ATOM 399 O LYS A 25 3.915 -5.596 1.506 1.00 0.00 O ATOM 400 CB LYS A 25 3.951 -2.548 2.034 1.00 0.00 C ATOM 401 CG LYS A 25 4.589 -1.482 2.953 1.00 0.00 C ATOM 402 CD LYS A 25 5.275 -2.164 4.163 1.00 0.00 C ATOM 403 CE LYS A 25 5.693 -1.111 5.204 1.00 0.00 C ATOM 404 NZ LYS A 25 4.487 -0.439 5.767 1.00 0.00 N ATOM 0 H LYS A 25 5.375 -2.060 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 25 5.694 -3.910 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.392 -2.052 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.236 -3.137 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.319 -0.898 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.825 -0.787 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.594 -2.884 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.150 -2.721 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.261 -1.585 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.348 -0.372 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.721 -0.024 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.174 0.312 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.724 -1.136 5.883 1.00 0.00 H new ATOM 418 N HIS A 26 3.979 -4.640 -0.495 1.00 0.00 N ATOM 419 CA HIS A 26 3.231 -5.777 -1.132 1.00 0.00 C ATOM 420 C HIS A 26 4.140 -6.738 -1.878 1.00 0.00 C ATOM 421 O HIS A 26 4.147 -7.927 -1.624 1.00 0.00 O ATOM 422 CB HIS A 26 2.183 -5.189 -2.097 1.00 0.00 C ATOM 423 CG HIS A 26 1.131 -4.428 -1.293 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.428 -4.916 -0.317 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.707 -3.121 -1.403 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.368 -4.003 0.149 1.00 0.00 C ATOM 427 NE2 HIS A 26 -0.216 -2.878 -0.504 1.00 0.00 N ATOM 0 H HIS A 26 4.244 -3.884 -1.127 1.00 0.00 H new ATOM 0 HA HIS A 26 2.755 -6.355 -0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.664 -4.522 -2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.712 -5.987 -2.671 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.492 -5.873 0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.079 -2.405 -2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.061 -4.151 0.964 1.00 0.00 H new ATOM 435 N SER A 27 4.878 -6.169 -2.780 1.00 0.00 N ATOM 436 CA SER A 27 5.833 -6.919 -3.624 1.00 0.00 C ATOM 437 C SER A 27 7.132 -6.153 -3.556 1.00 0.00 C ATOM 438 O SER A 27 7.138 -4.995 -3.190 1.00 0.00 O ATOM 439 CB SER A 27 5.283 -6.974 -5.060 1.00 0.00 C ATOM 440 OG SER A 27 5.001 -5.625 -5.413 1.00 0.00 O ATOM 0 H SER A 27 4.855 -5.168 -2.973 1.00 0.00 H new ATOM 0 HA SER A 27 5.983 -7.946 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.011 -7.414 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.385 -7.589 -5.113 1.00 0.00 H new ATOM 0 HG SER A 27 4.646 -5.593 -6.326 1.00 0.00 H new ATOM 446 N LYS A 28 8.235 -6.751 -3.891 1.00 0.00 N ATOM 447 CA LYS A 28 8.357 -8.174 -4.351 1.00 0.00 C ATOM 448 C LYS A 28 9.308 -8.905 -3.401 1.00 0.00 C ATOM 449 O LYS A 28 8.891 -9.733 -2.615 1.00 0.00 O ATOM 450 CB LYS A 28 8.892 -8.163 -5.805 1.00 0.00 C ATOM 451 CG LYS A 28 9.092 -9.619 -6.303 1.00 0.00 C ATOM 452 CD LYS A 28 9.471 -9.683 -7.808 1.00 0.00 C ATOM 453 CE LYS A 28 10.750 -8.870 -8.122 1.00 0.00 C ATOM 454 NZ LYS A 28 10.441 -7.414 -8.173 1.00 0.00 N ATOM 0 H LYS A 28 9.135 -6.273 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 28 7.398 -8.692 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.192 -7.639 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.836 -7.620 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.874 -10.098 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.176 -10.186 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.622 -10.722 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.644 -9.301 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.506 -9.061 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.169 -9.193 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.843 -7.004 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.410 -7.278 -8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.854 -6.942 -7.343 1.00 0.00 H new ATOM 468 N GLU A 29 10.560 -8.558 -3.517 1.00 0.00 N ATOM 469 CA GLU A 29 11.626 -9.165 -2.667 1.00 0.00 C ATOM 470 C GLU A 29 12.474 -8.048 -2.044 1.00 0.00 C ATOM 471 O GLU A 29 12.683 -8.039 -0.846 1.00 0.00 O ATOM 472 CB GLU A 29 12.492 -10.090 -3.545 1.00 0.00 C ATOM 473 CG GLU A 29 13.534 -10.797 -2.648 1.00 0.00 C ATOM 474 CD GLU A 29 14.362 -11.788 -3.484 1.00 0.00 C ATOM 475 OE1 GLU A 29 15.061 -11.312 -4.364 1.00 0.00 O ATOM 476 OE2 GLU A 29 14.247 -12.970 -3.195 1.00 0.00 O ATOM 0 H GLU A 29 10.898 -7.862 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 29 11.186 -9.753 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.866 -10.827 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.993 -9.512 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.191 -10.059 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.030 -11.324 -1.838 1.00 0.00 H new ATOM 483 N LYS A 30 12.935 -7.146 -2.878 1.00 0.00 N ATOM 484 CA LYS A 30 13.775 -6.002 -2.400 1.00 0.00 C ATOM 485 C LYS A 30 13.055 -4.669 -2.644 1.00 0.00 C ATOM 486 O LYS A 30 12.036 -4.587 -3.301 1.00 0.00 O ATOM 487 CB LYS A 30 15.132 -6.012 -3.150 1.00 0.00 C ATOM 488 CG LYS A 30 14.935 -5.901 -4.685 1.00 0.00 C ATOM 489 CD LYS A 30 16.318 -5.736 -5.360 1.00 0.00 C ATOM 490 CE LYS A 30 16.138 -5.570 -6.884 1.00 0.00 C ATOM 491 NZ LYS A 30 17.469 -5.379 -7.530 1.00 0.00 N ATOM 0 H LYS A 30 12.762 -7.155 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 30 13.947 -6.111 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.748 -5.183 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.671 -6.930 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.434 -6.791 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.296 -5.050 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.833 -4.868 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.941 -6.605 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.644 -6.449 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.496 -4.715 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.344 -5.268 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.924 -4.528 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.068 -6.208 -7.342 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.888 -1.011 -0.494 1.00 0.00 ZN