USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=17 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 27 SER OG : rot -88:sc= 0.861 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 170:sc= -0.0106 (180deg=-0.186) USER MOD Set 2.1: A 12 SER OG : rot -110:sc= 0.417 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.28 K(o=0.7,f=-0.72) USER MOD Set 3.1: A 6 GLN :FLIP amide:sc= 0.346 F(o=-0.54,f=0.76) USER MOD Set 3.2: A 7 TYR OH : rot 79:sc= 0.417 USER MOD Set 4.1: A 1 LYS N :NH3+ -145:sc= -1.64! (180deg=-4.44!) USER MOD Set 4.2: A 1 LYS NZ :NH3+ 141:sc= 0.874 (180deg=-0.894) USER MOD Set 4.3: A 3 TYR OH : rot 30:sc= 0.315 USER MOD Single : A 2 THR OG1 : rot 65:sc= 0.138 USER MOD Single : A 4 GLN : amide:sc= -3.76 K(o=-3.8,f=-9.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 16 SER OG : rot 91:sc= 0.722 USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= -0.0122 (180deg=-0.533) USER MOD Single : A 20 THR OG1 : rot 85:sc= 0.302 USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= -0.354 (180deg=-0.367) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0469 (180deg=-0.413) USER MOD Single : A 30 LYS NZ :NH3+ -131:sc= -1.56 (180deg=-4.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.997 15.051 -5.694 1.00 0.00 N ATOM 2 CA LYS A 1 -4.732 14.221 -4.485 1.00 0.00 C ATOM 3 C LYS A 1 -6.069 13.839 -3.817 1.00 0.00 C ATOM 4 O LYS A 1 -7.023 14.580 -3.940 1.00 0.00 O ATOM 5 CB LYS A 1 -3.859 15.010 -3.474 1.00 0.00 C ATOM 6 CG LYS A 1 -2.410 15.186 -3.998 1.00 0.00 C ATOM 7 CD LYS A 1 -2.287 16.287 -5.099 1.00 0.00 C ATOM 8 CE LYS A 1 -0.844 16.300 -5.619 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.645 15.201 -6.607 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.293 14.831 -6.427 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.950 14.844 -6.055 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.933 16.059 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.200 13.319 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.304 15.988 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -3.841 14.486 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.756 15.440 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.058 14.236 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -2.981 16.085 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.550 17.262 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.626 17.261 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.149 16.183 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.040 15.537 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.189 14.392 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.566 14.906 -6.989 1.00 0.00 H new ATOM 25 N THR A 2 -6.174 12.730 -3.122 1.00 0.00 N ATOM 26 CA THR A 2 -5.066 11.741 -2.897 1.00 0.00 C ATOM 27 C THR A 2 -5.248 10.550 -3.842 1.00 0.00 C ATOM 28 O THR A 2 -6.235 10.452 -4.548 1.00 0.00 O ATOM 29 CB THR A 2 -5.114 11.278 -1.403 1.00 0.00 C ATOM 30 OG1 THR A 2 -4.334 10.100 -1.255 1.00 0.00 O ATOM 31 CG2 THR A 2 -6.519 10.838 -0.954 1.00 0.00 C ATOM 0 H THR A 2 -7.046 12.454 -2.671 1.00 0.00 H new ATOM 0 HA THR A 2 -4.096 12.195 -3.102 1.00 0.00 H new ATOM 0 HB THR A 2 -4.767 12.132 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.393 10.306 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.487 10.528 0.091 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.214 11.671 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.853 10.003 -1.570 1.00 0.00 H new ATOM 39 N TYR A 3 -4.268 9.690 -3.809 1.00 0.00 N ATOM 40 CA TYR A 3 -4.282 8.461 -4.668 1.00 0.00 C ATOM 41 C TYR A 3 -4.272 7.276 -3.711 1.00 0.00 C ATOM 42 O TYR A 3 -3.591 7.330 -2.706 1.00 0.00 O ATOM 43 CB TYR A 3 -3.030 8.513 -5.576 1.00 0.00 C ATOM 44 CG TYR A 3 -3.051 9.906 -6.231 1.00 0.00 C ATOM 45 CD1 TYR A 3 -3.872 10.165 -7.313 1.00 0.00 C ATOM 46 CD2 TYR A 3 -2.276 10.927 -5.720 1.00 0.00 C ATOM 47 CE1 TYR A 3 -3.917 11.426 -7.870 1.00 0.00 C ATOM 48 CE2 TYR A 3 -2.325 12.183 -6.282 1.00 0.00 C ATOM 49 CZ TYR A 3 -3.145 12.445 -7.356 1.00 0.00 C ATOM 50 OH TYR A 3 -3.193 13.714 -7.900 1.00 0.00 O ATOM 0 H TYR A 3 -3.444 9.784 -3.216 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.154 8.381 -5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.119 8.366 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.059 7.725 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.482 9.375 -7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.629 10.740 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.562 11.616 -8.715 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.712 12.973 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.084 13.876 -8.275 1.00 0.00 H new ATOM 60 N GLN A 4 -5.012 6.252 -4.058 1.00 0.00 N ATOM 61 CA GLN A 4 -5.098 5.031 -3.195 1.00 0.00 C ATOM 62 C GLN A 4 -4.429 3.817 -3.864 1.00 0.00 C ATOM 63 O GLN A 4 -4.504 3.670 -5.068 1.00 0.00 O ATOM 64 CB GLN A 4 -6.606 4.793 -2.946 1.00 0.00 C ATOM 65 CG GLN A 4 -6.930 4.003 -1.661 1.00 0.00 C ATOM 66 CD GLN A 4 -6.350 2.587 -1.671 1.00 0.00 C ATOM 67 OE1 GLN A 4 -5.311 2.325 -1.106 1.00 0.00 O ATOM 68 NE2 GLN A 4 -6.975 1.632 -2.296 1.00 0.00 N ATOM 0 H GLN A 4 -5.567 6.209 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.564 5.172 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.110 5.759 -2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.021 4.258 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.539 4.544 -0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.012 3.946 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.852 1.827 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.588 0.688 -2.303 1.00 0.00 H new ATOM 77 N CYS A 5 -3.796 2.987 -3.063 1.00 0.00 N ATOM 78 CA CYS A 5 -3.099 1.758 -3.561 1.00 0.00 C ATOM 79 C CYS A 5 -3.978 0.850 -4.449 1.00 0.00 C ATOM 80 O CYS A 5 -5.162 1.075 -4.614 1.00 0.00 O ATOM 81 CB CYS A 5 -2.611 0.984 -2.336 1.00 0.00 C ATOM 82 SG CYS A 5 -1.645 -0.510 -2.659 1.00 0.00 S ATOM 0 H CYS A 5 -3.734 3.118 -2.053 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.277 2.073 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.007 1.656 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.480 0.706 -1.739 1.00 0.00 H new ATOM 87 N GLN A 6 -3.340 -0.162 -4.980 1.00 0.00 N ATOM 88 CA GLN A 6 -4.009 -1.160 -5.874 1.00 0.00 C ATOM 89 C GLN A 6 -4.318 -2.456 -5.102 1.00 0.00 C ATOM 90 O GLN A 6 -5.268 -3.149 -5.418 1.00 0.00 O ATOM 91 CB GLN A 6 -3.064 -1.462 -7.058 1.00 0.00 C ATOM 92 CG GLN A 6 -3.732 -2.434 -8.060 1.00 0.00 C ATOM 93 CD GLN A 6 -2.715 -2.843 -9.134 1.00 0.00 C ATOM 94 OE1 GLN A 6 -2.401 -4.105 -9.252 1.00 0.00 O flip ATOM 95 NE2 GLN A 6 -2.199 -2.027 -9.869 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.348 -0.344 -4.826 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.952 -0.752 -6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.801 -0.534 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.136 -1.896 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.099 -3.317 -7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.595 -1.957 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.439 -1.039 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.525 -2.329 -10.573 1.00 0.00 H new ATOM 104 N TYR A 7 -3.506 -2.734 -4.114 1.00 0.00 N ATOM 105 CA TYR A 7 -3.679 -3.968 -3.281 1.00 0.00 C ATOM 106 C TYR A 7 -4.286 -3.710 -1.896 1.00 0.00 C ATOM 107 O TYR A 7 -5.154 -4.449 -1.473 1.00 0.00 O ATOM 108 CB TYR A 7 -2.302 -4.626 -3.128 1.00 0.00 C ATOM 109 CG TYR A 7 -1.732 -4.931 -4.522 1.00 0.00 C ATOM 110 CD1 TYR A 7 -2.338 -5.871 -5.334 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.613 -4.267 -4.987 1.00 0.00 C ATOM 112 CE1 TYR A 7 -1.833 -6.142 -6.588 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.110 -4.540 -6.242 1.00 0.00 C ATOM 114 CZ TYR A 7 -0.716 -5.478 -7.049 1.00 0.00 C ATOM 115 OH TYR A 7 -0.211 -5.749 -8.305 1.00 0.00 O ATOM 0 H TYR A 7 -2.716 -2.149 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.390 -4.615 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.628 -3.965 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.387 -5.545 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.214 -6.397 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.129 -3.530 -4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.315 -6.879 -7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.765 -4.015 -6.595 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.753 -5.291 -8.981 1.00 0.00 H new ATOM 125 N CYS A 8 -3.826 -2.681 -1.230 1.00 0.00 N ATOM 126 CA CYS A 8 -4.358 -2.353 0.135 1.00 0.00 C ATOM 127 C CYS A 8 -5.140 -1.035 0.113 1.00 0.00 C ATOM 128 O CYS A 8 -5.569 -0.585 -0.933 1.00 0.00 O ATOM 129 CB CYS A 8 -3.189 -2.228 1.110 1.00 0.00 C ATOM 130 SG CYS A 8 -2.263 -0.676 1.047 1.00 0.00 S ATOM 0 H CYS A 8 -3.102 -2.049 -1.572 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.030 -3.151 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.571 -2.359 2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.496 -3.049 0.922 1.00 0.00 H new ATOM 135 N GLU A 9 -5.291 -0.471 1.287 1.00 0.00 N ATOM 136 CA GLU A 9 -6.026 0.816 1.449 1.00 0.00 C ATOM 137 C GLU A 9 -5.046 1.922 1.914 1.00 0.00 C ATOM 138 O GLU A 9 -5.258 2.562 2.926 1.00 0.00 O ATOM 139 CB GLU A 9 -7.155 0.590 2.484 1.00 0.00 C ATOM 140 CG GLU A 9 -8.127 1.800 2.470 1.00 0.00 C ATOM 141 CD GLU A 9 -9.198 1.639 3.566 1.00 0.00 C ATOM 142 OE1 GLU A 9 -8.798 1.610 4.719 1.00 0.00 O ATOM 143 OE2 GLU A 9 -10.356 1.552 3.188 1.00 0.00 O ATOM 0 H GLU A 9 -4.926 -0.860 2.157 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.462 1.140 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.697 -0.327 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.729 0.465 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.571 2.724 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.605 1.880 1.494 1.00 0.00 H new HETATM 150 N ALC A 10 -3.993 2.120 1.159 1.00 0.00 N HETATM 151 CA ALC A 10 -2.982 3.173 1.519 1.00 0.00 C HETATM 152 C ALC A 10 -3.213 4.437 0.686 1.00 0.00 C HETATM 153 O ALC A 10 -3.694 4.355 -0.424 1.00 0.00 O HETATM 154 CB ALC A 10 -1.584 2.684 1.132 1.00 0.00 C HETATM 155 CG ALC A 10 -0.501 3.565 1.841 1.00 0.00 C HETATM 156 CD2 ALC A 10 0.195 2.778 2.972 1.00 0.00 C HETATM 157 CE2 ALC A 10 1.259 3.674 3.650 1.00 0.00 C HETATM 158 CZ ALC A 10 2.305 4.149 2.607 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.610 4.913 1.455 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.550 4.012 0.792 1.00 0.00 C HETATM 0 HE23 ALC A 10 1.755 3.121 4.448 1.00 0.00 H new HETATM 0 HE22 ALC A 10 0.778 4.536 4.112 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.348 5.225 0.716 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.141 5.819 1.839 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.664 1.881 2.569 1.00 0.00 H new HETATM 0 HD22 ALC A 10 -0.541 2.450 3.707 1.00 0.00 H new HETATM 0 HD13 ALC A 10 1.029 3.138 0.351 1.00 0.00 H new HETATM 0 HD12 ALC A 10 0.060 4.550 -0.019 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 2.846 3.291 2.208 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 3.040 4.794 3.088 1.00 0.00 H new HETATM 0 HG ALC A 10 -0.986 4.436 2.281 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.461 1.640 1.419 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.457 2.735 0.051 1.00 0.00 H new HETATM 0 HA ALC A 10 -3.075 3.373 2.586 1.00 0.00 H new ATOM 176 N ARG A 11 -2.856 5.564 1.251 1.00 0.00 N ATOM 177 CA ARG A 11 -3.021 6.870 0.546 1.00 0.00 C ATOM 178 C ARG A 11 -1.654 7.550 0.380 1.00 0.00 C ATOM 179 O ARG A 11 -0.895 7.678 1.321 1.00 0.00 O ATOM 180 CB ARG A 11 -3.948 7.812 1.353 1.00 0.00 C ATOM 181 CG ARG A 11 -5.455 7.427 1.259 1.00 0.00 C ATOM 182 CD ARG A 11 -5.781 6.064 1.907 1.00 0.00 C ATOM 183 NE ARG A 11 -5.200 6.030 3.284 1.00 0.00 N ATOM 184 CZ ARG A 11 -5.977 5.883 4.323 1.00 0.00 C ATOM 185 NH1 ARG A 11 -6.287 4.677 4.709 1.00 0.00 N ATOM 186 NH2 ARG A 11 -6.420 6.945 4.938 1.00 0.00 N ATOM 0 H ARG A 11 -2.451 5.634 2.185 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.464 6.675 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.643 7.801 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.818 8.833 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.051 8.202 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.751 7.403 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.860 5.916 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.371 5.253 1.305 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.192 6.122 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.924 3.870 4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.893 4.540 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.158 7.873 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.028 6.847 5.751 1.00 0.00 H new ATOM 200 N SER A 12 -1.405 7.961 -0.837 1.00 0.00 N ATOM 201 CA SER A 12 -0.131 8.655 -1.214 1.00 0.00 C ATOM 202 C SER A 12 -0.475 9.989 -1.886 1.00 0.00 C ATOM 203 O SER A 12 -1.635 10.260 -2.128 1.00 0.00 O ATOM 204 CB SER A 12 0.666 7.778 -2.189 1.00 0.00 C ATOM 205 OG SER A 12 1.090 6.660 -1.422 1.00 0.00 O ATOM 0 H SER A 12 -2.055 7.840 -1.614 1.00 0.00 H new ATOM 0 HA SER A 12 0.471 8.833 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.050 7.466 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.518 8.320 -2.600 1.00 0.00 H new ATOM 0 HG SER A 12 2.059 6.707 -1.284 1.00 0.00 H new ATOM 211 N ALA A 13 0.540 10.763 -2.173 1.00 0.00 N ATOM 212 CA ALA A 13 0.341 12.095 -2.829 1.00 0.00 C ATOM 213 C ALA A 13 0.756 12.041 -4.305 1.00 0.00 C ATOM 214 O ALA A 13 0.474 12.957 -5.051 1.00 0.00 O ATOM 215 CB ALA A 13 1.183 13.141 -2.082 1.00 0.00 C ATOM 0 H ALA A 13 1.513 10.527 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.714 12.365 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.048 14.117 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.864 13.189 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.235 12.860 -2.126 1.00 0.00 H new ATOM 221 N ASP A 14 1.426 10.981 -4.688 1.00 0.00 N ATOM 222 CA ASP A 14 1.869 10.833 -6.111 1.00 0.00 C ATOM 223 C ASP A 14 1.690 9.361 -6.520 1.00 0.00 C ATOM 224 O ASP A 14 1.686 8.488 -5.675 1.00 0.00 O ATOM 225 CB ASP A 14 3.349 11.264 -6.198 1.00 0.00 C ATOM 226 CG ASP A 14 3.766 11.513 -7.664 1.00 0.00 C ATOM 227 OD1 ASP A 14 3.764 10.561 -8.426 1.00 0.00 O ATOM 228 OD2 ASP A 14 4.068 12.661 -7.945 1.00 0.00 O ATOM 0 H ASP A 14 1.686 10.209 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 14 1.282 11.455 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.503 12.171 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.983 10.492 -5.762 1.00 0.00 H new ATOM 233 N SER A 15 1.571 9.116 -7.803 1.00 0.00 N ATOM 234 CA SER A 15 1.394 7.711 -8.301 1.00 0.00 C ATOM 235 C SER A 15 2.776 7.090 -8.605 1.00 0.00 C ATOM 236 O SER A 15 2.916 6.147 -9.362 1.00 0.00 O ATOM 237 CB SER A 15 0.516 7.763 -9.567 1.00 0.00 C ATOM 238 OG SER A 15 1.229 8.611 -10.459 1.00 0.00 O ATOM 0 H SER A 15 1.589 9.830 -8.531 1.00 0.00 H new ATOM 0 HA SER A 15 0.909 7.089 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.373 6.770 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.475 8.161 -9.347 1.00 0.00 H new ATOM 0 HG SER A 15 0.731 8.695 -11.299 1.00 0.00 H new ATOM 244 N SER A 16 3.750 7.675 -7.961 1.00 0.00 N ATOM 245 CA SER A 16 5.186 7.276 -8.060 1.00 0.00 C ATOM 246 C SER A 16 5.523 6.889 -6.618 1.00 0.00 C ATOM 247 O SER A 16 6.232 5.940 -6.354 1.00 0.00 O ATOM 248 CB SER A 16 6.030 8.469 -8.521 1.00 0.00 C ATOM 249 OG SER A 16 5.472 8.801 -9.784 1.00 0.00 O ATOM 0 H SER A 16 3.596 8.463 -7.331 1.00 0.00 H new ATOM 0 HA SER A 16 5.378 6.476 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.963 9.302 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.085 8.206 -8.605 1.00 0.00 H new ATOM 0 HG SER A 16 4.763 9.466 -9.664 1.00 0.00 H new ATOM 255 N ASN A 17 4.991 7.658 -5.699 1.00 0.00 N ATOM 256 CA ASN A 17 5.233 7.382 -4.254 1.00 0.00 C ATOM 257 C ASN A 17 4.436 6.098 -3.992 1.00 0.00 C ATOM 258 O ASN A 17 4.946 5.151 -3.432 1.00 0.00 O ATOM 259 CB ASN A 17 4.702 8.565 -3.419 1.00 0.00 C ATOM 260 CG ASN A 17 4.779 8.203 -1.931 1.00 0.00 C ATOM 261 OD1 ASN A 17 3.952 7.470 -1.425 1.00 0.00 O ATOM 262 ND2 ASN A 17 5.749 8.689 -1.207 1.00 0.00 N ATOM 0 H ASN A 17 4.399 8.466 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 17 6.284 7.264 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.290 9.461 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.673 8.791 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.813 8.454 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.443 9.304 -1.631 1.00 0.00 H new ATOM 269 N LEU A 18 3.195 6.105 -4.409 1.00 0.00 N ATOM 270 CA LEU A 18 2.305 4.917 -4.232 1.00 0.00 C ATOM 271 C LEU A 18 2.990 3.683 -4.857 1.00 0.00 C ATOM 272 O LEU A 18 2.861 2.574 -4.377 1.00 0.00 O ATOM 273 CB LEU A 18 0.975 5.226 -4.930 1.00 0.00 C ATOM 274 CG LEU A 18 -0.115 4.170 -4.611 1.00 0.00 C ATOM 275 CD1 LEU A 18 -0.518 4.273 -3.116 1.00 0.00 C ATOM 276 CD2 LEU A 18 -1.331 4.476 -5.507 1.00 0.00 C ATOM 0 H LEU A 18 2.753 6.899 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 18 2.120 4.705 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.625 6.211 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.134 5.267 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 18 0.254 3.162 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.284 3.530 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.356 4.092 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.909 5.270 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.120 3.751 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.698 5.480 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.036 4.414 -6.554 1.00 0.00 H new ATOM 288 N LYS A 19 3.708 3.919 -5.928 1.00 0.00 N ATOM 289 CA LYS A 19 4.420 2.804 -6.620 1.00 0.00 C ATOM 290 C LYS A 19 5.467 2.277 -5.637 1.00 0.00 C ATOM 291 O LYS A 19 5.472 1.102 -5.330 1.00 0.00 O ATOM 292 CB LYS A 19 5.067 3.374 -7.895 1.00 0.00 C ATOM 293 CG LYS A 19 5.501 2.266 -8.876 1.00 0.00 C ATOM 294 CD LYS A 19 4.290 1.415 -9.372 1.00 0.00 C ATOM 295 CE LYS A 19 3.103 2.305 -9.832 1.00 0.00 C ATOM 296 NZ LYS A 19 3.545 3.362 -10.788 1.00 0.00 N ATOM 0 H LYS A 19 3.831 4.838 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 19 3.758 1.989 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.361 4.040 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.934 3.975 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.002 2.717 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.226 1.614 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.608 0.779 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.959 0.754 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.343 1.683 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.639 2.771 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.553 4.284 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.502 3.142 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.888 3.398 -11.594 1.00 0.00 H new ATOM 310 N THR A 20 6.326 3.164 -5.185 1.00 0.00 N ATOM 311 CA THR A 20 7.401 2.801 -4.204 1.00 0.00 C ATOM 312 C THR A 20 6.745 1.945 -3.106 1.00 0.00 C ATOM 313 O THR A 20 7.212 0.870 -2.783 1.00 0.00 O ATOM 314 CB THR A 20 7.988 4.105 -3.632 1.00 0.00 C ATOM 315 OG1 THR A 20 8.491 4.773 -4.780 1.00 0.00 O ATOM 316 CG2 THR A 20 9.234 3.838 -2.772 1.00 0.00 C ATOM 0 H THR A 20 6.326 4.146 -5.462 1.00 0.00 H new ATOM 0 HA THR A 20 8.212 2.234 -4.662 1.00 0.00 H new ATOM 0 HB THR A 20 7.239 4.631 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.770 5.284 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.619 4.782 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.968 3.187 -1.939 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.999 3.355 -3.380 1.00 0.00 H new ATOM 324 N HIS A 21 5.668 2.470 -2.566 1.00 0.00 N ATOM 325 CA HIS A 21 4.918 1.747 -1.497 1.00 0.00 C ATOM 326 C HIS A 21 4.692 0.287 -1.935 1.00 0.00 C ATOM 327 O HIS A 21 5.162 -0.605 -1.263 1.00 0.00 O ATOM 328 CB HIS A 21 3.582 2.493 -1.269 1.00 0.00 C ATOM 329 CG HIS A 21 2.559 1.552 -0.636 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.546 1.162 0.595 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.473 0.925 -1.214 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.545 0.363 0.784 1.00 0.00 C ATOM 333 NE2 HIS A 21 0.859 0.191 -0.314 1.00 0.00 N ATOM 0 H HIS A 21 5.277 3.376 -2.825 1.00 0.00 H new ATOM 0 HA HIS A 21 5.475 1.726 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.744 3.356 -0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.201 2.872 -2.217 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.220 1.440 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.174 1.023 -2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.307 -0.102 1.729 1.00 0.00 H new ATOM 341 N ILE A 22 3.993 0.081 -3.030 1.00 0.00 N ATOM 342 CA ILE A 22 3.730 -1.312 -3.527 1.00 0.00 C ATOM 343 C ILE A 22 5.014 -2.162 -3.534 1.00 0.00 C ATOM 344 O ILE A 22 5.077 -3.179 -2.874 1.00 0.00 O ATOM 345 CB ILE A 22 3.124 -1.215 -4.964 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.714 -0.557 -4.867 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.999 -2.638 -5.583 1.00 0.00 C ATOM 348 CD1 ILE A 22 1.168 -0.215 -6.270 1.00 0.00 C ATOM 0 H ILE A 22 3.591 0.822 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 22 3.028 -1.807 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 22 3.773 -0.612 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.026 -1.234 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.772 0.349 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.576 -2.563 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.985 -3.098 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.348 -3.250 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.183 0.243 -6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.846 0.481 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.089 -1.127 -6.862 1.00 0.00 H new ATOM 360 N LYS A 23 5.978 -1.696 -4.287 1.00 0.00 N ATOM 361 CA LYS A 23 7.310 -2.373 -4.432 1.00 0.00 C ATOM 362 C LYS A 23 7.825 -3.066 -3.152 1.00 0.00 C ATOM 363 O LYS A 23 8.319 -4.176 -3.209 1.00 0.00 O ATOM 364 CB LYS A 23 8.358 -1.321 -4.896 1.00 0.00 C ATOM 365 CG LYS A 23 8.010 -0.740 -6.291 1.00 0.00 C ATOM 366 CD LYS A 23 8.402 -1.745 -7.404 1.00 0.00 C ATOM 367 CE LYS A 23 7.999 -1.190 -8.783 1.00 0.00 C ATOM 368 NZ LYS A 23 6.515 -1.097 -8.887 1.00 0.00 N ATOM 0 H LYS A 23 5.894 -0.837 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 23 7.170 -3.167 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.408 -0.512 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.345 -1.782 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.943 -0.523 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.535 0.203 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.476 -1.929 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.910 -2.702 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.444 -0.206 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.386 -1.836 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.253 -0.786 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.095 -2.029 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.161 -0.411 -8.191 1.00 0.00 H new ATOM 382 N THR A 24 7.685 -2.376 -2.045 1.00 0.00 N ATOM 383 CA THR A 24 8.145 -2.903 -0.711 1.00 0.00 C ATOM 384 C THR A 24 7.078 -3.461 0.259 1.00 0.00 C ATOM 385 O THR A 24 7.328 -4.455 0.913 1.00 0.00 O ATOM 386 CB THR A 24 8.915 -1.759 -0.012 1.00 0.00 C ATOM 387 OG1 THR A 24 9.980 -1.450 -0.902 1.00 0.00 O ATOM 388 CG2 THR A 24 9.609 -2.223 1.289 1.00 0.00 C ATOM 0 H THR A 24 7.262 -1.449 -2.005 1.00 0.00 H new ATOM 0 HA THR A 24 8.745 -3.782 -0.945 1.00 0.00 H new ATOM 0 HB THR A 24 8.225 -0.948 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.520 -0.724 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.135 -1.382 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.861 -2.599 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.321 -3.015 1.059 1.00 0.00 H new ATOM 396 N LYS A 25 5.932 -2.834 0.337 1.00 0.00 N ATOM 397 CA LYS A 25 4.848 -3.301 1.263 1.00 0.00 C ATOM 398 C LYS A 25 4.068 -4.507 0.743 1.00 0.00 C ATOM 399 O LYS A 25 3.510 -5.252 1.526 1.00 0.00 O ATOM 400 CB LYS A 25 3.852 -2.148 1.509 1.00 0.00 C ATOM 401 CG LYS A 25 4.562 -0.881 2.046 1.00 0.00 C ATOM 402 CD LYS A 25 5.365 -1.172 3.335 1.00 0.00 C ATOM 403 CE LYS A 25 5.970 0.141 3.858 1.00 0.00 C ATOM 404 NZ LYS A 25 6.918 0.709 2.856 1.00 0.00 N ATOM 0 H LYS A 25 5.695 -2.005 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 25 5.347 -3.610 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.336 -1.909 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.093 -2.469 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.233 -0.489 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.821 -0.107 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.716 -1.614 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.155 -1.895 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.176 0.858 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.490 -0.039 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.504 1.440 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.530 -0.048 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.382 1.131 2.071 1.00 0.00 H new ATOM 418 N HIS A 26 4.046 -4.669 -0.553 1.00 0.00 N ATOM 419 CA HIS A 26 3.315 -5.808 -1.177 1.00 0.00 C ATOM 420 C HIS A 26 4.315 -6.773 -1.791 1.00 0.00 C ATOM 421 O HIS A 26 4.190 -7.964 -1.595 1.00 0.00 O ATOM 422 CB HIS A 26 2.353 -5.216 -2.226 1.00 0.00 C ATOM 423 CG HIS A 26 1.302 -4.416 -1.456 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.585 -4.895 -0.490 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.892 -3.103 -1.570 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.203 -3.976 -0.031 1.00 0.00 C ATOM 427 NE2 HIS A 26 -0.037 -2.851 -0.678 1.00 0.00 N ATOM 0 H HIS A 26 4.512 -4.049 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 26 2.738 -6.372 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.890 -4.576 -2.926 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.885 -6.007 -2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.634 -5.853 -0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.277 -2.391 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.904 -4.119 0.778 1.00 0.00 H new ATOM 435 N SER A 27 5.251 -6.187 -2.499 1.00 0.00 N ATOM 436 CA SER A 27 6.382 -6.859 -3.229 1.00 0.00 C ATOM 437 C SER A 27 6.261 -6.544 -4.723 1.00 0.00 C ATOM 438 O SER A 27 5.386 -5.802 -5.127 1.00 0.00 O ATOM 439 CB SER A 27 6.373 -8.427 -3.091 1.00 0.00 C ATOM 440 OG SER A 27 5.219 -8.861 -3.803 1.00 0.00 O ATOM 0 H SER A 27 5.276 -5.173 -2.608 1.00 0.00 H new ATOM 0 HA SER A 27 7.303 -6.480 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.280 -8.864 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.326 -8.729 -2.045 1.00 0.00 H new ATOM 0 HG SER A 27 4.445 -8.861 -3.202 1.00 0.00 H new ATOM 446 N LYS A 28 7.178 -7.139 -5.449 1.00 0.00 N ATOM 447 CA LYS A 28 7.336 -7.051 -6.942 1.00 0.00 C ATOM 448 C LYS A 28 8.343 -5.977 -7.353 1.00 0.00 C ATOM 449 O LYS A 28 8.664 -5.085 -6.592 1.00 0.00 O ATOM 450 CB LYS A 28 5.970 -6.737 -7.641 1.00 0.00 C ATOM 451 CG LYS A 28 4.951 -7.868 -7.320 1.00 0.00 C ATOM 452 CD LYS A 28 3.517 -7.337 -7.522 1.00 0.00 C ATOM 453 CE LYS A 28 2.480 -8.454 -7.281 1.00 0.00 C ATOM 454 NZ LYS A 28 2.632 -9.093 -5.938 1.00 0.00 N ATOM 0 H LYS A 28 7.887 -7.736 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 28 7.704 -8.026 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.585 -5.777 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.111 -6.655 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.128 -8.726 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.083 -8.211 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.331 -6.509 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.408 -6.946 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.476 -8.039 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.582 -9.214 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.817 -9.713 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.507 -9.655 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.678 -8.356 -5.206 1.00 0.00 H new ATOM 468 N GLU A 29 8.799 -6.124 -8.570 1.00 0.00 N ATOM 469 CA GLU A 29 9.792 -5.186 -9.174 1.00 0.00 C ATOM 470 C GLU A 29 9.230 -4.639 -10.501 1.00 0.00 C ATOM 471 O GLU A 29 9.962 -4.185 -11.359 1.00 0.00 O ATOM 472 CB GLU A 29 11.131 -5.962 -9.398 1.00 0.00 C ATOM 473 CG GLU A 29 11.069 -7.055 -10.512 1.00 0.00 C ATOM 474 CD GLU A 29 10.007 -8.137 -10.227 1.00 0.00 C ATOM 475 OE1 GLU A 29 10.351 -9.059 -9.507 1.00 0.00 O ATOM 476 OE2 GLU A 29 8.909 -7.984 -10.740 1.00 0.00 O ATOM 0 H GLU A 29 8.514 -6.882 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 29 9.983 -4.340 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.913 -5.246 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.424 -6.434 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.851 -6.581 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.047 -7.527 -10.606 1.00 0.00 H new ATOM 483 N LYS A 30 7.926 -4.710 -10.607 1.00 0.00 N ATOM 484 CA LYS A 30 7.189 -4.231 -11.818 1.00 0.00 C ATOM 485 C LYS A 30 6.075 -3.264 -11.410 1.00 0.00 C ATOM 486 O LYS A 30 5.322 -3.490 -10.483 1.00 0.00 O ATOM 487 CB LYS A 30 6.602 -5.454 -12.547 1.00 0.00 C ATOM 488 CG LYS A 30 7.737 -6.219 -13.267 1.00 0.00 C ATOM 489 CD LYS A 30 7.266 -7.610 -13.781 1.00 0.00 C ATOM 490 CE LYS A 30 6.085 -7.503 -14.779 1.00 0.00 C ATOM 491 NZ LYS A 30 4.808 -7.199 -14.069 1.00 0.00 N ATOM 0 H LYS A 30 7.323 -5.093 -9.879 1.00 0.00 H new ATOM 0 HA LYS A 30 7.869 -3.699 -12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.102 -6.110 -11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.850 -5.134 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.099 -5.625 -14.107 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.576 -6.350 -12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.101 -8.118 -14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.966 -8.225 -12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.293 -6.722 -15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.985 -8.438 -15.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.068 -7.856 -14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.947 -7.307 -13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.518 -6.222 -14.278 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.720 -0.984 -0.619 1.00 0.00 ZN