USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=16 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 17 ASN :FLIP amide:sc= 0 F(o=-1.7,f=-0.58) USER MOD Set 1.2: A 20 THR OG1 : rot 137:sc= -0.578 USER MOD Set 2.1: A 16 SER OG : rot 99:sc= 0.337 USER MOD Set 2.2: A 19 LYS NZ :NH3+ -176:sc= -0.0552 (180deg=-0.0966) USER MOD Set 3.1: A 6 GLN : amide:sc= -0.624 X(o=-0.62,f=-1.1!) USER MOD Set 3.2: A 7 TYR OH : rot 180:sc= 0.00491 USER MOD Single : A 1 LYS N :NH3+ -176:sc= 0 (180deg=-0.0264) USER MOD Single : A 1 LYS NZ :NH3+ -170:sc=-0.00969 (180deg=-0.18) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -2.41 K(o=-2.4,f=-6.3!) USER MOD Single : A 12 SER OG : rot -130:sc= -0.134 USER MOD Single : A 15 SER OG : rot 85:sc= 1.06 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc=-0.00586 (180deg=-0.149) USER MOD Single : A 24 THR OG1 : rot 85:sc= 0.761 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.118) USER MOD Single : A 27 SER OG : rot -64:sc= -1.03 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0425 (180deg=-0.393) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.389 15.196 -5.625 1.00 0.00 N ATOM 2 CA LYS A 1 -5.001 15.420 -5.127 1.00 0.00 C ATOM 3 C LYS A 1 -4.364 14.081 -4.734 1.00 0.00 C ATOM 4 O LYS A 1 -3.232 13.823 -5.091 1.00 0.00 O ATOM 5 CB LYS A 1 -5.007 16.353 -3.885 1.00 0.00 C ATOM 6 CG LYS A 1 -3.544 16.648 -3.428 1.00 0.00 C ATOM 7 CD LYS A 1 -3.519 17.482 -2.118 1.00 0.00 C ATOM 8 CE LYS A 1 -4.246 18.836 -2.284 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.638 19.629 -3.390 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.790 16.098 -5.953 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.370 14.519 -6.414 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.976 14.815 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.426 15.888 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.517 17.286 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.563 15.886 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.013 15.709 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.017 17.187 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.990 16.913 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.486 17.659 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.302 18.664 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.192 19.400 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.023 20.595 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.606 19.666 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.860 19.180 -4.302 1.00 0.00 H new ATOM 25 N THR A 2 -5.108 13.273 -4.016 1.00 0.00 N ATOM 26 CA THR A 2 -4.569 11.946 -3.575 1.00 0.00 C ATOM 27 C THR A 2 -5.095 10.740 -4.361 1.00 0.00 C ATOM 28 O THR A 2 -6.053 10.817 -5.105 1.00 0.00 O ATOM 29 CB THR A 2 -4.898 11.752 -2.073 1.00 0.00 C ATOM 30 OG1 THR A 2 -6.312 11.865 -1.979 1.00 0.00 O ATOM 31 CG2 THR A 2 -4.354 12.909 -1.215 1.00 0.00 C ATOM 0 H THR A 2 -6.062 13.474 -3.717 1.00 0.00 H new ATOM 0 HA THR A 2 -3.496 11.977 -3.765 1.00 0.00 H new ATOM 0 HB THR A 2 -4.474 10.808 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.588 11.749 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.605 12.735 -0.169 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.271 12.964 -1.324 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.800 13.847 -1.545 1.00 0.00 H new ATOM 39 N TYR A 3 -4.394 9.659 -4.127 1.00 0.00 N ATOM 40 CA TYR A 3 -4.677 8.332 -4.761 1.00 0.00 C ATOM 41 C TYR A 3 -4.858 7.270 -3.661 1.00 0.00 C ATOM 42 O TYR A 3 -4.711 7.571 -2.494 1.00 0.00 O ATOM 43 CB TYR A 3 -3.486 7.931 -5.667 1.00 0.00 C ATOM 44 CG TYR A 3 -3.158 9.043 -6.685 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.553 10.219 -6.277 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.464 8.883 -8.023 1.00 0.00 C ATOM 47 CE1 TYR A 3 -2.263 11.212 -7.187 1.00 0.00 C ATOM 48 CE2 TYR A 3 -3.171 9.878 -8.933 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.569 11.049 -8.520 1.00 0.00 C ATOM 50 OH TYR A 3 -2.274 12.045 -9.430 1.00 0.00 O ATOM 0 H TYR A 3 -3.597 9.643 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.586 8.400 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.610 7.729 -5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.723 7.008 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.306 10.360 -5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.936 7.972 -8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.792 12.125 -6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.415 9.739 -9.976 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.556 11.764 -10.325 1.00 0.00 H new ATOM 60 N GLN A 4 -5.173 6.065 -4.075 1.00 0.00 N ATOM 61 CA GLN A 4 -5.379 4.923 -3.118 1.00 0.00 C ATOM 62 C GLN A 4 -4.496 3.747 -3.602 1.00 0.00 C ATOM 63 O GLN A 4 -4.155 3.733 -4.770 1.00 0.00 O ATOM 64 CB GLN A 4 -6.862 4.509 -3.147 1.00 0.00 C ATOM 65 CG GLN A 4 -7.213 3.551 -1.983 1.00 0.00 C ATOM 66 CD GLN A 4 -7.233 4.333 -0.664 1.00 0.00 C ATOM 67 OE1 GLN A 4 -8.002 5.256 -0.488 1.00 0.00 O ATOM 68 NE2 GLN A 4 -6.413 4.000 0.293 1.00 0.00 N ATOM 0 H GLN A 4 -5.299 5.817 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.110 5.206 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.489 5.399 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.086 4.024 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.184 3.089 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.482 2.745 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.761 3.227 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.423 4.513 1.175 1.00 0.00 H new ATOM 77 N CYS A 5 -4.139 2.798 -2.759 1.00 0.00 N ATOM 78 CA CYS A 5 -3.292 1.677 -3.269 1.00 0.00 C ATOM 79 C CYS A 5 -4.166 0.668 -4.030 1.00 0.00 C ATOM 80 O CYS A 5 -5.378 0.769 -4.038 1.00 0.00 O ATOM 81 CB CYS A 5 -2.617 0.990 -2.093 1.00 0.00 C ATOM 82 SG CYS A 5 -1.608 -0.459 -2.474 1.00 0.00 S ATOM 0 H CYS A 5 -4.391 2.754 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.535 2.070 -3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.986 1.721 -1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.389 0.691 -1.384 1.00 0.00 H new ATOM 87 N GLN A 6 -3.500 -0.277 -4.639 1.00 0.00 N ATOM 88 CA GLN A 6 -4.187 -1.345 -5.434 1.00 0.00 C ATOM 89 C GLN A 6 -4.377 -2.643 -4.629 1.00 0.00 C ATOM 90 O GLN A 6 -5.306 -3.382 -4.889 1.00 0.00 O ATOM 91 CB GLN A 6 -3.321 -1.547 -6.704 1.00 0.00 C ATOM 92 CG GLN A 6 -3.855 -2.647 -7.659 1.00 0.00 C ATOM 93 CD GLN A 6 -3.178 -3.995 -7.356 1.00 0.00 C ATOM 94 OE1 GLN A 6 -3.483 -4.673 -6.396 1.00 0.00 O ATOM 95 NE2 GLN A 6 -2.238 -4.414 -8.160 1.00 0.00 N ATOM 0 H GLN A 6 -2.483 -0.357 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.202 -1.049 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.264 -0.604 -7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.305 -1.803 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.935 -2.742 -7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.666 -2.362 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.973 -3.854 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.769 -5.302 -7.978 1.00 0.00 H new ATOM 104 N TYR A 7 -3.507 -2.881 -3.681 1.00 0.00 N ATOM 105 CA TYR A 7 -3.591 -4.116 -2.834 1.00 0.00 C ATOM 106 C TYR A 7 -4.201 -3.808 -1.463 1.00 0.00 C ATOM 107 O TYR A 7 -5.019 -4.566 -0.979 1.00 0.00 O ATOM 108 CB TYR A 7 -2.177 -4.697 -2.645 1.00 0.00 C ATOM 109 CG TYR A 7 -1.690 -5.334 -3.952 1.00 0.00 C ATOM 110 CD1 TYR A 7 -2.213 -6.546 -4.361 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.741 -4.712 -4.739 1.00 0.00 C ATOM 112 CE1 TYR A 7 -1.794 -7.130 -5.536 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.321 -5.299 -5.916 1.00 0.00 C ATOM 114 CZ TYR A 7 -0.847 -6.509 -6.321 1.00 0.00 C ATOM 115 OH TYR A 7 -0.430 -7.083 -7.505 1.00 0.00 O ATOM 0 H TYR A 7 -2.728 -2.263 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.233 -4.838 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.490 -3.909 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.185 -5.442 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.957 -7.040 -3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.326 -3.763 -4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.209 -8.078 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.424 -4.808 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 7 0.241 -6.508 -7.929 1.00 0.00 H new ATOM 125 N CYS A 8 -3.784 -2.710 -0.880 1.00 0.00 N ATOM 126 CA CYS A 8 -4.304 -2.301 0.467 1.00 0.00 C ATOM 127 C CYS A 8 -5.094 -0.988 0.371 1.00 0.00 C ATOM 128 O CYS A 8 -5.528 -0.595 -0.695 1.00 0.00 O ATOM 129 CB CYS A 8 -3.125 -2.117 1.412 1.00 0.00 C ATOM 130 SG CYS A 8 -2.215 -0.565 1.236 1.00 0.00 S ATOM 0 H CYS A 8 -3.098 -2.072 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.973 -3.076 0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.490 -2.189 2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.430 -2.943 1.262 1.00 0.00 H new ATOM 135 N GLU A 9 -5.242 -0.361 1.514 1.00 0.00 N ATOM 136 CA GLU A 9 -5.981 0.931 1.617 1.00 0.00 C ATOM 137 C GLU A 9 -5.001 2.064 1.994 1.00 0.00 C ATOM 138 O GLU A 9 -5.183 2.760 2.975 1.00 0.00 O ATOM 139 CB GLU A 9 -7.095 0.749 2.693 1.00 0.00 C ATOM 140 CG GLU A 9 -8.086 1.952 2.733 1.00 0.00 C ATOM 141 CD GLU A 9 -9.089 1.903 1.559 1.00 0.00 C ATOM 142 OE1 GLU A 9 -8.646 1.985 0.425 1.00 0.00 O ATOM 143 OE2 GLU A 9 -10.264 1.782 1.864 1.00 0.00 O ATOM 0 H GLU A 9 -4.870 -0.703 2.400 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.438 1.205 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.648 -0.167 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.633 0.629 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.630 1.944 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.526 2.887 2.695 1.00 0.00 H new HETATM 150 N ALC A 10 -3.977 2.212 1.189 1.00 0.00 N HETATM 151 CA ALC A 10 -2.949 3.283 1.434 1.00 0.00 C HETATM 152 C ALC A 10 -3.183 4.432 0.459 1.00 0.00 C HETATM 153 O ALC A 10 -3.795 4.229 -0.566 1.00 0.00 O HETATM 154 CB ALC A 10 -1.580 2.723 1.090 1.00 0.00 C HETATM 155 CG ALC A 10 -0.452 3.646 1.659 1.00 0.00 C HETATM 156 CD2 ALC A 10 0.274 2.969 2.839 1.00 0.00 C HETATM 157 CE2 ALC A 10 1.410 3.894 3.351 1.00 0.00 C HETATM 158 CZ ALC A 10 2.401 4.235 2.207 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.658 4.895 1.025 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.555 3.949 0.516 1.00 0.00 C HETATM 0 HE23 ALC A 10 1.943 3.405 4.166 1.00 0.00 H new HETATM 0 HE22 ALC A 10 0.983 4.812 3.754 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.359 5.119 0.221 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.221 5.843 1.340 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.686 2.010 2.524 1.00 0.00 H new HETATM 0 HD22 ALC A 10 -0.432 2.763 3.644 1.00 0.00 H new HETATM 0 HD13 ALC A 10 0.998 3.021 0.155 1.00 0.00 H new HETATM 0 HD12 ALC A 10 0.035 4.403 -0.327 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 2.901 3.327 1.869 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 3.176 4.906 2.577 1.00 0.00 H new HETATM 0 HG ALC A 10 -0.894 4.571 2.030 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.478 1.718 1.501 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.477 2.637 0.008 1.00 0.00 H new HETATM 0 HA ALC A 10 -3.014 3.613 2.471 1.00 0.00 H new ATOM 176 N ARG A 11 -2.697 5.598 0.794 1.00 0.00 N ATOM 177 CA ARG A 11 -2.883 6.771 -0.109 1.00 0.00 C ATOM 178 C ARG A 11 -1.570 7.522 -0.345 1.00 0.00 C ATOM 179 O ARG A 11 -0.675 7.507 0.478 1.00 0.00 O ATOM 180 CB ARG A 11 -3.916 7.722 0.522 1.00 0.00 C ATOM 181 CG ARG A 11 -5.263 6.992 0.705 1.00 0.00 C ATOM 182 CD ARG A 11 -6.276 7.944 1.358 1.00 0.00 C ATOM 183 NE ARG A 11 -7.555 7.193 1.538 1.00 0.00 N ATOM 184 CZ ARG A 11 -8.047 6.986 2.728 1.00 0.00 C ATOM 185 NH1 ARG A 11 -8.551 7.988 3.396 1.00 0.00 N ATOM 186 NH2 ARG A 11 -8.017 5.773 3.210 1.00 0.00 N ATOM 0 H ARG A 11 -2.180 5.788 1.652 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.233 6.409 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.553 8.079 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.051 8.598 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.638 6.651 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.128 6.106 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.903 8.299 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.433 8.823 0.732 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.050 6.838 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.558 8.922 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.938 7.837 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.615 5.015 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.395 5.584 4.138 1.00 0.00 H new ATOM 200 N SER A 12 -1.525 8.157 -1.488 1.00 0.00 N ATOM 201 CA SER A 12 -0.339 8.967 -1.916 1.00 0.00 C ATOM 202 C SER A 12 -0.908 10.316 -2.363 1.00 0.00 C ATOM 203 O SER A 12 -2.111 10.463 -2.425 1.00 0.00 O ATOM 204 CB SER A 12 0.391 8.273 -3.089 1.00 0.00 C ATOM 205 OG SER A 12 0.755 7.001 -2.574 1.00 0.00 O ATOM 0 H SER A 12 -2.287 8.148 -2.166 1.00 0.00 H new ATOM 0 HA SER A 12 0.388 9.081 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.257 8.178 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.267 8.840 -3.403 1.00 0.00 H new ATOM 0 HG SER A 12 1.704 6.835 -2.752 1.00 0.00 H new ATOM 211 N ALA A 13 -0.049 11.253 -2.669 1.00 0.00 N ATOM 212 CA ALA A 13 -0.515 12.608 -3.112 1.00 0.00 C ATOM 213 C ALA A 13 -0.120 12.933 -4.557 1.00 0.00 C ATOM 214 O ALA A 13 -0.559 13.930 -5.098 1.00 0.00 O ATOM 215 CB ALA A 13 0.087 13.651 -2.163 1.00 0.00 C ATOM 0 H ALA A 13 0.964 11.140 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.604 12.621 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.237 14.647 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.248 13.453 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.175 13.596 -2.204 1.00 0.00 H new ATOM 221 N ASP A 14 0.697 12.092 -5.138 1.00 0.00 N ATOM 222 CA ASP A 14 1.150 12.313 -6.547 1.00 0.00 C ATOM 223 C ASP A 14 1.174 11.004 -7.334 1.00 0.00 C ATOM 224 O ASP A 14 0.565 10.899 -8.378 1.00 0.00 O ATOM 225 CB ASP A 14 2.558 12.955 -6.489 1.00 0.00 C ATOM 226 CG ASP A 14 3.135 13.166 -7.906 1.00 0.00 C ATOM 227 OD1 ASP A 14 3.523 12.171 -8.501 1.00 0.00 O ATOM 228 OD2 ASP A 14 3.155 14.314 -8.317 1.00 0.00 O ATOM 0 H ASP A 14 1.073 11.254 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 14 0.454 12.973 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.503 13.912 -5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.228 12.317 -5.912 1.00 0.00 H new ATOM 233 N SER A 15 1.910 10.093 -6.746 1.00 0.00 N ATOM 234 CA SER A 15 2.189 8.690 -7.205 1.00 0.00 C ATOM 235 C SER A 15 3.721 8.602 -7.290 1.00 0.00 C ATOM 236 O SER A 15 4.385 9.612 -7.162 1.00 0.00 O ATOM 237 CB SER A 15 1.598 8.378 -8.612 1.00 0.00 C ATOM 238 OG SER A 15 0.189 8.352 -8.412 1.00 0.00 O ATOM 0 H SER A 15 2.381 10.295 -5.864 1.00 0.00 H new ATOM 0 HA SER A 15 1.734 7.977 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.881 9.139 -9.339 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.962 7.424 -8.992 1.00 0.00 H new ATOM 0 HG SER A 15 -0.167 9.263 -8.474 1.00 0.00 H new ATOM 244 N SER A 16 4.207 7.401 -7.495 1.00 0.00 N ATOM 245 CA SER A 16 5.673 7.044 -7.608 1.00 0.00 C ATOM 246 C SER A 16 5.941 6.424 -6.249 1.00 0.00 C ATOM 247 O SER A 16 6.463 5.333 -6.136 1.00 0.00 O ATOM 248 CB SER A 16 6.620 8.266 -7.791 1.00 0.00 C ATOM 249 OG SER A 16 6.168 8.843 -9.007 1.00 0.00 O ATOM 0 H SER A 16 3.601 6.587 -7.597 1.00 0.00 H new ATOM 0 HA SER A 16 5.861 6.418 -8.480 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.541 8.966 -6.959 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.665 7.961 -7.853 1.00 0.00 H new ATOM 0 HG SER A 16 5.574 9.597 -8.810 1.00 0.00 H new ATOM 255 N ASN A 17 5.550 7.164 -5.241 1.00 0.00 N ATOM 256 CA ASN A 17 5.732 6.692 -3.842 1.00 0.00 C ATOM 257 C ASN A 17 4.753 5.515 -3.679 1.00 0.00 C ATOM 258 O ASN A 17 4.982 4.622 -2.890 1.00 0.00 O ATOM 259 CB ASN A 17 5.384 7.829 -2.872 1.00 0.00 C ATOM 260 CG ASN A 17 5.688 7.432 -1.414 1.00 0.00 C ATOM 261 OD1 ASN A 17 6.335 6.330 -1.137 1.00 0.00 O flip ATOM 262 ND2 ASN A 17 5.331 8.142 -0.496 1.00 0.00 N flip ATOM 0 H ASN A 17 5.110 8.080 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 17 6.757 6.386 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.953 8.721 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.329 8.083 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.825 9.007 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.537 7.874 0.466 1.00 0.00 H new ATOM 269 N LEU A 18 3.681 5.541 -4.435 1.00 0.00 N ATOM 270 CA LEU A 18 2.685 4.432 -4.345 1.00 0.00 C ATOM 271 C LEU A 18 3.312 3.215 -5.044 1.00 0.00 C ATOM 272 O LEU A 18 3.170 2.100 -4.589 1.00 0.00 O ATOM 273 CB LEU A 18 1.382 4.854 -5.055 1.00 0.00 C ATOM 274 CG LEU A 18 0.230 3.831 -4.774 1.00 0.00 C ATOM 275 CD1 LEU A 18 -0.084 3.755 -3.255 1.00 0.00 C ATOM 276 CD2 LEU A 18 -1.027 4.323 -5.509 1.00 0.00 C ATOM 0 H LEU A 18 3.456 6.277 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 18 2.441 4.194 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.083 5.845 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.556 4.925 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 18 0.534 2.842 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.887 3.038 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.807 3.436 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.393 4.737 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.848 3.628 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.301 5.311 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.825 4.379 -6.579 1.00 0.00 H new ATOM 288 N LYS A 19 3.994 3.446 -6.139 1.00 0.00 N ATOM 289 CA LYS A 19 4.641 2.308 -6.865 1.00 0.00 C ATOM 290 C LYS A 19 5.680 1.689 -5.917 1.00 0.00 C ATOM 291 O LYS A 19 5.659 0.494 -5.696 1.00 0.00 O ATOM 292 CB LYS A 19 5.273 2.880 -8.158 1.00 0.00 C ATOM 293 CG LYS A 19 4.216 2.881 -9.303 1.00 0.00 C ATOM 294 CD LYS A 19 4.583 3.935 -10.377 1.00 0.00 C ATOM 295 CE LYS A 19 3.933 5.281 -10.004 1.00 0.00 C ATOM 296 NZ LYS A 19 4.558 6.395 -10.779 1.00 0.00 N ATOM 0 H LYS A 19 4.130 4.365 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 19 3.939 1.525 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.633 3.894 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.137 2.282 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.163 1.892 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.229 3.097 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.666 4.045 -10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.237 3.609 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.863 5.244 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.048 5.464 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.157 7.302 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.585 6.397 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.368 6.262 -11.793 1.00 0.00 H new ATOM 310 N THR A 20 6.563 2.496 -5.374 1.00 0.00 N ATOM 311 CA THR A 20 7.593 1.950 -4.427 1.00 0.00 C ATOM 312 C THR A 20 6.839 1.184 -3.326 1.00 0.00 C ATOM 313 O THR A 20 7.164 0.046 -3.043 1.00 0.00 O ATOM 314 CB THR A 20 8.425 3.112 -3.809 1.00 0.00 C ATOM 315 OG1 THR A 20 7.508 4.089 -3.338 1.00 0.00 O ATOM 316 CG2 THR A 20 9.246 3.830 -4.887 1.00 0.00 C ATOM 0 H THR A 20 6.616 3.501 -5.543 1.00 0.00 H new ATOM 0 HA THR A 20 8.286 1.289 -4.948 1.00 0.00 H new ATOM 0 HB THR A 20 9.074 2.700 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.799 4.414 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.819 4.638 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.929 3.122 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.575 4.242 -5.641 1.00 0.00 H new ATOM 324 N HIS A 21 5.859 1.840 -2.741 1.00 0.00 N ATOM 325 CA HIS A 21 5.032 1.217 -1.662 1.00 0.00 C ATOM 326 C HIS A 21 4.648 -0.213 -2.090 1.00 0.00 C ATOM 327 O HIS A 21 4.898 -1.144 -1.360 1.00 0.00 O ATOM 328 CB HIS A 21 3.781 2.101 -1.442 1.00 0.00 C ATOM 329 CG HIS A 21 2.722 1.317 -0.677 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.715 1.060 0.591 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.580 0.717 -1.165 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.663 0.359 0.879 1.00 0.00 C ATOM 333 NE2 HIS A 21 0.940 0.127 -0.183 1.00 0.00 N ATOM 0 H HIS A 21 5.596 2.798 -2.973 1.00 0.00 H new ATOM 0 HA HIS A 21 5.584 1.151 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.052 2.999 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.382 2.427 -2.402 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.425 1.361 1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.261 0.731 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.416 0.011 1.871 1.00 0.00 H new ATOM 341 N ILE A 22 4.054 -0.360 -3.249 1.00 0.00 N ATOM 342 CA ILE A 22 3.666 -1.728 -3.722 1.00 0.00 C ATOM 343 C ILE A 22 4.906 -2.651 -3.725 1.00 0.00 C ATOM 344 O ILE A 22 4.842 -3.781 -3.280 1.00 0.00 O ATOM 345 CB ILE A 22 3.043 -1.584 -5.145 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.686 -0.826 -5.003 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.791 -2.988 -5.760 1.00 0.00 C ATOM 348 CD1 ILE A 22 1.141 -0.409 -6.381 1.00 0.00 C ATOM 0 H ILE A 22 3.822 0.402 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 22 2.931 -2.181 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 22 3.722 -1.035 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.960 -1.464 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.822 0.057 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.356 -2.877 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.735 -3.527 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.105 -3.546 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.195 0.117 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.859 0.248 -6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.983 -1.297 -6.994 1.00 0.00 H new ATOM 360 N LYS A 23 5.997 -2.126 -4.226 1.00 0.00 N ATOM 361 CA LYS A 23 7.284 -2.896 -4.297 1.00 0.00 C ATOM 362 C LYS A 23 8.077 -2.913 -2.967 1.00 0.00 C ATOM 363 O LYS A 23 9.234 -3.289 -2.946 1.00 0.00 O ATOM 364 CB LYS A 23 8.161 -2.271 -5.405 1.00 0.00 C ATOM 365 CG LYS A 23 7.503 -2.396 -6.797 1.00 0.00 C ATOM 366 CD LYS A 23 7.553 -3.864 -7.277 1.00 0.00 C ATOM 367 CE LYS A 23 7.042 -3.953 -8.727 1.00 0.00 C ATOM 368 NZ LYS A 23 5.613 -3.537 -8.810 1.00 0.00 N ATOM 0 H LYS A 23 6.053 -1.177 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 23 7.029 -3.933 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.337 -1.219 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.134 -2.761 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.469 -2.055 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.019 -1.754 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.574 -4.242 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.942 -4.490 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.649 -3.317 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.150 -4.974 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.235 -3.778 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.064 -4.032 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.541 -2.510 -8.662 1.00 0.00 H new ATOM 382 N THR A 24 7.432 -2.505 -1.905 1.00 0.00 N ATOM 383 CA THR A 24 8.061 -2.469 -0.542 1.00 0.00 C ATOM 384 C THR A 24 7.214 -3.265 0.473 1.00 0.00 C ATOM 385 O THR A 24 7.738 -3.997 1.292 1.00 0.00 O ATOM 386 CB THR A 24 8.181 -0.989 -0.128 1.00 0.00 C ATOM 387 OG1 THR A 24 9.126 -0.480 -1.057 1.00 0.00 O ATOM 388 CG2 THR A 24 8.873 -0.787 1.233 1.00 0.00 C ATOM 0 H THR A 24 6.464 -2.184 -1.923 1.00 0.00 H new ATOM 0 HA THR A 24 9.046 -2.934 -0.563 1.00 0.00 H new ATOM 0 HB THR A 24 7.189 -0.539 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.665 -0.214 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.923 0.278 1.461 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.304 -1.298 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.882 -1.197 1.193 1.00 0.00 H new ATOM 396 N LYS A 25 5.924 -3.086 0.367 1.00 0.00 N ATOM 397 CA LYS A 25 4.915 -3.750 1.246 1.00 0.00 C ATOM 398 C LYS A 25 4.219 -4.935 0.562 1.00 0.00 C ATOM 399 O LYS A 25 4.036 -5.960 1.191 1.00 0.00 O ATOM 400 CB LYS A 25 3.820 -2.737 1.648 1.00 0.00 C ATOM 401 CG LYS A 25 4.382 -1.474 2.345 1.00 0.00 C ATOM 402 CD LYS A 25 5.147 -1.830 3.640 1.00 0.00 C ATOM 403 CE LYS A 25 5.349 -0.555 4.486 1.00 0.00 C ATOM 404 NZ LYS A 25 6.086 0.489 3.718 1.00 0.00 N ATOM 0 H LYS A 25 5.508 -2.472 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 25 5.461 -4.118 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.268 -2.437 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.109 -3.226 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.048 -0.947 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.564 -0.794 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.591 -2.574 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.112 -2.273 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.380 -0.165 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.901 -0.801 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.415 1.231 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.904 0.057 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.454 0.908 3.007 1.00 0.00 H new ATOM 418 N HIS A 26 3.854 -4.781 -0.689 1.00 0.00 N ATOM 419 CA HIS A 26 3.161 -5.914 -1.397 1.00 0.00 C ATOM 420 C HIS A 26 4.114 -6.751 -2.264 1.00 0.00 C ATOM 421 O HIS A 26 3.708 -7.397 -3.211 1.00 0.00 O ATOM 422 CB HIS A 26 2.034 -5.320 -2.266 1.00 0.00 C ATOM 423 CG HIS A 26 1.095 -4.495 -1.379 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.445 -4.934 -0.348 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.747 -3.164 -1.463 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.252 -3.973 0.174 1.00 0.00 C ATOM 427 NE2 HIS A 26 -0.088 -2.861 -0.494 1.00 0.00 N ATOM 0 H HIS A 26 4.000 -3.938 -1.245 1.00 0.00 H new ATOM 0 HA HIS A 26 2.760 -6.593 -0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.456 -4.693 -3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.480 -6.118 -2.759 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.477 -5.892 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.106 -2.474 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.883 -4.077 1.044 1.00 0.00 H new ATOM 435 N SER A 27 5.367 -6.700 -1.896 1.00 0.00 N ATOM 436 CA SER A 27 6.442 -7.454 -2.607 1.00 0.00 C ATOM 437 C SER A 27 7.252 -8.190 -1.529 1.00 0.00 C ATOM 438 O SER A 27 6.884 -8.173 -0.369 1.00 0.00 O ATOM 439 CB SER A 27 7.327 -6.462 -3.363 1.00 0.00 C ATOM 440 OG SER A 27 7.929 -5.656 -2.354 1.00 0.00 O ATOM 0 H SER A 27 5.700 -6.148 -1.105 1.00 0.00 H new ATOM 0 HA SER A 27 6.035 -8.164 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.081 -6.979 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.739 -5.856 -4.053 1.00 0.00 H new ATOM 0 HG SER A 27 7.235 -5.148 -1.884 1.00 0.00 H new ATOM 446 N LYS A 28 8.326 -8.810 -1.941 1.00 0.00 N ATOM 447 CA LYS A 28 9.189 -9.550 -0.972 1.00 0.00 C ATOM 448 C LYS A 28 10.585 -8.909 -1.063 1.00 0.00 C ATOM 449 O LYS A 28 11.595 -9.566 -1.227 1.00 0.00 O ATOM 450 CB LYS A 28 9.213 -11.052 -1.363 1.00 0.00 C ATOM 451 CG LYS A 28 9.858 -11.835 -0.191 1.00 0.00 C ATOM 452 CD LYS A 28 9.787 -13.351 -0.427 1.00 0.00 C ATOM 453 CE LYS A 28 10.407 -14.053 0.797 1.00 0.00 C ATOM 454 NZ LYS A 28 10.333 -15.531 0.634 1.00 0.00 N ATOM 0 H LYS A 28 8.644 -8.836 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 28 8.821 -9.491 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.203 -11.413 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.783 -11.199 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.898 -11.531 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.349 -11.585 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.753 -13.667 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.326 -13.621 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.446 -13.744 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.880 -13.753 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.754 -15.993 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.338 -15.821 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.855 -15.813 -0.220 1.00 0.00 H new ATOM 468 N GLU A 29 10.563 -7.605 -0.951 1.00 0.00 N ATOM 469 CA GLU A 29 11.808 -6.779 -1.009 1.00 0.00 C ATOM 470 C GLU A 29 12.013 -6.151 0.384 1.00 0.00 C ATOM 471 O GLU A 29 11.753 -6.801 1.380 1.00 0.00 O ATOM 472 CB GLU A 29 11.624 -5.691 -2.108 1.00 0.00 C ATOM 473 CG GLU A 29 11.206 -6.338 -3.453 1.00 0.00 C ATOM 474 CD GLU A 29 12.244 -7.387 -3.898 1.00 0.00 C ATOM 475 OE1 GLU A 29 13.365 -6.978 -4.159 1.00 0.00 O ATOM 476 OE2 GLU A 29 11.859 -8.543 -3.948 1.00 0.00 O ATOM 0 H GLU A 29 9.709 -7.063 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 29 12.686 -7.373 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.867 -4.973 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.554 -5.137 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.228 -6.808 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.109 -5.568 -4.218 1.00 0.00 H new ATOM 483 N LYS A 30 12.467 -4.921 0.425 1.00 0.00 N ATOM 484 CA LYS A 30 12.702 -4.213 1.724 1.00 0.00 C ATOM 485 C LYS A 30 11.654 -3.113 1.900 1.00 0.00 C ATOM 486 O LYS A 30 10.469 -3.371 1.976 1.00 0.00 O ATOM 487 CB LYS A 30 14.122 -3.597 1.720 1.00 0.00 C ATOM 488 CG LYS A 30 14.345 -2.708 0.477 1.00 0.00 C ATOM 489 CD LYS A 30 15.707 -1.996 0.615 1.00 0.00 C ATOM 490 CE LYS A 30 16.003 -1.189 -0.659 1.00 0.00 C ATOM 491 NZ LYS A 30 16.179 -2.107 -1.821 1.00 0.00 N ATOM 0 H LYS A 30 12.689 -4.368 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 30 12.620 -4.919 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.266 -3.005 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.866 -4.393 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.326 -3.314 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.543 -1.975 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.696 -1.335 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.496 -2.729 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.187 -0.494 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.904 -0.591 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.683 -1.610 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.730 -2.938 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.247 -2.414 -2.165 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.698 -0.968 -0.435 1.00 0.00 ZN