USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 166 hydrogens (11 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 2 DIL H2 : A 2 DIL N : A 1 ILE C :(H bumps) USER MOD NoAdj-H: A 2 DIL H : A 2 DIL N : A 1 ILE C :(H bumps) USER MOD Set 1.1: A 18 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ 172:sc= -0.0738 (180deg=-0.147) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -8.646 9.447 -6.461 1.00 0.00 N ATOM 2 CA ILE A 1 -8.418 10.447 -7.537 1.00 0.00 C ATOM 3 C ILE A 1 -6.956 10.889 -7.589 1.00 0.00 C ATOM 4 O ILE A 1 -6.543 11.580 -8.520 1.00 0.00 O ATOM 5 CB ILE A 1 -9.314 11.688 -7.345 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.181 12.632 -8.541 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.961 12.408 -6.052 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.339 13.596 -8.682 1.00 0.00 C ATOM 0 H1 ILE A 1 -9.666 9.269 -6.363 1.00 0.00 H new ATOM 0 H2 ILE A 1 -8.162 8.559 -6.704 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.270 9.812 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.675 9.961 -8.478 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.351 11.358 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -8.256 13.200 -8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -9.098 12.041 -9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.604 13.280 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.107 11.733 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -7.919 12.727 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.177 14.234 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -11.265 13.036 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.410 14.213 -7.786 1.00 0.00 H new HETATM 22 N DIL A 2 -6.176 10.489 -6.587 1.00 0.00 N HETATM 23 CA DIL A 2 -4.770 10.845 -6.528 1.00 0.00 C HETATM 24 C DIL A 2 -4.004 10.232 -7.684 1.00 0.00 C HETATM 25 O DIL A 2 -4.214 10.567 -8.850 1.00 0.00 O HETATM 26 CB DIL A 2 -4.564 12.362 -6.553 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.107 12.709 -6.238 1.00 0.00 C HETATM 28 CG2 DIL A 2 -5.508 13.053 -5.577 1.00 0.00 C HETATM 29 CD1 DIL A 2 -2.676 12.303 -4.846 1.00 0.00 C HETATM 0 HG23 DIL A 2 -6.540 12.834 -5.852 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -5.317 12.690 -4.567 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -5.343 14.130 -5.612 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -2.460 12.221 -6.967 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -2.965 13.783 -6.355 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -3.298 12.812 -4.110 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -2.786 11.225 -4.731 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -1.633 12.580 -4.693 1.00 0.00 H new HETATM 0 HB DIL A 2 -4.794 12.723 -7.556 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.391 10.452 -5.584 1.00 0.00 H new ATOM 41 N GLY A 3 -3.110 9.339 -7.329 1.00 0.00 N ATOM 42 CA GLY A 3 -2.279 8.659 -8.300 1.00 0.00 C ATOM 43 C GLY A 3 -1.004 8.159 -7.660 1.00 0.00 C ATOM 44 O GLY A 3 -0.687 6.972 -7.737 1.00 0.00 O ATOM 0 H GLY A 3 -2.937 9.063 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.827 7.821 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.038 9.338 -9.118 1.00 0.00 H new ATOM 48 N PRO A 4 -0.254 9.055 -6.997 1.00 0.00 N ATOM 49 CA PRO A 4 0.983 8.712 -6.318 1.00 0.00 C ATOM 50 C PRO A 4 0.730 8.209 -4.903 1.00 0.00 C ATOM 51 O PRO A 4 1.614 7.635 -4.273 1.00 0.00 O ATOM 52 CB PRO A 4 1.762 10.036 -6.288 1.00 0.00 C ATOM 53 CG PRO A 4 0.824 11.088 -6.805 1.00 0.00 C ATOM 54 CD PRO A 4 -0.551 10.477 -6.839 1.00 0.00 C ATOM 0 HA PRO A 4 1.518 7.908 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.090 10.271 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.657 9.975 -6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.839 11.967 -6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.124 11.416 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.108 10.677 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.147 10.863 -7.666 1.00 0.00 H new ATOM 62 N VAL A 5 -0.493 8.409 -4.418 1.00 0.00 N ATOM 63 CA VAL A 5 -0.869 7.954 -3.083 1.00 0.00 C ATOM 64 C VAL A 5 -1.285 6.496 -3.149 1.00 0.00 C ATOM 65 O VAL A 5 -1.027 5.711 -2.237 1.00 0.00 O ATOM 66 CB VAL A 5 -2.026 8.791 -2.506 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.346 8.358 -1.083 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.686 10.274 -2.556 1.00 0.00 C ATOM 0 H VAL A 5 -1.239 8.882 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.006 8.073 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.912 8.622 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.166 8.962 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.636 7.307 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.466 8.494 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.514 10.851 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.787 10.461 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.514 10.573 -3.590 1.00 0.00 H new ATOM 78 N LEU A 6 -1.918 6.151 -4.260 1.00 0.00 N ATOM 79 CA LEU A 6 -2.376 4.800 -4.512 1.00 0.00 C ATOM 80 C LEU A 6 -1.200 3.824 -4.478 1.00 0.00 C ATOM 81 O LEU A 6 -1.362 2.651 -4.142 1.00 0.00 O ATOM 82 CB LEU A 6 -3.081 4.774 -5.872 1.00 0.00 C ATOM 83 CG LEU A 6 -3.051 3.442 -6.627 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.973 2.429 -5.962 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.443 3.656 -8.081 1.00 0.00 C ATOM 0 H LEU A 6 -2.128 6.806 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.077 4.489 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.122 5.059 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.629 5.537 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.036 3.045 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.938 1.489 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.648 2.260 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.994 2.812 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.418 2.703 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.450 4.071 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.742 4.348 -8.549 1.00 0.00 H new ATOM 97 N GLY A 7 -0.014 4.324 -4.822 1.00 0.00 N ATOM 98 CA GLY A 7 1.177 3.493 -4.820 1.00 0.00 C ATOM 99 C GLY A 7 1.716 3.274 -3.420 1.00 0.00 C ATOM 100 O GLY A 7 2.182 2.186 -3.086 1.00 0.00 O ATOM 0 H GLY A 7 0.142 5.292 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.947 2.529 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.946 3.960 -5.435 1.00 0.00 H new ATOM 104 N LEU A 8 1.635 4.317 -2.603 1.00 0.00 N ATOM 105 CA LEU A 8 2.099 4.261 -1.216 1.00 0.00 C ATOM 106 C LEU A 8 1.121 3.462 -0.369 1.00 0.00 C ATOM 107 O LEU A 8 1.490 2.840 0.627 1.00 0.00 O ATOM 108 CB LEU A 8 2.215 5.672 -0.635 1.00 0.00 C ATOM 109 CG LEU A 8 2.417 6.781 -1.659 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.544 8.130 -0.968 1.00 0.00 C ATOM 111 CD2 LEU A 8 3.640 6.497 -2.522 1.00 0.00 C ATOM 0 H LEU A 8 1.249 5.221 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 8 3.077 3.780 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.312 5.887 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.049 5.691 0.067 1.00 0.00 H new ATOM 0 HG LEU A 8 1.543 6.813 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.688 8.910 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.636 8.335 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.399 8.114 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.768 7.300 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.525 6.435 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.503 5.552 -3.048 1.00 0.00 H new ATOM 123 N VAL A 9 -0.130 3.493 -0.794 1.00 0.00 N ATOM 124 CA VAL A 9 -1.208 2.797 -0.123 1.00 0.00 C ATOM 125 C VAL A 9 -1.131 1.321 -0.460 1.00 0.00 C ATOM 126 O VAL A 9 -1.180 0.461 0.417 1.00 0.00 O ATOM 127 CB VAL A 9 -2.565 3.410 -0.542 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.337 2.507 -1.498 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.403 3.738 0.684 1.00 0.00 C ATOM 0 H VAL A 9 -0.426 4.008 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.115 2.906 0.958 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.350 4.333 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.282 2.981 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.748 2.344 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.534 1.550 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.354 4.168 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.587 2.827 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.869 4.454 1.309 1.00 0.00 H new ATOM 139 N GLY A 10 -0.949 1.049 -1.743 1.00 0.00 N ATOM 140 CA GLY A 10 -0.798 -0.312 -2.195 1.00 0.00 C ATOM 141 C GLY A 10 0.522 -0.866 -1.716 1.00 0.00 C ATOM 142 O GLY A 10 0.704 -2.079 -1.622 1.00 0.00 O ATOM 0 H GLY A 10 -0.903 1.752 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.618 -0.923 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.846 -0.351 -3.283 1.00 0.00 H new ATOM 146 N SER A 11 1.445 0.044 -1.388 1.00 0.00 N ATOM 147 CA SER A 11 2.755 -0.352 -0.887 1.00 0.00 C ATOM 148 C SER A 11 2.633 -0.784 0.566 1.00 0.00 C ATOM 149 O SER A 11 3.189 -1.803 0.977 1.00 0.00 O ATOM 150 CB SER A 11 3.755 0.801 -1.011 1.00 0.00 C ATOM 151 OG SER A 11 4.675 0.566 -2.063 1.00 0.00 O ATOM 0 H SER A 11 1.306 1.052 -1.461 1.00 0.00 H new ATOM 0 HA SER A 11 3.122 -1.186 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.220 1.733 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.295 0.921 -0.072 1.00 0.00 H new ATOM 0 HG SER A 11 5.302 1.317 -2.123 1.00 0.00 H new ATOM 157 N ALA A 12 1.880 -0.004 1.335 1.00 0.00 N ATOM 158 CA ALA A 12 1.656 -0.298 2.740 1.00 0.00 C ATOM 159 C ALA A 12 0.579 -1.366 2.896 1.00 0.00 C ATOM 160 O ALA A 12 0.596 -2.146 3.848 1.00 0.00 O ATOM 161 CB ALA A 12 1.266 0.968 3.491 1.00 0.00 C ATOM 0 H ALA A 12 1.414 0.840 1.003 1.00 0.00 H new ATOM 0 HA ALA A 12 2.583 -0.680 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.102 0.731 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.066 1.703 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.351 1.377 3.064 1.00 0.00 H new ATOM 167 N LEU A 13 -0.358 -1.399 1.948 1.00 0.00 N ATOM 168 CA LEU A 13 -1.438 -2.379 1.982 1.00 0.00 C ATOM 169 C LEU A 13 -0.895 -3.779 1.753 1.00 0.00 C ATOM 170 O LEU A 13 -1.141 -4.694 2.538 1.00 0.00 O ATOM 171 CB LEU A 13 -2.457 -2.060 0.903 1.00 0.00 C ATOM 172 CG LEU A 13 -3.524 -1.035 1.292 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.478 -0.792 0.132 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.286 -1.503 2.522 1.00 0.00 C ATOM 0 H LEU A 13 -0.389 -0.761 1.152 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.911 -2.335 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.928 -1.693 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.955 -2.985 0.612 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.029 -0.094 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.230 -0.060 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.920 -0.414 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.968 -1.727 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.041 -0.763 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.771 -2.456 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.593 -1.626 3.354 1.00 0.00 H new ATOM 186 N GLY A 14 -0.127 -3.926 0.682 1.00 0.00 N ATOM 187 CA GLY A 14 0.476 -5.204 0.370 1.00 0.00 C ATOM 188 C GLY A 14 1.592 -5.521 1.340 1.00 0.00 C ATOM 189 O GLY A 14 1.996 -6.674 1.492 1.00 0.00 O ATOM 0 H GLY A 14 0.089 -3.179 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.280 -5.988 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.866 -5.189 -0.648 1.00 0.00 H new ATOM 193 N GLY A 15 2.096 -4.473 1.990 1.00 0.00 N ATOM 194 CA GLY A 15 3.180 -4.629 2.945 1.00 0.00 C ATOM 195 C GLY A 15 2.840 -5.581 4.075 1.00 0.00 C ATOM 196 O GLY A 15 3.514 -6.594 4.264 1.00 0.00 O ATOM 0 H GLY A 15 1.770 -3.514 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.066 -4.993 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.433 -3.654 3.362 1.00 0.00 H new ATOM 200 N LEU A 16 1.784 -5.268 4.819 1.00 0.00 N ATOM 201 CA LEU A 16 1.352 -6.114 5.922 1.00 0.00 C ATOM 202 C LEU A 16 0.640 -7.340 5.375 1.00 0.00 C ATOM 203 O LEU A 16 0.480 -8.347 6.065 1.00 0.00 O ATOM 204 CB LEU A 16 0.420 -5.338 6.856 1.00 0.00 C ATOM 205 CG LEU A 16 0.596 -5.639 8.345 1.00 0.00 C ATOM 206 CD1 LEU A 16 0.472 -7.132 8.606 1.00 0.00 C ATOM 207 CD2 LEU A 16 1.938 -5.119 8.838 1.00 0.00 C ATOM 0 H LEU A 16 1.213 -4.435 4.677 1.00 0.00 H new ATOM 0 HA LEU A 16 2.227 -6.429 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.576 -4.271 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.611 -5.554 6.577 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.194 -5.128 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.600 -7.327 9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.513 -7.476 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.240 -7.664 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.047 -5.342 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.742 -5.601 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.988 -4.041 8.686 1.00 0.00 H new ATOM 219 N LEU A 17 0.214 -7.237 4.121 1.00 0.00 N ATOM 220 CA LEU A 17 -0.486 -8.315 3.455 1.00 0.00 C ATOM 221 C LEU A 17 0.422 -9.529 3.270 1.00 0.00 C ATOM 222 O LEU A 17 0.099 -10.632 3.707 1.00 0.00 O ATOM 223 CB LEU A 17 -0.999 -7.829 2.098 1.00 0.00 C ATOM 224 CG LEU A 17 -2.516 -7.863 1.919 1.00 0.00 C ATOM 225 CD1 LEU A 17 -3.211 -7.189 3.093 1.00 0.00 C ATOM 226 CD2 LEU A 17 -2.910 -7.196 0.609 1.00 0.00 C ATOM 0 H LEU A 17 0.346 -6.406 3.545 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.328 -8.618 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.655 -6.806 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.545 -8.439 1.317 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.836 -8.905 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.290 -7.224 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.954 -7.709 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.888 -6.150 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.994 -7.228 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.576 -6.158 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.443 -7.723 -0.223 1.00 0.00 H new ATOM 238 N LYS A 18 1.559 -9.313 2.612 1.00 0.00 N ATOM 239 CA LYS A 18 2.516 -10.386 2.358 1.00 0.00 C ATOM 240 C LYS A 18 3.437 -10.615 3.544 1.00 0.00 C ATOM 241 O LYS A 18 4.260 -11.530 3.525 1.00 0.00 O ATOM 242 CB LYS A 18 3.322 -10.091 1.080 1.00 0.00 C ATOM 243 CG LYS A 18 4.682 -9.436 1.312 1.00 0.00 C ATOM 244 CD LYS A 18 5.824 -10.420 1.087 1.00 0.00 C ATOM 245 CE LYS A 18 6.563 -10.737 2.380 1.00 0.00 C ATOM 246 NZ LYS A 18 8.032 -10.529 2.249 1.00 0.00 N ATOM 0 H LYS A 18 1.840 -8.404 2.245 1.00 0.00 H new ATOM 0 HA LYS A 18 1.953 -11.307 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.473 -11.026 0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.728 -9.443 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.796 -8.585 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.731 -9.048 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.430 -11.342 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.523 -10.005 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.178 -10.107 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.367 -11.771 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.526 -11.071 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.346 -10.852 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.251 -9.518 2.358 1.00 0.00 H new ATOM 260 N LYS A 19 3.315 -9.786 4.571 1.00 0.00 N ATOM 261 CA LYS A 19 4.171 -9.930 5.726 1.00 0.00 C ATOM 262 C LYS A 19 3.863 -11.190 6.513 1.00 0.00 C ATOM 263 O LYS A 19 2.707 -11.576 6.681 1.00 0.00 O ATOM 264 CB LYS A 19 4.122 -8.694 6.621 1.00 0.00 C ATOM 265 CG LYS A 19 5.409 -7.878 6.579 1.00 0.00 C ATOM 266 CD LYS A 19 6.642 -8.751 6.800 1.00 0.00 C ATOM 267 CE LYS A 19 7.100 -9.432 5.512 1.00 0.00 C ATOM 268 NZ LYS A 19 8.551 -9.217 5.253 1.00 0.00 N ATOM 0 H LYS A 19 2.642 -9.021 4.623 1.00 0.00 H new ATOM 0 HA LYS A 19 5.189 -10.027 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.288 -8.063 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.927 -9.003 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.488 -7.374 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.372 -7.101 7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.453 -8.139 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.420 -9.509 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.898 -10.501 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.521 -9.047 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.893 -9.931 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.695 -8.268 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.079 -9.302 6.145 1.00 0.00 H new ATOM 282 N ILE A 20 4.928 -11.835 6.974 1.00 0.00 N ATOM 283 CA ILE A 20 4.815 -13.066 7.728 1.00 0.00 C ATOM 284 C ILE A 20 4.246 -12.821 9.121 1.00 0.00 C ATOM 285 O ILE A 20 3.220 -13.450 9.459 1.00 0.00 O ATOM 286 CB ILE A 20 6.173 -13.770 7.851 1.00 0.00 C ATOM 287 CG1 ILE A 20 6.886 -13.801 6.494 1.00 0.00 C ATOM 288 CG2 ILE A 20 5.994 -15.177 8.401 1.00 0.00 C ATOM 289 CD1 ILE A 20 8.219 -13.085 6.495 1.00 0.00 C ATOM 290 OXT ILE A 20 4.830 -12.005 9.863 1.00 0.00 O ATOM 0 H ILE A 20 5.887 -11.517 6.834 1.00 0.00 H new ATOM 0 HA ILE A 20 4.128 -13.709 7.177 1.00 0.00 H new ATOM 0 HB ILE A 20 6.794 -13.208 8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.040 -14.838 6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.240 -13.347 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.967 -15.662 8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.531 -15.126 9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.356 -15.752 7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.666 -13.147 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.070 -12.038 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.883 -13.553 7.222 1.00 0.00 H new TER 302 ILE A 20