USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 168:sc= -0.0533 (180deg=-0.242) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 155:sc= -0.903 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -2.04 K(o=-2,f=-5.9!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -45:sc= 0.28 USER MOD Single : A 16 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-1.9) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.367 -1.801 0.306 1.00 25.23 N ATOM 2 CA LYS A 1 1.507 -1.324 -0.468 1.00 52.13 C ATOM 3 C LYS A 1 2.455 -2.470 -0.804 1.00 23.42 C ATOM 4 O LYS A 1 3.648 -2.258 -1.024 1.00 10.11 O ATOM 5 CB LYS A 1 2.257 -0.237 0.306 1.00 72.43 C ATOM 6 CG LYS A 1 2.880 0.823 -0.585 1.00 2.42 C ATOM 7 CD LYS A 1 3.410 1.993 0.228 1.00 72.10 C ATOM 8 CE LYS A 1 4.346 2.865 -0.594 1.00 64.55 C ATOM 9 NZ LYS A 1 5.697 2.966 0.025 1.00 71.31 N ATOM 0 H1 LYS A 1 -0.153 -0.989 0.694 1.00 25.23 H new ATOM 0 H2 LYS A 1 -0.263 -2.354 -0.309 1.00 25.23 H new ATOM 0 H3 LYS A 1 0.704 -2.401 1.086 1.00 25.23 H new ATOM 0 HA LYS A 1 1.130 -0.903 -1.400 1.00 52.13 H new ATOM 0 HB2 LYS A 1 1.568 0.243 1.001 1.00 72.43 H new ATOM 0 HB3 LYS A 1 3.040 -0.703 0.904 1.00 72.43 H new ATOM 0 HG2 LYS A 1 3.692 0.382 -1.163 1.00 2.42 H new ATOM 0 HG3 LYS A 1 2.139 1.181 -1.299 1.00 2.42 H new ATOM 0 HD2 LYS A 1 2.575 2.594 0.590 1.00 72.10 H new ATOM 0 HD3 LYS A 1 3.937 1.618 1.106 1.00 72.10 H new ATOM 0 HE2 LYS A 1 4.437 2.453 -1.599 1.00 64.55 H new ATOM 0 HE3 LYS A 1 3.918 3.862 -0.696 1.00 64.55 H new ATOM 0 HZ1 LYS A 1 6.305 3.569 -0.565 1.00 71.31 H new ATOM 0 HZ2 LYS A 1 5.614 3.383 0.974 1.00 71.31 H new ATOM 0 HZ3 LYS A 1 6.117 2.017 0.099 1.00 71.31 H new ATOM 23 N TYR A 2 1.918 -3.685 -0.843 1.00 11.54 N ATOM 24 CA TYR A 2 2.717 -4.865 -1.151 1.00 10.44 C ATOM 25 C TYR A 2 2.238 -5.525 -2.440 1.00 23.43 C ATOM 26 O TYR A 2 2.985 -6.256 -3.089 1.00 63.13 O ATOM 27 CB TYR A 2 2.652 -5.866 0.004 1.00 73.03 C ATOM 28 CG TYR A 2 3.847 -6.789 0.073 1.00 61.44 C ATOM 29 CD1 TYR A 2 4.789 -6.663 1.086 1.00 64.00 C ATOM 30 CD2 TYR A 2 4.035 -7.787 -0.876 1.00 31.23 C ATOM 31 CE1 TYR A 2 5.884 -7.504 1.153 1.00 54.23 C ATOM 32 CE2 TYR A 2 5.125 -8.633 -0.816 1.00 21.30 C ATOM 33 CZ TYR A 2 6.047 -8.488 0.200 1.00 53.42 C ATOM 34 OH TYR A 2 7.135 -9.328 0.262 1.00 51.40 O ATOM 0 H TYR A 2 0.932 -3.878 -0.665 1.00 11.54 H new ATOM 0 HA TYR A 2 3.751 -4.548 -1.289 1.00 10.44 H new ATOM 0 HB2 TYR A 2 2.571 -5.319 0.943 1.00 73.03 H new ATOM 0 HB3 TYR A 2 1.746 -6.464 -0.095 1.00 73.03 H new ATOM 0 HD1 TYR A 2 4.664 -5.894 1.834 1.00 64.00 H new ATOM 0 HD2 TYR A 2 3.316 -7.903 -1.674 1.00 31.23 H new ATOM 0 HE1 TYR A 2 6.608 -7.391 1.947 1.00 54.23 H new ATOM 0 HE2 TYR A 2 5.255 -9.404 -1.561 1.00 21.30 H new ATOM 0 HH TYR A 2 6.921 -10.174 -0.184 1.00 51.40 H new ATOM 44 N GLU A 3 0.987 -5.261 -2.803 1.00 60.50 N ATOM 45 CA GLU A 3 0.408 -5.830 -4.014 1.00 71.43 C ATOM 46 C GLU A 3 1.407 -5.788 -5.167 1.00 21.31 C ATOM 47 O GLU A 3 2.082 -6.778 -5.453 1.00 42.42 O ATOM 48 CB GLU A 3 -0.865 -5.075 -4.401 1.00 34.11 C ATOM 49 CG GLU A 3 -2.065 -5.421 -3.535 1.00 71.42 C ATOM 50 CD GLU A 3 -3.322 -4.687 -3.960 1.00 11.05 C ATOM 51 OE1 GLU A 3 -3.386 -4.247 -5.127 1.00 1.14 O ATOM 52 OE2 GLU A 3 -4.241 -4.552 -3.125 1.00 73.13 O ATOM 0 H GLU A 3 0.356 -4.657 -2.276 1.00 60.50 H new ATOM 0 HA GLU A 3 0.157 -6.871 -3.811 1.00 71.43 H new ATOM 0 HB2 GLU A 3 -0.676 -4.004 -4.334 1.00 34.11 H new ATOM 0 HB3 GLU A 3 -1.104 -5.292 -5.442 1.00 34.11 H new ATOM 0 HG2 GLU A 3 -2.243 -6.495 -3.580 1.00 71.42 H new ATOM 0 HG3 GLU A 3 -1.841 -5.178 -2.496 1.00 71.42 H new ATOM 59 N ILE A 4 1.495 -4.637 -5.824 1.00 51.02 N ATOM 60 CA ILE A 4 2.411 -4.465 -6.945 1.00 22.54 C ATOM 61 C ILE A 4 3.183 -3.156 -6.828 1.00 3.31 C ATOM 62 O ILE A 4 4.328 -3.054 -7.271 1.00 72.43 O ATOM 63 CB ILE A 4 1.665 -4.490 -8.291 1.00 55.14 C ATOM 64 CG1 ILE A 4 2.660 -4.569 -9.450 1.00 65.52 C ATOM 65 CG2 ILE A 4 0.780 -3.260 -8.429 1.00 44.52 C ATOM 66 CD1 ILE A 4 2.043 -4.273 -10.799 1.00 61.30 C ATOM 0 H ILE A 4 0.943 -3.809 -5.600 1.00 51.02 H new ATOM 0 HA ILE A 4 3.110 -5.300 -6.912 1.00 22.54 H new ATOM 0 HB ILE A 4 1.031 -5.376 -8.321 1.00 55.14 H new ATOM 0 HG12 ILE A 4 3.472 -3.865 -9.269 1.00 65.52 H new ATOM 0 HG13 ILE A 4 3.101 -5.566 -9.472 1.00 65.52 H new ATOM 0 HG21 ILE A 4 0.259 -3.292 -9.386 1.00 44.52 H new ATOM 0 HG22 ILE A 4 0.051 -3.244 -7.619 1.00 44.52 H new ATOM 0 HG23 ILE A 4 1.395 -2.362 -8.381 1.00 44.52 H new ATOM 0 HD11 ILE A 4 2.807 -4.348 -11.573 1.00 61.30 H new ATOM 0 HD12 ILE A 4 1.250 -4.992 -11.002 1.00 61.30 H new ATOM 0 HD13 ILE A 4 1.627 -3.265 -10.796 1.00 61.30 H new ATOM 78 N THR A 5 2.550 -2.153 -6.226 1.00 62.41 N ATOM 79 CA THR A 5 3.177 -0.850 -6.050 1.00 0.52 C ATOM 80 C THR A 5 4.631 -0.993 -5.614 1.00 13.22 C ATOM 81 O THR A 5 5.482 -0.181 -5.977 1.00 42.32 O ATOM 82 CB THR A 5 2.423 0.001 -5.010 1.00 74.51 C ATOM 83 OG1 THR A 5 2.852 1.364 -5.088 1.00 13.40 O ATOM 84 CG2 THR A 5 2.657 -0.531 -3.604 1.00 52.30 C ATOM 0 H THR A 5 1.603 -2.219 -5.852 1.00 62.41 H new ATOM 0 HA THR A 5 3.138 -0.348 -7.017 1.00 0.52 H new ATOM 0 HB THR A 5 1.357 -0.056 -5.230 1.00 74.51 H new ATOM 0 HG1 THR A 5 2.367 1.898 -4.425 1.00 13.40 H new ATOM 0 HG21 THR A 5 2.115 0.085 -2.887 1.00 52.30 H new ATOM 0 HG22 THR A 5 2.301 -1.559 -3.540 1.00 52.30 H new ATOM 0 HG23 THR A 5 3.722 -0.501 -3.376 1.00 52.30 H new ATOM 92 N THR A 6 4.910 -2.032 -4.833 1.00 11.45 N ATOM 93 CA THR A 6 6.261 -2.281 -4.347 1.00 21.15 C ATOM 94 C THR A 6 6.753 -3.660 -4.772 1.00 53.23 C ATOM 95 O THR A 6 7.957 -3.907 -4.835 1.00 23.32 O ATOM 96 CB THR A 6 6.335 -2.174 -2.812 1.00 12.23 C ATOM 97 OG1 THR A 6 7.644 -1.752 -2.412 1.00 55.34 O ATOM 98 CG2 THR A 6 6.006 -3.508 -2.159 1.00 72.15 C ATOM 0 H THR A 6 4.218 -2.714 -4.524 1.00 11.45 H new ATOM 0 HA THR A 6 6.901 -1.517 -4.789 1.00 21.15 H new ATOM 0 HB THR A 6 5.601 -1.437 -2.487 1.00 12.23 H new ATOM 0 HG1 THR A 6 7.682 -1.685 -1.435 1.00 55.34 H new ATOM 0 HG21 THR A 6 6.065 -3.407 -1.075 1.00 72.15 H new ATOM 0 HG22 THR A 6 4.998 -3.812 -2.441 1.00 72.15 H new ATOM 0 HG23 THR A 6 6.719 -4.262 -2.492 1.00 72.15 H new ATOM 106 N ILE A 7 5.814 -4.553 -5.065 1.00 32.32 N ATOM 107 CA ILE A 7 6.153 -5.907 -5.487 1.00 12.34 C ATOM 108 C ILE A 7 7.149 -5.889 -6.641 1.00 71.42 C ATOM 109 O ILE A 7 8.075 -6.699 -6.688 1.00 62.45 O ATOM 110 CB ILE A 7 4.900 -6.693 -5.916 1.00 21.00 C ATOM 111 CG1 ILE A 7 4.923 -8.099 -5.314 1.00 31.51 C ATOM 112 CG2 ILE A 7 4.812 -6.762 -7.433 1.00 41.22 C ATOM 113 CD1 ILE A 7 5.027 -8.109 -3.805 1.00 24.21 C ATOM 0 H ILE A 7 4.813 -4.364 -5.018 1.00 32.32 H new ATOM 0 HA ILE A 7 6.605 -6.402 -4.628 1.00 12.34 H new ATOM 0 HB ILE A 7 4.017 -6.173 -5.544 1.00 21.00 H new ATOM 0 HG12 ILE A 7 4.017 -8.627 -5.611 1.00 31.51 H new ATOM 0 HG13 ILE A 7 5.765 -8.651 -5.732 1.00 31.51 H new ATOM 0 HG21 ILE A 7 3.921 -7.321 -7.721 1.00 41.22 H new ATOM 0 HG22 ILE A 7 4.755 -5.753 -7.840 1.00 41.22 H new ATOM 0 HG23 ILE A 7 5.697 -7.262 -7.826 1.00 41.22 H new ATOM 0 HD11 ILE A 7 5.038 -9.139 -3.448 1.00 24.21 H new ATOM 0 HD12 ILE A 7 5.947 -7.609 -3.500 1.00 24.21 H new ATOM 0 HD13 ILE A 7 4.171 -7.586 -3.378 1.00 24.21 H new ATOM 125 N HIS A 8 6.953 -4.959 -7.571 1.00 21.35 N ATOM 126 CA HIS A 8 7.836 -4.834 -8.725 1.00 21.32 C ATOM 127 C HIS A 8 9.291 -4.704 -8.284 1.00 60.34 C ATOM 128 O HIS A 8 10.209 -5.010 -9.044 1.00 30.30 O ATOM 129 CB HIS A 8 7.437 -3.624 -9.570 1.00 71.31 C ATOM 130 CG HIS A 8 7.695 -2.312 -8.897 1.00 2.34 C ATOM 131 ND1 HIS A 8 7.707 -2.158 -7.526 1.00 71.43 N ATOM 132 CD2 HIS A 8 7.954 -1.088 -9.413 1.00 3.41 C ATOM 133 CE1 HIS A 8 7.960 -0.896 -7.229 1.00 22.41 C ATOM 134 NE2 HIS A 8 8.115 -0.226 -8.356 1.00 51.41 N ATOM 0 H HIS A 8 6.191 -4.281 -7.548 1.00 21.35 H new ATOM 0 HA HIS A 8 7.737 -5.737 -9.327 1.00 21.32 H new ATOM 0 HB2 HIS A 8 7.984 -3.653 -10.512 1.00 71.31 H new ATOM 0 HB3 HIS A 8 6.377 -3.695 -9.814 1.00 71.31 H new ATOM 0 HD2 HIS A 8 8.022 -0.836 -10.461 1.00 3.41 H new ATOM 0 HE1 HIS A 8 8.028 -0.483 -6.234 1.00 22.41 H new ATOM 0 HE2 HIS A 8 8.321 0.770 -8.430 1.00 51.41 H new ATOM 142 N ASN A 9 9.493 -4.248 -7.053 1.00 11.34 N ATOM 143 CA ASN A 9 10.836 -4.076 -6.512 1.00 3.13 C ATOM 144 C ASN A 9 11.287 -5.329 -5.766 1.00 51.53 C ATOM 145 O ASN A 9 12.473 -5.659 -5.745 1.00 43.21 O ATOM 146 CB ASN A 9 10.881 -2.867 -5.574 1.00 74.44 C ATOM 147 CG ASN A 9 12.024 -1.925 -5.899 1.00 73.34 C ATOM 148 OD1 ASN A 9 12.133 -1.428 -7.020 1.00 65.13 O ATOM 149 ND2 ASN A 9 12.882 -1.676 -4.917 1.00 40.13 N ATOM 0 H ASN A 9 8.744 -3.991 -6.411 1.00 11.34 H new ATOM 0 HA ASN A 9 11.517 -3.906 -7.346 1.00 3.13 H new ATOM 0 HB2 ASN A 9 9.938 -2.325 -5.639 1.00 74.44 H new ATOM 0 HB3 ASN A 9 10.980 -3.213 -4.545 1.00 74.44 H new ATOM 0 HD21 ASN A 9 13.671 -1.050 -5.076 1.00 40.13 H new ATOM 0 HD22 ASN A 9 12.752 -2.111 -4.004 1.00 40.13 H new ATOM 156 N LEU A 10 10.332 -6.022 -5.156 1.00 65.52 N ATOM 157 CA LEU A 10 10.630 -7.240 -4.410 1.00 10.14 C ATOM 158 C LEU A 10 10.679 -8.450 -5.338 1.00 11.55 C ATOM 159 O LEU A 10 11.344 -9.443 -5.045 1.00 33.55 O ATOM 160 CB LEU A 10 9.581 -7.462 -3.319 1.00 0.14 C ATOM 161 CG LEU A 10 9.542 -8.860 -2.700 1.00 13.54 C ATOM 162 CD1 LEU A 10 10.349 -8.896 -1.412 1.00 4.24 C ATOM 163 CD2 LEU A 10 8.105 -9.289 -2.442 1.00 55.43 C ATOM 0 H LEU A 10 9.346 -5.762 -5.163 1.00 65.52 H new ATOM 0 HA LEU A 10 11.609 -7.122 -3.946 1.00 10.14 H new ATOM 0 HB2 LEU A 10 9.755 -6.739 -2.523 1.00 0.14 H new ATOM 0 HB3 LEU A 10 8.599 -7.244 -3.738 1.00 0.14 H new ATOM 0 HG LEU A 10 9.989 -9.561 -3.405 1.00 13.54 H new ATOM 0 HD11 LEU A 10 10.310 -9.898 -0.986 1.00 4.24 H new ATOM 0 HD12 LEU A 10 11.385 -8.632 -1.624 1.00 4.24 H new ATOM 0 HD13 LEU A 10 9.932 -8.183 -0.701 1.00 4.24 H new ATOM 0 HD21 LEU A 10 8.096 -10.286 -2.002 1.00 55.43 H new ATOM 0 HD22 LEU A 10 7.633 -8.585 -1.757 1.00 55.43 H new ATOM 0 HD23 LEU A 10 7.555 -9.303 -3.383 1.00 55.43 H new ATOM 175 N PHE A 11 9.972 -8.357 -6.459 1.00 61.31 N ATOM 176 CA PHE A 11 9.936 -9.444 -7.431 1.00 53.53 C ATOM 177 C PHE A 11 11.308 -10.096 -7.570 1.00 1.14 C ATOM 178 O PHE A 11 12.245 -9.491 -8.091 1.00 2.13 O ATOM 179 CB PHE A 11 9.466 -8.923 -8.792 1.00 25.34 C ATOM 180 CG PHE A 11 7.981 -9.018 -8.990 1.00 33.52 C ATOM 181 CD1 PHE A 11 7.326 -8.149 -9.847 1.00 34.10 C ATOM 182 CD2 PHE A 11 7.239 -9.977 -8.318 1.00 71.13 C ATOM 183 CE1 PHE A 11 5.958 -8.234 -10.032 1.00 24.21 C ATOM 184 CE2 PHE A 11 5.872 -10.067 -8.500 1.00 32.25 C ATOM 185 CZ PHE A 11 5.231 -9.194 -9.356 1.00 55.04 C ATOM 0 H PHE A 11 9.417 -7.541 -6.717 1.00 61.31 H new ATOM 0 HA PHE A 11 9.232 -10.195 -7.073 1.00 53.53 H new ATOM 0 HB2 PHE A 11 9.773 -7.883 -8.899 1.00 25.34 H new ATOM 0 HB3 PHE A 11 9.966 -9.486 -9.580 1.00 25.34 H new ATOM 0 HD1 PHE A 11 7.890 -7.396 -10.377 1.00 34.10 H new ATOM 0 HD2 PHE A 11 7.735 -10.661 -7.645 1.00 71.13 H new ATOM 0 HE1 PHE A 11 5.459 -7.551 -10.704 1.00 24.21 H new ATOM 0 HE2 PHE A 11 5.305 -10.820 -7.973 1.00 32.25 H new ATOM 0 HZ PHE A 11 4.162 -9.262 -9.497 1.00 55.04 H new ATOM 195 N ARG A 12 11.418 -11.334 -7.098 1.00 44.34 N ATOM 196 CA ARG A 12 12.676 -12.068 -7.167 1.00 71.23 C ATOM 197 C ARG A 12 13.230 -12.065 -8.589 1.00 4.42 C ATOM 198 O ARG A 12 14.385 -11.702 -8.816 1.00 12.41 O ATOM 199 CB ARG A 12 12.477 -13.508 -6.690 1.00 10.13 C ATOM 200 CG ARG A 12 11.633 -13.621 -5.431 1.00 2.24 C ATOM 201 CD ARG A 12 11.953 -12.509 -4.444 1.00 51.51 C ATOM 202 NE ARG A 12 11.795 -12.943 -3.059 1.00 21.41 N ATOM 203 CZ ARG A 12 12.190 -12.225 -2.014 1.00 25.34 C ATOM 204 NH1 ARG A 12 12.764 -11.044 -2.196 1.00 14.45 N ATOM 205 NH2 ARG A 12 12.012 -12.689 -0.783 1.00 43.21 N ATOM 0 H ARG A 12 10.652 -11.849 -6.664 1.00 44.34 H new ATOM 0 HA ARG A 12 13.394 -11.571 -6.514 1.00 71.23 H new ATOM 0 HB2 ARG A 12 12.005 -14.084 -7.486 1.00 10.13 H new ATOM 0 HB3 ARG A 12 13.452 -13.959 -6.505 1.00 10.13 H new ATOM 0 HG2 ARG A 12 10.576 -13.581 -5.695 1.00 2.24 H new ATOM 0 HG3 ARG A 12 11.808 -14.588 -4.960 1.00 2.24 H new ATOM 0 HD2 ARG A 12 12.976 -12.168 -4.602 1.00 51.51 H new ATOM 0 HD3 ARG A 12 11.300 -11.657 -4.634 1.00 51.51 H new ATOM 0 HE ARG A 12 11.357 -13.848 -2.884 1.00 21.41 H new ATOM 0 HH11 ARG A 12 12.903 -10.685 -3.140 1.00 14.45 H new ATOM 0 HH12 ARG A 12 13.066 -10.495 -1.392 1.00 14.45 H new ATOM 0 HH21 ARG A 12 11.572 -13.598 -0.639 1.00 43.21 H new ATOM 0 HH22 ARG A 12 12.316 -12.137 0.019 1.00 43.21 H new ATOM 219 N LYS A 13 12.400 -12.472 -9.543 1.00 44.32 N ATOM 220 CA LYS A 13 12.806 -12.515 -10.943 1.00 73.31 C ATOM 221 C LYS A 13 12.080 -11.446 -11.753 1.00 73.13 C ATOM 222 O LYS A 13 12.578 -10.331 -11.917 1.00 31.53 O ATOM 223 CB LYS A 13 12.523 -13.898 -11.534 1.00 71.25 C ATOM 224 CG LYS A 13 11.770 -14.821 -10.591 1.00 51.55 C ATOM 225 CD LYS A 13 12.693 -15.422 -9.544 1.00 55.54 C ATOM 226 CE LYS A 13 13.838 -16.190 -10.186 1.00 1.52 C ATOM 227 NZ LYS A 13 15.148 -15.513 -9.972 1.00 75.31 N ATOM 0 H LYS A 13 11.442 -12.777 -9.372 1.00 44.32 H new ATOM 0 HA LYS A 13 13.877 -12.317 -10.992 1.00 73.31 H new ATOM 0 HB2 LYS A 13 11.946 -13.781 -12.451 1.00 71.25 H new ATOM 0 HB3 LYS A 13 13.468 -14.366 -11.809 1.00 71.25 H new ATOM 0 HG2 LYS A 13 10.971 -14.266 -10.098 1.00 51.55 H new ATOM 0 HG3 LYS A 13 11.298 -15.620 -11.163 1.00 51.55 H new ATOM 0 HD2 LYS A 13 13.094 -14.629 -8.913 1.00 55.54 H new ATOM 0 HD3 LYS A 13 12.124 -16.089 -8.896 1.00 55.54 H new ATOM 0 HE2 LYS A 13 13.878 -17.197 -9.771 1.00 1.52 H new ATOM 0 HE3 LYS A 13 13.652 -16.293 -11.255 1.00 1.52 H new ATOM 0 HZ1 LYS A 13 15.903 -16.067 -10.424 1.00 75.31 H new ATOM 0 HZ2 LYS A 13 15.119 -14.561 -10.390 1.00 75.31 H new ATOM 0 HZ3 LYS A 13 15.337 -15.438 -8.952 1.00 75.31 H new ATOM 241 N LEU A 14 10.900 -11.792 -12.257 1.00 42.43 N ATOM 242 CA LEU A 14 10.104 -10.860 -13.050 1.00 23.54 C ATOM 243 C LEU A 14 8.790 -10.534 -12.348 1.00 72.10 C ATOM 244 O LEU A 14 8.691 -9.547 -11.618 1.00 32.31 O ATOM 245 CB LEU A 14 9.825 -11.448 -14.434 1.00 53.31 C ATOM 246 CG LEU A 14 8.748 -10.740 -15.258 1.00 63.32 C ATOM 247 CD1 LEU A 14 9.359 -10.094 -16.492 1.00 4.23 C ATOM 248 CD2 LEU A 14 7.651 -11.718 -15.654 1.00 44.12 C ATOM 0 H LEU A 14 10.473 -12.710 -12.131 1.00 42.43 H new ATOM 0 HA LEU A 14 10.673 -9.937 -13.162 1.00 23.54 H new ATOM 0 HB2 LEU A 14 10.754 -11.441 -15.004 1.00 53.31 H new ATOM 0 HB3 LEU A 14 9.534 -12.491 -14.312 1.00 53.31 H new ATOM 0 HG LEU A 14 8.305 -9.956 -14.644 1.00 63.32 H new ATOM 0 HD11 LEU A 14 8.578 -9.595 -17.066 1.00 4.23 H new ATOM 0 HD12 LEU A 14 10.108 -9.363 -16.187 1.00 4.23 H new ATOM 0 HD13 LEU A 14 9.829 -10.860 -17.109 1.00 4.23 H new ATOM 0 HD21 LEU A 14 6.893 -11.197 -16.240 1.00 44.12 H new ATOM 0 HD22 LEU A 14 8.080 -12.524 -16.250 1.00 44.12 H new ATOM 0 HD23 LEU A 14 7.193 -12.134 -14.757 1.00 44.12 H new ATOM 260 N THR A 15 7.781 -11.371 -12.573 1.00 4.15 N ATOM 261 CA THR A 15 6.473 -11.173 -11.962 1.00 1.53 C ATOM 262 C THR A 15 5.977 -12.452 -11.297 1.00 52.44 C ATOM 263 O THR A 15 5.869 -12.526 -10.073 1.00 3.21 O ATOM 264 CB THR A 15 5.433 -10.710 -12.999 1.00 40.53 C ATOM 265 OG1 THR A 15 5.598 -9.313 -13.269 1.00 11.24 O ATOM 266 CG2 THR A 15 4.019 -10.972 -12.503 1.00 3.14 C ATOM 0 H THR A 15 7.845 -12.192 -13.174 1.00 4.15 H new ATOM 0 HA THR A 15 6.592 -10.397 -11.206 1.00 1.53 H new ATOM 0 HB THR A 15 5.590 -11.278 -13.916 1.00 40.53 H new ATOM 0 HG1 THR A 15 5.717 -8.829 -12.425 1.00 11.24 H new ATOM 0 HG21 THR A 15 3.302 -10.636 -13.253 1.00 3.14 H new ATOM 0 HG22 THR A 15 3.887 -12.040 -12.327 1.00 3.14 H new ATOM 0 HG23 THR A 15 3.853 -10.428 -11.573 1.00 3.14 H new ATOM 274 N HIS A 16 5.676 -13.458 -12.112 1.00 51.12 N ATOM 275 CA HIS A 16 5.192 -14.736 -11.602 1.00 52.14 C ATOM 276 C HIS A 16 5.981 -15.895 -12.204 1.00 54.14 C ATOM 277 O HIS A 16 5.611 -17.058 -12.046 1.00 21.44 O ATOM 278 CB HIS A 16 3.704 -14.902 -11.912 1.00 14.44 C ATOM 279 CG HIS A 16 3.325 -14.456 -13.291 1.00 21.15 C ATOM 280 ND1 HIS A 16 4.129 -14.656 -14.393 1.00 73.01 N ATOM 281 CD2 HIS A 16 2.220 -13.819 -13.743 1.00 11.01 C ATOM 282 CE1 HIS A 16 3.535 -14.159 -15.464 1.00 20.53 C ATOM 283 NE2 HIS A 16 2.375 -13.646 -15.096 1.00 72.14 N ATOM 0 H HIS A 16 5.759 -13.413 -13.128 1.00 51.12 H new ATOM 0 HA HIS A 16 5.334 -14.745 -10.521 1.00 52.14 H new ATOM 0 HB2 HIS A 16 3.431 -15.950 -11.790 1.00 14.44 H new ATOM 0 HB3 HIS A 16 3.124 -14.335 -11.184 1.00 14.44 H new ATOM 0 HD2 HIS A 16 1.374 -13.505 -13.150 1.00 11.01 H new ATOM 0 HE1 HIS A 16 3.931 -14.170 -16.469 1.00 20.53 H new ATOM 0 HE2 HIS A 16 1.703 -13.194 -15.717 1.00 72.14 H new ATOM 291 N ARG A 17 7.068 -15.569 -12.896 1.00 14.51 N ATOM 292 CA ARG A 17 7.907 -16.582 -13.523 1.00 70.21 C ATOM 293 C ARG A 17 8.030 -17.814 -12.631 1.00 60.12 C ATOM 294 O ARG A 17 7.321 -18.804 -12.820 1.00 2.32 O ATOM 295 CB ARG A 17 9.296 -16.013 -13.819 1.00 53.03 C ATOM 296 CG ARG A 17 10.250 -17.024 -14.434 1.00 11.11 C ATOM 297 CD ARG A 17 9.890 -17.321 -15.881 1.00 62.03 C ATOM 298 NE ARG A 17 10.214 -18.695 -16.255 1.00 24.11 N ATOM 299 CZ ARG A 17 9.435 -19.735 -15.980 1.00 11.14 C ATOM 300 NH1 ARG A 17 8.292 -19.558 -15.332 1.00 55.42 N ATOM 301 NH2 ARG A 17 9.798 -20.955 -16.353 1.00 25.33 N ATOM 0 H ARG A 17 7.388 -14.611 -13.036 1.00 14.51 H new ATOM 0 HA ARG A 17 7.436 -16.878 -14.460 1.00 70.21 H new ATOM 0 HB2 ARG A 17 9.195 -15.164 -14.495 1.00 53.03 H new ATOM 0 HB3 ARG A 17 9.729 -15.634 -12.893 1.00 53.03 H new ATOM 0 HG2 ARG A 17 11.270 -16.642 -14.383 1.00 11.11 H new ATOM 0 HG3 ARG A 17 10.226 -17.947 -13.855 1.00 11.11 H new ATOM 0 HD2 ARG A 17 8.825 -17.146 -16.033 1.00 62.03 H new ATOM 0 HD3 ARG A 17 10.423 -16.632 -16.536 1.00 62.03 H new ATOM 0 HE ARG A 17 11.087 -18.865 -16.755 1.00 24.11 H new ATOM 0 HH11 ARG A 17 8.009 -18.621 -15.043 1.00 55.42 H new ATOM 0 HH12 ARG A 17 7.696 -20.358 -15.122 1.00 55.42 H new ATOM 0 HH21 ARG A 17 10.677 -21.096 -16.852 1.00 25.33 H new ATOM 0 HH22 ARG A 17 9.199 -21.753 -16.141 1.00 25.33 H new ATOM 315 N LEU A 18 8.934 -17.747 -11.660 1.00 60.02 N ATOM 316 CA LEU A 18 9.151 -18.857 -10.739 1.00 11.03 C ATOM 317 C LEU A 18 9.112 -18.378 -9.291 1.00 31.31 C ATOM 318 O LEU A 18 10.036 -18.630 -8.518 1.00 4.23 O ATOM 319 CB LEU A 18 10.493 -19.532 -11.029 1.00 13.33 C ATOM 320 CG LEU A 18 11.736 -18.661 -10.843 1.00 31.14 C ATOM 321 CD1 LEU A 18 12.839 -19.447 -10.152 1.00 24.04 C ATOM 322 CD2 LEU A 18 12.218 -18.127 -12.183 1.00 44.32 C ATOM 0 H LEU A 18 9.529 -16.936 -11.490 1.00 60.02 H new ATOM 0 HA LEU A 18 8.349 -19.580 -10.885 1.00 11.03 H new ATOM 0 HB2 LEU A 18 10.585 -20.405 -10.383 1.00 13.33 H new ATOM 0 HB3 LEU A 18 10.479 -19.896 -12.056 1.00 13.33 H new ATOM 0 HG LEU A 18 11.471 -17.813 -10.211 1.00 31.14 H new ATOM 0 HD11 LEU A 18 13.716 -18.811 -10.028 1.00 24.04 H new ATOM 0 HD12 LEU A 18 12.491 -19.780 -9.174 1.00 24.04 H new ATOM 0 HD13 LEU A 18 13.102 -20.314 -10.758 1.00 24.04 H new ATOM 0 HD21 LEU A 18 13.103 -17.509 -12.031 1.00 44.32 H new ATOM 0 HD22 LEU A 18 12.466 -18.961 -12.839 1.00 44.32 H new ATOM 0 HD23 LEU A 18 11.431 -17.527 -12.640 1.00 44.32 H new ATOM 334 N PHE A 19 8.035 -17.689 -8.930 1.00 13.20 N ATOM 335 CA PHE A 19 7.874 -17.176 -7.574 1.00 41.14 C ATOM 336 C PHE A 19 7.175 -18.200 -6.685 1.00 3.23 C ATOM 337 O PHE A 19 6.594 -17.851 -5.657 1.00 54.13 O ATOM 338 CB PHE A 19 7.077 -15.870 -7.592 1.00 10.04 C ATOM 339 CG PHE A 19 7.722 -14.785 -8.405 1.00 40.41 C ATOM 340 CD1 PHE A 19 8.304 -13.690 -7.787 1.00 12.35 C ATOM 341 CD2 PHE A 19 7.746 -14.859 -9.788 1.00 41.15 C ATOM 342 CE1 PHE A 19 8.899 -12.689 -8.532 1.00 74.31 C ATOM 343 CE2 PHE A 19 8.340 -13.862 -10.539 1.00 52.12 C ATOM 344 CZ PHE A 19 8.916 -12.775 -9.910 1.00 74.24 C ATOM 0 H PHE A 19 7.260 -17.473 -9.557 1.00 13.20 H new ATOM 0 HA PHE A 19 8.866 -16.983 -7.165 1.00 41.14 H new ATOM 0 HB2 PHE A 19 6.081 -16.067 -7.989 1.00 10.04 H new ATOM 0 HB3 PHE A 19 6.948 -15.518 -6.568 1.00 10.04 H new ATOM 0 HD1 PHE A 19 8.293 -13.618 -6.709 1.00 12.35 H new ATOM 0 HD2 PHE A 19 7.295 -15.705 -10.285 1.00 41.15 H new ATOM 0 HE1 PHE A 19 9.350 -11.841 -8.037 1.00 74.31 H new ATOM 0 HE2 PHE A 19 8.354 -13.933 -11.617 1.00 52.12 H new ATOM 0 HZ PHE A 19 9.379 -11.994 -10.495 1.00 74.24 H new ATOM 354 N ARG A 20 7.237 -19.465 -7.088 1.00 14.33 N ATOM 355 CA ARG A 20 6.609 -20.540 -6.329 1.00 14.41 C ATOM 356 C ARG A 20 7.557 -21.726 -6.179 1.00 41.44 C ATOM 357 O ARG A 20 7.235 -22.711 -5.516 1.00 13.04 O ATOM 358 CB ARG A 20 5.317 -20.989 -7.014 1.00 71.22 C ATOM 359 CG ARG A 20 5.462 -21.194 -8.513 1.00 62.12 C ATOM 360 CD ARG A 20 4.886 -20.023 -9.294 1.00 23.10 C ATOM 361 NE ARG A 20 3.442 -19.904 -9.115 1.00 52.53 N ATOM 362 CZ ARG A 20 2.559 -20.692 -9.718 1.00 30.54 C ATOM 363 NH1 ARG A 20 2.971 -21.653 -10.533 1.00 24.21 N ATOM 364 NH2 ARG A 20 1.261 -20.521 -9.504 1.00 75.44 N ATOM 0 H ARG A 20 7.716 -19.771 -7.935 1.00 14.33 H new ATOM 0 HA ARG A 20 6.372 -20.159 -5.336 1.00 14.41 H new ATOM 0 HB2 ARG A 20 4.979 -21.920 -6.559 1.00 71.22 H new ATOM 0 HB3 ARG A 20 4.541 -20.245 -6.831 1.00 71.22 H new ATOM 0 HG2 ARG A 20 6.515 -21.317 -8.764 1.00 62.12 H new ATOM 0 HG3 ARG A 20 4.955 -22.113 -8.806 1.00 62.12 H new ATOM 0 HD2 ARG A 20 5.369 -19.100 -8.972 1.00 23.10 H new ATOM 0 HD3 ARG A 20 5.111 -20.148 -10.353 1.00 23.10 H new ATOM 0 HE ARG A 20 3.092 -19.176 -8.493 1.00 52.53 H new ATOM 0 HH11 ARG A 20 3.968 -21.789 -10.698 1.00 24.21 H new ATOM 0 HH12 ARG A 20 2.291 -22.257 -10.995 1.00 24.21 H new ATOM 0 HH21 ARG A 20 0.940 -19.784 -8.876 1.00 75.44 H new ATOM 0 HH22 ARG A 20 0.584 -21.127 -9.967 1.00 75.44 H new ATOM 378 N ARG A 21 8.727 -21.623 -6.801 1.00 61.04 N ATOM 379 CA ARG A 21 9.721 -22.687 -6.739 1.00 23.40 C ATOM 380 C ARG A 21 10.277 -22.830 -5.325 1.00 44.22 C ATOM 381 O ARG A 21 10.032 -23.827 -4.649 1.00 34.53 O ATOM 382 CB ARG A 21 10.861 -22.408 -7.721 1.00 32.21 C ATOM 383 CG ARG A 21 10.615 -22.966 -9.113 1.00 41.34 C ATOM 384 CD ARG A 21 9.281 -22.498 -9.673 1.00 74.41 C ATOM 385 NE ARG A 21 8.208 -23.452 -9.400 1.00 4.55 N ATOM 386 CZ ARG A 21 7.064 -23.483 -10.073 1.00 70.52 C ATOM 387 NH1 ARG A 21 6.845 -22.620 -11.055 1.00 74.11 N ATOM 388 NH2 ARG A 21 6.136 -24.381 -9.765 1.00 43.12 N ATOM 0 H ARG A 21 9.009 -20.813 -7.354 1.00 61.04 H new ATOM 0 HA ARG A 21 9.233 -23.622 -7.016 1.00 23.40 H new ATOM 0 HB2 ARG A 21 11.013 -21.331 -7.792 1.00 32.21 H new ATOM 0 HB3 ARG A 21 11.783 -22.834 -7.325 1.00 32.21 H new ATOM 0 HG2 ARG A 21 11.420 -22.654 -9.779 1.00 41.34 H new ATOM 0 HG3 ARG A 21 10.634 -24.055 -9.078 1.00 41.34 H new ATOM 0 HD2 ARG A 21 9.025 -21.531 -9.240 1.00 74.41 H new ATOM 0 HD3 ARG A 21 9.371 -22.352 -10.749 1.00 74.41 H new ATOM 0 HE ARG A 21 8.346 -24.131 -8.651 1.00 4.55 H new ATOM 0 HH11 ARG A 21 7.556 -21.930 -11.295 1.00 74.11 H new ATOM 0 HH12 ARG A 21 5.965 -22.646 -11.570 1.00 74.11 H new ATOM 0 HH21 ARG A 21 6.302 -25.048 -9.011 1.00 43.12 H new ATOM 0 HH22 ARG A 21 5.257 -24.404 -10.282 1.00 43.12 H new ATOM 402 N ASN A 22 11.028 -21.825 -4.886 1.00 43.12 N ATOM 403 CA ASN A 22 11.620 -21.839 -3.553 1.00 43.34 C ATOM 404 C ASN A 22 10.851 -20.922 -2.607 1.00 33.41 C ATOM 405 O ASN A 22 10.733 -21.202 -1.414 1.00 33.42 O ATOM 406 CB ASN A 22 13.087 -21.407 -3.619 1.00 54.34 C ATOM 407 CG ASN A 22 13.990 -22.298 -2.789 1.00 71.23 C ATOM 408 OD1 ASN A 22 14.509 -23.302 -3.278 1.00 10.11 O ATOM 409 ND2 ASN A 22 14.181 -21.935 -1.527 1.00 4.54 N ATOM 0 H ASN A 22 11.241 -20.991 -5.433 1.00 43.12 H new ATOM 0 HA ASN A 22 11.565 -22.858 -3.169 1.00 43.34 H new ATOM 0 HB2 ASN A 22 13.421 -21.422 -4.657 1.00 54.34 H new ATOM 0 HB3 ASN A 22 13.176 -20.378 -3.270 1.00 54.34 H new ATOM 0 HD21 ASN A 22 14.778 -22.496 -0.920 1.00 4.54 H new ATOM 0 HD22 ASN A 22 13.731 -21.095 -1.164 1.00 4.54 H new ATOM 416 N PHE A 23 10.328 -19.827 -3.148 1.00 3.45 N ATOM 417 CA PHE A 23 9.570 -18.868 -2.352 1.00 20.43 C ATOM 418 C PHE A 23 8.072 -19.020 -2.600 1.00 41.31 C ATOM 419 O PHE A 23 7.536 -18.488 -3.571 1.00 51.13 O ATOM 420 CB PHE A 23 10.011 -17.440 -2.678 1.00 72.04 C ATOM 421 CG PHE A 23 10.860 -17.342 -3.913 1.00 63.42 C ATOM 422 CD1 PHE A 23 10.365 -16.754 -5.066 1.00 24.21 C ATOM 423 CD2 PHE A 23 12.154 -17.839 -3.921 1.00 73.53 C ATOM 424 CE1 PHE A 23 11.145 -16.662 -6.204 1.00 34.51 C ATOM 425 CE2 PHE A 23 12.938 -17.750 -5.056 1.00 74.20 C ATOM 426 CZ PHE A 23 12.432 -17.162 -6.199 1.00 61.11 C ATOM 0 H PHE A 23 10.415 -19.581 -4.134 1.00 3.45 H new ATOM 0 HA PHE A 23 9.768 -19.070 -1.299 1.00 20.43 H new ATOM 0 HB2 PHE A 23 9.127 -16.815 -2.804 1.00 72.04 H new ATOM 0 HB3 PHE A 23 10.567 -17.038 -1.831 1.00 72.04 H new ATOM 0 HD1 PHE A 23 9.358 -16.363 -5.076 1.00 24.21 H new ATOM 0 HD2 PHE A 23 12.554 -18.301 -3.031 1.00 73.53 H new ATOM 0 HE1 PHE A 23 10.748 -16.200 -7.096 1.00 34.51 H new ATOM 0 HE2 PHE A 23 13.945 -18.140 -5.049 1.00 74.20 H new ATOM 0 HZ PHE A 23 13.042 -17.093 -7.087 1.00 61.11 H new ATOM 436 N GLY A 24 7.402 -19.751 -1.714 1.00 40.51 N ATOM 437 CA GLY A 24 5.973 -19.960 -1.855 1.00 31.15 C ATOM 438 C GLY A 24 5.296 -18.843 -2.623 1.00 13.54 C ATOM 439 O GLY A 24 5.174 -18.906 -3.846 1.00 75.11 O ATOM 0 H GLY A 24 7.823 -20.202 -0.902 1.00 40.51 H new ATOM 0 HA2 GLY A 24 5.796 -20.907 -2.366 1.00 31.15 H new ATOM 0 HA3 GLY A 24 5.522 -20.042 -0.866 1.00 31.15 H new ATOM 443 N TYR A 25 4.853 -17.817 -1.904 1.00 11.10 N ATOM 444 CA TYR A 25 4.180 -16.682 -2.525 1.00 64.12 C ATOM 445 C TYR A 25 4.637 -15.368 -1.899 1.00 24.34 C ATOM 446 O TYR A 25 3.832 -14.611 -1.357 1.00 14.40 O ATOM 447 CB TYR A 25 2.663 -16.824 -2.389 1.00 65.52 C ATOM 448 CG TYR A 25 1.900 -16.362 -3.610 1.00 21.04 C ATOM 449 CD1 TYR A 25 0.557 -16.679 -3.774 1.00 63.15 C ATOM 450 CD2 TYR A 25 2.521 -15.609 -4.598 1.00 64.22 C ATOM 451 CE1 TYR A 25 -0.144 -16.259 -4.888 1.00 73.42 C ATOM 452 CE2 TYR A 25 1.827 -15.184 -5.714 1.00 44.04 C ATOM 453 CZ TYR A 25 0.495 -15.512 -5.855 1.00 0.20 C ATOM 454 OH TYR A 25 -0.199 -15.091 -6.966 1.00 74.31 O ATOM 0 H TYR A 25 4.948 -17.748 -0.891 1.00 11.10 H new ATOM 0 HA TYR A 25 4.444 -16.671 -3.583 1.00 64.12 H new ATOM 0 HB2 TYR A 25 2.420 -17.868 -2.193 1.00 65.52 H new ATOM 0 HB3 TYR A 25 2.329 -16.251 -1.524 1.00 65.52 H new ATOM 0 HD1 TYR A 25 0.053 -17.263 -3.018 1.00 63.15 H new ATOM 0 HD2 TYR A 25 3.564 -15.351 -4.492 1.00 64.22 H new ATOM 0 HE1 TYR A 25 -1.187 -16.514 -5.001 1.00 73.42 H new ATOM 0 HE2 TYR A 25 2.325 -14.598 -6.472 1.00 44.04 H new ATOM 0 HH TYR A 25 0.397 -14.575 -7.548 1.00 74.31 H new ATOM 464 N THR A 26 5.938 -15.104 -1.977 1.00 11.33 N ATOM 465 CA THR A 26 6.504 -13.883 -1.418 1.00 4.22 C ATOM 466 C THR A 26 5.738 -12.654 -1.892 1.00 52.43 C ATOM 467 O THR A 26 5.715 -11.624 -1.216 1.00 45.05 O ATOM 468 CB THR A 26 7.989 -13.727 -1.799 1.00 12.45 C ATOM 469 OG1 THR A 26 8.602 -12.724 -0.980 1.00 74.02 O ATOM 470 CG2 THR A 26 8.135 -13.350 -3.265 1.00 75.02 C ATOM 0 H THR A 26 6.619 -15.720 -2.422 1.00 11.33 H new ATOM 0 HA THR A 26 6.421 -13.963 -0.334 1.00 4.22 H new ATOM 0 HB THR A 26 8.486 -14.683 -1.635 1.00 12.45 H new ATOM 0 HG1 THR A 26 9.494 -12.518 -1.328 1.00 74.02 H new ATOM 0 HG21 THR A 26 9.192 -13.245 -3.510 1.00 75.02 H new ATOM 0 HG22 THR A 26 7.693 -14.129 -3.887 1.00 75.02 H new ATOM 0 HG23 THR A 26 7.624 -12.405 -3.450 1.00 75.02 H new ATOM 478 N LEU A 27 5.110 -12.767 -3.057 1.00 72.23 N ATOM 479 CA LEU A 27 4.340 -11.664 -3.622 1.00 62.24 C ATOM 480 C LEU A 27 3.137 -11.334 -2.745 1.00 4.53 C ATOM 481 O LEU A 27 2.725 -10.178 -2.650 1.00 54.52 O ATOM 482 CB LEU A 27 3.873 -12.014 -5.037 1.00 4.05 C ATOM 483 CG LEU A 27 4.842 -12.847 -5.876 1.00 43.04 C ATOM 484 CD1 LEU A 27 4.278 -13.078 -7.270 1.00 20.34 C ATOM 485 CD2 LEU A 27 6.201 -12.166 -5.955 1.00 72.05 C ATOM 0 H LEU A 27 5.119 -13.611 -3.629 1.00 72.23 H new ATOM 0 HA LEU A 27 4.986 -10.787 -3.665 1.00 62.24 H new ATOM 0 HB2 LEU A 27 2.930 -12.555 -4.963 1.00 4.05 H new ATOM 0 HB3 LEU A 27 3.667 -11.086 -5.570 1.00 4.05 H new ATOM 0 HG LEU A 27 4.971 -13.816 -5.393 1.00 43.04 H new ATOM 0 HD11 LEU A 27 4.981 -13.673 -7.853 1.00 20.34 H new ATOM 0 HD12 LEU A 27 3.329 -13.609 -7.195 1.00 20.34 H new ATOM 0 HD13 LEU A 27 4.119 -12.118 -7.762 1.00 20.34 H new ATOM 0 HD21 LEU A 27 6.878 -12.773 -6.556 1.00 72.05 H new ATOM 0 HD22 LEU A 27 6.090 -11.184 -6.414 1.00 72.05 H new ATOM 0 HD23 LEU A 27 6.610 -12.053 -4.951 1.00 72.05 H new ATOM 497 N ARG A 28 2.581 -12.356 -2.103 1.00 12.40 N ATOM 498 CA ARG A 28 1.426 -12.173 -1.232 1.00 20.31 C ATOM 499 C ARG A 28 1.644 -11.002 -0.278 1.00 72.14 C ATOM 500 O ARG A 28 1.134 -9.904 -0.502 1.00 41.01 O ATOM 501 CB ARG A 28 1.155 -13.450 -0.434 1.00 63.45 C ATOM 502 CG ARG A 28 2.096 -13.644 0.743 1.00 23.13 C ATOM 503 CD ARG A 28 2.099 -15.087 1.223 1.00 72.11 C ATOM 504 NE ARG A 28 3.088 -15.313 2.274 1.00 54.13 N ATOM 505 CZ ARG A 28 3.055 -16.350 3.103 1.00 63.54 C ATOM 506 NH1 ARG A 28 2.089 -17.253 3.003 1.00 42.01 N ATOM 507 NH2 ARG A 28 3.991 -16.487 4.033 1.00 22.13 N ATOM 0 H ARG A 28 2.911 -13.319 -2.169 1.00 12.40 H new ATOM 0 HA ARG A 28 0.562 -11.953 -1.859 1.00 20.31 H new ATOM 0 HB2 ARG A 28 0.129 -13.428 -0.068 1.00 63.45 H new ATOM 0 HB3 ARG A 28 1.238 -14.309 -1.100 1.00 63.45 H new ATOM 0 HG2 ARG A 28 3.106 -13.354 0.454 1.00 23.13 H new ATOM 0 HG3 ARG A 28 1.797 -12.988 1.561 1.00 23.13 H new ATOM 0 HD2 ARG A 28 1.108 -15.347 1.596 1.00 72.11 H new ATOM 0 HD3 ARG A 28 2.307 -15.748 0.382 1.00 72.11 H new ATOM 0 HE ARG A 28 3.845 -14.637 2.377 1.00 54.13 H new ATOM 0 HH11 ARG A 28 1.369 -17.152 2.288 1.00 42.01 H new ATOM 0 HH12 ARG A 28 2.066 -18.048 3.641 1.00 42.01 H new ATOM 0 HH21 ARG A 28 4.737 -15.796 4.112 1.00 22.13 H new ATOM 0 HH22 ARG A 28 3.965 -17.284 4.669 1.00 22.13 H new