USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 280 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc=-7.84e-05 X(o=-7.8e-05,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0185 K(o=-0.018,f=-1.3!) USER MOD Single : A 34 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 -0.742 -2.541 0.927 1.00 55.14 N ATOM 50 CA LYS A 3 -1.948 -2.419 1.737 1.00 12.34 C ATOM 51 C LYS A 3 -3.087 -1.806 0.929 1.00 14.44 C ATOM 52 O LYS A 3 -4.087 -2.467 0.648 1.00 61.34 O ATOM 53 CB LYS A 3 -1.670 -1.564 2.976 1.00 20.43 C ATOM 54 CG LYS A 3 -2.728 -1.698 4.057 1.00 34.04 C ATOM 55 CD LYS A 3 -2.157 -2.312 5.324 1.00 1.14 C ATOM 56 CE LYS A 3 -1.806 -1.246 6.351 1.00 14.02 C ATOM 57 NZ LYS A 3 -0.334 -1.115 6.534 1.00 13.30 N ATOM 0 HA LYS A 3 -2.247 -3.419 2.052 1.00 12.34 H new ATOM 0 HB2 LYS A 3 -0.702 -1.844 3.390 1.00 20.43 H new ATOM 0 HB3 LYS A 3 -1.598 -0.518 2.677 1.00 20.43 H new ATOM 0 HG2 LYS A 3 -3.145 -0.716 4.283 1.00 34.04 H new ATOM 0 HG3 LYS A 3 -3.548 -2.315 3.690 1.00 34.04 H new ATOM 0 HD2 LYS A 3 -2.881 -3.006 5.751 1.00 1.14 H new ATOM 0 HD3 LYS A 3 -1.266 -2.891 5.080 1.00 1.14 H new ATOM 0 HE2 LYS A 3 -2.219 -0.288 6.036 1.00 14.02 H new ATOM 0 HE3 LYS A 3 -2.270 -1.495 7.306 1.00 14.02 H new ATOM 0 HZ1 LYS A 3 -0.136 -0.379 7.241 1.00 13.30 H new ATOM 0 HZ2 LYS A 3 0.057 -2.022 6.859 1.00 13.30 H new ATOM 0 HZ3 LYS A 3 0.106 -0.853 5.629 1.00 13.30 H new ATOM 71 N ILE A 4 -2.929 -0.539 0.559 1.00 72.41 N ATOM 72 CA ILE A 4 -3.944 0.161 -0.219 1.00 23.11 C ATOM 73 C ILE A 4 -4.327 -0.633 -1.463 1.00 51.34 C ATOM 74 O ILE A 4 -5.507 -0.869 -1.723 1.00 12.10 O ATOM 75 CB ILE A 4 -3.460 1.560 -0.645 1.00 35.14 C ATOM 76 CG1 ILE A 4 -3.053 2.378 0.583 1.00 74.04 C ATOM 77 CG2 ILE A 4 -4.547 2.279 -1.431 1.00 24.13 C ATOM 78 CD1 ILE A 4 -4.177 2.579 1.575 1.00 54.44 C ATOM 0 H ILE A 4 -2.108 0.023 0.785 1.00 72.41 H new ATOM 0 HA ILE A 4 -4.818 0.268 0.424 1.00 23.11 H new ATOM 0 HB ILE A 4 -2.588 1.447 -1.289 1.00 35.14 H new ATOM 0 HG12 ILE A 4 -2.223 1.879 1.083 1.00 74.04 H new ATOM 0 HG13 ILE A 4 -2.689 3.352 0.256 1.00 74.04 H new ATOM 0 HG21 ILE A 4 -4.191 3.266 -1.725 1.00 24.13 H new ATOM 0 HG22 ILE A 4 -4.794 1.702 -2.322 1.00 24.13 H new ATOM 0 HG23 ILE A 4 -5.436 2.385 -0.809 1.00 24.13 H new ATOM 0 HD11 ILE A 4 -3.816 3.167 2.419 1.00 54.44 H new ATOM 0 HD12 ILE A 4 -5.000 3.106 1.091 1.00 54.44 H new ATOM 0 HD13 ILE A 4 -4.526 1.610 1.931 1.00 54.44 H new ATOM 90 N PHE A 5 -3.322 -1.043 -2.229 1.00 60.45 N ATOM 91 CA PHE A 5 -3.553 -1.812 -3.447 1.00 53.10 C ATOM 92 C PHE A 5 -4.425 -3.031 -3.163 1.00 75.31 C ATOM 93 O PHE A 5 -5.532 -3.154 -3.690 1.00 24.45 O ATOM 94 CB PHE A 5 -2.222 -2.254 -4.057 1.00 64.20 C ATOM 95 CG PHE A 5 -1.788 -1.414 -5.224 1.00 54.12 C ATOM 96 CD1 PHE A 5 -1.579 -0.052 -5.075 1.00 33.33 C ATOM 97 CD2 PHE A 5 -1.590 -1.986 -6.471 1.00 3.55 C ATOM 98 CE1 PHE A 5 -1.181 0.723 -6.147 1.00 54.23 C ATOM 99 CE2 PHE A 5 -1.191 -1.215 -7.547 1.00 33.12 C ATOM 100 CZ PHE A 5 -0.986 0.141 -7.384 1.00 60.05 C ATOM 0 H PHE A 5 -2.340 -0.856 -2.028 1.00 60.45 H new ATOM 0 HA PHE A 5 -4.075 -1.171 -4.158 1.00 53.10 H new ATOM 0 HB2 PHE A 5 -1.450 -2.220 -3.288 1.00 64.20 H new ATOM 0 HB3 PHE A 5 -2.306 -3.292 -4.378 1.00 64.20 H new ATOM 0 HD1 PHE A 5 -1.729 0.409 -4.110 1.00 33.33 H new ATOM 0 HD2 PHE A 5 -1.749 -3.046 -6.604 1.00 3.55 H new ATOM 0 HE1 PHE A 5 -1.022 1.783 -6.018 1.00 54.23 H new ATOM 0 HE2 PHE A 5 -1.040 -1.672 -8.514 1.00 33.12 H new ATOM 0 HZ PHE A 5 -0.674 0.745 -8.223 1.00 60.05 H new ATOM 110 N LYS A 6 -3.919 -3.932 -2.327 1.00 52.52 N ATOM 111 CA LYS A 6 -4.650 -5.142 -1.971 1.00 51.11 C ATOM 112 C LYS A 6 -6.043 -4.803 -1.451 1.00 54.00 C ATOM 113 O LYS A 6 -7.022 -5.472 -1.785 1.00 2.32 O ATOM 114 CB LYS A 6 -3.879 -5.936 -0.914 1.00 42.32 C ATOM 115 CG LYS A 6 -4.476 -7.301 -0.623 1.00 74.41 C ATOM 116 CD LYS A 6 -4.093 -7.794 0.762 1.00 23.30 C ATOM 117 CE LYS A 6 -3.411 -9.153 0.701 1.00 13.23 C ATOM 118 NZ LYS A 6 -1.982 -9.039 0.299 1.00 51.04 N ATOM 0 H LYS A 6 -3.005 -3.846 -1.883 1.00 52.52 H new ATOM 0 HA LYS A 6 -4.755 -5.751 -2.869 1.00 51.11 H new ATOM 0 HB2 LYS A 6 -2.849 -6.063 -1.247 1.00 42.32 H new ATOM 0 HB3 LYS A 6 -3.847 -5.359 0.010 1.00 42.32 H new ATOM 0 HG2 LYS A 6 -5.562 -7.249 -0.704 1.00 74.41 H new ATOM 0 HG3 LYS A 6 -4.134 -8.016 -1.372 1.00 74.41 H new ATOM 0 HD2 LYS A 6 -3.427 -7.072 1.235 1.00 23.30 H new ATOM 0 HD3 LYS A 6 -4.985 -7.861 1.385 1.00 23.30 H new ATOM 0 HE2 LYS A 6 -3.477 -9.636 1.676 1.00 13.23 H new ATOM 0 HE3 LYS A 6 -3.938 -9.792 -0.008 1.00 13.23 H new ATOM 0 HZ1 LYS A 6 -1.553 -9.986 0.269 1.00 51.04 H new ATOM 0 HZ2 LYS A 6 -1.920 -8.601 -0.642 1.00 51.04 H new ATOM 0 HZ3 LYS A 6 -1.473 -8.450 0.989 1.00 51.04 H new ATOM 132 N LYS A 7 -6.127 -3.759 -0.633 1.00 21.41 N ATOM 133 CA LYS A 7 -7.401 -3.329 -0.068 1.00 45.04 C ATOM 134 C LYS A 7 -8.375 -2.925 -1.170 1.00 40.40 C ATOM 135 O LYS A 7 -9.388 -3.589 -1.390 1.00 31.12 O ATOM 136 CB LYS A 7 -7.186 -2.158 0.893 1.00 51.43 C ATOM 137 CG LYS A 7 -8.468 -1.652 1.531 1.00 32.23 C ATOM 138 CD LYS A 7 -8.744 -0.205 1.159 1.00 62.11 C ATOM 139 CE LYS A 7 -9.752 0.431 2.104 1.00 43.33 C ATOM 140 NZ LYS A 7 -9.087 1.088 3.263 1.00 32.35 N ATOM 0 H LYS A 7 -5.327 -3.195 -0.346 1.00 21.41 H new ATOM 0 HA LYS A 7 -7.829 -4.167 0.481 1.00 45.04 H new ATOM 0 HB2 LYS A 7 -6.496 -2.466 1.679 1.00 51.43 H new ATOM 0 HB3 LYS A 7 -6.710 -1.339 0.354 1.00 51.43 H new ATOM 0 HG2 LYS A 7 -9.304 -2.276 1.214 1.00 32.23 H new ATOM 0 HG3 LYS A 7 -8.396 -1.742 2.615 1.00 32.23 H new ATOM 0 HD2 LYS A 7 -7.813 0.362 1.183 1.00 62.11 H new ATOM 0 HD3 LYS A 7 -9.121 -0.156 0.137 1.00 62.11 H new ATOM 0 HE2 LYS A 7 -10.345 1.167 1.561 1.00 43.33 H new ATOM 0 HE3 LYS A 7 -10.442 -0.331 2.465 1.00 43.33 H new ATOM 0 HZ1 LYS A 7 -9.807 1.509 3.883 1.00 32.35 H new ATOM 0 HZ2 LYS A 7 -8.541 0.381 3.796 1.00 32.35 H new ATOM 0 HZ3 LYS A 7 -8.447 1.833 2.920 1.00 32.35 H new ATOM 154 N ILE A 8 -8.061 -1.833 -1.860 1.00 32.22 N ATOM 155 CA ILE A 8 -8.908 -1.343 -2.940 1.00 73.00 C ATOM 156 C ILE A 8 -9.216 -2.450 -3.943 1.00 13.05 C ATOM 157 O ILE A 8 -10.349 -2.584 -4.405 1.00 44.42 O ATOM 158 CB ILE A 8 -8.250 -0.164 -3.681 1.00 13.35 C ATOM 159 CG1 ILE A 8 -7.950 0.976 -2.705 1.00 14.02 C ATOM 160 CG2 ILE A 8 -9.148 0.320 -4.809 1.00 54.41 C ATOM 161 CD1 ILE A 8 -7.251 2.153 -3.347 1.00 45.13 C ATOM 0 H ILE A 8 -7.227 -1.271 -1.690 1.00 32.22 H new ATOM 0 HA ILE A 8 -9.836 -1.002 -2.482 1.00 73.00 H new ATOM 0 HB ILE A 8 -7.309 -0.505 -4.113 1.00 13.35 H new ATOM 0 HG12 ILE A 8 -8.884 1.318 -2.260 1.00 14.02 H new ATOM 0 HG13 ILE A 8 -7.331 0.595 -1.893 1.00 14.02 H new ATOM 0 HG21 ILE A 8 -8.669 1.153 -5.323 1.00 54.41 H new ATOM 0 HG22 ILE A 8 -9.316 -0.493 -5.515 1.00 54.41 H new ATOM 0 HG23 ILE A 8 -10.103 0.647 -4.399 1.00 54.41 H new ATOM 0 HD11 ILE A 8 -7.070 2.922 -2.596 1.00 45.13 H new ATOM 0 HD12 ILE A 8 -6.300 1.826 -3.768 1.00 45.13 H new ATOM 0 HD13 ILE A 8 -7.878 2.560 -4.140 1.00 45.13 H new ATOM 173 N GLU A 9 -8.201 -3.242 -4.272 1.00 22.10 N ATOM 174 CA GLU A 9 -8.364 -4.339 -5.219 1.00 52.42 C ATOM 175 C GLU A 9 -9.363 -5.366 -4.695 1.00 32.11 C ATOM 176 O GLU A 9 -10.298 -5.754 -5.396 1.00 30.32 O ATOM 177 CB GLU A 9 -7.018 -5.013 -5.490 1.00 44.44 C ATOM 178 CG GLU A 9 -7.081 -6.090 -6.560 1.00 23.22 C ATOM 179 CD GLU A 9 -5.710 -6.471 -7.086 1.00 35.45 C ATOM 180 OE1 GLU A 9 -4.880 -6.951 -6.286 1.00 71.51 O ATOM 181 OE2 GLU A 9 -5.469 -6.290 -8.297 1.00 50.53 O ATOM 0 H GLU A 9 -7.257 -3.145 -3.897 1.00 22.10 H new ATOM 0 HA GLU A 9 -8.749 -3.926 -6.151 1.00 52.42 H new ATOM 0 HB2 GLU A 9 -6.296 -4.255 -5.792 1.00 44.44 H new ATOM 0 HB3 GLU A 9 -6.649 -5.454 -4.564 1.00 44.44 H new ATOM 0 HG2 GLU A 9 -7.568 -6.975 -6.151 1.00 23.22 H new ATOM 0 HG3 GLU A 9 -7.699 -5.740 -7.387 1.00 23.22 H new ATOM 188 N LYS A 10 -9.158 -5.803 -3.457 1.00 74.51 N ATOM 189 CA LYS A 10 -10.040 -6.785 -2.836 1.00 63.23 C ATOM 190 C LYS A 10 -11.453 -6.231 -2.688 1.00 50.12 C ATOM 191 O LYS A 10 -12.410 -6.794 -3.220 1.00 13.25 O ATOM 192 CB LYS A 10 -9.495 -7.196 -1.466 1.00 52.42 C ATOM 193 CG LYS A 10 -10.444 -8.079 -0.675 1.00 24.34 C ATOM 194 CD LYS A 10 -9.692 -9.139 0.113 1.00 62.43 C ATOM 195 CE LYS A 10 -10.531 -9.682 1.259 1.00 31.12 C ATOM 196 NZ LYS A 10 -9.754 -10.613 2.123 1.00 1.04 N ATOM 0 H LYS A 10 -8.389 -5.493 -2.864 1.00 74.51 H new ATOM 0 HA LYS A 10 -10.079 -7.662 -3.483 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -8.551 -7.723 -1.603 1.00 52.42 H new ATOM 0 HB3 LYS A 10 -9.278 -6.299 -0.886 1.00 52.42 H new ATOM 0 HG2 LYS A 10 -11.031 -7.464 0.008 1.00 24.34 H new ATOM 0 HG3 LYS A 10 -11.147 -8.560 -1.355 1.00 24.34 H new ATOM 0 HD2 LYS A 10 -9.410 -9.956 -0.551 1.00 62.43 H new ATOM 0 HD3 LYS A 10 -8.768 -8.714 0.506 1.00 62.43 H new ATOM 0 HE2 LYS A 10 -10.903 -8.853 1.861 1.00 31.12 H new ATOM 0 HE3 LYS A 10 -11.402 -10.200 0.858 1.00 31.12 H new ATOM 0 HZ1 LYS A 10 -10.361 -10.961 2.892 1.00 1.04 H new ATOM 0 HZ2 LYS A 10 -9.420 -11.417 1.554 1.00 1.04 H new ATOM 0 HZ3 LYS A 10 -8.937 -10.112 2.527 1.00 1.04 H new ATOM 210 N VAL A 11 -11.576 -5.123 -1.964 1.00 35.12 N ATOM 211 CA VAL A 11 -12.873 -4.491 -1.748 1.00 64.13 C ATOM 212 C VAL A 11 -13.599 -4.263 -3.069 1.00 11.30 C ATOM 213 O VAL A 11 -14.802 -4.498 -3.177 1.00 23.31 O ATOM 214 CB VAL A 11 -12.725 -3.144 -1.016 1.00 54.02 C ATOM 215 CG1 VAL A 11 -14.091 -2.530 -0.747 1.00 21.41 C ATOM 216 CG2 VAL A 11 -11.948 -3.324 0.279 1.00 63.02 C ATOM 0 H VAL A 11 -10.794 -4.644 -1.517 1.00 35.12 H new ATOM 0 HA VAL A 11 -13.458 -5.170 -1.128 1.00 64.13 H new ATOM 0 HB VAL A 11 -12.166 -2.462 -1.656 1.00 54.02 H new ATOM 0 HG11 VAL A 11 -13.967 -1.579 -0.229 1.00 21.41 H new ATOM 0 HG12 VAL A 11 -14.608 -2.364 -1.692 1.00 21.41 H new ATOM 0 HG13 VAL A 11 -14.678 -3.207 -0.127 1.00 21.41 H new ATOM 0 HG21 VAL A 11 -11.853 -2.362 0.783 1.00 63.02 H new ATOM 0 HG22 VAL A 11 -12.478 -4.022 0.927 1.00 63.02 H new ATOM 0 HG23 VAL A 11 -10.956 -3.717 0.056 1.00 63.02 H new ATOM 226 N GLY A 12 -12.859 -3.802 -4.073 1.00 73.13 N ATOM 227 CA GLY A 12 -13.450 -3.550 -5.375 1.00 2.44 C ATOM 228 C GLY A 12 -14.112 -4.781 -5.960 1.00 23.32 C ATOM 229 O GLY A 12 -15.196 -4.697 -6.536 1.00 53.21 O ATOM 0 H GLY A 12 -11.862 -3.599 -4.008 1.00 73.13 H new ATOM 0 HA2 GLY A 12 -14.187 -2.752 -5.287 1.00 2.44 H new ATOM 0 HA3 GLY A 12 -12.678 -3.197 -6.059 1.00 2.44 H new ATOM 233 N ARG A 13 -13.457 -5.929 -5.813 1.00 53.25 N ATOM 234 CA ARG A 13 -13.988 -7.183 -6.335 1.00 2.33 C ATOM 235 C ARG A 13 -15.064 -7.744 -5.410 1.00 22.13 C ATOM 236 O ARG A 13 -16.032 -8.351 -5.865 1.00 32.03 O ATOM 237 CB ARG A 13 -12.863 -8.205 -6.506 1.00 21.24 C ATOM 238 CG ARG A 13 -13.172 -9.286 -7.529 1.00 13.22 C ATOM 239 CD ARG A 13 -12.498 -10.601 -7.172 1.00 3.15 C ATOM 240 NE ARG A 13 -11.343 -10.873 -8.023 1.00 5.53 N ATOM 241 CZ ARG A 13 -10.419 -11.785 -7.740 1.00 13.33 C ATOM 242 NH1 ARG A 13 -10.516 -12.509 -6.634 1.00 21.44 N ATOM 243 NH2 ARG A 13 -9.397 -11.974 -8.564 1.00 40.22 N ATOM 0 H ARG A 13 -12.559 -6.016 -5.337 1.00 53.25 H new ATOM 0 HA ARG A 13 -14.438 -6.982 -7.307 1.00 2.33 H new ATOM 0 HB2 ARG A 13 -11.953 -7.684 -6.804 1.00 21.24 H new ATOM 0 HB3 ARG A 13 -12.661 -8.675 -5.543 1.00 21.24 H new ATOM 0 HG2 ARG A 13 -14.250 -9.433 -7.589 1.00 13.22 H new ATOM 0 HG3 ARG A 13 -12.839 -8.961 -8.515 1.00 13.22 H new ATOM 0 HD2 ARG A 13 -12.182 -10.575 -6.129 1.00 3.15 H new ATOM 0 HD3 ARG A 13 -13.217 -11.414 -7.267 1.00 3.15 H new ATOM 0 HE ARG A 13 -11.240 -10.333 -8.882 1.00 5.53 H new ATOM 0 HH11 ARG A 13 -11.301 -12.367 -5.998 1.00 21.44 H new ATOM 0 HH12 ARG A 13 -9.806 -13.209 -6.418 1.00 21.44 H new ATOM 0 HH21 ARG A 13 -9.320 -11.419 -9.416 1.00 40.22 H new ATOM 0 HH22 ARG A 13 -8.688 -12.674 -8.345 1.00 40.22 H new ATOM 257 N ASN A 14 -14.886 -7.537 -4.109 1.00 44.10 N ATOM 258 CA ASN A 14 -15.840 -8.023 -3.120 1.00 35.22 C ATOM 259 C ASN A 14 -17.247 -7.518 -3.427 1.00 61.11 C ATOM 260 O ASN A 14 -18.177 -8.306 -3.602 1.00 43.24 O ATOM 261 CB ASN A 14 -15.423 -7.580 -1.716 1.00 63.12 C ATOM 262 CG ASN A 14 -16.342 -8.126 -0.640 1.00 43.52 C ATOM 263 OD1 ASN A 14 -16.977 -7.367 0.092 1.00 53.11 O ATOM 264 ND2 ASN A 14 -16.415 -9.448 -0.540 1.00 14.43 N ATOM 0 H ASN A 14 -14.089 -7.036 -3.716 1.00 44.10 H new ATOM 0 HA ASN A 14 -15.846 -9.112 -3.163 1.00 35.22 H new ATOM 0 HB2 ASN A 14 -14.403 -7.912 -1.521 1.00 63.12 H new ATOM 0 HB3 ASN A 14 -15.419 -6.491 -1.668 1.00 63.12 H new ATOM 0 HD21 ASN A 14 -17.016 -9.874 0.166 1.00 14.43 H new ATOM 0 HD22 ASN A 14 -15.870 -10.038 -1.169 1.00 14.43 H new ATOM 271 N VAL A 15 -17.395 -6.199 -3.492 1.00 11.34 N ATOM 272 CA VAL A 15 -18.687 -5.588 -3.779 1.00 52.45 C ATOM 273 C VAL A 15 -19.310 -6.186 -5.036 1.00 12.42 C ATOM 274 O VAL A 15 -20.394 -6.768 -4.987 1.00 24.32 O ATOM 275 CB VAL A 15 -18.560 -4.063 -3.959 1.00 24.23 C ATOM 276 CG1 VAL A 15 -19.932 -3.429 -4.127 1.00 44.55 C ATOM 277 CG2 VAL A 15 -17.820 -3.449 -2.780 1.00 12.42 C ATOM 0 H VAL A 15 -16.636 -5.533 -3.350 1.00 11.34 H new ATOM 0 HA VAL A 15 -19.331 -5.793 -2.924 1.00 52.45 H new ATOM 0 HB VAL A 15 -17.983 -3.867 -4.863 1.00 24.23 H new ATOM 0 HG11 VAL A 15 -19.822 -2.352 -4.253 1.00 44.55 H new ATOM 0 HG12 VAL A 15 -20.422 -3.849 -5.006 1.00 44.55 H new ATOM 0 HG13 VAL A 15 -20.537 -3.631 -3.243 1.00 44.55 H new ATOM 0 HG21 VAL A 15 -17.739 -2.371 -2.923 1.00 12.42 H new ATOM 0 HG22 VAL A 15 -18.368 -3.653 -1.860 1.00 12.42 H new ATOM 0 HG23 VAL A 15 -16.822 -3.882 -2.711 1.00 12.42 H new ATOM 287 N ARG A 16 -18.618 -6.038 -6.161 1.00 11.13 N ATOM 288 CA ARG A 16 -19.104 -6.563 -7.431 1.00 43.11 C ATOM 289 C ARG A 16 -19.481 -8.036 -7.302 1.00 44.12 C ATOM 290 O ARG A 16 -20.614 -8.424 -7.585 1.00 52.11 O ATOM 291 CB ARG A 16 -18.041 -6.391 -8.518 1.00 52.41 C ATOM 292 CG ARG A 16 -18.620 -6.138 -9.901 1.00 22.12 C ATOM 293 CD ARG A 16 -17.561 -5.619 -10.861 1.00 72.55 C ATOM 294 NE ARG A 16 -17.992 -5.715 -12.254 1.00 2.33 N ATOM 295 CZ ARG A 16 -17.228 -5.369 -13.284 1.00 73.14 C ATOM 296 NH1 ARG A 16 -16.002 -4.908 -13.080 1.00 61.41 N ATOM 297 NH2 ARG A 16 -17.691 -5.485 -14.523 1.00 11.44 N ATOM 0 H ARG A 16 -17.719 -5.559 -6.219 1.00 11.13 H new ATOM 0 HA ARG A 16 -19.995 -6.001 -7.711 1.00 43.11 H new ATOM 0 HB2 ARG A 16 -17.389 -5.560 -8.249 1.00 52.41 H new ATOM 0 HB3 ARG A 16 -17.420 -7.286 -8.552 1.00 52.41 H new ATOM 0 HG2 ARG A 16 -19.047 -7.061 -10.293 1.00 22.12 H new ATOM 0 HG3 ARG A 16 -19.433 -5.416 -9.830 1.00 22.12 H new ATOM 0 HD2 ARG A 16 -17.333 -4.580 -10.623 1.00 72.55 H new ATOM 0 HD3 ARG A 16 -16.640 -6.186 -10.726 1.00 72.55 H new ATOM 0 HE ARG A 16 -18.930 -6.067 -12.446 1.00 2.33 H new ATOM 0 HH11 ARG A 16 -15.643 -4.818 -12.130 1.00 61.41 H new ATOM 0 HH12 ARG A 16 -15.418 -4.643 -13.873 1.00 61.41 H new ATOM 0 HH21 ARG A 16 -18.634 -5.840 -14.684 1.00 11.44 H new ATOM 0 HH22 ARG A 16 -17.104 -5.219 -15.314 1.00 11.44 H new ATOM 311 N ASP A 17 -18.523 -8.851 -6.874 1.00 41.21 N ATOM 312 CA ASP A 17 -18.754 -10.281 -6.707 1.00 60.01 C ATOM 313 C ASP A 17 -19.998 -10.535 -5.862 1.00 31.43 C ATOM 314 O ASP A 17 -20.796 -11.421 -6.164 1.00 73.24 O ATOM 315 CB ASP A 17 -17.537 -10.944 -6.059 1.00 15.43 C ATOM 316 CG ASP A 17 -17.684 -12.449 -5.957 1.00 64.24 C ATOM 317 OD1 ASP A 17 -18.296 -13.049 -6.866 1.00 14.42 O ATOM 318 OD2 ASP A 17 -17.184 -13.028 -4.970 1.00 74.12 O ATOM 0 H ASP A 17 -17.579 -8.546 -6.636 1.00 41.21 H new ATOM 0 HA ASP A 17 -18.912 -10.716 -7.694 1.00 60.01 H new ATOM 0 HB2 ASP A 17 -16.646 -10.707 -6.640 1.00 15.43 H new ATOM 0 HB3 ASP A 17 -17.388 -10.528 -5.063 1.00 15.43 H new ATOM 323 N GLY A 18 -20.156 -9.752 -4.799 1.00 2.01 N ATOM 324 CA GLY A 18 -21.304 -9.909 -3.925 1.00 71.15 C ATOM 325 C GLY A 18 -22.602 -9.502 -4.595 1.00 23.11 C ATOM 326 O GLY A 18 -23.624 -10.171 -4.440 1.00 10.23 O ATOM 0 H GLY A 18 -19.509 -9.012 -4.528 1.00 2.01 H new ATOM 0 HA2 GLY A 18 -21.374 -10.949 -3.605 1.00 71.15 H new ATOM 0 HA3 GLY A 18 -21.158 -9.309 -3.027 1.00 71.15 H new ATOM 330 N ILE A 19 -22.562 -8.402 -5.340 1.00 20.54 N ATOM 331 CA ILE A 19 -23.744 -7.908 -6.034 1.00 51.40 C ATOM 332 C ILE A 19 -24.151 -8.847 -7.164 1.00 50.24 C ATOM 333 O ILE A 19 -25.339 -9.059 -7.411 1.00 64.12 O ATOM 334 CB ILE A 19 -23.510 -6.499 -6.611 1.00 64.23 C ATOM 335 CG1 ILE A 19 -23.161 -5.517 -5.491 1.00 44.23 C ATOM 336 CG2 ILE A 19 -24.739 -6.027 -7.373 1.00 32.41 C ATOM 337 CD1 ILE A 19 -22.395 -4.303 -5.969 1.00 51.21 C ATOM 0 H ILE A 19 -21.724 -7.837 -5.478 1.00 20.54 H new ATOM 0 HA ILE A 19 -24.546 -7.862 -5.297 1.00 51.40 H new ATOM 0 HB ILE A 19 -22.671 -6.542 -7.306 1.00 64.23 H new ATOM 0 HG12 ILE A 19 -24.081 -5.189 -5.007 1.00 44.23 H new ATOM 0 HG13 ILE A 19 -22.570 -6.035 -4.735 1.00 44.23 H new ATOM 0 HG21 ILE A 19 -24.558 -5.030 -7.774 1.00 32.41 H new ATOM 0 HG22 ILE A 19 -24.946 -6.716 -8.192 1.00 32.41 H new ATOM 0 HG23 ILE A 19 -25.595 -5.997 -6.699 1.00 32.41 H new ATOM 0 HD11 ILE A 19 -22.182 -3.651 -5.122 1.00 51.21 H new ATOM 0 HD12 ILE A 19 -21.458 -4.621 -6.427 1.00 51.21 H new ATOM 0 HD13 ILE A 19 -22.992 -3.762 -6.703 1.00 51.21 H new ATOM 349 N ILE A 20 -23.158 -9.408 -7.847 1.00 13.45 N ATOM 350 CA ILE A 20 -23.413 -10.327 -8.949 1.00 11.32 C ATOM 351 C ILE A 20 -23.817 -11.704 -8.434 1.00 22.11 C ATOM 352 O ILE A 20 -24.790 -12.294 -8.904 1.00 21.34 O ATOM 353 CB ILE A 20 -22.178 -10.472 -9.857 1.00 70.43 C ATOM 354 CG1 ILE A 20 -21.789 -9.115 -10.447 1.00 24.31 C ATOM 355 CG2 ILE A 20 -22.451 -11.479 -10.965 1.00 52.41 C ATOM 356 CD1 ILE A 20 -22.836 -8.535 -11.371 1.00 13.22 C ATOM 0 H ILE A 20 -22.170 -9.242 -7.656 1.00 13.45 H new ATOM 0 HA ILE A 20 -24.233 -9.905 -9.530 1.00 11.32 H new ATOM 0 HB ILE A 20 -21.345 -10.838 -9.257 1.00 70.43 H new ATOM 0 HG12 ILE A 20 -21.606 -8.413 -9.633 1.00 24.31 H new ATOM 0 HG13 ILE A 20 -20.852 -9.221 -10.994 1.00 24.31 H new ATOM 0 HG21 ILE A 20 -21.569 -11.571 -11.599 1.00 52.41 H new ATOM 0 HG22 ILE A 20 -22.685 -12.449 -10.526 1.00 52.41 H new ATOM 0 HG23 ILE A 20 -23.295 -11.140 -11.565 1.00 52.41 H new ATOM 0 HD11 ILE A 20 -22.493 -7.573 -11.752 1.00 13.22 H new ATOM 0 HD12 ILE A 20 -23.003 -9.217 -12.205 1.00 13.22 H new ATOM 0 HD13 ILE A 20 -23.768 -8.397 -10.823 1.00 13.22 H new ATOM 368 N LYS A 21 -23.064 -12.211 -7.464 1.00 23.03 N ATOM 369 CA LYS A 21 -23.343 -13.518 -6.881 1.00 15.01 C ATOM 370 C LYS A 21 -24.799 -13.614 -6.435 1.00 21.53 C ATOM 371 O LYS A 21 -25.599 -14.323 -7.044 1.00 70.33 O ATOM 372 CB LYS A 21 -22.416 -13.778 -5.692 1.00 30.13 C ATOM 373 CG LYS A 21 -22.681 -15.100 -4.992 1.00 2.34 C ATOM 374 CD LYS A 21 -21.507 -16.053 -5.137 1.00 44.02 C ATOM 375 CE LYS A 21 -21.526 -17.129 -4.063 1.00 21.33 C ATOM 376 NZ LYS A 21 -20.566 -18.228 -4.361 1.00 75.44 N ATOM 0 H LYS A 21 -22.255 -11.736 -7.064 1.00 23.03 H new ATOM 0 HA LYS A 21 -23.164 -14.275 -7.645 1.00 15.01 H new ATOM 0 HB2 LYS A 21 -21.382 -13.760 -6.037 1.00 30.13 H new ATOM 0 HB3 LYS A 21 -22.526 -12.967 -4.972 1.00 30.13 H new ATOM 0 HG2 LYS A 21 -22.876 -14.920 -3.935 1.00 2.34 H new ATOM 0 HG3 LYS A 21 -23.577 -15.560 -5.408 1.00 2.34 H new ATOM 0 HD2 LYS A 21 -21.536 -16.520 -6.122 1.00 44.02 H new ATOM 0 HD3 LYS A 21 -20.573 -15.494 -5.076 1.00 44.02 H new ATOM 0 HE2 LYS A 21 -21.280 -16.684 -3.099 1.00 21.33 H new ATOM 0 HE3 LYS A 21 -22.532 -17.539 -3.978 1.00 21.33 H new ATOM 0 HZ1 LYS A 21 -20.609 -18.941 -3.605 1.00 75.44 H new ATOM 0 HZ2 LYS A 21 -20.815 -18.670 -5.269 1.00 75.44 H new ATOM 0 HZ3 LYS A 21 -19.602 -17.841 -4.417 1.00 75.44 H new ATOM 421 N ALA A 25 -28.735 -6.301 -2.182 1.00 12.23 N ATOM 422 CA ALA A 25 -29.228 -6.371 -0.812 1.00 11.43 C ATOM 423 C ALA A 25 -28.138 -6.853 0.140 1.00 54.41 C ATOM 424 O ALA A 25 -28.097 -6.456 1.305 1.00 50.25 O ATOM 425 CB ALA A 25 -30.442 -7.285 -0.733 1.00 40.45 C ATOM 0 HA ALA A 25 -29.523 -5.367 -0.507 1.00 11.43 H new ATOM 0 HB1 ALA A 25 -30.799 -7.327 0.296 1.00 40.45 H new ATOM 0 HB2 ALA A 25 -31.232 -6.897 -1.376 1.00 40.45 H new ATOM 0 HB3 ALA A 25 -30.166 -8.286 -1.063 1.00 40.45 H new ATOM 431 N VAL A 26 -27.257 -7.711 -0.363 1.00 72.42 N ATOM 432 CA VAL A 26 -26.167 -8.248 0.442 1.00 5.53 C ATOM 433 C VAL A 26 -25.357 -7.128 1.086 1.00 1.41 C ATOM 434 O VAL A 26 -25.305 -7.010 2.310 1.00 62.10 O ATOM 435 CB VAL A 26 -25.225 -9.127 -0.402 1.00 10.22 C ATOM 436 CG1 VAL A 26 -24.129 -9.723 0.468 1.00 63.24 C ATOM 437 CG2 VAL A 26 -26.010 -10.221 -1.109 1.00 52.12 C ATOM 0 H VAL A 26 -27.277 -8.049 -1.325 1.00 72.42 H new ATOM 0 HA VAL A 26 -26.621 -8.860 1.221 1.00 5.53 H new ATOM 0 HB VAL A 26 -24.754 -8.501 -1.160 1.00 10.22 H new ATOM 0 HG11 VAL A 26 -23.473 -10.341 -0.145 1.00 63.24 H new ATOM 0 HG12 VAL A 26 -23.549 -8.920 0.924 1.00 63.24 H new ATOM 0 HG13 VAL A 26 -24.578 -10.336 1.250 1.00 63.24 H new ATOM 0 HG21 VAL A 26 -25.329 -10.833 -1.701 1.00 52.12 H new ATOM 0 HG22 VAL A 26 -26.510 -10.846 -0.369 1.00 52.12 H new ATOM 0 HG23 VAL A 26 -26.754 -9.769 -1.764 1.00 52.12 H new ATOM 447 N ALA A 27 -24.727 -6.306 0.253 1.00 63.22 N ATOM 448 CA ALA A 27 -23.921 -5.193 0.741 1.00 73.55 C ATOM 449 C ALA A 27 -24.728 -4.301 1.678 1.00 21.40 C ATOM 450 O ALA A 27 -24.251 -3.913 2.745 1.00 74.23 O ATOM 451 CB ALA A 27 -23.380 -4.382 -0.427 1.00 61.23 C ATOM 0 H ALA A 27 -24.759 -6.390 -0.763 1.00 63.22 H new ATOM 0 HA ALA A 27 -23.082 -5.603 1.304 1.00 73.55 H new ATOM 0 HB1 ALA A 27 -22.780 -3.554 -0.048 1.00 61.23 H new ATOM 0 HB2 ALA A 27 -22.761 -5.020 -1.057 1.00 61.23 H new ATOM 0 HB3 ALA A 27 -24.211 -3.989 -1.013 1.00 61.23 H new ATOM 457 N VAL A 28 -25.952 -3.979 1.273 1.00 52.10 N ATOM 458 CA VAL A 28 -26.825 -3.132 2.077 1.00 34.53 C ATOM 459 C VAL A 28 -27.047 -3.730 3.462 1.00 31.50 C ATOM 460 O VAL A 28 -26.623 -3.164 4.470 1.00 74.42 O ATOM 461 CB VAL A 28 -28.191 -2.926 1.395 1.00 44.41 C ATOM 462 CG1 VAL A 28 -29.069 -2.004 2.227 1.00 53.13 C ATOM 463 CG2 VAL A 28 -28.005 -2.374 -0.010 1.00 50.35 C ATOM 0 H VAL A 28 -26.362 -4.292 0.393 1.00 52.10 H new ATOM 0 HA VAL A 28 -26.327 -2.168 2.176 1.00 34.53 H new ATOM 0 HB VAL A 28 -28.690 -3.892 1.319 1.00 44.41 H new ATOM 0 HG11 VAL A 28 -30.030 -1.870 1.730 1.00 53.13 H new ATOM 0 HG12 VAL A 28 -29.228 -2.444 3.212 1.00 53.13 H new ATOM 0 HG13 VAL A 28 -28.579 -1.036 2.337 1.00 53.13 H new ATOM 0 HG21 VAL A 28 -28.979 -2.234 -0.478 1.00 50.35 H new ATOM 0 HG22 VAL A 28 -27.486 -1.417 0.041 1.00 50.35 H new ATOM 0 HG23 VAL A 28 -27.416 -3.075 -0.601 1.00 50.35 H new ATOM 473 N VAL A 29 -27.714 -4.880 3.505 1.00 51.44 N ATOM 474 CA VAL A 29 -27.991 -5.556 4.766 1.00 72.42 C ATOM 475 C VAL A 29 -26.714 -5.760 5.572 1.00 23.25 C ATOM 476 O VAL A 29 -26.653 -5.425 6.755 1.00 74.13 O ATOM 477 CB VAL A 29 -28.662 -6.923 4.534 1.00 72.33 C ATOM 478 CG1 VAL A 29 -28.919 -7.624 5.859 1.00 32.10 C ATOM 479 CG2 VAL A 29 -29.955 -6.755 3.750 1.00 34.24 C ATOM 0 H VAL A 29 -28.072 -5.362 2.681 1.00 51.44 H new ATOM 0 HA VAL A 29 -28.672 -4.915 5.326 1.00 72.42 H new ATOM 0 HB VAL A 29 -27.986 -7.545 3.947 1.00 72.33 H new ATOM 0 HG11 VAL A 29 -29.393 -8.588 5.675 1.00 32.10 H new ATOM 0 HG12 VAL A 29 -27.973 -7.778 6.378 1.00 32.10 H new ATOM 0 HG13 VAL A 29 -29.575 -7.009 6.475 1.00 32.10 H new ATOM 0 HG21 VAL A 29 -30.416 -7.731 3.595 1.00 34.24 H new ATOM 0 HG22 VAL A 29 -30.639 -6.115 4.308 1.00 34.24 H new ATOM 0 HG23 VAL A 29 -29.738 -6.299 2.784 1.00 34.24 H new ATOM 489 N GLY A 30 -25.692 -6.312 4.924 1.00 34.21 N ATOM 490 CA GLY A 30 -24.429 -6.551 5.597 1.00 62.14 C ATOM 491 C GLY A 30 -23.852 -5.291 6.211 1.00 64.13 C ATOM 492 O GLY A 30 -23.621 -5.231 7.418 1.00 35.51 O ATOM 0 H GLY A 30 -25.717 -6.598 3.945 1.00 34.21 H new ATOM 0 HA2 GLY A 30 -24.572 -7.299 6.377 1.00 62.14 H new ATOM 0 HA3 GLY A 30 -23.714 -6.965 4.886 1.00 62.14 H new ATOM 496 N GLN A 31 -23.616 -4.283 5.377 1.00 1.13 N ATOM 497 CA GLN A 31 -23.059 -3.019 5.846 1.00 34.30 C ATOM 498 C GLN A 31 -23.886 -2.454 6.997 1.00 64.13 C ATOM 499 O GLN A 31 -23.371 -2.230 8.092 1.00 43.13 O ATOM 500 CB GLN A 31 -23.000 -2.008 4.700 1.00 10.32 C ATOM 501 CG GLN A 31 -22.330 -0.697 5.080 1.00 64.23 C ATOM 502 CD GLN A 31 -21.985 0.153 3.873 1.00 54.22 C ATOM 503 OE1 GLN A 31 -21.782 -0.362 2.773 1.00 35.32 O ATOM 504 NE2 GLN A 31 -21.918 1.464 4.072 1.00 1.40 N ATOM 0 H GLN A 31 -23.801 -4.317 4.375 1.00 1.13 H new ATOM 0 HA GLN A 31 -22.048 -3.207 6.207 1.00 34.30 H new ATOM 0 HB2 GLN A 31 -22.462 -2.452 3.862 1.00 10.32 H new ATOM 0 HB3 GLN A 31 -24.013 -1.802 4.355 1.00 10.32 H new ATOM 0 HG2 GLN A 31 -22.990 -0.134 5.740 1.00 64.23 H new ATOM 0 HG3 GLN A 31 -21.421 -0.908 5.643 1.00 64.23 H new ATOM 0 HE21 GLN A 31 -22.094 1.849 5.000 1.00 1.40 H new ATOM 0 HE22 GLN A 31 -21.691 2.087 3.297 1.00 1.40 H new ATOM 513 N ALA A 32 -25.169 -2.226 6.740 1.00 15.34 N ATOM 514 CA ALA A 32 -26.067 -1.688 7.755 1.00 31.23 C ATOM 515 C ALA A 32 -25.997 -2.507 9.039 1.00 32.45 C ATOM 516 O ALA A 32 -25.732 -1.971 10.115 1.00 31.51 O ATOM 517 CB ALA A 32 -27.494 -1.648 7.230 1.00 74.14 C ATOM 0 H ALA A 32 -25.610 -2.405 5.838 1.00 15.34 H new ATOM 0 HA ALA A 32 -25.748 -0.672 7.985 1.00 31.23 H new ATOM 0 HB1 ALA A 32 -28.153 -1.244 7.998 1.00 74.14 H new ATOM 0 HB2 ALA A 32 -27.538 -1.014 6.344 1.00 74.14 H new ATOM 0 HB3 ALA A 32 -27.815 -2.657 6.971 1.00 74.14 H new ATOM 523 N ALA A 33 -26.237 -3.809 8.919 1.00 34.04 N ATOM 524 CA ALA A 33 -26.200 -4.702 10.071 1.00 72.13 C ATOM 525 C ALA A 33 -24.874 -4.584 10.814 1.00 31.33 C ATOM 526 O ALA A 33 -24.842 -4.525 12.044 1.00 53.00 O ATOM 527 CB ALA A 33 -26.435 -6.140 9.631 1.00 13.34 C ATOM 0 H ALA A 33 -26.459 -4.269 8.036 1.00 34.04 H new ATOM 0 HA ALA A 33 -26.997 -4.408 10.754 1.00 72.13 H new ATOM 0 HB1 ALA A 33 -26.405 -6.796 10.501 1.00 13.34 H new ATOM 0 HB2 ALA A 33 -27.410 -6.219 9.151 1.00 13.34 H new ATOM 0 HB3 ALA A 33 -25.658 -6.436 8.926 1.00 13.34 H new ATOM 533 N THR A 34 -23.779 -4.552 10.061 1.00 52.42 N ATOM 534 CA THR A 34 -22.450 -4.443 10.649 1.00 40.15 C ATOM 535 C THR A 34 -22.274 -3.110 11.368 1.00 71.52 C ATOM 536 O THR A 34 -21.707 -3.053 12.459 1.00 44.42 O ATOM 537 CB THR A 34 -21.350 -4.586 9.580 1.00 41.42 C ATOM 538 OG1 THR A 34 -21.452 -5.862 8.939 1.00 54.25 O ATOM 539 CG2 THR A 34 -19.969 -4.434 10.201 1.00 54.34 C ATOM 0 H THR A 34 -23.787 -4.600 9.042 1.00 52.42 H new ATOM 0 HA THR A 34 -22.355 -5.256 11.369 1.00 40.15 H new ATOM 0 HB THR A 34 -21.488 -3.797 8.841 1.00 41.42 H new ATOM 0 HG1 THR A 34 -22.136 -5.822 8.238 1.00 54.25 H new ATOM 0 HG21 THR A 34 -19.209 -4.539 9.427 1.00 54.34 H new ATOM 0 HG22 THR A 34 -19.884 -3.450 10.663 1.00 54.34 H new ATOM 0 HG23 THR A 34 -19.824 -5.204 10.959 1.00 54.34 H new ATOM 547 N VAL A 35 -22.765 -2.041 10.750 1.00 1.54 N ATOM 548 CA VAL A 35 -22.664 -0.708 11.333 1.00 5.11 C ATOM 549 C VAL A 35 -23.535 -0.585 12.578 1.00 3.31 C ATOM 550 O VAL A 35 -23.147 0.047 13.561 1.00 44.23 O ATOM 551 CB VAL A 35 -23.075 0.379 10.323 1.00 43.44 C ATOM 552 CG1 VAL A 35 -22.966 1.761 10.950 1.00 20.43 C ATOM 553 CG2 VAL A 35 -22.223 0.287 9.066 1.00 42.44 C ATOM 0 H VAL A 35 -23.237 -2.072 9.846 1.00 1.54 H new ATOM 0 HA VAL A 35 -21.620 -0.561 11.608 1.00 5.11 H new ATOM 0 HB VAL A 35 -24.116 0.215 10.043 1.00 43.44 H new ATOM 0 HG11 VAL A 35 -23.261 2.516 10.221 1.00 20.43 H new ATOM 0 HG12 VAL A 35 -23.623 1.819 11.818 1.00 20.43 H new ATOM 0 HG13 VAL A 35 -21.937 1.939 11.261 1.00 20.43 H new ATOM 0 HG21 VAL A 35 -22.527 1.063 8.363 1.00 42.44 H new ATOM 0 HG22 VAL A 35 -21.174 0.425 9.327 1.00 42.44 H new ATOM 0 HG23 VAL A 35 -22.357 -0.692 8.606 1.00 42.44 H new ATOM 563 N VAL A 36 -24.715 -1.194 12.530 1.00 14.41 N ATOM 564 CA VAL A 36 -25.642 -1.154 13.655 1.00 53.11 C ATOM 565 C VAL A 36 -25.161 -2.044 14.795 1.00 31.12 C ATOM 566 O VAL A 36 -24.974 -1.583 15.921 1.00 21.03 O ATOM 567 CB VAL A 36 -27.056 -1.598 13.233 1.00 3.43 C ATOM 568 CG1 VAL A 36 -28.011 -1.530 14.415 1.00 73.52 C ATOM 569 CG2 VAL A 36 -27.560 -0.743 12.080 1.00 20.20 C ATOM 0 H VAL A 36 -25.052 -1.721 11.724 1.00 14.41 H new ATOM 0 HA VAL A 36 -25.681 -0.120 13.997 1.00 53.11 H new ATOM 0 HB VAL A 36 -27.008 -2.633 12.894 1.00 3.43 H new ATOM 0 HG11 VAL A 36 -29.005 -1.847 14.099 1.00 73.52 H new ATOM 0 HG12 VAL A 36 -27.656 -2.188 15.208 1.00 73.52 H new ATOM 0 HG13 VAL A 36 -28.058 -0.506 14.786 1.00 73.52 H new ATOM 0 HG21 VAL A 36 -28.560 -1.070 11.794 1.00 20.20 H new ATOM 0 HG22 VAL A 36 -27.594 0.302 12.390 1.00 20.20 H new ATOM 0 HG23 VAL A 36 -26.887 -0.847 11.229 1.00 20.20 H new ATOM 579 N LYS A 37 -24.962 -3.323 14.496 1.00 22.31 N ATOM 580 CA LYS A 37 -24.500 -4.280 15.495 1.00 73.12 C ATOM 581 C LYS A 37 -22.988 -4.193 15.674 1.00 60.03 C ATOM 582 O LYS A 37 -22.501 -3.700 16.691 1.00 1.33 O ATOM 583 CB LYS A 37 -24.896 -5.702 15.090 1.00 45.03 C ATOM 584 CG LYS A 37 -24.537 -6.752 16.127 1.00 15.24 C ATOM 585 CD LYS A 37 -24.764 -8.158 15.599 1.00 74.21 C ATOM 586 CE LYS A 37 -23.813 -9.156 16.242 1.00 12.44 C ATOM 587 NZ LYS A 37 -23.472 -10.272 15.318 1.00 64.00 N ATOM 0 H LYS A 37 -25.113 -3.721 13.569 1.00 22.31 H new ATOM 0 HA LYS A 37 -24.975 -4.034 16.445 1.00 73.12 H new ATOM 0 HB2 LYS A 37 -25.971 -5.734 14.910 1.00 45.03 H new ATOM 0 HB3 LYS A 37 -24.408 -5.952 14.148 1.00 45.03 H new ATOM 0 HG2 LYS A 37 -23.493 -6.636 16.417 1.00 15.24 H new ATOM 0 HG3 LYS A 37 -25.136 -6.598 17.024 1.00 15.24 H new ATOM 0 HD2 LYS A 37 -25.794 -8.459 15.793 1.00 74.21 H new ATOM 0 HD3 LYS A 37 -24.627 -8.168 14.518 1.00 74.21 H new ATOM 0 HE2 LYS A 37 -22.900 -8.644 16.545 1.00 12.44 H new ATOM 0 HE3 LYS A 37 -24.268 -9.560 17.147 1.00 12.44 H new ATOM 0 HZ1 LYS A 37 -22.822 -10.930 15.794 1.00 64.00 H new ATOM 0 HZ2 LYS A 37 -24.340 -10.777 15.048 1.00 64.00 H new ATOM 0 HZ3 LYS A 37 -23.015 -9.890 14.466 1.00 64.00 H new