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= -0.28 X(o=-0.28,f=-0.43) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 -0.670 -3.501 0.117 1.00 51.41 N ATOM 50 CA LYS A 3 -1.804 -3.033 0.905 1.00 52.31 C ATOM 51 C LYS A 3 -2.858 -2.387 0.011 1.00 33.11 C ATOM 52 O LYS A 3 -3.971 -2.898 -0.120 1.00 40.15 O ATOM 53 CB LYS A 3 -1.337 -2.033 1.965 1.00 53.30 C ATOM 54 CG LYS A 3 -2.331 -1.838 3.097 1.00 51.31 C ATOM 55 CD LYS A 3 -1.792 -2.376 4.412 1.00 45.54 C ATOM 56 CE LYS A 3 -2.843 -3.184 5.157 1.00 42.15 C ATOM 57 NZ LYS A 3 -2.793 -2.939 6.625 1.00 72.04 N ATOM 0 HA LYS A 3 -2.251 -3.895 1.400 1.00 52.31 H new ATOM 0 HB2 LYS A 3 -0.388 -2.373 2.380 1.00 53.30 H new ATOM 0 HB3 LYS A 3 -1.150 -1.071 1.488 1.00 53.30 H new ATOM 0 HG2 LYS A 3 -2.559 -0.777 3.203 1.00 51.31 H new ATOM 0 HG3 LYS A 3 -3.266 -2.342 2.852 1.00 51.31 H new ATOM 0 HD2 LYS A 3 -0.920 -3.001 4.220 1.00 45.54 H new ATOM 0 HD3 LYS A 3 -1.459 -1.547 5.036 1.00 45.54 H new ATOM 0 HE2 LYS A 3 -3.833 -2.928 4.780 1.00 42.15 H new ATOM 0 HE3 LYS A 3 -2.692 -4.245 4.961 1.00 42.15 H new ATOM 0 HZ1 LYS A 3 -3.525 -3.508 7.097 1.00 72.04 H new ATOM 0 HZ2 LYS A 3 -1.857 -3.207 6.990 1.00 72.04 H new ATOM 0 HZ3 LYS A 3 -2.963 -1.931 6.815 1.00 72.04 H new ATOM 71 N ILE A 4 -2.500 -1.264 -0.601 1.00 54.34 N ATOM 72 CA ILE A 4 -3.415 -0.551 -1.485 1.00 11.15 C ATOM 73 C ILE A 4 -3.975 -1.477 -2.559 1.00 51.31 C ATOM 74 O ILE A 4 -5.187 -1.542 -2.768 1.00 22.05 O ATOM 75 CB ILE A 4 -2.724 0.646 -2.164 1.00 2.24 C ATOM 76 CG1 ILE A 4 -2.158 1.601 -1.110 1.00 54.23 C ATOM 77 CG2 ILE A 4 -3.700 1.373 -3.076 1.00 43.45 C ATOM 78 CD1 ILE A 4 -3.212 2.181 -0.193 1.00 20.03 C ATOM 0 H ILE A 4 -1.583 -0.828 -0.502 1.00 54.34 H new ATOM 0 HA ILE A 4 -4.232 -0.184 -0.864 1.00 11.15 H new ATOM 0 HB ILE A 4 -1.898 0.274 -2.771 1.00 2.24 H new ATOM 0 HG12 ILE A 4 -1.418 1.071 -0.510 1.00 54.23 H new ATOM 0 HG13 ILE A 4 -1.636 2.416 -1.612 1.00 54.23 H new ATOM 0 HG21 ILE A 4 -3.197 2.217 -3.549 1.00 43.45 H new ATOM 0 HG22 ILE A 4 -4.059 0.688 -3.844 1.00 43.45 H new ATOM 0 HG23 ILE A 4 -4.544 1.736 -2.490 1.00 43.45 H new ATOM 0 HD11 ILE A 4 -2.740 2.848 0.528 1.00 20.03 H new ATOM 0 HD12 ILE A 4 -3.939 2.740 -0.782 1.00 20.03 H new ATOM 0 HD13 ILE A 4 -3.718 1.374 0.337 1.00 20.03 H new ATOM 90 N PHE A 5 -3.085 -2.193 -3.238 1.00 10.21 N ATOM 91 CA PHE A 5 -3.490 -3.117 -4.291 1.00 50.41 C ATOM 92 C PHE A 5 -4.553 -4.087 -3.784 1.00 63.11 C ATOM 93 O PHE A 5 -5.688 -4.087 -4.260 1.00 15.54 O ATOM 94 CB PHE A 5 -2.279 -3.894 -4.810 1.00 61.30 C ATOM 95 CG PHE A 5 -1.813 -3.444 -6.165 1.00 72.33 C ATOM 96 CD1 PHE A 5 -1.149 -2.238 -6.319 1.00 32.00 C ATOM 97 CD2 PHE A 5 -2.040 -4.227 -7.286 1.00 32.44 C ATOM 98 CE1 PHE A 5 -0.719 -1.821 -7.565 1.00 30.04 C ATOM 99 CE2 PHE A 5 -1.612 -3.816 -8.534 1.00 0.24 C ATOM 100 CZ PHE A 5 -0.952 -2.611 -8.673 1.00 42.35 C ATOM 0 H PHE A 5 -2.079 -2.151 -3.078 1.00 10.21 H new ATOM 0 HA PHE A 5 -3.916 -2.534 -5.108 1.00 50.41 H new ATOM 0 HB2 PHE A 5 -1.459 -3.790 -4.100 1.00 61.30 H new ATOM 0 HB3 PHE A 5 -2.529 -4.954 -4.854 1.00 61.30 H new ATOM 0 HD1 PHE A 5 -0.965 -1.616 -5.455 1.00 32.00 H new ATOM 0 HD2 PHE A 5 -2.557 -5.169 -7.183 1.00 32.44 H new ATOM 0 HE1 PHE A 5 -0.202 -0.879 -7.671 1.00 30.04 H new ATOM 0 HE2 PHE A 5 -1.793 -4.436 -9.399 1.00 0.24 H new ATOM 0 HZ PHE A 5 -0.618 -2.287 -9.648 1.00 42.35 H new ATOM 110 N LYS A 6 -4.176 -4.915 -2.816 1.00 25.02 N ATOM 111 CA LYS A 6 -5.094 -5.891 -2.242 1.00 71.31 C ATOM 112 C LYS A 6 -6.377 -5.217 -1.767 1.00 32.24 C ATOM 113 O LYS A 6 -7.476 -5.730 -1.980 1.00 11.12 O ATOM 114 CB LYS A 6 -4.428 -6.625 -1.076 1.00 12.44 C ATOM 115 CG LYS A 6 -5.136 -7.910 -0.682 1.00 4.22 C ATOM 116 CD LYS A 6 -4.233 -8.813 0.141 1.00 20.53 C ATOM 117 CE LYS A 6 -3.163 -9.466 -0.720 1.00 62.31 C ATOM 118 NZ LYS A 6 -3.278 -10.951 -0.718 1.00 14.11 N ATOM 0 H LYS A 6 -3.240 -4.929 -2.412 1.00 25.02 H new ATOM 0 HA LYS A 6 -5.349 -6.613 -3.018 1.00 71.31 H new ATOM 0 HB2 LYS A 6 -3.397 -6.856 -1.344 1.00 12.44 H new ATOM 0 HB3 LYS A 6 -4.392 -5.961 -0.213 1.00 12.44 H new ATOM 0 HG2 LYS A 6 -6.033 -7.672 -0.110 1.00 4.22 H new ATOM 0 HG3 LYS A 6 -5.460 -8.438 -1.579 1.00 4.22 H new ATOM 0 HD2 LYS A 6 -3.760 -8.232 0.933 1.00 20.53 H new ATOM 0 HD3 LYS A 6 -4.832 -9.584 0.626 1.00 20.53 H new ATOM 0 HE2 LYS A 6 -3.245 -9.097 -1.742 1.00 62.31 H new ATOM 0 HE3 LYS A 6 -2.177 -9.178 -0.355 1.00 62.31 H new ATOM 0 HZ1 LYS A 6 -2.531 -11.358 -1.316 1.00 14.11 H new ATOM 0 HZ2 LYS A 6 -3.175 -11.306 0.254 1.00 14.11 H new ATOM 0 HZ3 LYS A 6 -4.209 -11.228 -1.090 1.00 14.11 H new ATOM 132 N LYS A 7 -6.231 -4.064 -1.123 1.00 23.34 N ATOM 133 CA LYS A 7 -7.377 -3.318 -0.619 1.00 54.41 C ATOM 134 C LYS A 7 -8.326 -2.946 -1.755 1.00 4.55 C ATOM 135 O LYS A 7 -9.448 -3.446 -1.827 1.00 33.10 O ATOM 136 CB LYS A 7 -6.910 -2.053 0.105 1.00 55.32 C ATOM 137 CG LYS A 7 -8.031 -1.305 0.808 1.00 63.45 C ATOM 138 CD LYS A 7 -8.274 -1.851 2.205 1.00 40.42 C ATOM 139 CE LYS A 7 -9.757 -1.873 2.544 1.00 5.21 C ATOM 140 NZ LYS A 7 -10.035 -1.223 3.855 1.00 54.25 N ATOM 0 H LYS A 7 -5.329 -3.626 -0.938 1.00 23.34 H new ATOM 0 HA LYS A 7 -7.913 -3.955 0.085 1.00 54.41 H new ATOM 0 HB2 LYS A 7 -6.150 -2.324 0.838 1.00 55.32 H new ATOM 0 HB3 LYS A 7 -6.436 -1.386 -0.615 1.00 55.32 H new ATOM 0 HG2 LYS A 7 -7.781 -0.246 0.869 1.00 63.45 H new ATOM 0 HG3 LYS A 7 -8.946 -1.383 0.221 1.00 63.45 H new ATOM 0 HD2 LYS A 7 -7.868 -2.860 2.278 1.00 40.42 H new ATOM 0 HD3 LYS A 7 -7.742 -1.239 2.934 1.00 40.42 H new ATOM 0 HE2 LYS A 7 -10.317 -1.363 1.760 1.00 5.21 H new ATOM 0 HE3 LYS A 7 -10.109 -2.904 2.568 1.00 5.21 H new ATOM 0 HZ1 LYS A 7 -11.056 -1.258 4.050 1.00 54.25 H new ATOM 0 HZ2 LYS A 7 -9.521 -1.725 4.607 1.00 54.25 H new ATOM 0 HZ3 LYS A 7 -9.722 -0.232 3.824 1.00 54.25 H new ATOM 154 N ILE A 8 -7.866 -2.067 -2.639 1.00 13.53 N ATOM 155 CA ILE A 8 -8.673 -1.630 -3.772 1.00 32.54 C ATOM 156 C ILE A 8 -9.213 -2.823 -4.553 1.00 71.24 C ATOM 157 O ILE A 8 -10.372 -2.833 -4.966 1.00 72.33 O ATOM 158 CB ILE A 8 -7.866 -0.729 -4.724 1.00 64.54 C ATOM 159 CG1 ILE A 8 -7.328 0.491 -3.974 1.00 71.12 C ATOM 160 CG2 ILE A 8 -8.727 -0.297 -5.902 1.00 23.33 C ATOM 161 CD1 ILE A 8 -8.413 1.359 -3.376 1.00 71.31 C ATOM 0 H ILE A 8 -6.939 -1.644 -2.593 1.00 13.53 H new ATOM 0 HA ILE A 8 -9.506 -1.058 -3.365 1.00 32.54 H new ATOM 0 HB ILE A 8 -7.019 -1.298 -5.108 1.00 64.54 H new ATOM 0 HG12 ILE A 8 -6.663 0.154 -3.178 1.00 71.12 H new ATOM 0 HG13 ILE A 8 -6.728 1.092 -4.657 1.00 71.12 H new ATOM 0 HG21 ILE A 8 -8.142 0.340 -6.566 1.00 23.33 H new ATOM 0 HG22 ILE A 8 -9.065 -1.178 -6.448 1.00 23.33 H new ATOM 0 HG23 ILE A 8 -9.592 0.257 -5.537 1.00 23.33 H new ATOM 0 HD11 ILE A 8 -7.959 2.205 -2.860 1.00 71.31 H new ATOM 0 HD12 ILE A 8 -9.064 1.725 -4.169 1.00 71.31 H new ATOM 0 HD13 ILE A 8 -8.998 0.773 -2.667 1.00 71.31 H new ATOM 173 N GLU A 9 -8.365 -3.827 -4.751 1.00 63.41 N ATOM 174 CA GLU A 9 -8.758 -5.026 -5.483 1.00 2.13 C ATOM 175 C GLU A 9 -9.906 -5.741 -4.778 1.00 35.54 C ATOM 176 O GLU A 9 -10.908 -6.096 -5.400 1.00 12.43 O ATOM 177 CB GLU A 9 -7.566 -5.974 -5.631 1.00 0.03 C ATOM 178 CG GLU A 9 -6.567 -5.535 -6.688 1.00 60.32 C ATOM 179 CD GLU A 9 -7.098 -5.705 -8.098 1.00 50.44 C ATOM 180 OE1 GLU A 9 -8.171 -6.324 -8.259 1.00 5.42 O ATOM 181 OE2 GLU A 9 -6.440 -5.217 -9.042 1.00 34.33 O ATOM 0 H GLU A 9 -7.402 -3.834 -4.415 1.00 63.41 H new ATOM 0 HA GLU A 9 -9.096 -4.722 -6.474 1.00 2.13 H new ATOM 0 HB2 GLU A 9 -7.055 -6.054 -4.671 1.00 0.03 H new ATOM 0 HB3 GLU A 9 -7.933 -6.969 -5.881 1.00 0.03 H new ATOM 0 HG2 GLU A 9 -6.307 -4.489 -6.525 1.00 60.32 H new ATOM 0 HG3 GLU A 9 -5.649 -6.112 -6.577 1.00 60.32 H new ATOM 188 N LYS A 10 -9.754 -5.952 -3.475 1.00 3.24 N ATOM 189 CA LYS A 10 -10.777 -6.624 -2.682 1.00 64.14 C ATOM 190 C LYS A 10 -12.049 -5.786 -2.613 1.00 74.45 C ATOM 191 O LYS A 10 -13.120 -6.230 -3.029 1.00 20.34 O ATOM 192 CB LYS A 10 -10.257 -6.900 -1.269 1.00 55.44 C ATOM 193 CG LYS A 10 -11.049 -7.962 -0.527 1.00 31.11 C ATOM 194 CD LYS A 10 -10.631 -9.362 -0.944 1.00 72.21 C ATOM 195 CE LYS A 10 -11.238 -10.419 -0.034 1.00 63.30 C ATOM 196 NZ LYS A 10 -10.596 -11.749 -0.224 1.00 61.55 N ATOM 0 H LYS A 10 -8.931 -5.667 -2.945 1.00 3.24 H new ATOM 0 HA LYS A 10 -11.013 -7.571 -3.167 1.00 64.14 H new ATOM 0 HB2 LYS A 10 -9.214 -7.212 -1.329 1.00 55.44 H new ATOM 0 HB3 LYS A 10 -10.280 -5.974 -0.695 1.00 55.44 H new ATOM 0 HG2 LYS A 10 -10.903 -7.842 0.547 1.00 31.11 H new ATOM 0 HG3 LYS A 10 -12.113 -7.826 -0.721 1.00 31.11 H new ATOM 0 HD2 LYS A 10 -10.941 -9.544 -1.973 1.00 72.21 H new ATOM 0 HD3 LYS A 10 -9.544 -9.441 -0.920 1.00 72.21 H new ATOM 0 HE2 LYS A 10 -11.130 -10.109 1.005 1.00 63.30 H new ATOM 0 HE3 LYS A 10 -12.307 -10.500 -0.233 1.00 63.30 H new ATOM 0 HZ1 LYS A 10 -11.037 -12.442 0.414 1.00 61.55 H new ATOM 0 HZ2 LYS A 10 -10.721 -12.057 -1.209 1.00 61.55 H new ATOM 0 HZ3 LYS A 10 -9.581 -11.678 -0.009 1.00 61.55 H new ATOM 210 N VAL A 11 -11.925 -4.572 -2.088 1.00 14.23 N ATOM 211 CA VAL A 11 -13.065 -3.671 -1.967 1.00 54.10 C ATOM 212 C VAL A 11 -13.751 -3.468 -3.314 1.00 22.53 C ATOM 213 O VAL A 11 -14.960 -3.252 -3.380 1.00 70.13 O ATOM 214 CB VAL A 11 -12.641 -2.300 -1.408 1.00 45.24 C ATOM 215 CG1 VAL A 11 -13.838 -1.366 -1.316 1.00 60.40 C ATOM 216 CG2 VAL A 11 -11.974 -2.462 -0.050 1.00 52.44 C ATOM 0 H VAL A 11 -11.046 -4.189 -1.739 1.00 14.23 H new ATOM 0 HA VAL A 11 -13.764 -4.138 -1.273 1.00 54.10 H new ATOM 0 HB VAL A 11 -11.918 -1.856 -2.092 1.00 45.24 H new ATOM 0 HG11 VAL A 11 -13.518 -0.403 -0.919 1.00 60.40 H new ATOM 0 HG12 VAL A 11 -14.267 -1.225 -2.308 1.00 60.40 H new ATOM 0 HG13 VAL A 11 -14.588 -1.800 -0.655 1.00 60.40 H new ATOM 0 HG21 VAL A 11 -11.681 -1.484 0.330 1.00 52.44 H new ATOM 0 HG22 VAL A 11 -12.673 -2.927 0.645 1.00 52.44 H new ATOM 0 HG23 VAL A 11 -11.090 -3.092 -0.152 1.00 52.44 H new ATOM 226 N GLY A 12 -12.969 -3.541 -4.387 1.00 3.14 N ATOM 227 CA GLY A 12 -13.518 -3.364 -5.718 1.00 41.22 C ATOM 228 C GLY A 12 -14.280 -4.583 -6.198 1.00 20.11 C ATOM 229 O GLY A 12 -15.354 -4.460 -6.788 1.00 24.04 O ATOM 0 H GLY A 12 -11.965 -3.720 -4.358 1.00 3.14 H new ATOM 0 HA2 GLY A 12 -14.182 -2.500 -5.722 1.00 41.22 H new ATOM 0 HA3 GLY A 12 -12.709 -3.147 -6.415 1.00 41.22 H new ATOM 233 N ARG A 13 -13.723 -5.764 -5.947 1.00 14.54 N ATOM 234 CA ARG A 13 -14.356 -7.010 -6.360 1.00 34.13 C ATOM 235 C ARG A 13 -15.562 -7.325 -5.479 1.00 72.53 C ATOM 236 O ARG A 13 -16.542 -7.910 -5.938 1.00 72.35 O ATOM 237 CB ARG A 13 -13.352 -8.162 -6.298 1.00 45.04 C ATOM 238 CG ARG A 13 -12.397 -8.201 -7.481 1.00 33.32 C ATOM 239 CD ARG A 13 -11.557 -9.469 -7.477 1.00 0.25 C ATOM 240 NE ARG A 13 -10.307 -9.294 -6.742 1.00 21.22 N ATOM 241 CZ ARG A 13 -9.419 -10.266 -6.561 1.00 13.35 C ATOM 242 NH1 ARG A 13 -9.643 -11.474 -7.058 1.00 70.03 N ATOM 243 NH2 ARG A 13 -8.305 -10.029 -5.880 1.00 63.24 N ATOM 0 H ARG A 13 -12.835 -5.883 -5.460 1.00 14.54 H new ATOM 0 HA ARG A 13 -14.699 -6.891 -7.388 1.00 34.13 H new ATOM 0 HB2 ARG A 13 -12.774 -8.080 -5.378 1.00 45.04 H new ATOM 0 HB3 ARG A 13 -13.896 -9.105 -6.250 1.00 45.04 H new ATOM 0 HG2 ARG A 13 -12.964 -8.142 -8.410 1.00 33.32 H new ATOM 0 HG3 ARG A 13 -11.743 -7.330 -7.451 1.00 33.32 H new ATOM 0 HD2 ARG A 13 -12.130 -10.282 -7.030 1.00 0.25 H new ATOM 0 HD3 ARG A 13 -11.336 -9.761 -8.504 1.00 0.25 H new ATOM 0 HE ARG A 13 -10.105 -8.376 -6.346 1.00 21.22 H new ATOM 0 HH11 ARG A 13 -10.499 -11.660 -7.581 1.00 70.03 H new ATOM 0 HH12 ARG A 13 -8.960 -12.218 -6.917 1.00 70.03 H new ATOM 0 HH21 ARG A 13 -8.130 -9.101 -5.495 1.00 63.24 H new ATOM 0 HH22 ARG A 13 -7.624 -10.775 -5.741 1.00 63.24 H new ATOM 257 N ASN A 14 -15.481 -6.934 -4.212 1.00 14.12 N ATOM 258 CA ASN A 14 -16.565 -7.176 -3.267 1.00 14.24 C ATOM 259 C ASN A 14 -17.894 -6.673 -3.823 1.00 33.52 C ATOM 260 O ASN A 14 -18.847 -7.439 -3.971 1.00 20.12 O ATOM 261 CB ASN A 14 -16.268 -6.492 -1.931 1.00 5.41 C ATOM 262 CG ASN A 14 -15.704 -7.453 -0.902 1.00 11.30 C ATOM 263 OD1 ASN A 14 -14.500 -7.704 -0.866 1.00 24.55 O ATOM 264 ND2 ASN A 14 -16.576 -7.995 -0.060 1.00 3.15 N ATOM 0 H ASN A 14 -14.676 -6.448 -3.816 1.00 14.12 H new ATOM 0 HA ASN A 14 -16.641 -8.252 -3.108 1.00 14.24 H new ATOM 0 HB2 ASN A 14 -15.560 -5.679 -2.092 1.00 5.41 H new ATOM 0 HB3 ASN A 14 -17.183 -6.045 -1.543 1.00 5.41 H new ATOM 0 HD21 ASN A 14 -16.256 -8.649 0.654 1.00 3.15 H new ATOM 0 HD22 ASN A 14 -17.566 -7.757 -0.127 1.00 3.15 H new ATOM 271 N VAL A 15 -17.951 -5.381 -4.130 1.00 65.40 N ATOM 272 CA VAL A 15 -19.161 -4.776 -4.672 1.00 35.33 C ATOM 273 C VAL A 15 -19.619 -5.497 -5.935 1.00 25.43 C ATOM 274 O VAL A 15 -20.757 -5.958 -6.021 1.00 50.34 O ATOM 275 CB VAL A 15 -18.948 -3.285 -4.994 1.00 32.33 C ATOM 276 CG1 VAL A 15 -20.262 -2.633 -5.397 1.00 44.30 C ATOM 277 CG2 VAL A 15 -18.330 -2.567 -3.804 1.00 3.10 C ATOM 0 H VAL A 15 -17.172 -4.733 -4.012 1.00 65.40 H new ATOM 0 HA VAL A 15 -19.931 -4.868 -3.906 1.00 35.33 H new ATOM 0 HB VAL A 15 -18.259 -3.207 -5.835 1.00 32.33 H new ATOM 0 HG11 VAL A 15 -20.092 -1.580 -5.621 1.00 44.30 H new ATOM 0 HG12 VAL A 15 -20.660 -3.132 -6.281 1.00 44.30 H new ATOM 0 HG13 VAL A 15 -20.977 -2.719 -4.579 1.00 44.30 H new ATOM 0 HG21 VAL A 15 -18.186 -1.515 -4.049 1.00 3.10 H new ATOM 0 HG22 VAL A 15 -18.993 -2.652 -2.943 1.00 3.10 H new ATOM 0 HG23 VAL A 15 -17.367 -3.019 -3.566 1.00 3.10 H new ATOM 287 N ARG A 16 -18.723 -5.593 -6.912 1.00 40.51 N ATOM 288 CA ARG A 16 -19.034 -6.257 -8.172 1.00 35.44 C ATOM 289 C ARG A 16 -19.616 -7.646 -7.924 1.00 31.20 C ATOM 290 O ARG A 16 -20.767 -7.918 -8.267 1.00 21.35 O ATOM 291 CB ARG A 16 -17.779 -6.366 -9.040 1.00 14.34 C ATOM 292 CG ARG A 16 -17.820 -5.490 -10.281 1.00 0.51 C ATOM 293 CD ARG A 16 -18.697 -6.098 -11.364 1.00 31.00 C ATOM 294 NE ARG A 16 -18.333 -5.621 -12.695 1.00 50.14 N ATOM 295 CZ ARG A 16 -17.299 -6.088 -13.386 1.00 41.11 C ATOM 296 NH1 ARG A 16 -16.531 -7.040 -12.874 1.00 41.31 N ATOM 297 NH2 ARG A 16 -17.032 -5.603 -14.592 1.00 63.10 N ATOM 0 H ARG A 16 -17.776 -5.219 -6.855 1.00 40.51 H new ATOM 0 HA ARG A 16 -19.778 -5.657 -8.696 1.00 35.44 H new ATOM 0 HB2 ARG A 16 -16.909 -6.094 -8.442 1.00 14.34 H new ATOM 0 HB3 ARG A 16 -17.646 -7.405 -9.343 1.00 14.34 H new ATOM 0 HG2 ARG A 16 -18.198 -4.502 -10.018 1.00 0.51 H new ATOM 0 HG3 ARG A 16 -16.809 -5.353 -10.664 1.00 0.51 H new ATOM 0 HD2 ARG A 16 -18.611 -7.184 -11.332 1.00 31.00 H new ATOM 0 HD3 ARG A 16 -19.741 -5.854 -11.165 1.00 31.00 H new ATOM 0 HE ARG A 16 -18.904 -4.889 -13.118 1.00 50.14 H new ATOM 0 HH11 ARG A 16 -16.734 -7.415 -11.948 1.00 41.31 H new ATOM 0 HH12 ARG A 16 -15.738 -7.397 -13.407 1.00 41.31 H new ATOM 0 HH21 ARG A 16 -17.621 -4.871 -14.989 1.00 63.10 H new ATOM 0 HH22 ARG A 16 -16.238 -5.962 -15.122 1.00 63.10 H new ATOM 311 N ASP A 17 -18.813 -8.520 -7.328 1.00 20.42 N ATOM 312 CA ASP A 17 -19.248 -9.881 -7.034 1.00 23.03 C ATOM 313 C ASP A 17 -20.571 -9.877 -6.275 1.00 54.35 C ATOM 314 O ASP A 17 -21.494 -10.617 -6.613 1.00 12.00 O ATOM 315 CB ASP A 17 -18.181 -10.615 -6.219 1.00 14.00 C ATOM 316 CG ASP A 17 -16.990 -11.026 -7.062 1.00 32.43 C ATOM 317 OD1 ASP A 17 -17.076 -12.071 -7.742 1.00 14.52 O ATOM 318 OD2 ASP A 17 -15.972 -10.304 -7.042 1.00 11.11 O ATOM 0 H ASP A 17 -17.857 -8.311 -7.039 1.00 20.42 H new ATOM 0 HA ASP A 17 -19.394 -10.402 -7.980 1.00 23.03 H new ATOM 0 HB2 ASP A 17 -17.843 -9.972 -5.406 1.00 14.00 H new ATOM 0 HB3 ASP A 17 -18.622 -11.501 -5.762 1.00 14.00 H new ATOM 323 N GLY A 18 -20.656 -9.037 -5.248 1.00 33.44 N ATOM 324 CA GLY A 18 -21.870 -8.953 -4.457 1.00 32.42 C ATOM 325 C GLY A 18 -23.086 -8.612 -5.295 1.00 70.34 C ATOM 326 O GLY A 18 -24.136 -9.242 -5.163 1.00 62.33 O ATOM 0 H GLY A 18 -19.906 -8.413 -4.950 1.00 33.44 H new ATOM 0 HA2 GLY A 18 -22.037 -9.904 -3.951 1.00 32.42 H new ATOM 0 HA3 GLY A 18 -21.743 -8.197 -3.682 1.00 32.42 H new ATOM 330 N ILE A 19 -22.946 -7.612 -6.159 1.00 25.32 N ATOM 331 CA ILE A 19 -24.042 -7.189 -7.021 1.00 44.43 C ATOM 332 C ILE A 19 -24.356 -8.248 -8.072 1.00 23.43 C ATOM 333 O ILE A 19 -25.484 -8.733 -8.160 1.00 70.45 O ATOM 334 CB ILE A 19 -23.719 -5.860 -7.730 1.00 13.55 C ATOM 335 CG1 ILE A 19 -23.467 -4.756 -6.700 1.00 52.01 C ATOM 336 CG2 ILE A 19 -24.854 -5.469 -8.665 1.00 64.43 C ATOM 337 CD1 ILE A 19 -22.687 -3.583 -7.251 1.00 13.31 C ATOM 0 H ILE A 19 -22.084 -7.080 -6.280 1.00 25.32 H new ATOM 0 HA ILE A 19 -24.912 -7.048 -6.379 1.00 44.43 H new ATOM 0 HB ILE A 19 -22.814 -5.992 -8.323 1.00 13.55 H new ATOM 0 HG12 ILE A 19 -24.424 -4.399 -6.320 1.00 52.01 H new ATOM 0 HG13 ILE A 19 -22.925 -5.177 -5.853 1.00 52.01 H new ATOM 0 HG21 ILE A 19 -24.611 -4.528 -9.159 1.00 64.43 H new ATOM 0 HG22 ILE A 19 -24.992 -6.247 -9.415 1.00 64.43 H new ATOM 0 HG23 ILE A 19 -25.773 -5.351 -8.092 1.00 64.43 H new ATOM 0 HD11 ILE A 19 -22.546 -2.839 -6.467 1.00 13.31 H new ATOM 0 HD12 ILE A 19 -21.715 -3.926 -7.605 1.00 13.31 H new ATOM 0 HD13 ILE A 19 -23.238 -3.137 -8.079 1.00 13.31 H new ATOM 349 N ILE A 20 -23.350 -8.604 -8.864 1.00 73.32 N ATOM 350 CA ILE A 20 -23.519 -9.609 -9.907 1.00 23.04 C ATOM 351 C ILE A 20 -24.122 -10.891 -9.342 1.00 41.14 C ATOM 352 O ILE A 20 -25.075 -11.439 -9.897 1.00 43.22 O ATOM 353 CB ILE A 20 -22.179 -9.942 -10.589 1.00 22.52 C ATOM 354 CG1 ILE A 20 -21.573 -8.684 -11.214 1.00 62.30 C ATOM 355 CG2 ILE A 20 -22.375 -11.022 -11.642 1.00 71.25 C ATOM 356 CD1 ILE A 20 -22.406 -8.106 -12.336 1.00 62.04 C ATOM 0 H ILE A 20 -22.410 -8.212 -8.804 1.00 73.32 H new ATOM 0 HA ILE A 20 -24.199 -9.186 -10.647 1.00 23.04 H new ATOM 0 HB ILE A 20 -21.488 -10.319 -9.835 1.00 22.52 H new ATOM 0 HG12 ILE A 20 -21.447 -7.928 -10.439 1.00 62.30 H new ATOM 0 HG13 ILE A 20 -20.579 -8.920 -11.594 1.00 62.30 H new ATOM 0 HG21 ILE A 20 -21.419 -11.247 -12.115 1.00 71.25 H new ATOM 0 HG22 ILE A 20 -22.767 -11.923 -11.170 1.00 71.25 H new ATOM 0 HG23 ILE A 20 -23.080 -10.671 -12.396 1.00 71.25 H new ATOM 0 HD11 ILE A 20 -21.916 -7.216 -12.732 1.00 62.04 H new ATOM 0 HD12 ILE A 20 -22.511 -8.846 -13.130 1.00 62.04 H new ATOM 0 HD13 ILE A 20 -23.392 -7.839 -11.956 1.00 62.04 H new ATOM 368 N LYS A 21 -23.562 -11.364 -8.234 1.00 43.03 N ATOM 369 CA LYS A 21 -24.045 -12.580 -7.591 1.00 50.11 C ATOM 370 C LYS A 21 -25.394 -12.341 -6.920 1.00 61.20 C ATOM 371 O LYS A 21 -26.427 -12.809 -7.398 1.00 22.10 O ATOM 372 CB LYS A 21 -23.030 -13.073 -6.558 1.00 24.12 C ATOM 373 CG LYS A 21 -23.439 -14.365 -5.872 1.00 4.14 C ATOM 374 CD LYS A 21 -22.797 -14.495 -4.500 1.00 61.44 C ATOM 375 CE LYS A 21 -23.574 -15.453 -3.610 1.00 62.33 C ATOM 376 NZ LYS A 21 -22.708 -16.066 -2.565 1.00 45.52 N ATOM 0 H LYS A 21 -22.772 -10.923 -7.762 1.00 43.03 H new ATOM 0 HA LYS A 21 -24.171 -13.342 -8.360 1.00 50.11 H new ATOM 0 HB2 LYS A 21 -22.068 -13.221 -7.048 1.00 24.12 H new ATOM 0 HB3 LYS A 21 -22.888 -12.300 -5.803 1.00 24.12 H new ATOM 0 HG2 LYS A 21 -24.524 -14.397 -5.772 1.00 4.14 H new ATOM 0 HG3 LYS A 21 -23.151 -15.214 -6.492 1.00 4.14 H new ATOM 0 HD2 LYS A 21 -21.772 -14.848 -4.609 1.00 61.44 H new ATOM 0 HD3 LYS A 21 -22.748 -13.515 -4.026 1.00 61.44 H new ATOM 0 HE2 LYS A 21 -24.396 -14.919 -3.133 1.00 62.33 H new ATOM 0 HE3 LYS A 21 -24.016 -16.239 -4.222 1.00 62.33 H new ATOM 0 HZ1 LYS A 21 -23.275 -16.712 -1.980 1.00 45.52 H new ATOM 0 HZ2 LYS A 21 -21.938 -16.596 -3.020 1.00 45.52 H new ATOM 0 HZ3 LYS A 21 -22.306 -15.318 -1.965 1.00 45.52 H new ATOM 421 N ALA A 25 -26.459 -4.941 -2.539 1.00 22.35 N ATOM 422 CA ALA A 25 -25.261 -4.749 -1.731 1.00 43.21 C ATOM 423 C ALA A 25 -25.590 -4.045 -0.419 1.00 71.10 C ATOM 424 O ALA A 25 -25.070 -4.405 0.637 1.00 13.45 O ATOM 425 CB ALA A 25 -24.221 -3.957 -2.510 1.00 62.22 C ATOM 0 HA ALA A 25 -24.852 -5.731 -1.493 1.00 43.21 H new ATOM 0 HB1 ALA A 25 -23.332 -3.821 -1.895 1.00 62.22 H new ATOM 0 HB2 ALA A 25 -23.955 -4.499 -3.417 1.00 62.22 H new ATOM 0 HB3 ALA A 25 -24.630 -2.983 -2.777 1.00 62.22 H new ATOM 431 N VAL A 26 -26.456 -3.040 -0.493 1.00 54.43 N ATOM 432 CA VAL A 26 -26.855 -2.285 0.689 1.00 74.41 C ATOM 433 C VAL A 26 -27.320 -3.216 1.803 1.00 13.14 C ATOM 434 O VAL A 26 -27.005 -3.005 2.974 1.00 12.21 O ATOM 435 CB VAL A 26 -27.983 -1.288 0.364 1.00 12.11 C ATOM 436 CG1 VAL A 26 -27.456 -0.146 -0.492 1.00 33.04 C ATOM 437 CG2 VAL A 26 -29.137 -1.996 -0.329 1.00 71.34 C ATOM 0 H VAL A 26 -26.895 -2.729 -1.360 1.00 54.43 H new ATOM 0 HA VAL A 26 -25.977 -1.732 1.023 1.00 74.41 H new ATOM 0 HB VAL A 26 -28.354 -0.868 1.299 1.00 12.11 H new ATOM 0 HG11 VAL A 26 -28.267 0.548 -0.712 1.00 33.04 H new ATOM 0 HG12 VAL A 26 -26.666 0.378 0.046 1.00 33.04 H new ATOM 0 HG13 VAL A 26 -27.057 -0.545 -1.425 1.00 33.04 H new ATOM 0 HG21 VAL A 26 -29.925 -1.276 -0.551 1.00 71.34 H new ATOM 0 HG22 VAL A 26 -28.784 -2.445 -1.257 1.00 71.34 H new ATOM 0 HG23 VAL A 26 -29.531 -2.775 0.324 1.00 71.34 H new ATOM 447 N ALA A 27 -28.072 -4.247 1.431 1.00 25.10 N ATOM 448 CA ALA A 27 -28.578 -5.212 2.399 1.00 71.12 C ATOM 449 C ALA A 27 -27.444 -6.038 2.996 1.00 4.43 C ATOM 450 O ALA A 27 -27.275 -6.089 4.215 1.00 64.04 O ATOM 451 CB ALA A 27 -29.609 -6.122 1.747 1.00 42.10 C ATOM 0 H ALA A 27 -28.344 -4.435 0.466 1.00 25.10 H new ATOM 0 HA ALA A 27 -29.056 -4.660 3.209 1.00 71.12 H new ATOM 0 HB1 ALA A 27 -29.979 -6.838 2.481 1.00 42.10 H new ATOM 0 HB2 ALA A 27 -30.440 -5.523 1.375 1.00 42.10 H new ATOM 0 HB3 ALA A 27 -29.148 -6.658 0.918 1.00 42.10 H new ATOM 457 N VAL A 28 -26.668 -6.683 2.131 1.00 73.32 N ATOM 458 CA VAL A 28 -25.549 -7.507 2.573 1.00 12.42 C ATOM 459 C VAL A 28 -24.583 -6.703 3.436 1.00 13.24 C ATOM 460 O VAL A 28 -24.030 -7.215 4.410 1.00 52.32 O ATOM 461 CB VAL A 28 -24.781 -8.099 1.377 1.00 44.30 C ATOM 462 CG1 VAL A 28 -23.627 -8.964 1.859 1.00 24.32 C ATOM 463 CG2 VAL A 28 -25.719 -8.896 0.483 1.00 3.14 C ATOM 0 H VAL A 28 -26.794 -6.651 1.119 1.00 73.32 H new ATOM 0 HA VAL A 28 -25.969 -8.321 3.164 1.00 12.42 H new ATOM 0 HB VAL A 28 -24.368 -7.278 0.791 1.00 44.30 H new ATOM 0 HG11 VAL A 28 -23.096 -9.374 1.000 1.00 24.32 H new ATOM 0 HG12 VAL A 28 -22.943 -8.359 2.454 1.00 24.32 H new ATOM 0 HG13 VAL A 28 -24.014 -9.780 2.469 1.00 24.32 H new ATOM 0 HG21 VAL A 28 -25.159 -9.307 -0.357 1.00 3.14 H new ATOM 0 HG22 VAL A 28 -26.164 -9.710 1.056 1.00 3.14 H new ATOM 0 HG23 VAL A 28 -26.507 -8.243 0.109 1.00 3.14 H new ATOM 473 N VAL A 29 -24.385 -5.440 3.073 1.00 4.54 N ATOM 474 CA VAL A 29 -23.486 -4.563 3.815 1.00 33.14 C ATOM 475 C VAL A 29 -24.115 -4.119 5.132 1.00 63.24 C ATOM 476 O VAL A 29 -23.547 -4.324 6.203 1.00 24.43 O ATOM 477 CB VAL A 29 -23.111 -3.317 2.992 1.00 14.40 C ATOM 478 CG1 VAL A 29 -22.201 -2.400 3.795 1.00 65.32 C ATOM 479 CG2 VAL A 29 -22.453 -3.722 1.682 1.00 21.21 C ATOM 0 H VAL A 29 -24.835 -5.001 2.270 1.00 4.54 H new ATOM 0 HA VAL A 29 -22.583 -5.137 4.022 1.00 33.14 H new ATOM 0 HB VAL A 29 -24.024 -2.769 2.759 1.00 14.40 H new ATOM 0 HG11 VAL A 29 -21.947 -1.525 3.197 1.00 65.32 H new ATOM 0 HG12 VAL A 29 -22.714 -2.082 4.703 1.00 65.32 H new ATOM 0 HG13 VAL A 29 -21.289 -2.935 4.062 1.00 65.32 H new ATOM 0 HG21 VAL A 29 -22.195 -2.829 1.113 1.00 21.21 H new ATOM 0 HG22 VAL A 29 -21.549 -4.294 1.891 1.00 21.21 H new ATOM 0 HG23 VAL A 29 -23.144 -4.334 1.102 1.00 21.21 H new ATOM 489 N GLY A 30 -25.293 -3.509 5.043 1.00 61.13 N ATOM 490 CA GLY A 30 -25.980 -3.046 6.234 1.00 40.40 C ATOM 491 C GLY A 30 -26.210 -4.156 7.239 1.00 33.35 C ATOM 492 O GLY A 30 -25.893 -4.009 8.419 1.00 3.02 O ATOM 0 H GLY A 30 -25.784 -3.327 4.167 1.00 61.13 H new ATOM 0 HA2 GLY A 30 -25.396 -2.253 6.701 1.00 40.40 H new ATOM 0 HA3 GLY A 30 -26.939 -2.612 5.951 1.00 40.40 H new ATOM 496 N GLN A 31 -26.766 -5.270 6.772 1.00 3.31 N ATOM 497 CA GLN A 31 -27.040 -6.408 7.640 1.00 33.54 C ATOM 498 C GLN A 31 -25.768 -6.883 8.334 1.00 21.43 C ATOM 499 O GLN A 31 -25.676 -6.868 9.561 1.00 21.33 O ATOM 500 CB GLN A 31 -27.654 -7.555 6.835 1.00 52.33 C ATOM 501 CG GLN A 31 -29.024 -7.230 6.261 1.00 10.12 C ATOM 502 CD GLN A 31 -30.151 -7.884 7.036 1.00 71.02 C ATOM 503 OE1 GLN A 31 -30.559 -9.006 6.733 1.00 40.44 O ATOM 504 NE2 GLN A 31 -30.661 -7.185 8.043 1.00 73.00 N ATOM 0 H GLN A 31 -27.035 -5.408 5.798 1.00 3.31 H new ATOM 0 HA GLN A 31 -27.750 -6.087 8.402 1.00 33.54 H new ATOM 0 HB2 GLN A 31 -26.980 -7.817 6.019 1.00 52.33 H new ATOM 0 HB3 GLN A 31 -27.736 -8.434 7.475 1.00 52.33 H new ATOM 0 HG2 GLN A 31 -29.167 -6.149 6.261 1.00 10.12 H new ATOM 0 HG3 GLN A 31 -29.065 -7.557 5.222 1.00 10.12 H new ATOM 0 HE21 GLN A 31 -30.292 -6.259 8.259 1.00 73.00 H new ATOM 0 HE22 GLN A 31 -31.421 -7.574 8.600 1.00 73.00 H new ATOM 513 N ALA A 32 -24.789 -7.305 7.540 1.00 0.14 N ATOM 514 CA ALA A 32 -23.521 -7.783 8.078 1.00 13.33 C ATOM 515 C ALA A 32 -22.901 -6.754 9.018 1.00 40.14 C ATOM 516 O ALA A 32 -22.480 -7.085 10.125 1.00 31.45 O ATOM 517 CB ALA A 32 -22.560 -8.115 6.947 1.00 4.11 C ATOM 0 H ALA A 32 -24.850 -7.326 6.522 1.00 0.14 H new ATOM 0 HA ALA A 32 -23.716 -8.689 8.652 1.00 13.33 H new ATOM 0 HB1 ALA A 32 -21.617 -8.471 7.363 1.00 4.11 H new ATOM 0 HB2 ALA A 32 -22.994 -8.891 6.317 1.00 4.11 H new ATOM 0 HB3 ALA A 32 -22.379 -7.222 6.350 1.00 4.11 H new ATOM 523 N ALA A 33 -22.847 -5.505 8.567 1.00 12.21 N ATOM 524 CA ALA A 33 -22.279 -4.428 9.368 1.00 13.43 C ATOM 525 C ALA A 33 -23.009 -4.290 10.700 1.00 74.20 C ATOM 526 O ALA A 33 -22.384 -4.168 11.754 1.00 62.32 O ATOM 527 CB ALA A 33 -22.329 -3.116 8.599 1.00 5.43 C ATOM 0 H ALA A 33 -23.190 -5.214 7.651 1.00 12.21 H new ATOM 0 HA ALA A 33 -21.238 -4.675 9.578 1.00 13.43 H new ATOM 0 HB1 ALA A 33 -21.902 -2.320 9.209 1.00 5.43 H new ATOM 0 HB2 ALA A 33 -21.757 -3.213 7.676 1.00 5.43 H new ATOM 0 HB3 ALA A 33 -23.364 -2.874 8.360 1.00 5.43 H new ATOM 533 N THR A 34 -24.338 -4.310 10.646 1.00 24.03 N ATOM 534 CA THR A 34 -25.153 -4.186 11.848 1.00 50.22 C ATOM 535 C THR A 34 -24.973 -5.393 12.762 1.00 52.44 C ATOM 536 O THR A 34 -24.915 -5.256 13.984 1.00 52.43 O ATOM 537 CB THR A 34 -26.646 -4.037 11.500 1.00 33.25 C ATOM 538 OG1 THR A 34 -26.846 -2.879 10.683 1.00 52.13 O ATOM 539 CG2 THR A 34 -27.487 -3.924 12.763 1.00 0.33 C ATOM 0 H THR A 34 -24.872 -4.411 9.783 1.00 24.03 H new ATOM 0 HA THR A 34 -24.817 -3.288 12.367 1.00 50.22 H new ATOM 0 HB THR A 34 -26.959 -4.926 10.952 1.00 33.25 H new ATOM 0 HG1 THR A 34 -26.704 -3.114 9.742 1.00 52.13 H new ATOM 0 HG21 THR A 34 -28.538 -3.820 12.492 1.00 0.33 H new ATOM 0 HG22 THR A 34 -27.356 -4.820 13.369 1.00 0.33 H new ATOM 0 HG23 THR A 34 -27.171 -3.051 13.334 1.00 0.33 H new ATOM 547 N VAL A 35 -24.885 -6.575 12.162 1.00 63.54 N ATOM 548 CA VAL A 35 -24.709 -7.807 12.922 1.00 74.22 C ATOM 549 C VAL A 35 -23.332 -7.860 13.573 1.00 1.40 C ATOM 550 O VAL A 35 -23.191 -8.283 14.721 1.00 54.34 O ATOM 551 CB VAL A 35 -24.890 -9.049 12.028 1.00 14.35 C ATOM 552 CG1 VAL A 35 -24.673 -10.322 12.832 1.00 2.54 C ATOM 553 CG2 VAL A 35 -26.268 -9.044 11.384 1.00 73.50 C ATOM 0 H VAL A 35 -24.933 -6.706 11.152 1.00 63.54 H new ATOM 0 HA VAL A 35 -25.475 -7.812 13.698 1.00 74.22 H new ATOM 0 HB VAL A 35 -24.143 -9.017 11.235 1.00 14.35 H new ATOM 0 HG11 VAL A 35 -24.805 -11.189 12.184 1.00 2.54 H new ATOM 0 HG12 VAL A 35 -23.663 -10.326 13.242 1.00 2.54 H new ATOM 0 HG13 VAL A 35 -25.395 -10.365 13.647 1.00 2.54 H new ATOM 0 HG21 VAL A 35 -26.379 -9.928 10.756 1.00 73.50 H new ATOM 0 HG22 VAL A 35 -27.033 -9.052 12.161 1.00 73.50 H new ATOM 0 HG23 VAL A 35 -26.381 -8.148 10.773 1.00 73.50 H new ATOM 563 N VAL A 36 -22.316 -7.426 12.833 1.00 74.33 N ATOM 564 CA VAL A 36 -20.949 -7.422 13.338 1.00 21.03 C ATOM 565 C VAL A 36 -20.746 -6.312 14.364 1.00 65.34 C ATOM 566 O VAL A 36 -20.141 -6.526 15.415 1.00 45.45 O ATOM 567 CB VAL A 36 -19.929 -7.245 12.197 1.00 33.15 C ATOM 568 CG1 VAL A 36 -18.512 -7.214 12.748 1.00 3.21 C ATOM 569 CG2 VAL A 36 -20.086 -8.353 11.167 1.00 25.42 C ATOM 0 H VAL A 36 -22.415 -7.073 11.881 1.00 74.33 H new ATOM 0 HA VAL A 36 -20.785 -8.388 13.815 1.00 21.03 H new ATOM 0 HB VAL A 36 -20.122 -6.292 11.704 1.00 33.15 H new ATOM 0 HG11 VAL A 36 -17.805 -7.088 11.928 1.00 3.21 H new ATOM 0 HG12 VAL A 36 -18.411 -6.382 13.445 1.00 3.21 H new ATOM 0 HG13 VAL A 36 -18.303 -8.149 13.267 1.00 3.21 H new ATOM 0 HG21 VAL A 36 -19.358 -8.213 10.368 1.00 25.42 H new ATOM 0 HG22 VAL A 36 -19.920 -9.319 11.644 1.00 25.42 H new ATOM 0 HG23 VAL A 36 -21.093 -8.322 10.750 1.00 25.42 H new ATOM 579 N LYS A 37 -21.255 -5.126 14.052 1.00 53.42 N ATOM 580 CA LYS A 37 -21.132 -3.980 14.946 1.00 72.50 C ATOM 581 C LYS A 37 -21.700 -4.303 16.324 1.00 15.13 C ATOM 582 O LYS A 37 -20.955 -4.473 17.289 1.00 11.25 O ATOM 583 CB LYS A 37 -21.854 -2.767 14.356 1.00 11.22 C ATOM 584 CG LYS A 37 -21.663 -1.494 15.163 1.00 32.20 C ATOM 585 CD LYS A 37 -22.828 -0.536 14.977 1.00 22.11 C ATOM 586 CE LYS A 37 -23.091 0.272 16.238 1.00 12.33 C ATOM 587 NZ LYS A 37 -24.047 1.388 15.993 1.00 61.33 N ATOM 0 H LYS A 37 -21.757 -4.932 13.186 1.00 53.42 H new ATOM 0 HA LYS A 37 -20.073 -3.747 15.054 1.00 72.50 H new ATOM 0 HB2 LYS A 37 -21.496 -2.600 13.340 1.00 11.22 H new ATOM 0 HB3 LYS A 37 -22.919 -2.987 14.287 1.00 11.22 H new ATOM 0 HG2 LYS A 37 -21.561 -1.743 16.219 1.00 32.20 H new ATOM 0 HG3 LYS A 37 -20.737 -1.005 14.860 1.00 32.20 H new ATOM 0 HD2 LYS A 37 -22.616 0.140 14.148 1.00 22.11 H new ATOM 0 HD3 LYS A 37 -23.723 -1.097 14.710 1.00 22.11 H new ATOM 0 HE2 LYS A 37 -23.489 -0.383 17.013 1.00 12.33 H new ATOM 0 HE3 LYS A 37 -22.151 0.675 16.614 1.00 12.33 H new ATOM 0 HZ1 LYS A 37 -24.200 1.915 16.877 1.00 61.33 H new ATOM 0 HZ2 LYS A 37 -23.656 2.028 15.272 1.00 61.33 H new ATOM 0 HZ3 LYS A 37 -24.953 1.002 15.659 1.00 61.33 H new