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 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 2.263 -3.751 -2.363 1.00 73.33 N ATOM 50 CA LYS A 3 1.673 -4.658 -1.386 1.00 33.40 C ATOM 51 C LYS A 3 0.377 -4.083 -0.822 1.00 64.13 C ATOM 52 O LYS A 3 -0.703 -4.634 -1.037 1.00 25.51 O ATOM 53 CB LYS A 3 2.661 -4.929 -0.249 1.00 14.52 C ATOM 54 CG LYS A 3 3.184 -6.354 -0.223 1.00 73.34 C ATOM 55 CD LYS A 3 4.210 -6.552 0.879 1.00 20.15 C ATOM 56 CE LYS A 3 3.615 -7.289 2.069 1.00 33.42 C ATOM 57 NZ LYS A 3 3.968 -8.736 2.058 1.00 34.13 N ATOM 0 HA LYS A 3 1.444 -5.596 -1.891 1.00 33.40 H new ATOM 0 HB2 LYS A 3 3.504 -4.244 -0.340 1.00 14.52 H new ATOM 0 HB3 LYS A 3 2.175 -4.712 0.702 1.00 14.52 H new ATOM 0 HG2 LYS A 3 2.354 -7.045 -0.076 1.00 73.34 H new ATOM 0 HG3 LYS A 3 3.633 -6.595 -1.187 1.00 73.34 H new ATOM 0 HD2 LYS A 3 5.060 -7.113 0.490 1.00 20.15 H new ATOM 0 HD3 LYS A 3 4.589 -5.583 1.203 1.00 20.15 H new ATOM 0 HE2 LYS A 3 3.973 -6.835 2.993 1.00 33.42 H new ATOM 0 HE3 LYS A 3 2.531 -7.180 2.059 1.00 33.42 H new ATOM 0 HZ1 LYS A 3 3.544 -9.203 2.885 1.00 34.13 H new ATOM 0 HZ2 LYS A 3 3.605 -9.175 1.188 1.00 34.13 H new ATOM 0 HZ3 LYS A 3 5.002 -8.841 2.094 1.00 34.13 H new ATOM 71 N ILE A 4 0.493 -2.972 -0.103 1.00 33.25 N ATOM 72 CA ILE A 4 -0.670 -2.322 0.489 1.00 1.31 C ATOM 73 C ILE A 4 -1.756 -2.082 -0.554 1.00 42.13 C ATOM 74 O ILE A 4 -2.906 -2.482 -0.372 1.00 41.03 O ATOM 75 CB ILE A 4 -0.293 -0.978 1.139 1.00 2.44 C ATOM 76 CG1 ILE A 4 0.772 -1.189 2.217 1.00 4.23 C ATOM 77 CG2 ILE A 4 -1.526 -0.310 1.729 1.00 31.14 C ATOM 78 CD1 ILE A 4 1.418 0.096 2.689 1.00 34.51 C ATOM 0 H ILE A 4 1.379 -2.503 0.084 1.00 33.25 H new ATOM 0 HA ILE A 4 -1.050 -2.995 1.258 1.00 1.31 H new ATOM 0 HB ILE A 4 0.119 -0.323 0.371 1.00 2.44 H new ATOM 0 HG12 ILE A 4 0.318 -1.693 3.071 1.00 4.23 H new ATOM 0 HG13 ILE A 4 1.544 -1.853 1.828 1.00 4.23 H new ATOM 0 HG21 ILE A 4 -1.243 0.639 2.185 1.00 31.14 H new ATOM 0 HG22 ILE A 4 -2.255 -0.130 0.939 1.00 31.14 H new ATOM 0 HG23 ILE A 4 -1.964 -0.960 2.486 1.00 31.14 H new ATOM 0 HD11 ILE A 4 2.162 -0.130 3.453 1.00 34.51 H new ATOM 0 HD12 ILE A 4 1.901 0.591 1.847 1.00 34.51 H new ATOM 0 HD13 ILE A 4 0.656 0.754 3.108 1.00 34.51 H new ATOM 90 N PHE A 5 -1.383 -1.428 -1.649 1.00 44.41 N ATOM 91 CA PHE A 5 -2.324 -1.135 -2.723 1.00 55.12 C ATOM 92 C PHE A 5 -3.053 -2.400 -3.167 1.00 53.22 C ATOM 93 O PHE A 5 -4.278 -2.490 -3.074 1.00 23.43 O ATOM 94 CB PHE A 5 -1.595 -0.509 -3.913 1.00 42.25 C ATOM 95 CG PHE A 5 -2.492 0.295 -4.811 1.00 4.31 C ATOM 96 CD1 PHE A 5 -3.311 1.283 -4.289 1.00 2.22 C ATOM 97 CD2 PHE A 5 -2.516 0.063 -6.177 1.00 22.44 C ATOM 98 CE1 PHE A 5 -4.137 2.025 -5.112 1.00 10.12 C ATOM 99 CE2 PHE A 5 -3.339 0.802 -7.005 1.00 35.44 C ATOM 100 CZ PHE A 5 -4.152 1.783 -6.471 1.00 40.24 C ATOM 0 H PHE A 5 -0.435 -1.091 -1.816 1.00 44.41 H new ATOM 0 HA PHE A 5 -3.060 -0.426 -2.344 1.00 55.12 H new ATOM 0 HB2 PHE A 5 -0.796 0.133 -3.542 1.00 42.25 H new ATOM 0 HB3 PHE A 5 -1.124 -1.300 -4.497 1.00 42.25 H new ATOM 0 HD1 PHE A 5 -3.304 1.476 -3.226 1.00 2.22 H new ATOM 0 HD2 PHE A 5 -1.884 -0.704 -6.599 1.00 22.44 H new ATOM 0 HE1 PHE A 5 -4.770 2.793 -4.692 1.00 10.12 H new ATOM 0 HE2 PHE A 5 -3.347 0.613 -8.068 1.00 35.44 H new ATOM 0 HZ PHE A 5 -4.798 2.360 -7.116 1.00 40.24 H new ATOM 110 N LYS A 6 -2.292 -3.375 -3.652 1.00 1.14 N ATOM 111 CA LYS A 6 -2.862 -4.636 -4.110 1.00 55.12 C ATOM 112 C LYS A 6 -3.738 -5.262 -3.030 1.00 14.34 C ATOM 113 O LYS A 6 -4.819 -5.779 -3.314 1.00 11.53 O ATOM 114 CB LYS A 6 -1.750 -5.609 -4.506 1.00 44.24 C ATOM 115 CG LYS A 6 -1.046 -5.234 -5.799 1.00 63.01 C ATOM 116 CD LYS A 6 -1.198 -6.319 -6.852 1.00 23.33 C ATOM 117 CE LYS A 6 -1.097 -5.749 -8.258 1.00 63.44 C ATOM 118 NZ LYS A 6 0.048 -6.332 -9.012 1.00 74.42 N ATOM 0 H LYS A 6 -1.277 -3.316 -3.738 1.00 1.14 H new ATOM 0 HA LYS A 6 -3.483 -4.429 -4.982 1.00 55.12 H new ATOM 0 HB2 LYS A 6 -1.015 -5.655 -3.702 1.00 44.24 H new ATOM 0 HB3 LYS A 6 -2.173 -6.608 -4.609 1.00 44.24 H new ATOM 0 HG2 LYS A 6 -1.455 -4.298 -6.179 1.00 63.01 H new ATOM 0 HG3 LYS A 6 0.012 -5.063 -5.602 1.00 63.01 H new ATOM 0 HD2 LYS A 6 -0.427 -7.077 -6.709 1.00 23.33 H new ATOM 0 HD3 LYS A 6 -2.160 -6.816 -6.728 1.00 23.33 H new ATOM 0 HE2 LYS A 6 -2.024 -5.945 -8.797 1.00 63.44 H new ATOM 0 HE3 LYS A 6 -0.983 -4.666 -8.204 1.00 63.44 H new ATOM 0 HZ1 LYS A 6 0.083 -5.918 -9.965 1.00 74.42 H new ATOM 0 HZ2 LYS A 6 0.935 -6.123 -8.511 1.00 74.42 H new ATOM 0 HZ3 LYS A 6 -0.074 -7.362 -9.086 1.00 74.42 H new ATOM 132 N LYS A 7 -3.266 -5.211 -1.789 1.00 13.44 N ATOM 133 CA LYS A 7 -4.007 -5.770 -0.664 1.00 40.40 C ATOM 134 C LYS A 7 -5.348 -5.064 -0.491 1.00 52.03 C ATOM 135 O LYS A 7 -6.406 -5.665 -0.684 1.00 45.02 O ATOM 136 CB LYS A 7 -3.187 -5.651 0.623 1.00 60.33 C ATOM 137 CG LYS A 7 -3.946 -6.075 1.868 1.00 4.05 C ATOM 138 CD LYS A 7 -3.036 -6.777 2.863 1.00 14.23 C ATOM 139 CE LYS A 7 -3.616 -8.113 3.302 1.00 14.43 C ATOM 140 NZ LYS A 7 -3.165 -8.491 4.670 1.00 44.01 N ATOM 0 H LYS A 7 -2.373 -4.788 -1.537 1.00 13.44 H new ATOM 0 HA LYS A 7 -4.195 -6.823 -0.873 1.00 40.40 H new ATOM 0 HB2 LYS A 7 -2.289 -6.261 0.530 1.00 60.33 H new ATOM 0 HB3 LYS A 7 -2.860 -4.618 0.741 1.00 60.33 H new ATOM 0 HG2 LYS A 7 -4.394 -5.200 2.338 1.00 4.05 H new ATOM 0 HG3 LYS A 7 -4.763 -6.740 1.588 1.00 4.05 H new ATOM 0 HD2 LYS A 7 -2.056 -6.935 2.413 1.00 14.23 H new ATOM 0 HD3 LYS A 7 -2.888 -6.140 3.735 1.00 14.23 H new ATOM 0 HE2 LYS A 7 -4.705 -8.061 3.280 1.00 14.43 H new ATOM 0 HE3 LYS A 7 -3.319 -8.888 2.595 1.00 14.43 H new ATOM 0 HZ1 LYS A 7 -3.582 -9.407 4.932 1.00 44.01 H new ATOM 0 HZ2 LYS A 7 -2.128 -8.565 4.685 1.00 44.01 H new ATOM 0 HZ3 LYS A 7 -3.470 -7.765 5.349 1.00 44.01 H new ATOM 154 N ILE A 8 -5.297 -3.787 -0.128 1.00 52.24 N ATOM 155 CA ILE A 8 -6.508 -3.000 0.067 1.00 14.22 C ATOM 156 C ILE A 8 -7.432 -3.102 -1.142 1.00 43.11 C ATOM 157 O ILE A 8 -8.649 -3.207 -0.998 1.00 71.51 O ATOM 158 CB ILE A 8 -6.181 -1.517 0.325 1.00 21.22 C ATOM 159 CG1 ILE A 8 -5.279 -1.378 1.553 1.00 2.22 C ATOM 160 CG2 ILE A 8 -7.461 -0.716 0.508 1.00 32.01 C ATOM 161 CD1 ILE A 8 -4.738 0.021 1.750 1.00 15.24 C ATOM 0 H ILE A 8 -4.430 -3.275 0.037 1.00 52.24 H new ATOM 0 HA ILE A 8 -7.012 -3.410 0.942 1.00 14.22 H new ATOM 0 HB ILE A 8 -5.649 -1.121 -0.540 1.00 21.22 H new ATOM 0 HG12 ILE A 8 -5.840 -1.670 2.441 1.00 2.22 H new ATOM 0 HG13 ILE A 8 -4.444 -2.072 1.461 1.00 2.22 H new ATOM 0 HG21 ILE A 8 -7.213 0.330 0.689 1.00 32.01 H new ATOM 0 HG22 ILE A 8 -8.071 -0.793 -0.392 1.00 32.01 H new ATOM 0 HG23 ILE A 8 -8.018 -1.110 1.358 1.00 32.01 H new ATOM 0 HD11 ILE A 8 -4.107 0.045 2.639 1.00 15.24 H new ATOM 0 HD12 ILE A 8 -4.149 0.309 0.879 1.00 15.24 H new ATOM 0 HD13 ILE A 8 -5.567 0.718 1.874 1.00 15.24 H new ATOM 173 N GLU A 9 -6.843 -3.071 -2.334 1.00 21.34 N ATOM 174 CA GLU A 9 -7.613 -3.161 -3.568 1.00 75.53 C ATOM 175 C GLU A 9 -8.304 -4.517 -3.680 1.00 75.45 C ATOM 176 O GLU A 9 -9.503 -4.596 -3.953 1.00 23.24 O ATOM 177 CB GLU A 9 -6.706 -2.938 -4.780 1.00 1.54 C ATOM 178 CG GLU A 9 -7.438 -3.006 -6.109 1.00 64.24 C ATOM 179 CD GLU A 9 -7.356 -4.378 -6.750 1.00 32.31 C ATOM 180 OE1 GLU A 9 -8.240 -5.216 -6.474 1.00 52.23 O ATOM 181 OE2 GLU A 9 -6.408 -4.614 -7.528 1.00 4.15 O ATOM 0 H GLU A 9 -5.836 -2.984 -2.470 1.00 21.34 H new ATOM 0 HA GLU A 9 -8.376 -2.383 -3.547 1.00 75.53 H new ATOM 0 HB2 GLU A 9 -6.225 -1.964 -4.689 1.00 1.54 H new ATOM 0 HB3 GLU A 9 -5.914 -3.686 -4.773 1.00 1.54 H new ATOM 0 HG2 GLU A 9 -8.485 -2.742 -5.957 1.00 64.24 H new ATOM 0 HG3 GLU A 9 -7.018 -2.265 -6.789 1.00 64.24 H new ATOM 188 N LYS A 10 -7.540 -5.584 -3.469 1.00 51.43 N ATOM 189 CA LYS A 10 -8.076 -6.937 -3.545 1.00 74.35 C ATOM 190 C LYS A 10 -9.130 -7.167 -2.467 1.00 11.44 C ATOM 191 O LYS A 10 -10.282 -7.481 -2.767 1.00 21.25 O ATOM 192 CB LYS A 10 -6.950 -7.963 -3.400 1.00 32.14 C ATOM 193 CG LYS A 10 -7.444 -9.392 -3.253 1.00 11.14 C ATOM 194 CD LYS A 10 -6.358 -10.396 -3.602 1.00 13.13 C ATOM 195 CE LYS A 10 -6.897 -11.818 -3.612 1.00 71.34 C ATOM 196 NZ LYS A 10 -7.084 -12.351 -2.234 1.00 53.24 N ATOM 0 H LYS A 10 -6.546 -5.537 -3.244 1.00 51.43 H new ATOM 0 HA LYS A 10 -8.547 -7.059 -4.520 1.00 74.35 H new ATOM 0 HB2 LYS A 10 -6.299 -7.901 -4.272 1.00 32.14 H new ATOM 0 HB3 LYS A 10 -6.345 -7.705 -2.531 1.00 32.14 H new ATOM 0 HG2 LYS A 10 -7.779 -9.559 -2.229 1.00 11.14 H new ATOM 0 HG3 LYS A 10 -8.307 -9.548 -3.900 1.00 11.14 H new ATOM 0 HD2 LYS A 10 -5.941 -10.157 -4.580 1.00 13.13 H new ATOM 0 HD3 LYS A 10 -5.544 -10.319 -2.881 1.00 13.13 H new ATOM 0 HE2 LYS A 10 -7.849 -11.842 -4.143 1.00 71.34 H new ATOM 0 HE3 LYS A 10 -6.210 -12.463 -4.160 1.00 71.34 H new ATOM 0 HZ1 LYS A 10 -7.453 -13.322 -2.284 1.00 53.24 H new ATOM 0 HZ2 LYS A 10 -6.171 -12.353 -1.736 1.00 53.24 H new ATOM 0 HZ3 LYS A 10 -7.759 -11.751 -1.718 1.00 53.24 H new ATOM 210 N VAL A 11 -8.728 -7.006 -1.210 1.00 14.33 N ATOM 211 CA VAL A 11 -9.639 -7.193 -0.086 1.00 43.43 C ATOM 212 C VAL A 11 -10.874 -6.310 -0.227 1.00 71.54 C ATOM 213 O VAL A 11 -11.957 -6.662 0.238 1.00 13.13 O ATOM 214 CB VAL A 11 -8.948 -6.879 1.254 1.00 1.01 C ATOM 215 CG1 VAL A 11 -8.622 -5.397 1.353 1.00 11.51 C ATOM 216 CG2 VAL A 11 -9.821 -7.320 2.419 1.00 20.41 C ATOM 0 H VAL A 11 -7.778 -6.747 -0.944 1.00 14.33 H new ATOM 0 HA VAL A 11 -9.941 -8.240 -0.094 1.00 43.43 H new ATOM 0 HB VAL A 11 -8.012 -7.436 1.299 1.00 1.01 H new ATOM 0 HG11 VAL A 11 -8.134 -5.195 2.307 1.00 11.51 H new ATOM 0 HG12 VAL A 11 -7.956 -5.116 0.538 1.00 11.51 H new ATOM 0 HG13 VAL A 11 -9.542 -4.817 1.286 1.00 11.51 H new ATOM 0 HG21 VAL A 11 -9.318 -7.091 3.358 1.00 20.41 H new ATOM 0 HG22 VAL A 11 -10.774 -6.792 2.380 1.00 20.41 H new ATOM 0 HG23 VAL A 11 -9.998 -8.394 2.355 1.00 20.41 H new ATOM 226 N GLY A 12 -10.704 -5.161 -0.874 1.00 64.45 N ATOM 227 CA GLY A 12 -11.813 -4.246 -1.066 1.00 74.21 C ATOM 228 C GLY A 12 -12.794 -4.735 -2.114 1.00 45.21 C ATOM 229 O GLY A 12 -14.006 -4.708 -1.900 1.00 64.32 O ATOM 0 H GLY A 12 -9.817 -4.848 -1.269 1.00 64.45 H new ATOM 0 HA2 GLY A 12 -12.336 -4.110 -0.119 1.00 74.21 H new ATOM 0 HA3 GLY A 12 -11.428 -3.270 -1.361 1.00 74.21 H new ATOM 233 N ARG A 13 -12.269 -5.181 -3.251 1.00 4.43 N ATOM 234 CA ARG A 13 -13.106 -5.674 -4.337 1.00 72.51 C ATOM 235 C ARG A 13 -13.703 -7.035 -3.988 1.00 42.13 C ATOM 236 O ARG A 13 -14.816 -7.359 -4.400 1.00 22.42 O ATOM 237 CB ARG A 13 -12.294 -5.778 -5.629 1.00 41.02 C ATOM 238 CG ARG A 13 -13.118 -6.198 -6.835 1.00 34.10 C ATOM 239 CD ARG A 13 -13.219 -5.078 -7.858 1.00 54.15 C ATOM 240 NE ARG A 13 -14.549 -5.002 -8.457 1.00 53.31 N ATOM 241 CZ ARG A 13 -14.801 -4.399 -9.614 1.00 31.12 C ATOM 242 NH1 ARG A 13 -13.818 -3.824 -10.293 1.00 55.30 N ATOM 243 NH2 ARG A 13 -16.038 -4.372 -10.094 1.00 1.34 N ATOM 0 H ARG A 13 -11.268 -5.211 -3.443 1.00 4.43 H new ATOM 0 HA ARG A 13 -13.921 -4.965 -4.484 1.00 72.51 H new ATOM 0 HB2 ARG A 13 -11.830 -4.813 -5.835 1.00 41.02 H new ATOM 0 HB3 ARG A 13 -11.487 -6.496 -5.484 1.00 41.02 H new ATOM 0 HG2 ARG A 13 -12.666 -7.075 -7.298 1.00 34.10 H new ATOM 0 HG3 ARG A 13 -14.118 -6.488 -6.511 1.00 34.10 H new ATOM 0 HD2 ARG A 13 -12.982 -4.128 -7.380 1.00 54.15 H new ATOM 0 HD3 ARG A 13 -12.477 -5.234 -8.641 1.00 54.15 H new ATOM 0 HE ARG A 13 -15.327 -5.436 -7.960 1.00 53.31 H new ATOM 0 HH11 ARG A 13 -12.866 -3.844 -9.927 1.00 55.30 H new ATOM 0 HH12 ARG A 13 -14.014 -3.362 -11.181 1.00 55.30 H new ATOM 0 HH21 ARG A 13 -16.796 -4.814 -9.575 1.00 1.34 H new ATOM 0 HH22 ARG A 13 -16.230 -3.909 -10.982 1.00 1.34 H new ATOM 257 N ASN A 14 -12.954 -7.826 -3.228 1.00 24.45 N ATOM 258 CA ASN A 14 -13.408 -9.152 -2.824 1.00 61.33 C ATOM 259 C ASN A 14 -14.774 -9.077 -2.149 1.00 23.23 C ATOM 260 O ASN A 14 -15.758 -9.617 -2.653 1.00 55.02 O ATOM 261 CB ASN A 14 -12.393 -9.796 -1.878 1.00 2.14 C ATOM 262 CG ASN A 14 -12.821 -11.178 -1.423 1.00 52.14 C ATOM 263 OD1 ASN A 14 -13.018 -11.419 -0.232 1.00 44.12 O ATOM 264 ND2 ASN A 14 -12.968 -12.094 -2.374 1.00 1.23 N ATOM 0 H ASN A 14 -12.030 -7.572 -2.879 1.00 24.45 H new ATOM 0 HA ASN A 14 -13.499 -9.766 -3.720 1.00 61.33 H new ATOM 0 HB2 ASN A 14 -11.427 -9.864 -2.378 1.00 2.14 H new ATOM 0 HB3 ASN A 14 -12.256 -9.156 -1.006 1.00 2.14 H new ATOM 0 HD21 ASN A 14 -13.255 -13.042 -2.129 1.00 1.23 H new ATOM 0 HD22 ASN A 14 -12.794 -11.850 -3.349 1.00 1.23 H new ATOM 271 N VAL A 15 -14.825 -8.403 -1.004 1.00 34.40 N ATOM 272 CA VAL A 15 -16.070 -8.256 -0.259 1.00 53.45 C ATOM 273 C VAL A 15 -17.188 -7.734 -1.155 1.00 41.34 C ATOM 274 O VAL A 15 -18.255 -8.340 -1.251 1.00 30.01 O ATOM 275 CB VAL A 15 -15.899 -7.301 0.937 1.00 24.22 C ATOM 276 CG1 VAL A 15 -17.168 -7.260 1.774 1.00 31.11 C ATOM 277 CG2 VAL A 15 -14.705 -7.718 1.784 1.00 75.22 C ATOM 0 H VAL A 15 -14.019 -7.950 -0.573 1.00 34.40 H new ATOM 0 HA VAL A 15 -16.336 -9.246 0.111 1.00 53.45 H new ATOM 0 HB VAL A 15 -15.713 -6.297 0.555 1.00 24.22 H new ATOM 0 HG11 VAL A 15 -17.028 -6.580 2.614 1.00 31.11 H new ATOM 0 HG12 VAL A 15 -17.998 -6.911 1.160 1.00 31.11 H new ATOM 0 HG13 VAL A 15 -17.389 -8.259 2.149 1.00 31.11 H new ATOM 0 HG21 VAL A 15 -14.598 -7.033 2.625 1.00 75.22 H new ATOM 0 HG22 VAL A 15 -14.860 -8.730 2.158 1.00 75.22 H new ATOM 0 HG23 VAL A 15 -13.800 -7.690 1.176 1.00 75.22 H new ATOM 287 N ARG A 16 -16.935 -6.606 -1.811 1.00 12.51 N ATOM 288 CA ARG A 16 -17.920 -6.001 -2.699 1.00 75.03 C ATOM 289 C ARG A 16 -18.439 -7.020 -3.710 1.00 21.01 C ATOM 290 O ARG A 16 -19.627 -7.343 -3.727 1.00 41.45 O ATOM 291 CB ARG A 16 -17.311 -4.804 -3.432 1.00 74.33 C ATOM 292 CG ARG A 16 -18.069 -3.505 -3.212 1.00 73.34 C ATOM 293 CD ARG A 16 -17.831 -2.522 -4.348 1.00 74.41 C ATOM 294 NE ARG A 16 -16.561 -1.817 -4.204 1.00 41.30 N ATOM 295 CZ ARG A 16 -16.230 -0.747 -4.918 1.00 45.30 C ATOM 296 NH1 ARG A 16 -17.071 -0.262 -5.821 1.00 4.52 N ATOM 297 NH2 ARG A 16 -15.055 -0.159 -4.729 1.00 63.42 N ATOM 0 H ARG A 16 -16.056 -6.093 -1.744 1.00 12.51 H new ATOM 0 HA ARG A 16 -18.758 -5.658 -2.091 1.00 75.03 H new ATOM 0 HB2 ARG A 16 -16.280 -4.673 -3.103 1.00 74.33 H new ATOM 0 HB3 ARG A 16 -17.280 -5.020 -4.500 1.00 74.33 H new ATOM 0 HG2 ARG A 16 -19.135 -3.714 -3.128 1.00 73.34 H new ATOM 0 HG3 ARG A 16 -17.757 -3.056 -2.269 1.00 73.34 H new ATOM 0 HD2 ARG A 16 -17.843 -3.056 -5.298 1.00 74.41 H new ATOM 0 HD3 ARG A 16 -18.646 -1.799 -4.378 1.00 74.41 H new ATOM 0 HE ARG A 16 -15.891 -2.165 -3.518 1.00 41.30 H new ATOM 0 HH11 ARG A 16 -17.975 -0.711 -5.969 1.00 4.52 H new ATOM 0 HH12 ARG A 16 -16.814 0.560 -6.368 1.00 4.52 H new ATOM 0 HH21 ARG A 16 -14.405 -0.529 -4.035 1.00 63.42 H new ATOM 0 HH22 ARG A 16 -14.802 0.663 -5.278 1.00 63.42 H new ATOM 311 N ASP A 17 -17.540 -7.522 -4.550 1.00 35.34 N ATOM 312 CA ASP A 17 -17.907 -8.505 -5.563 1.00 25.00 C ATOM 313 C ASP A 17 -18.660 -9.675 -4.938 1.00 55.23 C ATOM 314 O ASP A 17 -19.636 -10.169 -5.501 1.00 70.43 O ATOM 315 CB ASP A 17 -16.658 -9.014 -6.285 1.00 21.12 C ATOM 316 CG ASP A 17 -16.974 -10.104 -7.290 1.00 32.11 C ATOM 317 OD1 ASP A 17 -17.004 -11.287 -6.892 1.00 31.14 O ATOM 318 OD2 ASP A 17 -17.191 -9.774 -8.475 1.00 21.30 O ATOM 0 H ASP A 17 -16.553 -7.265 -4.549 1.00 35.34 H new ATOM 0 HA ASP A 17 -18.563 -8.019 -6.285 1.00 25.00 H new ATOM 0 HB2 ASP A 17 -16.173 -8.182 -6.796 1.00 21.12 H new ATOM 0 HB3 ASP A 17 -15.948 -9.395 -5.551 1.00 21.12 H new ATOM 323 N GLY A 18 -18.200 -10.113 -3.770 1.00 71.34 N ATOM 324 CA GLY A 18 -18.842 -11.222 -3.089 1.00 61.32 C ATOM 325 C GLY A 18 -20.263 -10.901 -2.670 1.00 61.45 C ATOM 326 O GLY A 18 -21.168 -11.719 -2.844 1.00 5.34 O ATOM 0 H GLY A 18 -17.394 -9.720 -3.283 1.00 71.34 H new ATOM 0 HA2 GLY A 18 -18.848 -12.093 -3.745 1.00 61.32 H new ATOM 0 HA3 GLY A 18 -18.259 -11.490 -2.208 1.00 61.32 H new ATOM 330 N ILE A 19 -20.460 -9.710 -2.117 1.00 10.32 N ATOM 331 CA ILE A 19 -21.781 -9.284 -1.672 1.00 10.23 C ATOM 332 C ILE A 19 -22.694 -8.993 -2.858 1.00 44.23 C ATOM 333 O ILE A 19 -23.898 -9.245 -2.804 1.00 43.45 O ATOM 334 CB ILE A 19 -21.698 -8.029 -0.783 1.00 31.04 C ATOM 335 CG1 ILE A 19 -20.827 -8.304 0.445 1.00 41.22 C ATOM 336 CG2 ILE A 19 -23.091 -7.585 -0.362 1.00 30.25 C ATOM 337 CD1 ILE A 19 -20.288 -7.049 1.096 1.00 22.52 C ATOM 0 H ILE A 19 -19.722 -9.022 -1.966 1.00 10.32 H new ATOM 0 HA ILE A 19 -22.197 -10.106 -1.089 1.00 10.23 H new ATOM 0 HB ILE A 19 -21.240 -7.224 -1.358 1.00 31.04 H new ATOM 0 HG12 ILE A 19 -21.411 -8.862 1.177 1.00 41.22 H new ATOM 0 HG13 ILE A 19 -19.991 -8.940 0.153 1.00 41.22 H new ATOM 0 HG21 ILE A 19 -23.016 -6.697 0.266 1.00 30.25 H new ATOM 0 HG22 ILE A 19 -23.682 -7.354 -1.248 1.00 30.25 H new ATOM 0 HG23 ILE A 19 -23.574 -8.385 0.198 1.00 30.25 H new ATOM 0 HD11 ILE A 19 -19.680 -7.319 1.959 1.00 22.52 H new ATOM 0 HD12 ILE A 19 -19.677 -6.501 0.379 1.00 22.52 H new ATOM 0 HD13 ILE A 19 -21.118 -6.421 1.419 1.00 22.52 H new ATOM 349 N ILE A 20 -22.112 -8.463 -3.929 1.00 62.21 N ATOM 350 CA ILE A 20 -22.872 -8.141 -5.130 1.00 52.11 C ATOM 351 C ILE A 20 -23.262 -9.405 -5.889 1.00 52.44 C ATOM 352 O ILE A 20 -24.442 -9.654 -6.138 1.00 20.22 O ATOM 353 CB ILE A 20 -22.076 -7.216 -6.070 1.00 24.44 C ATOM 354 CG1 ILE A 20 -21.722 -5.910 -5.356 1.00 15.20 C ATOM 355 CG2 ILE A 20 -22.871 -6.936 -7.336 1.00 65.32 C ATOM 356 CD1 ILE A 20 -20.358 -5.370 -5.723 1.00 61.34 C ATOM 0 H ILE A 20 -21.117 -8.248 -3.989 1.00 62.21 H new ATOM 0 HA ILE A 20 -23.774 -7.623 -4.803 1.00 52.11 H new ATOM 0 HB ILE A 20 -21.150 -7.717 -6.350 1.00 24.44 H new ATOM 0 HG12 ILE A 20 -22.476 -5.160 -5.593 1.00 15.20 H new ATOM 0 HG13 ILE A 20 -21.762 -6.072 -4.279 1.00 15.20 H new ATOM 0 HG21 ILE A 20 -22.295 -6.281 -7.990 1.00 65.32 H new ATOM 0 HG22 ILE A 20 -23.076 -7.874 -7.852 1.00 65.32 H new ATOM 0 HG23 ILE A 20 -23.812 -6.452 -7.075 1.00 65.32 H new ATOM 0 HD11 ILE A 20 -20.175 -4.443 -5.179 1.00 61.34 H new ATOM 0 HD12 ILE A 20 -19.594 -6.102 -5.460 1.00 61.34 H new ATOM 0 HD13 ILE A 20 -20.320 -5.175 -6.795 1.00 61.34 H new ATOM 368 N LYS A 21 -22.263 -10.201 -6.255 1.00 11.24 N ATOM 369 CA LYS A 21 -22.500 -11.441 -6.983 1.00 61.50 C ATOM 370 C LYS A 21 -23.440 -12.357 -6.206 1.00 74.44 C ATOM 371 O LYS A 21 -24.167 -13.158 -6.794 1.00 14.04 O ATOM 372 CB LYS A 21 -21.176 -12.161 -7.250 1.00 42.22 C ATOM 373 CG LYS A 21 -20.247 -11.399 -8.179 1.00 64.25 C ATOM 374 CD LYS A 21 -20.377 -11.880 -9.615 1.00 51.41 C ATOM 375 CE LYS A 21 -19.681 -10.936 -10.584 1.00 55.21 C ATOM 376 NZ LYS A 21 -19.130 -11.659 -11.763 1.00 52.04 N ATOM 0 H LYS A 21 -21.281 -10.009 -6.059 1.00 11.24 H new ATOM 0 HA LYS A 21 -22.969 -11.190 -7.934 1.00 61.50 H new ATOM 0 HB2 LYS A 21 -20.667 -12.332 -6.301 1.00 42.22 H new ATOM 0 HB3 LYS A 21 -21.385 -13.140 -7.681 1.00 42.22 H new ATOM 0 HG2 LYS A 21 -20.474 -10.334 -8.129 1.00 64.25 H new ATOM 0 HG3 LYS A 21 -19.217 -11.521 -7.845 1.00 64.25 H new ATOM 0 HD2 LYS A 21 -19.948 -12.878 -9.706 1.00 51.41 H new ATOM 0 HD3 LYS A 21 -21.432 -11.961 -9.879 1.00 51.41 H new ATOM 0 HE2 LYS A 21 -20.386 -10.176 -10.921 1.00 55.21 H new ATOM 0 HE3 LYS A 21 -18.874 -10.415 -10.068 1.00 55.21 H new ATOM 0 HZ1 LYS A 21 -18.664 -10.981 -12.399 1.00 52.04 H new ATOM 0 HZ2 LYS A 21 -18.438 -12.367 -11.444 1.00 52.04 H new ATOM 0 HZ3 LYS A 21 -19.903 -12.135 -12.271 1.00 52.04 H new ATOM 421 N ALA A 25 -27.762 -11.169 -0.281 1.00 13.11 N ATOM 422 CA ALA A 25 -26.970 -10.386 0.660 1.00 55.25 C ATOM 423 C ALA A 25 -27.366 -8.914 0.618 1.00 51.32 C ATOM 424 O ALA A 25 -27.283 -8.209 1.624 1.00 20.30 O ATOM 425 CB ALA A 25 -25.487 -10.544 0.361 1.00 71.35 C ATOM 0 HA ALA A 25 -27.169 -10.761 1.664 1.00 55.25 H new ATOM 0 HB1 ALA A 25 -24.908 -9.954 1.071 1.00 71.35 H new ATOM 0 HB2 ALA A 25 -25.208 -11.594 0.449 1.00 71.35 H new ATOM 0 HB3 ALA A 25 -25.281 -10.197 -0.652 1.00 71.35 H new ATOM 431 N VAL A 26 -27.796 -8.454 -0.553 1.00 72.21 N ATOM 432 CA VAL A 26 -28.205 -7.065 -0.726 1.00 32.42 C ATOM 433 C VAL A 26 -29.296 -6.686 0.270 1.00 42.14 C ATOM 434 O VAL A 26 -29.073 -5.879 1.172 1.00 74.12 O ATOM 435 CB VAL A 26 -28.717 -6.804 -2.155 1.00 65.50 C ATOM 436 CG1 VAL A 26 -29.129 -5.350 -2.317 1.00 53.54 C ATOM 437 CG2 VAL A 26 -27.656 -7.184 -3.177 1.00 42.44 C ATOM 0 H VAL A 26 -27.870 -9.023 -1.396 1.00 72.21 H new ATOM 0 HA VAL A 26 -27.323 -6.450 -0.547 1.00 32.42 H new ATOM 0 HB VAL A 26 -29.595 -7.426 -2.328 1.00 65.50 H new ATOM 0 HG11 VAL A 26 -29.488 -5.185 -3.333 1.00 53.54 H new ATOM 0 HG12 VAL A 26 -29.924 -5.116 -1.609 1.00 53.54 H new ATOM 0 HG13 VAL A 26 -28.271 -4.705 -2.126 1.00 53.54 H new ATOM 0 HG21 VAL A 26 -28.034 -6.993 -4.182 1.00 42.44 H new ATOM 0 HG22 VAL A 26 -26.758 -6.589 -3.008 1.00 42.44 H new ATOM 0 HG23 VAL A 26 -27.415 -8.242 -3.075 1.00 42.44 H new ATOM 447 N ALA A 27 -30.475 -7.274 0.099 1.00 14.22 N ATOM 448 CA ALA A 27 -31.601 -6.999 0.984 1.00 23.41 C ATOM 449 C ALA A 27 -31.239 -7.288 2.437 1.00 12.43 C ATOM 450 O ALA A 27 -31.545 -6.499 3.332 1.00 72.02 O ATOM 451 CB ALA A 27 -32.812 -7.820 0.567 1.00 54.50 C ATOM 0 H ALA A 27 -30.676 -7.944 -0.644 1.00 14.22 H new ATOM 0 HA ALA A 27 -31.847 -5.940 0.901 1.00 23.41 H new ATOM 0 HB1 ALA A 27 -33.645 -7.605 1.236 1.00 54.50 H new ATOM 0 HB2 ALA A 27 -33.091 -7.563 -0.455 1.00 54.50 H new ATOM 0 HB3 ALA A 27 -32.568 -8.881 0.621 1.00 54.50 H new ATOM 457 N VAL A 28 -30.587 -8.423 2.666 1.00 2.11 N ATOM 458 CA VAL A 28 -30.183 -8.815 4.011 1.00 33.11 C ATOM 459 C VAL A 28 -29.344 -7.728 4.672 1.00 0.41 C ATOM 460 O VAL A 28 -29.741 -7.151 5.685 1.00 53.24 O ATOM 461 CB VAL A 28 -29.380 -10.129 3.995 1.00 34.54 C ATOM 462 CG1 VAL A 28 -28.943 -10.505 5.403 1.00 34.30 C ATOM 463 CG2 VAL A 28 -30.200 -11.246 3.367 1.00 62.34 C ATOM 0 H VAL A 28 -30.327 -9.088 1.937 1.00 2.11 H new ATOM 0 HA VAL A 28 -31.098 -8.963 4.585 1.00 33.11 H new ATOM 0 HB VAL A 28 -28.486 -9.981 3.390 1.00 34.54 H new ATOM 0 HG11 VAL A 28 -28.377 -11.436 5.372 1.00 34.30 H new ATOM 0 HG12 VAL A 28 -28.316 -9.713 5.813 1.00 34.30 H new ATOM 0 HG13 VAL A 28 -29.822 -10.636 6.034 1.00 34.30 H new ATOM 0 HG21 VAL A 28 -29.618 -12.167 3.364 1.00 62.34 H new ATOM 0 HG22 VAL A 28 -31.113 -11.396 3.944 1.00 62.34 H new ATOM 0 HG23 VAL A 28 -30.458 -10.976 2.343 1.00 62.34 H new ATOM 473 N VAL A 29 -28.180 -7.451 4.092 1.00 32.32 N ATOM 474 CA VAL A 29 -27.284 -6.431 4.624 1.00 73.23 C ATOM 475 C VAL A 29 -27.974 -5.073 4.688 1.00 71.23 C ATOM 476 O VAL A 29 -27.942 -4.397 5.715 1.00 54.22 O ATOM 477 CB VAL A 29 -26.007 -6.306 3.771 1.00 34.45 C ATOM 478 CG1 VAL A 29 -25.084 -5.242 4.345 1.00 55.22 C ATOM 479 CG2 VAL A 29 -25.295 -7.648 3.680 1.00 54.44 C ATOM 0 H VAL A 29 -27.836 -7.919 3.254 1.00 32.32 H new ATOM 0 HA VAL A 29 -27.010 -6.744 5.632 1.00 73.23 H new ATOM 0 HB VAL A 29 -26.291 -6.001 2.764 1.00 34.45 H new ATOM 0 HG11 VAL A 29 -24.187 -5.168 3.730 1.00 55.22 H new ATOM 0 HG12 VAL A 29 -25.598 -4.281 4.355 1.00 55.22 H new ATOM 0 HG13 VAL A 29 -24.804 -5.514 5.363 1.00 55.22 H new ATOM 0 HG21 VAL A 29 -24.395 -7.542 3.074 1.00 54.44 H new ATOM 0 HG22 VAL A 29 -25.021 -7.983 4.680 1.00 54.44 H new ATOM 0 HG23 VAL A 29 -25.958 -8.381 3.220 1.00 54.44 H new ATOM 489 N GLY A 30 -28.599 -4.680 3.582 1.00 43.13 N ATOM 490 CA GLY A 30 -29.288 -3.404 3.533 1.00 14.01 C ATOM 491 C GLY A 30 -30.298 -3.247 4.653 1.00 24.42 C ATOM 492 O GLY A 30 -30.343 -2.211 5.315 1.00 54.34 O ATOM 0 H GLY A 30 -28.640 -5.223 2.719 1.00 43.13 H new ATOM 0 HA2 GLY A 30 -28.557 -2.597 3.591 1.00 14.01 H new ATOM 0 HA3 GLY A 30 -29.796 -3.305 2.574 1.00 14.01 H new ATOM 496 N GLN A 31 -31.109 -4.279 4.865 1.00 50.41 N ATOM 497 CA GLN A 31 -32.124 -4.249 5.911 1.00 20.04 C ATOM 498 C GLN A 31 -31.492 -3.997 7.276 1.00 4.11 C ATOM 499 O GLN A 31 -31.729 -2.963 7.900 1.00 40.25 O ATOM 500 CB GLN A 31 -32.903 -5.565 5.933 1.00 74.05 C ATOM 501 CG GLN A 31 -34.058 -5.604 4.945 1.00 72.14 C ATOM 502 CD GLN A 31 -34.573 -7.010 4.704 1.00 41.42 C ATOM 503 OE1 GLN A 31 -34.069 -7.728 3.840 1.00 54.13 O ATOM 504 NE2 GLN A 31 -35.582 -7.410 5.469 1.00 64.11 N ATOM 0 H GLN A 31 -31.083 -5.145 4.327 1.00 50.41 H new ATOM 0 HA GLN A 31 -32.811 -3.431 5.692 1.00 20.04 H new ATOM 0 HB2 GLN A 31 -32.220 -6.386 5.714 1.00 74.05 H new ATOM 0 HB3 GLN A 31 -33.290 -5.732 6.938 1.00 74.05 H new ATOM 0 HG2 GLN A 31 -34.872 -4.982 5.318 1.00 72.14 H new ATOM 0 HG3 GLN A 31 -33.736 -5.172 3.998 1.00 72.14 H new ATOM 0 HE21 GLN A 31 -35.969 -6.781 6.173 1.00 64.11 H new ATOM 0 HE22 GLN A 31 -35.970 -8.346 5.353 1.00 64.11 H new ATOM 513 N ALA A 32 -30.686 -4.949 7.734 1.00 22.34 N ATOM 514 CA ALA A 32 -30.018 -4.830 9.025 1.00 50.55 C ATOM 515 C ALA A 32 -29.267 -3.507 9.133 1.00 1.12 C ATOM 516 O ALA A 32 -29.368 -2.806 10.139 1.00 14.52 O ATOM 517 CB ALA A 32 -29.067 -5.998 9.237 1.00 42.11 C ATOM 0 H ALA A 32 -30.479 -5.812 7.230 1.00 22.34 H new ATOM 0 HA ALA A 32 -30.780 -4.851 9.804 1.00 50.55 H new ATOM 0 HB1 ALA A 32 -28.575 -5.896 10.205 1.00 42.11 H new ATOM 0 HB2 ALA A 32 -29.627 -6.933 9.211 1.00 42.11 H new ATOM 0 HB3 ALA A 32 -28.316 -6.004 8.447 1.00 42.11 H new ATOM 523 N ALA A 33 -28.513 -3.173 8.091 1.00 3.32 N ATOM 524 CA ALA A 33 -27.746 -1.933 8.070 1.00 64.44 C ATOM 525 C ALA A 33 -28.653 -0.723 8.258 1.00 11.45 C ATOM 526 O ALA A 33 -28.371 0.158 9.072 1.00 30.54 O ATOM 527 CB ALA A 33 -26.970 -1.816 6.766 1.00 3.31 C ATOM 0 H ALA A 33 -28.417 -3.743 7.251 1.00 3.32 H new ATOM 0 HA ALA A 33 -27.040 -1.957 8.900 1.00 64.44 H new ATOM 0 HB1 ALA A 33 -26.402 -0.886 6.763 1.00 3.31 H new ATOM 0 HB2 ALA A 33 -26.286 -2.660 6.673 1.00 3.31 H new ATOM 0 HB3 ALA A 33 -27.666 -1.819 5.927 1.00 3.31 H new ATOM 533 N THR A 34 -29.745 -0.683 7.501 1.00 42.14 N ATOM 534 CA THR A 34 -30.693 0.421 7.583 1.00 22.12 C ATOM 535 C THR A 34 -31.382 0.453 8.942 1.00 34.13 C ATOM 536 O THR A 34 -31.627 1.522 9.501 1.00 42.53 O ATOM 537 CB THR A 34 -31.763 0.326 6.479 1.00 1.13 C ATOM 538 OG1 THR A 34 -31.137 0.287 5.192 1.00 22.11 O ATOM 539 CG2 THR A 34 -32.718 1.508 6.549 1.00 41.25 C ATOM 0 H THR A 34 -29.995 -1.403 6.823 1.00 42.14 H new ATOM 0 HA THR A 34 -30.122 1.339 7.446 1.00 22.12 H new ATOM 0 HB THR A 34 -32.332 -0.591 6.633 1.00 1.13 H new ATOM 0 HG1 THR A 34 -30.958 -0.644 4.943 1.00 22.11 H new ATOM 0 HG21 THR A 34 -33.465 1.420 5.760 1.00 41.25 H new ATOM 0 HG22 THR A 34 -33.215 1.518 7.519 1.00 41.25 H new ATOM 0 HG23 THR A 34 -32.160 2.435 6.418 1.00 41.25 H new ATOM 547 N VAL A 35 -31.694 -0.726 9.471 1.00 62.53 N ATOM 548 CA VAL A 35 -32.354 -0.833 10.766 1.00 30.42 C ATOM 549 C VAL A 35 -31.428 -0.390 11.893 1.00 20.02 C ATOM 550 O VAL A 35 -31.849 0.298 12.823 1.00 33.23 O ATOM 551 CB VAL A 35 -32.824 -2.275 11.040 1.00 42.45 C ATOM 552 CG1 VAL A 35 -33.483 -2.371 12.407 1.00 61.21 C ATOM 553 CG2 VAL A 35 -33.773 -2.741 9.947 1.00 74.24 C ATOM 0 H VAL A 35 -31.500 -1.621 9.022 1.00 62.53 H new ATOM 0 HA VAL A 35 -33.223 -0.176 10.733 1.00 30.42 H new ATOM 0 HB VAL A 35 -31.953 -2.930 11.037 1.00 42.45 H new ATOM 0 HG11 VAL A 35 -33.808 -3.396 12.583 1.00 61.21 H new ATOM 0 HG12 VAL A 35 -32.768 -2.080 13.177 1.00 61.21 H new ATOM 0 HG13 VAL A 35 -34.346 -1.705 12.443 1.00 61.21 H new ATOM 0 HG21 VAL A 35 -34.095 -3.761 10.156 1.00 74.24 H new ATOM 0 HG22 VAL A 35 -34.643 -2.085 9.916 1.00 74.24 H new ATOM 0 HG23 VAL A 35 -33.262 -2.712 8.985 1.00 74.24 H new ATOM 563 N VAL A 36 -30.163 -0.788 11.804 1.00 61.24 N ATOM 564 CA VAL A 36 -29.175 -0.431 12.815 1.00 54.31 C ATOM 565 C VAL A 36 -28.767 1.033 12.691 1.00 30.11 C ATOM 566 O VAL A 36 -28.837 1.793 13.657 1.00 34.22 O ATOM 567 CB VAL A 36 -27.918 -1.314 12.709 1.00 50.15 C ATOM 568 CG1 VAL A 36 -26.893 -0.913 13.759 1.00 52.04 C ATOM 569 CG2 VAL A 36 -28.287 -2.783 12.845 1.00 24.51 C ATOM 0 H VAL A 36 -29.798 -1.358 11.041 1.00 61.24 H new ATOM 0 HA VAL A 36 -29.643 -0.594 13.786 1.00 54.31 H new ATOM 0 HB VAL A 36 -27.472 -1.165 11.726 1.00 50.15 H new ATOM 0 HG11 VAL A 36 -26.012 -1.548 13.668 1.00 52.04 H new ATOM 0 HG12 VAL A 36 -26.607 0.128 13.609 1.00 52.04 H new ATOM 0 HG13 VAL A 36 -27.325 -1.031 14.753 1.00 52.04 H new ATOM 0 HG21 VAL A 36 -27.387 -3.393 12.768 1.00 24.51 H new ATOM 0 HG22 VAL A 36 -28.758 -2.952 13.814 1.00 24.51 H new ATOM 0 HG23 VAL A 36 -28.981 -3.059 12.051 1.00 24.51 H new ATOM 579 N LYS A 37 -28.340 1.423 11.495 1.00 61.01 N ATOM 580 CA LYS A 37 -27.921 2.797 11.242 1.00 72.51 C ATOM 581 C LYS A 37 -29.130 3.712 11.079 1.00 40.53 C ATOM 582 O LYS A 37 -29.427 4.526 11.954 1.00 52.13 O ATOM 583 CB LYS A 37 -27.045 2.862 9.989 1.00 75.14 C ATOM 584 CG LYS A 37 -26.521 4.255 9.685 1.00 22.42 C ATOM 585 CD LYS A 37 -26.033 4.367 8.250 1.00 34.44 C ATOM 586 CE LYS A 37 -25.883 5.819 7.825 1.00 60.05 C ATOM 587 NZ LYS A 37 -24.478 6.146 7.454 1.00 72.31 N ATOM 0 H LYS A 37 -28.275 0.807 10.685 1.00 61.01 H new ATOM 0 HA LYS A 37 -27.342 3.139 12.100 1.00 72.51 H new ATOM 0 HB2 LYS A 37 -26.200 2.184 10.111 1.00 75.14 H new ATOM 0 HB3 LYS A 37 -27.620 2.505 9.135 1.00 75.14 H new ATOM 0 HG2 LYS A 37 -27.309 4.987 9.860 1.00 22.42 H new ATOM 0 HG3 LYS A 37 -25.705 4.495 10.367 1.00 22.42 H new ATOM 0 HD2 LYS A 37 -25.075 3.856 8.149 1.00 34.44 H new ATOM 0 HD3 LYS A 37 -26.735 3.863 7.585 1.00 34.44 H new ATOM 0 HE2 LYS A 37 -26.538 6.019 6.977 1.00 60.05 H new ATOM 0 HE3 LYS A 37 -26.205 6.470 8.637 1.00 60.05 H new ATOM 0 HZ1 LYS A 37 -24.417 7.145 7.170 1.00 72.31 H new ATOM 0 HZ2 LYS A 37 -23.856 5.980 8.270 1.00 72.31 H new ATOM 0 HZ3 LYS A 37 -24.179 5.542 6.662 1.00 72.31 H new