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= -0.0334 K(o=-0.033,f=-1.2) 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 80:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 -0.293 -2.198 0.396 1.00 53.03 N ATOM 50 CA LYS A 3 -1.478 -1.842 1.168 1.00 60.42 C ATOM 51 C LYS A 3 -2.618 -1.414 0.249 1.00 3.20 C ATOM 52 O LYS A 3 -3.575 -2.160 0.043 1.00 71.30 O ATOM 53 CB LYS A 3 -1.152 -0.717 2.152 1.00 24.01 C ATOM 54 CG LYS A 3 -0.904 -1.202 3.570 1.00 15.12 C ATOM 55 CD LYS A 3 -0.020 -0.238 4.343 1.00 40.11 C ATOM 56 CE LYS A 3 -0.020 -0.553 5.831 1.00 3.40 C ATOM 57 NZ LYS A 3 0.307 0.646 6.651 1.00 2.44 N ATOM 0 HA LYS A 3 -1.796 -2.723 1.726 1.00 60.42 H new ATOM 0 HB2 LYS A 3 -0.270 -0.182 1.800 1.00 24.01 H new ATOM 0 HB3 LYS A 3 -1.975 -0.003 2.160 1.00 24.01 H new ATOM 0 HG2 LYS A 3 -1.856 -1.318 4.087 1.00 15.12 H new ATOM 0 HG3 LYS A 3 -0.434 -2.185 3.542 1.00 15.12 H new ATOM 0 HD2 LYS A 3 0.999 -0.289 3.959 1.00 40.11 H new ATOM 0 HD3 LYS A 3 -0.369 0.783 4.186 1.00 40.11 H new ATOM 0 HE2 LYS A 3 -0.998 -0.936 6.121 1.00 3.40 H new ATOM 0 HE3 LYS A 3 0.704 -1.341 6.035 1.00 3.40 H new ATOM 0 HZ1 LYS A 3 0.297 0.390 7.659 1.00 2.44 H new ATOM 0 HZ2 LYS A 3 1.251 0.997 6.392 1.00 2.44 H new ATOM 0 HZ3 LYS A 3 -0.399 1.390 6.475 1.00 2.44 H new ATOM 71 N ILE A 4 -2.507 -0.209 -0.301 1.00 32.31 N ATOM 72 CA ILE A 4 -3.528 0.316 -1.199 1.00 45.15 C ATOM 73 C ILE A 4 -3.838 -0.673 -2.318 1.00 24.34 C ATOM 74 O ILE A 4 -4.989 -0.823 -2.727 1.00 70.01 O ATOM 75 CB ILE A 4 -3.094 1.657 -1.821 1.00 62.32 C ATOM 76 CG1 ILE A 4 -4.166 2.167 -2.787 1.00 23.42 C ATOM 77 CG2 ILE A 4 -1.760 1.502 -2.536 1.00 3.11 C ATOM 78 CD1 ILE A 4 -3.842 3.514 -3.392 1.00 42.51 C ATOM 0 H ILE A 4 -1.721 0.421 -0.141 1.00 32.31 H new ATOM 0 HA ILE A 4 -4.424 0.475 -0.599 1.00 45.15 H new ATOM 0 HB ILE A 4 -2.973 2.389 -1.022 1.00 62.32 H new ATOM 0 HG12 ILE A 4 -4.297 1.440 -3.588 1.00 23.42 H new ATOM 0 HG13 ILE A 4 -5.117 2.234 -2.259 1.00 23.42 H new ATOM 0 HG21 ILE A 4 -1.467 2.458 -2.970 1.00 3.11 H new ATOM 0 HG22 ILE A 4 -1.001 1.179 -1.824 1.00 3.11 H new ATOM 0 HG23 ILE A 4 -1.855 0.758 -3.327 1.00 3.11 H new ATOM 0 HD11 ILE A 4 -4.645 3.813 -4.066 1.00 42.51 H new ATOM 0 HD12 ILE A 4 -3.740 4.254 -2.598 1.00 42.51 H new ATOM 0 HD13 ILE A 4 -2.907 3.448 -3.949 1.00 42.51 H new ATOM 90 N PHE A 5 -2.803 -1.348 -2.807 1.00 23.43 N ATOM 91 CA PHE A 5 -2.964 -2.325 -3.877 1.00 72.14 C ATOM 92 C PHE A 5 -3.949 -3.418 -3.472 1.00 63.34 C ATOM 93 O PHE A 5 -5.055 -3.503 -4.006 1.00 51.31 O ATOM 94 CB PHE A 5 -1.613 -2.947 -4.237 1.00 33.31 C ATOM 95 CG PHE A 5 -1.037 -2.427 -5.522 1.00 43.24 C ATOM 96 CD1 PHE A 5 -0.224 -1.305 -5.528 1.00 44.12 C ATOM 97 CD2 PHE A 5 -1.308 -3.059 -6.725 1.00 71.10 C ATOM 98 CE1 PHE A 5 0.309 -0.823 -6.709 1.00 70.44 C ATOM 99 CE2 PHE A 5 -0.778 -2.583 -7.909 1.00 51.51 C ATOM 100 CZ PHE A 5 0.030 -1.463 -7.901 1.00 44.45 C ATOM 0 H PHE A 5 -1.844 -1.236 -2.479 1.00 23.43 H new ATOM 0 HA PHE A 5 -3.362 -1.808 -4.750 1.00 72.14 H new ATOM 0 HB2 PHE A 5 -0.907 -2.756 -3.428 1.00 33.31 H new ATOM 0 HB3 PHE A 5 -1.728 -4.028 -4.311 1.00 33.31 H new ATOM 0 HD1 PHE A 5 -0.004 -0.801 -4.599 1.00 44.12 H new ATOM 0 HD2 PHE A 5 -1.941 -3.934 -6.737 1.00 71.10 H new ATOM 0 HE1 PHE A 5 0.942 0.052 -6.700 1.00 70.44 H new ATOM 0 HE2 PHE A 5 -0.995 -3.086 -8.840 1.00 51.51 H new ATOM 0 HZ PHE A 5 0.443 -1.088 -8.826 1.00 44.45 H new ATOM 110 N LYS A 6 -3.538 -4.255 -2.525 1.00 40.33 N ATOM 111 CA LYS A 6 -4.382 -5.343 -2.046 1.00 62.14 C ATOM 112 C LYS A 6 -5.713 -4.811 -1.526 1.00 12.20 C ATOM 113 O LYS A 6 -6.757 -5.440 -1.701 1.00 63.14 O ATOM 114 CB LYS A 6 -3.665 -6.123 -0.942 1.00 35.22 C ATOM 115 CG LYS A 6 -4.239 -7.510 -0.706 1.00 53.41 C ATOM 116 CD LYS A 6 -3.973 -7.990 0.711 1.00 50.04 C ATOM 117 CE LYS A 6 -4.894 -7.310 1.712 1.00 33.30 C ATOM 118 NZ LYS A 6 -4.958 -8.054 3.001 1.00 71.14 N ATOM 0 H LYS A 6 -2.625 -4.200 -2.074 1.00 40.33 H new ATOM 0 HA LYS A 6 -4.581 -6.011 -2.884 1.00 62.14 H new ATOM 0 HB2 LYS A 6 -2.610 -6.215 -1.200 1.00 35.22 H new ATOM 0 HB3 LYS A 6 -3.718 -5.554 -0.014 1.00 35.22 H new ATOM 0 HG2 LYS A 6 -5.313 -7.497 -0.891 1.00 53.41 H new ATOM 0 HG3 LYS A 6 -3.802 -8.211 -1.417 1.00 53.41 H new ATOM 0 HD2 LYS A 6 -4.112 -9.070 0.763 1.00 50.04 H new ATOM 0 HD3 LYS A 6 -2.935 -7.789 0.975 1.00 50.04 H new ATOM 0 HE2 LYS A 6 -4.544 -6.294 1.896 1.00 33.30 H new ATOM 0 HE3 LYS A 6 -5.895 -7.230 1.289 1.00 33.30 H new ATOM 0 HZ1 LYS A 6 -5.596 -7.559 3.656 1.00 71.14 H new ATOM 0 HZ2 LYS A 6 -5.316 -9.015 2.830 1.00 71.14 H new ATOM 0 HZ3 LYS A 6 -4.007 -8.108 3.418 1.00 71.14 H new ATOM 132 N LYS A 7 -5.670 -3.647 -0.886 1.00 74.01 N ATOM 133 CA LYS A 7 -6.873 -3.028 -0.342 1.00 51.33 C ATOM 134 C LYS A 7 -7.877 -2.723 -1.450 1.00 5.31 C ATOM 135 O LYS A 7 -8.958 -3.310 -1.499 1.00 42.23 O ATOM 136 CB LYS A 7 -6.516 -1.741 0.405 1.00 3.01 C ATOM 137 CG LYS A 7 -6.033 -1.977 1.826 1.00 54.10 C ATOM 138 CD LYS A 7 -7.193 -2.035 2.806 1.00 10.11 C ATOM 139 CE LYS A 7 -7.477 -0.670 3.415 1.00 22.53 C ATOM 140 NZ LYS A 7 -6.720 -0.460 4.681 1.00 54.34 N ATOM 0 H LYS A 7 -4.815 -3.113 -0.731 1.00 74.01 H new ATOM 0 HA LYS A 7 -7.330 -3.731 0.355 1.00 51.33 H new ATOM 0 HB2 LYS A 7 -5.742 -1.212 -0.150 1.00 3.01 H new ATOM 0 HB3 LYS A 7 -7.391 -1.091 0.431 1.00 3.01 H new ATOM 0 HG2 LYS A 7 -5.471 -2.910 1.870 1.00 54.10 H new ATOM 0 HG3 LYS A 7 -5.350 -1.179 2.116 1.00 54.10 H new ATOM 0 HD2 LYS A 7 -8.084 -2.399 2.295 1.00 10.11 H new ATOM 0 HD3 LYS A 7 -6.966 -2.748 3.598 1.00 10.11 H new ATOM 0 HE2 LYS A 7 -7.212 0.109 2.700 1.00 22.53 H new ATOM 0 HE3 LYS A 7 -8.545 -0.574 3.610 1.00 22.53 H new ATOM 0 HZ1 LYS A 7 -6.940 0.481 5.065 1.00 54.34 H new ATOM 0 HZ2 LYS A 7 -6.991 -1.188 5.372 1.00 54.34 H new ATOM 0 HZ3 LYS A 7 -5.700 -0.526 4.490 1.00 54.34 H new ATOM 154 N ILE A 8 -7.511 -1.803 -2.337 1.00 22.15 N ATOM 155 CA ILE A 8 -8.378 -1.423 -3.444 1.00 74.24 C ATOM 156 C ILE A 8 -8.723 -2.629 -4.312 1.00 23.44 C ATOM 157 O ILE A 8 -9.862 -2.786 -4.749 1.00 71.10 O ATOM 158 CB ILE A 8 -7.726 -0.341 -4.325 1.00 62.42 C ATOM 159 CG1 ILE A 8 -7.405 0.901 -3.492 1.00 34.04 C ATOM 160 CG2 ILE A 8 -8.638 0.016 -5.489 1.00 33.31 C ATOM 161 CD1 ILE A 8 -8.633 1.588 -2.935 1.00 43.33 C ATOM 0 H ILE A 8 -6.620 -1.308 -2.310 1.00 22.15 H new ATOM 0 HA ILE A 8 -9.291 -1.021 -3.005 1.00 74.24 H new ATOM 0 HB ILE A 8 -6.793 -0.736 -4.728 1.00 62.42 H new ATOM 0 HG12 ILE A 8 -6.752 0.617 -2.667 1.00 34.04 H new ATOM 0 HG13 ILE A 8 -6.850 1.609 -4.108 1.00 34.04 H new ATOM 0 HG21 ILE A 8 -8.163 0.782 -6.102 1.00 33.31 H new ATOM 0 HG22 ILE A 8 -8.820 -0.872 -6.094 1.00 33.31 H new ATOM 0 HG23 ILE A 8 -9.586 0.394 -5.106 1.00 33.31 H new ATOM 0 HD11 ILE A 8 -8.331 2.460 -2.355 1.00 43.33 H new ATOM 0 HD12 ILE A 8 -9.277 1.903 -3.756 1.00 43.33 H new ATOM 0 HD13 ILE A 8 -9.177 0.896 -2.292 1.00 43.33 H new ATOM 173 N GLU A 9 -7.730 -3.480 -4.554 1.00 40.43 N ATOM 174 CA GLU A 9 -7.929 -4.673 -5.369 1.00 0.23 C ATOM 175 C GLU A 9 -8.976 -5.590 -4.743 1.00 53.24 C ATOM 176 O GLU A 9 -9.932 -5.999 -5.402 1.00 75.50 O ATOM 177 CB GLU A 9 -6.609 -5.428 -5.537 1.00 71.32 C ATOM 178 CG GLU A 9 -6.677 -6.553 -6.556 1.00 75.13 C ATOM 179 CD GLU A 9 -6.247 -6.112 -7.942 1.00 32.02 C ATOM 180 OE1 GLU A 9 -6.328 -4.900 -8.231 1.00 73.11 O ATOM 181 OE2 GLU A 9 -5.829 -6.980 -8.737 1.00 10.22 O ATOM 0 H GLU A 9 -6.781 -3.365 -4.198 1.00 40.43 H new ATOM 0 HA GLU A 9 -8.286 -4.358 -6.349 1.00 0.23 H new ATOM 0 HB2 GLU A 9 -5.833 -4.724 -5.837 1.00 71.32 H new ATOM 0 HB3 GLU A 9 -6.310 -5.840 -4.573 1.00 71.32 H new ATOM 0 HG2 GLU A 9 -6.041 -7.375 -6.227 1.00 75.13 H new ATOM 0 HG3 GLU A 9 -7.696 -6.936 -6.601 1.00 75.13 H new ATOM 188 N LYS A 10 -8.789 -5.909 -3.467 1.00 45.23 N ATOM 189 CA LYS A 10 -9.716 -6.776 -2.751 1.00 24.53 C ATOM 190 C LYS A 10 -11.082 -6.114 -2.609 1.00 52.13 C ATOM 191 O LYS A 10 -12.097 -6.665 -3.036 1.00 14.53 O ATOM 192 CB LYS A 10 -9.158 -7.121 -1.368 1.00 15.25 C ATOM 193 CG LYS A 10 -9.919 -8.232 -0.665 1.00 14.44 C ATOM 194 CD LYS A 10 -9.037 -9.444 -0.421 1.00 71.52 C ATOM 195 CE LYS A 10 -9.853 -10.728 -0.381 1.00 45.20 C ATOM 196 NZ LYS A 10 -9.719 -11.510 -1.641 1.00 43.33 N ATOM 0 H LYS A 10 -8.003 -5.579 -2.907 1.00 45.23 H new ATOM 0 HA LYS A 10 -9.835 -7.693 -3.328 1.00 24.53 H new ATOM 0 HB2 LYS A 10 -8.114 -7.416 -1.470 1.00 15.25 H new ATOM 0 HB3 LYS A 10 -9.178 -6.227 -0.744 1.00 15.25 H new ATOM 0 HG2 LYS A 10 -10.305 -7.865 0.286 1.00 14.44 H new ATOM 0 HG3 LYS A 10 -10.780 -8.523 -1.268 1.00 14.44 H new ATOM 0 HD2 LYS A 10 -8.286 -9.513 -1.208 1.00 71.52 H new ATOM 0 HD3 LYS A 10 -8.502 -9.322 0.521 1.00 71.52 H new ATOM 0 HE2 LYS A 10 -9.528 -11.339 0.462 1.00 45.20 H new ATOM 0 HE3 LYS A 10 -10.903 -10.486 -0.214 1.00 45.20 H new ATOM 0 HZ1 LYS A 10 -10.290 -12.377 -1.574 1.00 43.33 H new ATOM 0 HZ2 LYS A 10 -10.053 -10.937 -2.442 1.00 43.33 H new ATOM 0 HZ3 LYS A 10 -8.721 -11.763 -1.788 1.00 43.33 H new ATOM 210 N VAL A 11 -11.101 -4.928 -2.009 1.00 43.22 N ATOM 211 CA VAL A 11 -12.342 -4.189 -1.814 1.00 54.13 C ATOM 212 C VAL A 11 -13.097 -4.026 -3.129 1.00 0.21 C ATOM 213 O VAL A 11 -14.325 -4.084 -3.163 1.00 53.21 O ATOM 214 CB VAL A 11 -12.078 -2.797 -1.211 1.00 12.25 C ATOM 215 CG1 VAL A 11 -13.381 -2.030 -1.047 1.00 14.35 C ATOM 216 CG2 VAL A 11 -11.353 -2.923 0.121 1.00 50.12 C ATOM 0 H VAL A 11 -10.270 -4.458 -1.649 1.00 43.22 H new ATOM 0 HA VAL A 11 -12.949 -4.769 -1.119 1.00 54.13 H new ATOM 0 HB VAL A 11 -11.439 -2.239 -1.896 1.00 12.25 H new ATOM 0 HG11 VAL A 11 -13.174 -1.049 -0.620 1.00 14.35 H new ATOM 0 HG12 VAL A 11 -13.857 -1.909 -2.020 1.00 14.35 H new ATOM 0 HG13 VAL A 11 -14.047 -2.582 -0.384 1.00 14.35 H new ATOM 0 HG21 VAL A 11 -11.174 -1.930 0.533 1.00 50.12 H new ATOM 0 HG22 VAL A 11 -11.965 -3.499 0.815 1.00 50.12 H new ATOM 0 HG23 VAL A 11 -10.400 -3.430 -0.030 1.00 50.12 H new ATOM 226 N GLY A 12 -12.352 -3.822 -4.211 1.00 51.53 N ATOM 227 CA GLY A 12 -12.968 -3.653 -5.515 1.00 21.44 C ATOM 228 C GLY A 12 -13.708 -4.895 -5.970 1.00 73.05 C ATOM 229 O GLY A 12 -14.890 -4.832 -6.310 1.00 10.51 O ATOM 0 H GLY A 12 -11.333 -3.771 -4.208 1.00 51.53 H new ATOM 0 HA2 GLY A 12 -13.661 -2.813 -5.480 1.00 21.44 H new ATOM 0 HA3 GLY A 12 -12.200 -3.402 -6.247 1.00 21.44 H new ATOM 233 N ARG A 13 -13.012 -6.027 -5.980 1.00 73.12 N ATOM 234 CA ARG A 13 -13.611 -7.288 -6.401 1.00 24.31 C ATOM 235 C ARG A 13 -14.690 -7.732 -5.418 1.00 71.51 C ATOM 236 O ARG A 13 -15.695 -8.324 -5.810 1.00 41.24 O ATOM 237 CB ARG A 13 -12.537 -8.372 -6.520 1.00 53.21 C ATOM 238 CG ARG A 13 -13.078 -9.717 -6.978 1.00 43.40 C ATOM 239 CD ARG A 13 -12.116 -10.408 -7.932 1.00 54.54 C ATOM 240 NE ARG A 13 -12.689 -10.567 -9.266 1.00 52.44 N ATOM 241 CZ ARG A 13 -12.039 -11.120 -10.284 1.00 52.01 C ATOM 242 NH1 ARG A 13 -10.801 -11.565 -10.121 1.00 30.12 N ATOM 243 NH2 ARG A 13 -12.628 -11.229 -11.468 1.00 60.32 N ATOM 0 H ARG A 13 -12.033 -6.097 -5.702 1.00 73.12 H new ATOM 0 HA ARG A 13 -14.073 -7.135 -7.376 1.00 24.31 H new ATOM 0 HB2 ARG A 13 -11.773 -8.039 -7.222 1.00 53.21 H new ATOM 0 HB3 ARG A 13 -12.049 -8.496 -5.553 1.00 53.21 H new ATOM 0 HG2 ARG A 13 -13.253 -10.354 -6.111 1.00 43.40 H new ATOM 0 HG3 ARG A 13 -14.041 -9.575 -7.469 1.00 43.40 H new ATOM 0 HD2 ARG A 13 -11.194 -9.830 -8.000 1.00 54.54 H new ATOM 0 HD3 ARG A 13 -11.850 -11.387 -7.533 1.00 54.54 H new ATOM 0 HE ARG A 13 -13.640 -10.235 -9.425 1.00 52.44 H new ATOM 0 HH11 ARG A 13 -10.345 -11.483 -9.212 1.00 30.12 H new ATOM 0 HH12 ARG A 13 -10.304 -11.989 -10.904 1.00 30.12 H new ATOM 0 HH21 ARG A 13 -13.581 -10.888 -11.597 1.00 60.32 H new ATOM 0 HH22 ARG A 13 -12.128 -11.654 -12.249 1.00 60.32 H new ATOM 257 N ASN A 14 -14.474 -7.443 -4.139 1.00 62.20 N ATOM 258 CA ASN A 14 -15.428 -7.814 -3.100 1.00 5.22 C ATOM 259 C ASN A 14 -16.816 -7.267 -3.416 1.00 74.42 C ATOM 260 O ASN A 14 -17.734 -8.022 -3.738 1.00 61.43 O ATOM 261 CB ASN A 14 -14.960 -7.292 -1.740 1.00 23.24 C ATOM 262 CG ASN A 14 -14.029 -8.262 -1.038 1.00 2.14 C ATOM 263 OD1 ASN A 14 -13.523 -9.205 -1.646 1.00 71.11 O ATOM 264 ND2 ASN A 14 -13.799 -8.034 0.250 1.00 5.42 N ATOM 0 H ASN A 14 -13.647 -6.953 -3.797 1.00 62.20 H new ATOM 0 HA ASN A 14 -15.485 -8.902 -3.065 1.00 5.22 H new ATOM 0 HB2 ASN A 14 -14.451 -6.338 -1.876 1.00 23.24 H new ATOM 0 HB3 ASN A 14 -15.828 -7.103 -1.108 1.00 23.24 H new ATOM 0 HD21 ASN A 14 -13.181 -8.653 0.775 1.00 5.42 H new ATOM 0 HD22 ASN A 14 -14.240 -7.240 0.714 1.00 5.42 H new ATOM 271 N VAL A 15 -16.963 -5.950 -3.323 1.00 14.44 N ATOM 272 CA VAL A 15 -18.239 -5.301 -3.600 1.00 74.14 C ATOM 273 C VAL A 15 -18.795 -5.738 -4.951 1.00 52.31 C ATOM 274 O VAL A 15 -19.951 -6.148 -5.055 1.00 33.03 O ATOM 275 CB VAL A 15 -18.104 -3.767 -3.585 1.00 12.21 C ATOM 276 CG1 VAL A 15 -19.448 -3.109 -3.862 1.00 23.51 C ATOM 277 CG2 VAL A 15 -17.535 -3.296 -2.255 1.00 51.11 C ATOM 0 H VAL A 15 -16.214 -5.311 -3.058 1.00 14.44 H new ATOM 0 HA VAL A 15 -18.927 -5.605 -2.811 1.00 74.14 H new ATOM 0 HB VAL A 15 -17.413 -3.473 -4.375 1.00 12.21 H new ATOM 0 HG11 VAL A 15 -19.332 -2.025 -3.847 1.00 23.51 H new ATOM 0 HG12 VAL A 15 -19.811 -3.422 -4.841 1.00 23.51 H new ATOM 0 HG13 VAL A 15 -20.164 -3.408 -3.097 1.00 23.51 H new ATOM 0 HG21 VAL A 15 -17.446 -2.210 -2.262 1.00 51.11 H new ATOM 0 HG22 VAL A 15 -18.199 -3.601 -1.447 1.00 51.11 H new ATOM 0 HG23 VAL A 15 -16.551 -3.740 -2.103 1.00 51.11 H new ATOM 287 N ARG A 16 -17.964 -5.647 -5.984 1.00 70.11 N ATOM 288 CA ARG A 16 -18.373 -6.032 -7.330 1.00 24.24 C ATOM 289 C ARG A 16 -18.977 -7.433 -7.334 1.00 61.41 C ATOM 290 O ARG A 16 -20.151 -7.613 -7.658 1.00 41.15 O ATOM 291 CB ARG A 16 -17.178 -5.977 -8.284 1.00 31.43 C ATOM 292 CG ARG A 16 -16.924 -4.595 -8.862 1.00 63.02 C ATOM 293 CD ARG A 16 -16.031 -4.661 -10.091 1.00 61.34 C ATOM 294 NE ARG A 16 -14.676 -4.195 -9.810 1.00 10.23 N ATOM 295 CZ ARG A 16 -13.653 -4.362 -10.641 1.00 34.22 C ATOM 296 NH1 ARG A 16 -13.831 -4.981 -11.800 1.00 32.23 N ATOM 297 NH2 ARG A 16 -12.450 -3.909 -10.313 1.00 62.45 N ATOM 0 H ARG A 16 -17.004 -5.310 -5.915 1.00 70.11 H new ATOM 0 HA ARG A 16 -19.132 -5.327 -7.668 1.00 24.24 H new ATOM 0 HB2 ARG A 16 -16.285 -6.310 -7.754 1.00 31.43 H new ATOM 0 HB3 ARG A 16 -17.344 -6.679 -9.101 1.00 31.43 H new ATOM 0 HG2 ARG A 16 -17.874 -4.129 -9.125 1.00 63.02 H new ATOM 0 HG3 ARG A 16 -16.458 -3.963 -8.106 1.00 63.02 H new ATOM 0 HD2 ARG A 16 -15.993 -5.687 -10.456 1.00 61.34 H new ATOM 0 HD3 ARG A 16 -16.465 -4.055 -10.887 1.00 61.34 H new ATOM 0 HE ARG A 16 -14.505 -3.715 -8.927 1.00 10.23 H new ATOM 0 HH11 ARG A 16 -14.755 -5.330 -12.055 1.00 32.23 H new ATOM 0 HH12 ARG A 16 -13.044 -5.108 -12.436 1.00 32.23 H new ATOM 0 HH21 ARG A 16 -12.310 -3.432 -9.422 1.00 62.45 H new ATOM 0 HH22 ARG A 16 -11.665 -4.038 -10.952 1.00 62.45 H new ATOM 311 N ASP A 17 -18.167 -8.422 -6.973 1.00 20.43 N ATOM 312 CA ASP A 17 -18.621 -9.808 -6.934 1.00 54.54 C ATOM 313 C ASP A 17 -19.853 -9.951 -6.045 1.00 65.22 C ATOM 314 O ASP A 17 -20.759 -10.727 -6.344 1.00 14.02 O ATOM 315 CB ASP A 17 -17.503 -10.720 -6.429 1.00 44.10 C ATOM 316 CG ASP A 17 -17.673 -12.154 -6.889 1.00 34.44 C ATOM 317 OD1 ASP A 17 -18.651 -12.433 -7.615 1.00 3.20 O ATOM 318 OD2 ASP A 17 -16.829 -12.999 -6.523 1.00 14.33 O ATOM 0 H ASP A 17 -17.192 -8.290 -6.703 1.00 20.43 H new ATOM 0 HA ASP A 17 -18.890 -10.105 -7.948 1.00 54.54 H new ATOM 0 HB2 ASP A 17 -16.543 -10.341 -6.779 1.00 44.10 H new ATOM 0 HB3 ASP A 17 -17.479 -10.691 -5.340 1.00 44.10 H new ATOM 323 N GLY A 18 -19.876 -9.198 -4.950 1.00 14.13 N ATOM 324 CA GLY A 18 -21.000 -9.257 -4.033 1.00 70.21 C ATOM 325 C GLY A 18 -22.291 -8.777 -4.666 1.00 43.33 C ATOM 326 O GLY A 18 -23.335 -9.412 -4.521 1.00 33.43 O ATOM 0 H GLY A 18 -19.137 -8.548 -4.681 1.00 14.13 H new ATOM 0 HA2 GLY A 18 -21.128 -10.282 -3.686 1.00 70.21 H new ATOM 0 HA3 GLY A 18 -20.781 -8.649 -3.155 1.00 70.21 H new ATOM 330 N ILE A 19 -22.220 -7.651 -5.369 1.00 61.43 N ATOM 331 CA ILE A 19 -23.392 -7.087 -6.026 1.00 12.40 C ATOM 332 C ILE A 19 -23.765 -7.887 -7.269 1.00 71.12 C ATOM 333 O ILE A 19 -24.944 -8.041 -7.590 1.00 21.21 O ATOM 334 CB ILE A 19 -23.160 -5.617 -6.426 1.00 34.44 C ATOM 335 CG1 ILE A 19 -22.851 -4.772 -5.188 1.00 73.22 C ATOM 336 CG2 ILE A 19 -24.376 -5.070 -7.158 1.00 12.51 C ATOM 337 CD1 ILE A 19 -24.001 -4.692 -4.209 1.00 13.22 C ATOM 0 H ILE A 19 -21.364 -7.112 -5.498 1.00 61.43 H new ATOM 0 HA ILE A 19 -24.210 -7.136 -5.307 1.00 12.40 H new ATOM 0 HB ILE A 19 -22.303 -5.569 -7.098 1.00 34.44 H new ATOM 0 HG12 ILE A 19 -21.981 -5.190 -4.681 1.00 73.22 H new ATOM 0 HG13 ILE A 19 -22.582 -3.764 -5.504 1.00 73.22 H new ATOM 0 HG21 ILE A 19 -24.197 -4.031 -7.434 1.00 12.51 H new ATOM 0 HG22 ILE A 19 -24.555 -5.659 -8.058 1.00 12.51 H new ATOM 0 HG23 ILE A 19 -25.249 -5.128 -6.507 1.00 12.51 H new ATOM 0 HD11 ILE A 19 -23.711 -4.078 -3.357 1.00 13.22 H new ATOM 0 HD12 ILE A 19 -24.866 -4.247 -4.700 1.00 13.22 H new ATOM 0 HD13 ILE A 19 -24.256 -5.694 -3.864 1.00 13.22 H new ATOM 349 N ILE A 20 -22.753 -8.396 -7.964 1.00 52.20 N ATOM 350 CA ILE A 20 -22.975 -9.183 -9.170 1.00 71.33 C ATOM 351 C ILE A 20 -23.569 -10.547 -8.835 1.00 72.10 C ATOM 352 O ILE A 20 -24.516 -11.000 -9.479 1.00 64.02 O ATOM 353 CB ILE A 20 -21.668 -9.385 -9.959 1.00 62.21 C ATOM 354 CG1 ILE A 20 -21.081 -8.033 -10.371 1.00 22.54 C ATOM 355 CG2 ILE A 20 -21.916 -10.255 -11.182 1.00 72.32 C ATOM 356 CD1 ILE A 20 -19.578 -8.054 -10.540 1.00 42.12 C ATOM 0 H ILE A 20 -21.772 -8.277 -7.712 1.00 52.20 H new ATOM 0 HA ILE A 20 -23.679 -8.624 -9.786 1.00 71.33 H new ATOM 0 HB ILE A 20 -20.948 -9.892 -9.316 1.00 62.21 H new ATOM 0 HG12 ILE A 20 -21.540 -7.717 -11.308 1.00 22.54 H new ATOM 0 HG13 ILE A 20 -21.344 -7.288 -9.620 1.00 22.54 H new ATOM 0 HG21 ILE A 20 -20.983 -10.388 -11.729 1.00 72.32 H new ATOM 0 HG22 ILE A 20 -22.294 -11.227 -10.866 1.00 72.32 H new ATOM 0 HG23 ILE A 20 -22.650 -9.773 -11.828 1.00 72.32 H new ATOM 0 HD11 ILE A 20 -19.231 -7.063 -10.832 1.00 42.12 H new ATOM 0 HD12 ILE A 20 -19.110 -8.339 -9.598 1.00 42.12 H new ATOM 0 HD13 ILE A 20 -19.309 -8.775 -11.312 1.00 42.12 H new ATOM 368 N LYS A 21 -23.009 -11.197 -7.821 1.00 65.40 N ATOM 369 CA LYS A 21 -23.484 -12.509 -7.396 1.00 44.22 C ATOM 370 C LYS A 21 -24.984 -12.482 -7.123 1.00 51.33 C ATOM 371 O LYS A 21 -25.777 -12.993 -7.913 1.00 54.31 O ATOM 372 CB LYS A 21 -22.734 -12.964 -6.142 1.00 15.54 C ATOM 373 CG LYS A 21 -21.487 -13.777 -6.440 1.00 30.35 C ATOM 374 CD LYS A 21 -20.967 -14.476 -5.195 1.00 24.13 C ATOM 375 CE LYS A 21 -19.716 -13.798 -4.657 1.00 21.24 C ATOM 376 NZ LYS A 21 -19.114 -14.560 -3.528 1.00 20.33 N ATOM 0 H LYS A 21 -22.225 -10.837 -7.277 1.00 65.40 H new ATOM 0 HA LYS A 21 -23.292 -13.216 -8.203 1.00 44.22 H new ATOM 0 HB2 LYS A 21 -22.455 -12.087 -5.558 1.00 15.54 H new ATOM 0 HB3 LYS A 21 -23.406 -13.559 -5.523 1.00 15.54 H new ATOM 0 HG2 LYS A 21 -21.709 -14.518 -7.208 1.00 30.35 H new ATOM 0 HG3 LYS A 21 -20.713 -13.123 -6.842 1.00 30.35 H new ATOM 0 HD2 LYS A 21 -21.741 -14.477 -4.427 1.00 24.13 H new ATOM 0 HD3 LYS A 21 -20.746 -15.518 -5.427 1.00 24.13 H new ATOM 0 HE2 LYS A 21 -18.984 -13.698 -5.458 1.00 21.24 H new ATOM 0 HE3 LYS A 21 -19.964 -12.790 -4.324 1.00 21.24 H new ATOM 0 HZ1 LYS A 21 -18.264 -14.065 -3.190 1.00 20.33 H new ATOM 0 HZ2 LYS A 21 -19.803 -14.634 -2.753 1.00 20.33 H new ATOM 0 HZ3 LYS A 21 -18.854 -15.513 -3.852 1.00 20.33 H new ATOM 421 N ALA A 25 -28.946 -9.091 -1.334 1.00 61.51 N ATOM 422 CA ALA A 25 -28.328 -9.653 -0.140 1.00 24.33 C ATOM 423 C ALA A 25 -27.262 -8.716 0.419 1.00 32.44 C ATOM 424 O ALA A 25 -27.253 -8.411 1.612 1.00 75.10 O ATOM 425 CB ALA A 25 -27.725 -11.016 -0.448 1.00 75.13 C ATOM 0 HA ALA A 25 -29.103 -9.774 0.617 1.00 24.33 H new ATOM 0 HB1 ALA A 25 -27.267 -11.423 0.453 1.00 75.13 H new ATOM 0 HB2 ALA A 25 -28.508 -11.691 -0.794 1.00 75.13 H new ATOM 0 HB3 ALA A 25 -26.967 -10.912 -1.225 1.00 75.13 H new ATOM 431 N VAL A 26 -26.364 -8.263 -0.450 1.00 20.54 N ATOM 432 CA VAL A 26 -25.294 -7.361 -0.042 1.00 41.25 C ATOM 433 C VAL A 26 -25.847 -6.160 0.717 1.00 61.11 C ATOM 434 O VAL A 26 -25.324 -5.781 1.765 1.00 72.05 O ATOM 435 CB VAL A 26 -24.489 -6.860 -1.257 1.00 35.11 C ATOM 436 CG1 VAL A 26 -23.386 -5.912 -0.813 1.00 20.24 C ATOM 437 CG2 VAL A 26 -23.914 -8.034 -2.035 1.00 11.11 C ATOM 0 H VAL A 26 -26.356 -8.506 -1.441 1.00 20.54 H new ATOM 0 HA VAL A 26 -24.634 -7.929 0.614 1.00 41.25 H new ATOM 0 HB VAL A 26 -25.162 -6.312 -1.916 1.00 35.11 H new ATOM 0 HG11 VAL A 26 -22.829 -5.569 -1.685 1.00 20.24 H new ATOM 0 HG12 VAL A 26 -23.826 -5.055 -0.303 1.00 20.24 H new ATOM 0 HG13 VAL A 26 -22.712 -6.432 -0.133 1.00 20.24 H new ATOM 0 HG21 VAL A 26 -23.349 -7.662 -2.890 1.00 11.11 H new ATOM 0 HG22 VAL A 26 -23.255 -8.612 -1.387 1.00 11.11 H new ATOM 0 HG23 VAL A 26 -24.726 -8.670 -2.386 1.00 11.11 H new ATOM 447 N ALA A 27 -26.908 -5.566 0.181 1.00 11.24 N ATOM 448 CA ALA A 27 -27.534 -4.409 0.810 1.00 72.21 C ATOM 449 C ALA A 27 -28.194 -4.792 2.130 1.00 3.05 C ATOM 450 O ALA A 27 -27.927 -4.186 3.168 1.00 3.40 O ATOM 451 CB ALA A 27 -28.555 -3.786 -0.131 1.00 3.54 C ATOM 0 H ALA A 27 -27.352 -5.866 -0.687 1.00 11.24 H new ATOM 0 HA ALA A 27 -26.756 -3.676 1.022 1.00 72.21 H new ATOM 0 HB1 ALA A 27 -29.015 -2.923 0.351 1.00 3.54 H new ATOM 0 HB2 ALA A 27 -28.058 -3.468 -1.048 1.00 3.54 H new ATOM 0 HB3 ALA A 27 -29.324 -4.520 -0.371 1.00 3.54 H new ATOM 457 N VAL A 28 -29.057 -5.802 2.085 1.00 52.42 N ATOM 458 CA VAL A 28 -29.755 -6.265 3.278 1.00 22.50 C ATOM 459 C VAL A 28 -28.772 -6.593 4.397 1.00 72.45 C ATOM 460 O VAL A 28 -29.027 -6.305 5.566 1.00 41.21 O ATOM 461 CB VAL A 28 -30.610 -7.511 2.979 1.00 32.15 C ATOM 462 CG1 VAL A 28 -31.342 -7.969 4.232 1.00 73.03 C ATOM 463 CG2 VAL A 28 -31.591 -7.226 1.853 1.00 54.54 C ATOM 0 H VAL A 28 -29.289 -6.315 1.235 1.00 52.42 H new ATOM 0 HA VAL A 28 -30.408 -5.453 3.598 1.00 22.50 H new ATOM 0 HB VAL A 28 -29.949 -8.316 2.658 1.00 32.15 H new ATOM 0 HG11 VAL A 28 -31.941 -8.850 4.002 1.00 73.03 H new ATOM 0 HG12 VAL A 28 -30.617 -8.216 5.007 1.00 73.03 H new ATOM 0 HG13 VAL A 28 -31.993 -7.170 4.585 1.00 73.03 H new ATOM 0 HG21 VAL A 28 -32.187 -8.117 1.655 1.00 54.54 H new ATOM 0 HG22 VAL A 28 -32.249 -6.407 2.142 1.00 54.54 H new ATOM 0 HG23 VAL A 28 -31.042 -6.950 0.953 1.00 54.54 H new ATOM 473 N VAL A 29 -27.647 -7.198 4.030 1.00 62.43 N ATOM 474 CA VAL A 29 -26.624 -7.565 5.002 1.00 43.42 C ATOM 475 C VAL A 29 -25.833 -6.342 5.454 1.00 65.41 C ATOM 476 O VAL A 29 -25.754 -6.046 6.645 1.00 32.44 O ATOM 477 CB VAL A 29 -25.649 -8.609 4.425 1.00 54.32 C ATOM 478 CG1 VAL A 29 -24.574 -8.955 5.443 1.00 63.42 C ATOM 479 CG2 VAL A 29 -26.403 -9.856 3.988 1.00 40.34 C ATOM 0 H VAL A 29 -27.421 -7.444 3.066 1.00 62.43 H new ATOM 0 HA VAL A 29 -27.141 -7.997 5.858 1.00 43.42 H new ATOM 0 HB VAL A 29 -25.161 -8.181 3.549 1.00 54.32 H new ATOM 0 HG11 VAL A 29 -23.895 -9.694 5.018 1.00 63.42 H new ATOM 0 HG12 VAL A 29 -24.016 -8.056 5.703 1.00 63.42 H new ATOM 0 HG13 VAL A 29 -25.040 -9.364 6.339 1.00 63.42 H new ATOM 0 HG21 VAL A 29 -25.699 -10.583 3.583 1.00 40.34 H new ATOM 0 HG22 VAL A 29 -26.919 -10.289 4.845 1.00 40.34 H new ATOM 0 HG23 VAL A 29 -27.132 -9.591 3.222 1.00 40.34 H new ATOM 489 N GLY A 30 -25.247 -5.635 4.493 1.00 43.53 N ATOM 490 CA GLY A 30 -24.469 -4.452 4.812 1.00 50.52 C ATOM 491 C GLY A 30 -25.246 -3.456 5.650 1.00 3.22 C ATOM 492 O GLY A 30 -24.773 -3.016 6.698 1.00 73.10 O ATOM 0 H GLY A 30 -25.297 -5.860 3.499 1.00 43.53 H new ATOM 0 HA2 GLY A 30 -23.567 -4.748 5.348 1.00 50.52 H new ATOM 0 HA3 GLY A 30 -24.148 -3.972 3.888 1.00 50.52 H new ATOM 496 N GLN A 31 -26.439 -3.099 5.187 1.00 13.34 N ATOM 497 CA GLN A 31 -27.281 -2.146 5.902 1.00 74.34 C ATOM 498 C GLN A 31 -27.488 -2.581 7.349 1.00 40.12 C ATOM 499 O GLN A 31 -27.057 -1.900 8.279 1.00 30.20 O ATOM 500 CB GLN A 31 -28.634 -2.004 5.201 1.00 1.14 C ATOM 501 CG GLN A 31 -29.393 -0.747 5.594 1.00 10.13 C ATOM 502 CD GLN A 31 -30.544 -0.442 4.655 1.00 25.43 C ATOM 503 OE1 GLN A 31 -30.606 0.634 4.060 1.00 61.42 O ATOM 504 NE2 GLN A 31 -31.463 -1.391 4.518 1.00 45.05 N ATOM 0 H GLN A 31 -26.845 -3.454 4.321 1.00 13.34 H new ATOM 0 HA GLN A 31 -26.776 -1.180 5.901 1.00 74.34 H new ATOM 0 HB2 GLN A 31 -28.477 -2.001 4.122 1.00 1.14 H new ATOM 0 HB3 GLN A 31 -29.247 -2.876 5.432 1.00 1.14 H new ATOM 0 HG2 GLN A 31 -29.777 -0.861 6.608 1.00 10.13 H new ATOM 0 HG3 GLN A 31 -28.706 0.099 5.607 1.00 10.13 H new ATOM 0 HE21 GLN A 31 -31.371 -2.268 5.031 1.00 45.05 H new ATOM 0 HE22 GLN A 31 -32.261 -1.243 3.900 1.00 45.05 H new ATOM 513 N ALA A 32 -28.150 -3.719 7.531 1.00 14.40 N ATOM 514 CA ALA A 32 -28.413 -4.245 8.865 1.00 44.32 C ATOM 515 C ALA A 32 -27.131 -4.319 9.687 1.00 23.53 C ATOM 516 O ALA A 32 -27.064 -3.797 10.799 1.00 12.33 O ATOM 517 CB ALA A 32 -29.064 -5.617 8.772 1.00 5.24 C ATOM 0 H ALA A 32 -28.514 -4.294 6.771 1.00 14.40 H new ATOM 0 HA ALA A 32 -29.098 -3.564 9.370 1.00 44.32 H new ATOM 0 HB1 ALA A 32 -29.255 -5.998 9.775 1.00 5.24 H new ATOM 0 HB2 ALA A 32 -30.006 -5.537 8.229 1.00 5.24 H new ATOM 0 HB3 ALA A 32 -28.398 -6.301 8.245 1.00 5.24 H new ATOM 523 N ALA A 33 -26.115 -4.973 9.133 1.00 30.53 N ATOM 524 CA ALA A 33 -24.835 -5.115 9.815 1.00 23.34 C ATOM 525 C ALA A 33 -24.307 -3.762 10.279 1.00 0.04 C ATOM 526 O ALA A 33 -23.866 -3.613 11.420 1.00 62.05 O ATOM 527 CB ALA A 33 -23.823 -5.794 8.904 1.00 73.13 C ATOM 0 H ALA A 33 -26.154 -5.413 8.214 1.00 30.53 H new ATOM 0 HA ALA A 33 -24.989 -5.738 10.696 1.00 23.34 H new ATOM 0 HB1 ALA A 33 -22.872 -5.893 9.427 1.00 73.13 H new ATOM 0 HB2 ALA A 33 -24.189 -6.782 8.626 1.00 73.13 H new ATOM 0 HB3 ALA A 33 -23.682 -5.194 8.005 1.00 73.13 H new ATOM 533 N THR A 34 -24.354 -2.776 9.388 1.00 31.44 N ATOM 534 CA THR A 34 -23.879 -1.436 9.706 1.00 50.31 C ATOM 535 C THR A 34 -24.755 -0.779 10.766 1.00 11.34 C ATOM 536 O THR A 34 -24.256 -0.105 11.668 1.00 32.10 O ATOM 537 CB THR A 34 -23.849 -0.539 8.454 1.00 60.13 C ATOM 538 OG1 THR A 34 -22.996 -1.116 7.458 1.00 13.05 O ATOM 539 CG2 THR A 34 -23.359 0.859 8.801 1.00 63.44 C ATOM 0 H THR A 34 -24.716 -2.881 8.440 1.00 31.44 H new ATOM 0 HA THR A 34 -22.865 -1.544 10.092 1.00 50.31 H new ATOM 0 HB THR A 34 -24.864 -0.464 8.063 1.00 60.13 H new ATOM 0 HG1 THR A 34 -23.479 -1.825 6.984 1.00 13.05 H new ATOM 0 HG21 THR A 34 -23.346 1.474 7.901 1.00 63.44 H new ATOM 0 HG22 THR A 34 -24.027 1.306 9.537 1.00 63.44 H new ATOM 0 HG23 THR A 34 -22.352 0.800 9.214 1.00 63.44 H new ATOM 547 N VAL A 35 -26.064 -0.979 10.653 1.00 33.54 N ATOM 548 CA VAL A 35 -27.010 -0.408 11.604 1.00 13.22 C ATOM 549 C VAL A 35 -26.824 -1.009 12.993 1.00 14.50 C ATOM 550 O VAL A 35 -26.915 -0.308 14.001 1.00 32.35 O ATOM 551 CB VAL A 35 -28.465 -0.631 11.151 1.00 14.41 C ATOM 552 CG1 VAL A 35 -29.436 -0.049 12.167 1.00 13.13 C ATOM 553 CG2 VAL A 35 -28.693 -0.023 9.775 1.00 34.12 C ATOM 0 H VAL A 35 -26.494 -1.533 9.912 1.00 33.54 H new ATOM 0 HA VAL A 35 -26.810 0.663 11.645 1.00 13.22 H new ATOM 0 HB VAL A 35 -28.646 -1.704 11.084 1.00 14.41 H new ATOM 0 HG11 VAL A 35 -30.459 -0.216 11.830 1.00 13.13 H new ATOM 0 HG12 VAL A 35 -29.288 -0.535 13.131 1.00 13.13 H new ATOM 0 HG13 VAL A 35 -29.258 1.022 12.269 1.00 13.13 H new ATOM 0 HG21 VAL A 35 -29.726 -0.190 9.470 1.00 34.12 H new ATOM 0 HG22 VAL A 35 -28.494 1.048 9.813 1.00 34.12 H new ATOM 0 HG23 VAL A 35 -28.022 -0.491 9.055 1.00 34.12 H new ATOM 563 N VAL A 36 -26.563 -2.311 13.038 1.00 20.13 N ATOM 564 CA VAL A 36 -26.362 -3.007 14.304 1.00 73.14 C ATOM 565 C VAL A 36 -24.979 -2.720 14.875 1.00 25.03 C ATOM 566 O VAL A 36 -24.846 -2.269 16.013 1.00 4.02 O ATOM 567 CB VAL A 36 -26.533 -4.529 14.140 1.00 24.12 C ATOM 568 CG1 VAL A 36 -26.373 -5.231 15.480 1.00 65.41 C ATOM 569 CG2 VAL A 36 -27.884 -4.850 13.519 1.00 44.02 C ATOM 0 H VAL A 36 -26.486 -2.906 12.213 1.00 20.13 H new ATOM 0 HA VAL A 36 -27.120 -2.636 14.994 1.00 73.14 H new ATOM 0 HB VAL A 36 -25.755 -4.894 13.470 1.00 24.12 H new ATOM 0 HG11 VAL A 36 -26.497 -6.305 15.345 1.00 65.41 H new ATOM 0 HG12 VAL A 36 -25.380 -5.028 15.881 1.00 65.41 H new ATOM 0 HG13 VAL A 36 -27.127 -4.863 16.176 1.00 65.41 H new ATOM 0 HG21 VAL A 36 -27.987 -5.930 13.411 1.00 44.02 H new ATOM 0 HG22 VAL A 36 -28.679 -4.472 14.162 1.00 44.02 H new ATOM 0 HG23 VAL A 36 -27.955 -4.379 12.539 1.00 44.02 H new ATOM 579 N LYS A 37 -23.949 -2.984 14.078 1.00 22.01 N ATOM 580 CA LYS A 37 -22.573 -2.753 14.503 1.00 51.15 C ATOM 581 C LYS A 37 -22.179 -1.293 14.300 1.00 72.31 C ATOM 582 O LYS A 37 -22.038 -0.539 15.263 1.00 55.34 O ATOM 583 CB LYS A 37 -21.618 -3.662 13.726 1.00 74.42 C ATOM 584 CG LYS A 37 -20.210 -3.691 14.293 1.00 65.03 C ATOM 585 CD LYS A 37 -19.410 -4.859 13.740 1.00 2.12 C ATOM 586 CE LYS A 37 -17.949 -4.488 13.538 1.00 3.10 C ATOM 587 NZ LYS A 37 -17.084 -5.030 14.622 1.00 3.34 N ATOM 0 H LYS A 37 -24.041 -3.358 13.134 1.00 22.01 H new ATOM 0 HA LYS A 37 -22.503 -2.986 15.565 1.00 51.15 H new ATOM 0 HB2 LYS A 37 -22.019 -4.676 13.720 1.00 74.42 H new ATOM 0 HB3 LYS A 37 -21.576 -3.329 12.689 1.00 74.42 H new ATOM 0 HG2 LYS A 37 -19.702 -2.756 14.056 1.00 65.03 H new ATOM 0 HG3 LYS A 37 -20.256 -3.762 15.380 1.00 65.03 H new ATOM 0 HD2 LYS A 37 -19.480 -5.705 14.423 1.00 2.12 H new ATOM 0 HD3 LYS A 37 -19.840 -5.179 12.791 1.00 2.12 H new ATOM 0 HE2 LYS A 37 -17.607 -4.869 12.576 1.00 3.10 H new ATOM 0 HE3 LYS A 37 -17.851 -3.403 13.504 1.00 3.10 H new ATOM 0 HZ1 LYS A 37 -16.096 -4.755 14.448 1.00 3.34 H new ATOM 0 HZ2 LYS A 37 -17.394 -4.646 15.538 1.00 3.34 H new ATOM 0 HZ3 LYS A 37 -17.157 -6.067 14.639 1.00 3.34 H new