USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=3 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+ 172:sc= 0 (180deg=-0.0551) 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+ -173:sc= -0.02 (180deg=-0.119) USER MOD Single : A 14 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.1) 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 74:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 0.578 -2.645 -0.923 1.00 32.34 N ATOM 50 CA LYS A 3 -0.482 -2.480 0.065 1.00 71.11 C ATOM 51 C LYS A 3 -1.752 -1.941 -0.585 1.00 74.24 C ATOM 52 O LYS A 3 -2.720 -2.677 -0.782 1.00 40.13 O ATOM 53 CB LYS A 3 -0.027 -1.535 1.179 1.00 25.32 C ATOM 54 CG LYS A 3 -1.095 -1.268 2.225 1.00 54.55 C ATOM 55 CD LYS A 3 -0.588 -1.556 3.627 1.00 0.14 C ATOM 56 CE LYS A 3 -1.709 -1.478 4.653 1.00 41.14 C ATOM 57 NZ LYS A 3 -2.626 -2.648 4.562 1.00 24.02 N ATOM 0 HA LYS A 3 -0.700 -3.458 0.493 1.00 71.11 H new ATOM 0 HB2 LYS A 3 0.850 -1.959 1.668 1.00 25.32 H new ATOM 0 HB3 LYS A 3 0.281 -0.588 0.737 1.00 25.32 H new ATOM 0 HG2 LYS A 3 -1.417 -0.229 2.160 1.00 54.55 H new ATOM 0 HG3 LYS A 3 -1.969 -1.886 2.019 1.00 54.55 H new ATOM 0 HD2 LYS A 3 -0.136 -2.548 3.655 1.00 0.14 H new ATOM 0 HD3 LYS A 3 0.194 -0.842 3.886 1.00 0.14 H new ATOM 0 HE2 LYS A 3 -1.282 -1.428 5.655 1.00 41.14 H new ATOM 0 HE3 LYS A 3 -2.276 -0.559 4.502 1.00 41.14 H new ATOM 0 HZ1 LYS A 3 -3.293 -2.629 5.360 1.00 24.02 H new ATOM 0 HZ2 LYS A 3 -3.155 -2.606 3.667 1.00 24.02 H new ATOM 0 HZ3 LYS A 3 -2.071 -3.527 4.596 1.00 24.02 H new ATOM 71 N ILE A 4 -1.742 -0.655 -0.918 1.00 5.35 N ATOM 72 CA ILE A 4 -2.892 -0.019 -1.548 1.00 21.41 C ATOM 73 C ILE A 4 -3.352 -0.805 -2.771 1.00 42.24 C ATOM 74 O ILE A 4 -4.549 -0.926 -3.030 1.00 73.34 O ATOM 75 CB ILE A 4 -2.575 1.427 -1.970 1.00 42.41 C ATOM 76 CG1 ILE A 4 -3.786 2.057 -2.661 1.00 41.22 C ATOM 77 CG2 ILE A 4 -1.360 1.458 -2.886 1.00 33.21 C ATOM 78 CD1 ILE A 4 -3.805 3.568 -2.589 1.00 2.00 C ATOM 0 H ILE A 4 -0.949 -0.032 -0.762 1.00 5.35 H new ATOM 0 HA ILE A 4 -3.691 -0.005 -0.806 1.00 21.41 H new ATOM 0 HB ILE A 4 -2.347 2.008 -1.077 1.00 42.41 H new ATOM 0 HG12 ILE A 4 -3.797 1.751 -3.707 1.00 41.22 H new ATOM 0 HG13 ILE A 4 -4.697 1.668 -2.206 1.00 41.22 H new ATOM 0 HG21 ILE A 4 -1.149 2.487 -3.176 1.00 33.21 H new ATOM 0 HG22 ILE A 4 -0.498 1.044 -2.362 1.00 33.21 H new ATOM 0 HG23 ILE A 4 -1.561 0.864 -3.778 1.00 33.21 H new ATOM 0 HD11 ILE A 4 -4.691 3.945 -3.099 1.00 2.00 H new ATOM 0 HD12 ILE A 4 -3.826 3.882 -1.546 1.00 2.00 H new ATOM 0 HD13 ILE A 4 -2.912 3.966 -3.070 1.00 2.00 H new ATOM 90 N PHE A 5 -2.392 -1.338 -3.520 1.00 73.32 N ATOM 91 CA PHE A 5 -2.698 -2.114 -4.717 1.00 14.43 C ATOM 92 C PHE A 5 -3.597 -3.300 -4.381 1.00 22.43 C ATOM 93 O PHE A 5 -4.769 -3.333 -4.756 1.00 10.32 O ATOM 94 CB PHE A 5 -1.408 -2.607 -5.375 1.00 0.43 C ATOM 95 CG PHE A 5 -1.030 -1.834 -6.606 1.00 72.44 C ATOM 96 CD1 PHE A 5 -1.848 -1.845 -7.725 1.00 20.31 C ATOM 97 CD2 PHE A 5 0.142 -1.097 -6.646 1.00 22.15 C ATOM 98 CE1 PHE A 5 -1.502 -1.136 -8.860 1.00 32.33 C ATOM 99 CE2 PHE A 5 0.493 -0.386 -7.777 1.00 50.35 C ATOM 100 CZ PHE A 5 -0.331 -0.405 -8.886 1.00 10.54 C ATOM 0 H PHE A 5 -1.396 -1.247 -3.320 1.00 73.32 H new ATOM 0 HA PHE A 5 -3.228 -1.465 -5.415 1.00 14.43 H new ATOM 0 HB2 PHE A 5 -0.594 -2.545 -4.652 1.00 0.43 H new ATOM 0 HB3 PHE A 5 -1.522 -3.659 -5.637 1.00 0.43 H new ATOM 0 HD1 PHE A 5 -2.766 -2.414 -7.710 1.00 20.31 H new ATOM 0 HD2 PHE A 5 0.790 -1.078 -5.782 1.00 22.15 H new ATOM 0 HE1 PHE A 5 -2.147 -1.154 -9.726 1.00 32.33 H new ATOM 0 HE2 PHE A 5 1.410 0.184 -7.794 1.00 50.35 H new ATOM 0 HZ PHE A 5 -0.060 0.151 -9.771 1.00 10.54 H new ATOM 110 N LYS A 6 -3.038 -4.275 -3.671 1.00 72.35 N ATOM 111 CA LYS A 6 -3.787 -5.465 -3.283 1.00 45.10 C ATOM 112 C LYS A 6 -5.032 -5.088 -2.487 1.00 73.34 C ATOM 113 O LYS A 6 -6.083 -5.715 -2.626 1.00 11.12 O ATOM 114 CB LYS A 6 -2.903 -6.401 -2.455 1.00 0.52 C ATOM 115 CG LYS A 6 -2.944 -7.846 -2.920 1.00 13.13 C ATOM 116 CD LYS A 6 -1.561 -8.350 -3.297 1.00 74.01 C ATOM 117 CE LYS A 6 -0.880 -9.040 -2.125 1.00 15.31 C ATOM 118 NZ LYS A 6 0.484 -8.496 -1.878 1.00 14.25 N ATOM 0 H LYS A 6 -2.069 -4.264 -3.353 1.00 72.35 H new ATOM 0 HA LYS A 6 -4.100 -5.980 -4.191 1.00 45.10 H new ATOM 0 HB2 LYS A 6 -1.874 -6.044 -2.495 1.00 0.52 H new ATOM 0 HB3 LYS A 6 -3.216 -6.355 -1.412 1.00 0.52 H new ATOM 0 HG2 LYS A 6 -3.357 -8.472 -2.129 1.00 13.13 H new ATOM 0 HG3 LYS A 6 -3.611 -7.934 -3.778 1.00 13.13 H new ATOM 0 HD2 LYS A 6 -1.641 -9.045 -4.133 1.00 74.01 H new ATOM 0 HD3 LYS A 6 -0.948 -7.515 -3.635 1.00 74.01 H new ATOM 0 HE2 LYS A 6 -1.488 -8.918 -1.228 1.00 15.31 H new ATOM 0 HE3 LYS A 6 -0.814 -10.110 -2.322 1.00 15.31 H new ATOM 0 HZ1 LYS A 6 0.915 -8.992 -1.072 1.00 14.25 H new ATOM 0 HZ2 LYS A 6 1.072 -8.635 -2.724 1.00 14.25 H new ATOM 0 HZ3 LYS A 6 0.419 -7.480 -1.665 1.00 14.25 H new ATOM 132 N LYS A 7 -4.909 -4.060 -1.655 1.00 24.21 N ATOM 133 CA LYS A 7 -6.025 -3.597 -0.839 1.00 23.43 C ATOM 134 C LYS A 7 -7.186 -3.140 -1.715 1.00 14.41 C ATOM 135 O LYS A 7 -8.255 -3.752 -1.714 1.00 40.42 O ATOM 136 CB LYS A 7 -5.577 -2.452 0.072 1.00 22.11 C ATOM 137 CG LYS A 7 -6.719 -1.791 0.824 1.00 1.21 C ATOM 138 CD LYS A 7 -6.214 -0.717 1.773 1.00 42.10 C ATOM 139 CE LYS A 7 -7.272 0.346 2.025 1.00 2.34 C ATOM 140 NZ LYS A 7 -7.978 0.130 3.318 1.00 33.13 N ATOM 0 H LYS A 7 -4.046 -3.531 -1.528 1.00 24.21 H new ATOM 0 HA LYS A 7 -6.364 -4.431 -0.224 1.00 23.43 H new ATOM 0 HB2 LYS A 7 -4.852 -2.833 0.791 1.00 22.11 H new ATOM 0 HB3 LYS A 7 -5.065 -1.700 -0.528 1.00 22.11 H new ATOM 0 HG2 LYS A 7 -7.417 -1.350 0.113 1.00 1.21 H new ATOM 0 HG3 LYS A 7 -7.270 -2.545 1.386 1.00 1.21 H new ATOM 0 HD2 LYS A 7 -5.923 -1.174 2.719 1.00 42.10 H new ATOM 0 HD3 LYS A 7 -5.321 -0.252 1.355 1.00 42.10 H new ATOM 0 HE2 LYS A 7 -6.804 1.331 2.027 1.00 2.34 H new ATOM 0 HE3 LYS A 7 -7.996 0.338 1.210 1.00 2.34 H new ATOM 0 HZ1 LYS A 7 -8.691 0.875 3.453 1.00 33.13 H new ATOM 0 HZ2 LYS A 7 -8.446 -0.799 3.307 1.00 33.13 H new ATOM 0 HZ3 LYS A 7 -7.291 0.163 4.098 1.00 33.13 H new ATOM 154 N ILE A 8 -6.970 -2.062 -2.461 1.00 44.03 N ATOM 155 CA ILE A 8 -7.998 -1.525 -3.344 1.00 11.04 C ATOM 156 C ILE A 8 -8.453 -2.569 -4.358 1.00 25.33 C ATOM 157 O ILE A 8 -9.643 -2.692 -4.645 1.00 23.41 O ATOM 158 CB ILE A 8 -7.499 -0.278 -4.097 1.00 3.23 C ATOM 159 CG1 ILE A 8 -7.074 0.807 -3.105 1.00 52.53 C ATOM 160 CG2 ILE A 8 -8.579 0.244 -5.032 1.00 14.55 C ATOM 161 CD1 ILE A 8 -8.214 1.335 -2.262 1.00 22.53 C ATOM 0 H ILE A 8 -6.092 -1.543 -2.472 1.00 44.03 H new ATOM 0 HA ILE A 8 -8.841 -1.245 -2.712 1.00 11.04 H new ATOM 0 HB ILE A 8 -6.632 -0.556 -4.696 1.00 3.23 H new ATOM 0 HG12 ILE A 8 -6.303 0.405 -2.448 1.00 52.53 H new ATOM 0 HG13 ILE A 8 -6.625 1.635 -3.654 1.00 52.53 H new ATOM 0 HG21 ILE A 8 -8.211 1.126 -5.557 1.00 14.55 H new ATOM 0 HG22 ILE A 8 -8.837 -0.528 -5.757 1.00 14.55 H new ATOM 0 HG23 ILE A 8 -9.464 0.509 -4.454 1.00 14.55 H new ATOM 0 HD11 ILE A 8 -7.840 2.100 -1.582 1.00 22.53 H new ATOM 0 HD12 ILE A 8 -8.976 1.767 -2.910 1.00 22.53 H new ATOM 0 HD13 ILE A 8 -8.649 0.519 -1.685 1.00 22.53 H new ATOM 173 N GLU A 9 -7.496 -3.320 -4.895 1.00 30.10 N ATOM 174 CA GLU A 9 -7.799 -4.355 -5.876 1.00 70.15 C ATOM 175 C GLU A 9 -8.730 -5.409 -5.285 1.00 74.54 C ATOM 176 O GLU A 9 -9.763 -5.740 -5.869 1.00 62.31 O ATOM 177 CB GLU A 9 -6.510 -5.016 -6.368 1.00 44.13 C ATOM 178 CG GLU A 9 -6.740 -6.104 -7.403 1.00 62.14 C ATOM 179 CD GLU A 9 -6.392 -7.486 -6.884 1.00 53.25 C ATOM 180 OE1 GLU A 9 -6.868 -7.844 -5.787 1.00 13.54 O ATOM 181 OE2 GLU A 9 -5.645 -8.209 -7.575 1.00 62.13 O ATOM 0 H GLU A 9 -6.506 -3.231 -4.667 1.00 30.10 H new ATOM 0 HA GLU A 9 -8.302 -3.883 -6.720 1.00 70.15 H new ATOM 0 HB2 GLU A 9 -5.860 -4.252 -6.795 1.00 44.13 H new ATOM 0 HB3 GLU A 9 -5.982 -5.443 -5.515 1.00 44.13 H new ATOM 0 HG2 GLU A 9 -7.785 -6.089 -7.714 1.00 62.14 H new ATOM 0 HG3 GLU A 9 -6.141 -5.891 -8.288 1.00 62.14 H new ATOM 188 N LYS A 10 -8.358 -5.935 -4.123 1.00 40.41 N ATOM 189 CA LYS A 10 -9.158 -6.951 -3.451 1.00 33.04 C ATOM 190 C LYS A 10 -10.497 -6.377 -2.997 1.00 61.41 C ATOM 191 O LYS A 10 -11.557 -6.879 -3.370 1.00 73.44 O ATOM 192 CB LYS A 10 -8.399 -7.514 -2.247 1.00 63.03 C ATOM 193 CG LYS A 10 -9.192 -8.536 -1.451 1.00 0.51 C ATOM 194 CD LYS A 10 -8.501 -9.889 -1.435 1.00 53.13 C ATOM 195 CE LYS A 10 -7.589 -10.035 -0.227 1.00 62.12 C ATOM 196 NZ LYS A 10 -6.413 -9.124 -0.306 1.00 74.25 N ATOM 0 H LYS A 10 -7.506 -5.674 -3.627 1.00 40.41 H new ATOM 0 HA LYS A 10 -9.349 -7.755 -4.161 1.00 33.04 H new ATOM 0 HB2 LYS A 10 -7.474 -7.975 -2.594 1.00 63.03 H new ATOM 0 HB3 LYS A 10 -8.118 -6.692 -1.589 1.00 63.03 H new ATOM 0 HG2 LYS A 10 -9.322 -8.181 -0.429 1.00 0.51 H new ATOM 0 HG3 LYS A 10 -10.188 -8.640 -1.881 1.00 0.51 H new ATOM 0 HD2 LYS A 10 -9.250 -10.681 -1.425 1.00 53.13 H new ATOM 0 HD3 LYS A 10 -7.919 -10.012 -2.348 1.00 53.13 H new ATOM 0 HE2 LYS A 10 -8.153 -9.822 0.681 1.00 62.12 H new ATOM 0 HE3 LYS A 10 -7.245 -11.067 -0.154 1.00 62.12 H new ATOM 0 HZ1 LYS A 10 -5.757 -9.336 0.472 1.00 74.25 H new ATOM 0 HZ2 LYS A 10 -5.928 -9.262 -1.216 1.00 74.25 H new ATOM 0 HZ3 LYS A 10 -6.733 -8.137 -0.230 1.00 74.25 H new ATOM 210 N VAL A 11 -10.441 -5.322 -2.191 1.00 2.01 N ATOM 211 CA VAL A 11 -11.649 -4.678 -1.689 1.00 21.42 C ATOM 212 C VAL A 11 -12.605 -4.340 -2.827 1.00 32.51 C ATOM 213 O VAL A 11 -13.802 -4.614 -2.748 1.00 61.53 O ATOM 214 CB VAL A 11 -11.317 -3.390 -0.912 1.00 33.41 C ATOM 215 CG1 VAL A 11 -12.591 -2.718 -0.424 1.00 33.13 C ATOM 216 CG2 VAL A 11 -10.386 -3.695 0.252 1.00 60.44 C ATOM 0 H VAL A 11 -9.572 -4.895 -1.871 1.00 2.01 H new ATOM 0 HA VAL A 11 -12.129 -5.387 -1.014 1.00 21.42 H new ATOM 0 HB VAL A 11 -10.806 -2.702 -1.585 1.00 33.41 H new ATOM 0 HG11 VAL A 11 -12.337 -1.810 0.123 1.00 33.13 H new ATOM 0 HG12 VAL A 11 -13.218 -2.464 -1.278 1.00 33.13 H new ATOM 0 HG13 VAL A 11 -13.132 -3.398 0.234 1.00 33.13 H new ATOM 0 HG21 VAL A 11 -10.162 -2.774 0.790 1.00 60.44 H new ATOM 0 HG22 VAL A 11 -10.868 -4.402 0.928 1.00 60.44 H new ATOM 0 HG23 VAL A 11 -9.460 -4.128 -0.126 1.00 60.44 H new ATOM 226 N GLY A 12 -12.068 -3.743 -3.886 1.00 50.05 N ATOM 227 CA GLY A 12 -12.888 -3.377 -5.027 1.00 22.42 C ATOM 228 C GLY A 12 -13.610 -4.567 -5.627 1.00 34.23 C ATOM 229 O GLY A 12 -14.759 -4.453 -6.054 1.00 34.32 O ATOM 0 H GLY A 12 -11.080 -3.506 -3.975 1.00 50.05 H new ATOM 0 HA2 GLY A 12 -13.619 -2.629 -4.720 1.00 22.42 H new ATOM 0 HA3 GLY A 12 -12.260 -2.915 -5.789 1.00 22.42 H new ATOM 233 N ARG A 13 -12.936 -5.712 -5.661 1.00 3.33 N ATOM 234 CA ARG A 13 -13.520 -6.927 -6.216 1.00 2.34 C ATOM 235 C ARG A 13 -14.496 -7.561 -5.229 1.00 1.52 C ATOM 236 O ARG A 13 -15.531 -8.096 -5.622 1.00 70.41 O ATOM 237 CB ARG A 13 -12.421 -7.928 -6.576 1.00 43.23 C ATOM 238 CG ARG A 13 -12.145 -8.018 -8.068 1.00 61.13 C ATOM 239 CD ARG A 13 -13.041 -9.047 -8.739 1.00 73.12 C ATOM 240 NE ARG A 13 -12.765 -9.165 -10.168 1.00 62.13 N ATOM 241 CZ ARG A 13 -13.157 -10.195 -10.910 1.00 53.43 C ATOM 242 NH1 ARG A 13 -13.840 -11.190 -10.361 1.00 52.42 N ATOM 243 NH2 ARG A 13 -12.867 -10.230 -12.205 1.00 14.13 N ATOM 0 H ARG A 13 -11.985 -5.824 -5.311 1.00 3.33 H new ATOM 0 HA ARG A 13 -14.067 -6.657 -7.119 1.00 2.34 H new ATOM 0 HB2 ARG A 13 -11.502 -7.647 -6.061 1.00 43.23 H new ATOM 0 HB3 ARG A 13 -12.704 -8.914 -6.207 1.00 43.23 H new ATOM 0 HG2 ARG A 13 -12.302 -7.042 -8.528 1.00 61.13 H new ATOM 0 HG3 ARG A 13 -11.100 -8.283 -8.231 1.00 61.13 H new ATOM 0 HD2 ARG A 13 -12.900 -10.017 -8.261 1.00 73.12 H new ATOM 0 HD3 ARG A 13 -14.085 -8.769 -8.593 1.00 73.12 H new ATOM 0 HE ARG A 13 -12.243 -8.415 -10.621 1.00 62.13 H new ATOM 0 HH11 ARG A 13 -14.066 -11.166 -9.367 1.00 52.42 H new ATOM 0 HH12 ARG A 13 -14.140 -11.980 -10.933 1.00 52.42 H new ATOM 0 HH21 ARG A 13 -12.343 -9.466 -12.631 1.00 14.13 H new ATOM 0 HH22 ARG A 13 -13.168 -11.021 -12.774 1.00 14.13 H new ATOM 257 N ASN A 14 -14.158 -7.495 -3.945 1.00 64.21 N ATOM 258 CA ASN A 14 -15.004 -8.064 -2.902 1.00 4.51 C ATOM 259 C ASN A 14 -16.419 -7.499 -2.981 1.00 43.03 C ATOM 260 O ASN A 14 -17.389 -8.244 -3.123 1.00 42.40 O ATOM 261 CB ASN A 14 -14.406 -7.781 -1.522 1.00 15.02 C ATOM 262 CG ASN A 14 -15.223 -8.396 -0.402 1.00 22.44 C ATOM 263 OD1 ASN A 14 -16.009 -9.317 -0.625 1.00 22.10 O ATOM 264 ND2 ASN A 14 -15.040 -7.889 0.812 1.00 45.54 N ATOM 0 H ASN A 14 -13.305 -7.053 -3.602 1.00 64.21 H new ATOM 0 HA ASN A 14 -15.053 -9.142 -3.056 1.00 4.51 H new ATOM 0 HB2 ASN A 14 -13.389 -8.171 -1.483 1.00 15.02 H new ATOM 0 HB3 ASN A 14 -14.340 -6.703 -1.371 1.00 15.02 H new ATOM 0 HD21 ASN A 14 -15.561 -8.263 1.605 1.00 45.54 H new ATOM 0 HD22 ASN A 14 -14.378 -7.126 0.951 1.00 45.54 H new ATOM 271 N VAL A 15 -16.529 -6.177 -2.890 1.00 22.44 N ATOM 272 CA VAL A 15 -17.825 -5.512 -2.953 1.00 24.12 C ATOM 273 C VAL A 15 -18.612 -5.959 -4.179 1.00 55.32 C ATOM 274 O VAL A 15 -19.702 -6.520 -4.059 1.00 44.04 O ATOM 275 CB VAL A 15 -17.668 -3.980 -2.987 1.00 21.22 C ATOM 276 CG1 VAL A 15 -19.028 -3.302 -2.920 1.00 60.54 C ATOM 277 CG2 VAL A 15 -16.773 -3.511 -1.849 1.00 72.33 C ATOM 0 H VAL A 15 -15.736 -5.546 -2.772 1.00 22.44 H new ATOM 0 HA VAL A 15 -18.370 -5.794 -2.052 1.00 24.12 H new ATOM 0 HB VAL A 15 -17.196 -3.701 -3.929 1.00 21.22 H new ATOM 0 HG11 VAL A 15 -18.897 -2.220 -2.945 1.00 60.54 H new ATOM 0 HG12 VAL A 15 -19.633 -3.614 -3.772 1.00 60.54 H new ATOM 0 HG13 VAL A 15 -19.531 -3.585 -1.995 1.00 60.54 H new ATOM 0 HG21 VAL A 15 -16.673 -2.426 -1.888 1.00 72.33 H new ATOM 0 HG22 VAL A 15 -17.215 -3.800 -0.896 1.00 72.33 H new ATOM 0 HG23 VAL A 15 -15.789 -3.970 -1.947 1.00 72.33 H new ATOM 287 N ARG A 16 -18.054 -5.706 -5.359 1.00 33.05 N ATOM 288 CA ARG A 16 -18.705 -6.081 -6.608 1.00 31.50 C ATOM 289 C ARG A 16 -19.114 -7.551 -6.588 1.00 22.53 C ATOM 290 O ARG A 16 -20.285 -7.883 -6.770 1.00 14.12 O ATOM 291 CB ARG A 16 -17.774 -5.816 -7.792 1.00 71.25 C ATOM 292 CG ARG A 16 -18.042 -4.495 -8.494 1.00 53.20 C ATOM 293 CD ARG A 16 -17.215 -3.368 -7.895 1.00 32.10 C ATOM 294 NE ARG A 16 -15.899 -3.264 -8.519 1.00 1.11 N ATOM 295 CZ ARG A 16 -15.132 -2.182 -8.441 1.00 12.00 C ATOM 296 NH1 ARG A 16 -15.548 -1.118 -7.769 1.00 14.51 N ATOM 297 NH2 ARG A 16 -13.946 -2.164 -9.036 1.00 12.53 N ATOM 0 H ARG A 16 -17.153 -5.243 -5.476 1.00 33.05 H new ATOM 0 HA ARG A 16 -19.603 -5.473 -6.717 1.00 31.50 H new ATOM 0 HB2 ARG A 16 -16.742 -5.829 -7.442 1.00 71.25 H new ATOM 0 HB3 ARG A 16 -17.876 -6.628 -8.512 1.00 71.25 H new ATOM 0 HG2 ARG A 16 -17.812 -4.592 -9.555 1.00 53.20 H new ATOM 0 HG3 ARG A 16 -19.101 -4.250 -8.419 1.00 53.20 H new ATOM 0 HD2 ARG A 16 -17.748 -2.425 -8.014 1.00 32.10 H new ATOM 0 HD3 ARG A 16 -17.096 -3.535 -6.824 1.00 32.10 H new ATOM 0 HE ARG A 16 -15.549 -4.066 -9.043 1.00 1.11 H new ATOM 0 HH11 ARG A 16 -16.459 -1.129 -7.310 1.00 14.51 H new ATOM 0 HH12 ARG A 16 -14.957 -0.289 -7.711 1.00 14.51 H new ATOM 0 HH21 ARG A 16 -13.623 -2.981 -9.554 1.00 12.53 H new ATOM 0 HH22 ARG A 16 -13.358 -1.333 -8.976 1.00 12.53 H new ATOM 311 N ASP A 17 -18.140 -8.428 -6.366 1.00 13.33 N ATOM 312 CA ASP A 17 -18.398 -9.862 -6.321 1.00 73.31 C ATOM 313 C ASP A 17 -19.541 -10.179 -5.362 1.00 31.34 C ATOM 314 O ASP A 17 -20.399 -11.010 -5.655 1.00 73.53 O ATOM 315 CB ASP A 17 -17.137 -10.616 -5.898 1.00 24.11 C ATOM 316 CG ASP A 17 -17.305 -12.120 -5.984 1.00 23.43 C ATOM 317 OD1 ASP A 17 -18.099 -12.582 -6.831 1.00 5.34 O ATOM 318 OD2 ASP A 17 -16.642 -12.836 -5.205 1.00 21.44 O ATOM 0 H ASP A 17 -17.165 -8.170 -6.214 1.00 13.33 H new ATOM 0 HA ASP A 17 -18.687 -10.185 -7.321 1.00 73.31 H new ATOM 0 HB2 ASP A 17 -16.304 -10.310 -6.531 1.00 24.11 H new ATOM 0 HB3 ASP A 17 -16.878 -10.340 -4.876 1.00 24.11 H new ATOM 323 N GLY A 18 -19.545 -9.511 -4.212 1.00 22.10 N ATOM 324 CA GLY A 18 -20.586 -9.737 -3.226 1.00 43.53 C ATOM 325 C GLY A 18 -21.939 -9.233 -3.687 1.00 12.10 C ATOM 326 O GLY A 18 -22.958 -9.893 -3.479 1.00 62.04 O ATOM 0 H GLY A 18 -18.846 -8.818 -3.946 1.00 22.10 H new ATOM 0 HA2 GLY A 18 -20.653 -10.803 -3.010 1.00 43.53 H new ATOM 0 HA3 GLY A 18 -20.314 -9.240 -2.295 1.00 43.53 H new ATOM 330 N ILE A 19 -21.951 -8.061 -4.312 1.00 51.51 N ATOM 331 CA ILE A 19 -23.190 -7.469 -4.802 1.00 61.33 C ATOM 332 C ILE A 19 -23.760 -8.273 -5.966 1.00 21.31 C ATOM 333 O ILE A 19 -24.975 -8.434 -6.086 1.00 42.12 O ATOM 334 CB ILE A 19 -22.978 -6.012 -5.255 1.00 21.43 C ATOM 335 CG1 ILE A 19 -22.465 -5.163 -4.090 1.00 20.32 C ATOM 336 CG2 ILE A 19 -24.273 -5.436 -5.808 1.00 3.13 C ATOM 337 CD1 ILE A 19 -21.721 -3.921 -4.529 1.00 33.41 C ATOM 0 H ILE A 19 -21.117 -7.502 -4.491 1.00 51.51 H new ATOM 0 HA ILE A 19 -23.896 -7.484 -3.972 1.00 61.33 H new ATOM 0 HB ILE A 19 -22.230 -5.998 -6.047 1.00 21.43 H new ATOM 0 HG12 ILE A 19 -23.309 -4.870 -3.466 1.00 20.32 H new ATOM 0 HG13 ILE A 19 -21.806 -5.771 -3.470 1.00 20.32 H new ATOM 0 HG21 ILE A 19 -24.107 -4.406 -6.124 1.00 3.13 H new ATOM 0 HG22 ILE A 19 -24.600 -6.029 -6.662 1.00 3.13 H new ATOM 0 HG23 ILE A 19 -25.041 -5.459 -5.035 1.00 3.13 H new ATOM 0 HD11 ILE A 19 -21.386 -3.368 -3.651 1.00 33.41 H new ATOM 0 HD12 ILE A 19 -20.857 -4.207 -5.129 1.00 33.41 H new ATOM 0 HD13 ILE A 19 -22.383 -3.292 -5.124 1.00 33.41 H new ATOM 349 N ILE A 20 -22.875 -8.777 -6.819 1.00 61.52 N ATOM 350 CA ILE A 20 -23.290 -9.568 -7.972 1.00 10.44 C ATOM 351 C ILE A 20 -23.675 -10.984 -7.557 1.00 52.33 C ATOM 352 O ILE A 20 -24.710 -11.505 -7.974 1.00 64.12 O ATOM 353 CB ILE A 20 -22.178 -9.640 -9.034 1.00 62.34 C ATOM 354 CG1 ILE A 20 -21.816 -8.236 -9.523 1.00 31.05 C ATOM 355 CG2 ILE A 20 -22.615 -10.516 -10.199 1.00 41.34 C ATOM 356 CD1 ILE A 20 -22.946 -7.538 -10.246 1.00 14.01 C ATOM 0 H ILE A 20 -21.866 -8.652 -6.734 1.00 61.52 H new ATOM 0 HA ILE A 20 -24.159 -9.069 -8.401 1.00 10.44 H new ATOM 0 HB ILE A 20 -21.292 -10.085 -8.581 1.00 62.34 H new ATOM 0 HG12 ILE A 20 -21.512 -7.630 -8.669 1.00 31.05 H new ATOM 0 HG13 ILE A 20 -20.956 -8.303 -10.189 1.00 31.05 H new ATOM 0 HG21 ILE A 20 -21.818 -10.557 -10.942 1.00 41.34 H new ATOM 0 HG22 ILE A 20 -22.827 -11.522 -9.838 1.00 41.34 H new ATOM 0 HG23 ILE A 20 -23.513 -10.097 -10.653 1.00 41.34 H new ATOM 0 HD11 ILE A 20 -22.618 -6.548 -10.564 1.00 14.01 H new ATOM 0 HD12 ILE A 20 -23.235 -8.123 -11.119 1.00 14.01 H new ATOM 0 HD13 ILE A 20 -23.800 -7.439 -9.576 1.00 14.01 H new ATOM 368 N LYS A 21 -22.837 -11.601 -6.732 1.00 63.52 N ATOM 369 CA LYS A 21 -23.089 -12.957 -6.257 1.00 53.33 C ATOM 370 C LYS A 21 -24.490 -13.074 -5.666 1.00 13.45 C ATOM 371 O LYS A 21 -25.209 -14.036 -5.934 1.00 11.24 O ATOM 372 CB LYS A 21 -22.047 -13.355 -5.210 1.00 0.31 C ATOM 373 CG LYS A 21 -20.755 -13.884 -5.808 1.00 70.00 C ATOM 374 CD LYS A 21 -20.618 -15.383 -5.601 1.00 61.13 C ATOM 375 CE LYS A 21 -20.321 -15.721 -4.148 1.00 54.41 C ATOM 376 NZ LYS A 21 -19.418 -16.898 -4.025 1.00 43.33 N ATOM 0 H LYS A 21 -21.976 -11.184 -6.378 1.00 63.52 H new ATOM 0 HA LYS A 21 -23.015 -13.633 -7.109 1.00 53.33 H new ATOM 0 HB2 LYS A 21 -21.821 -12.490 -4.587 1.00 0.31 H new ATOM 0 HB3 LYS A 21 -22.473 -14.116 -4.556 1.00 0.31 H new ATOM 0 HG2 LYS A 21 -20.727 -13.659 -6.874 1.00 70.00 H new ATOM 0 HG3 LYS A 21 -19.906 -13.374 -5.352 1.00 70.00 H new ATOM 0 HD2 LYS A 21 -21.538 -15.879 -5.910 1.00 61.13 H new ATOM 0 HD3 LYS A 21 -19.819 -15.767 -6.235 1.00 61.13 H new ATOM 0 HE2 LYS A 21 -19.863 -14.860 -3.661 1.00 54.41 H new ATOM 0 HE3 LYS A 21 -21.255 -15.924 -3.624 1.00 54.41 H new ATOM 0 HZ1 LYS A 21 -19.240 -17.096 -3.020 1.00 43.33 H new ATOM 0 HZ2 LYS A 21 -19.865 -17.726 -4.467 1.00 43.33 H new ATOM 0 HZ3 LYS A 21 -18.517 -16.695 -4.503 1.00 43.33 H new ATOM 421 N ALA A 25 -28.353 -5.859 -2.589 1.00 30.02 N ATOM 422 CA ALA A 25 -27.405 -5.248 -1.666 1.00 25.54 C ATOM 423 C ALA A 25 -28.123 -4.614 -0.480 1.00 14.11 C ATOM 424 O ALA A 25 -27.620 -4.626 0.643 1.00 5.33 O ATOM 425 CB ALA A 25 -26.557 -4.212 -2.388 1.00 55.44 C ATOM 0 HA ALA A 25 -26.752 -6.033 -1.284 1.00 25.54 H new ATOM 0 HB1 ALA A 25 -25.854 -3.764 -1.686 1.00 55.44 H new ATOM 0 HB2 ALA A 25 -26.006 -4.692 -3.197 1.00 55.44 H new ATOM 0 HB3 ALA A 25 -27.203 -3.436 -2.799 1.00 55.44 H new ATOM 431 N VAL A 26 -29.304 -4.059 -0.737 1.00 62.32 N ATOM 432 CA VAL A 26 -30.092 -3.420 0.309 1.00 13.23 C ATOM 433 C VAL A 26 -30.299 -4.358 1.493 1.00 61.32 C ATOM 434 O VAL A 26 -29.815 -4.100 2.595 1.00 73.15 O ATOM 435 CB VAL A 26 -31.467 -2.969 -0.220 1.00 44.40 C ATOM 436 CG1 VAL A 26 -32.254 -2.262 0.873 1.00 41.54 C ATOM 437 CG2 VAL A 26 -31.300 -2.069 -1.436 1.00 22.35 C ATOM 0 H VAL A 26 -29.735 -4.040 -1.661 1.00 62.32 H new ATOM 0 HA VAL A 26 -29.531 -2.545 0.636 1.00 13.23 H new ATOM 0 HB VAL A 26 -32.028 -3.853 -0.524 1.00 44.40 H new ATOM 0 HG11 VAL A 26 -33.222 -1.951 0.481 1.00 41.54 H new ATOM 0 HG12 VAL A 26 -32.404 -2.942 1.711 1.00 41.54 H new ATOM 0 HG13 VAL A 26 -31.701 -1.386 1.211 1.00 41.54 H new ATOM 0 HG21 VAL A 26 -32.281 -1.759 -1.797 1.00 22.35 H new ATOM 0 HG22 VAL A 26 -30.720 -1.188 -1.160 1.00 22.35 H new ATOM 0 HG23 VAL A 26 -30.779 -2.614 -2.223 1.00 22.35 H new ATOM 447 N ALA A 27 -31.020 -5.449 1.257 1.00 73.20 N ATOM 448 CA ALA A 27 -31.289 -6.428 2.303 1.00 70.21 C ATOM 449 C ALA A 27 -29.995 -6.908 2.951 1.00 1.25 C ATOM 450 O ALA A 27 -29.903 -7.010 4.175 1.00 64.12 O ATOM 451 CB ALA A 27 -32.066 -7.607 1.735 1.00 23.14 C ATOM 0 H ALA A 27 -31.428 -5.677 0.351 1.00 73.20 H new ATOM 0 HA ALA A 27 -31.893 -5.945 3.072 1.00 70.21 H new ATOM 0 HB1 ALA A 27 -32.260 -8.330 2.527 1.00 23.14 H new ATOM 0 HB2 ALA A 27 -33.013 -7.255 1.325 1.00 23.14 H new ATOM 0 HB3 ALA A 27 -31.483 -8.081 0.946 1.00 23.14 H new ATOM 457 N VAL A 28 -28.997 -7.202 2.124 1.00 51.31 N ATOM 458 CA VAL A 28 -27.708 -7.670 2.617 1.00 24.51 C ATOM 459 C VAL A 28 -27.095 -6.670 3.591 1.00 32.20 C ATOM 460 O VAL A 28 -26.951 -6.954 4.780 1.00 13.44 O ATOM 461 CB VAL A 28 -26.720 -7.915 1.461 1.00 62.40 C ATOM 462 CG1 VAL A 28 -25.380 -8.398 1.996 1.00 11.52 C ATOM 463 CG2 VAL A 28 -27.298 -8.914 0.469 1.00 3.25 C ATOM 0 H VAL A 28 -29.057 -7.124 1.109 1.00 51.31 H new ATOM 0 HA VAL A 28 -27.891 -8.611 3.135 1.00 24.51 H new ATOM 0 HB VAL A 28 -26.557 -6.972 0.940 1.00 62.40 H new ATOM 0 HG11 VAL A 28 -24.695 -8.566 1.165 1.00 11.52 H new ATOM 0 HG12 VAL A 28 -24.962 -7.645 2.664 1.00 11.52 H new ATOM 0 HG13 VAL A 28 -25.521 -9.330 2.543 1.00 11.52 H new ATOM 0 HG21 VAL A 28 -26.587 -9.075 -0.341 1.00 3.25 H new ATOM 0 HG22 VAL A 28 -27.491 -9.859 0.976 1.00 3.25 H new ATOM 0 HG23 VAL A 28 -28.230 -8.524 0.061 1.00 3.25 H new ATOM 473 N VAL A 29 -26.736 -5.497 3.079 1.00 60.45 N ATOM 474 CA VAL A 29 -26.140 -4.453 3.903 1.00 31.01 C ATOM 475 C VAL A 29 -27.015 -4.141 5.112 1.00 22.43 C ATOM 476 O VAL A 29 -26.536 -4.104 6.245 1.00 71.51 O ATOM 477 CB VAL A 29 -25.918 -3.160 3.097 1.00 52.51 C ATOM 478 CG1 VAL A 29 -25.314 -2.077 3.979 1.00 75.31 C ATOM 479 CG2 VAL A 29 -25.033 -3.430 1.889 1.00 32.15 C ATOM 0 H VAL A 29 -26.848 -5.246 2.097 1.00 60.45 H new ATOM 0 HA VAL A 29 -25.176 -4.830 4.243 1.00 31.01 H new ATOM 0 HB VAL A 29 -26.885 -2.806 2.739 1.00 52.51 H new ATOM 0 HG11 VAL A 29 -25.164 -1.171 3.392 1.00 75.31 H new ATOM 0 HG12 VAL A 29 -25.989 -1.865 4.808 1.00 75.31 H new ATOM 0 HG13 VAL A 29 -24.355 -2.419 4.370 1.00 75.31 H new ATOM 0 HG21 VAL A 29 -24.887 -2.505 1.331 1.00 32.15 H new ATOM 0 HG22 VAL A 29 -24.067 -3.809 2.223 1.00 32.15 H new ATOM 0 HG23 VAL A 29 -25.510 -4.170 1.246 1.00 32.15 H new ATOM 489 N GLY A 30 -28.302 -3.918 4.863 1.00 23.02 N ATOM 490 CA GLY A 30 -29.224 -3.613 5.941 1.00 2.25 C ATOM 491 C GLY A 30 -29.218 -4.671 7.026 1.00 20.25 C ATOM 492 O GLY A 30 -28.940 -4.376 8.188 1.00 4.22 O ATOM 0 H GLY A 30 -28.722 -3.943 3.934 1.00 23.02 H new ATOM 0 HA2 GLY A 30 -28.962 -2.649 6.377 1.00 2.25 H new ATOM 0 HA3 GLY A 30 -30.232 -3.517 5.537 1.00 2.25 H new ATOM 496 N GLN A 31 -29.528 -5.907 6.647 1.00 3.13 N ATOM 497 CA GLN A 31 -29.559 -7.012 7.598 1.00 11.10 C ATOM 498 C GLN A 31 -28.250 -7.099 8.375 1.00 65.33 C ATOM 499 O GLN A 31 -28.239 -7.024 9.603 1.00 42.51 O ATOM 500 CB GLN A 31 -29.823 -8.331 6.870 1.00 33.23 C ATOM 501 CG GLN A 31 -30.145 -9.487 7.804 1.00 74.03 C ATOM 502 CD GLN A 31 -29.449 -10.772 7.403 1.00 61.52 C ATOM 503 OE1 GLN A 31 -30.085 -11.716 6.933 1.00 60.31 O ATOM 504 NE2 GLN A 31 -28.134 -10.816 7.587 1.00 75.15 N ATOM 0 H GLN A 31 -29.761 -6.168 5.689 1.00 3.13 H new ATOM 0 HA GLN A 31 -30.368 -6.827 8.305 1.00 11.10 H new ATOM 0 HB2 GLN A 31 -30.652 -8.194 6.176 1.00 33.23 H new ATOM 0 HB3 GLN A 31 -28.948 -8.589 6.274 1.00 33.23 H new ATOM 0 HG2 GLN A 31 -29.852 -9.221 8.820 1.00 74.03 H new ATOM 0 HG3 GLN A 31 -31.223 -9.650 7.816 1.00 74.03 H new ATOM 0 HE21 GLN A 31 -27.647 -10.010 7.980 1.00 75.15 H new ATOM 0 HE22 GLN A 31 -27.612 -11.655 7.336 1.00 75.15 H new ATOM 513 N ALA A 32 -27.147 -7.260 7.650 1.00 11.50 N ATOM 514 CA ALA A 32 -25.832 -7.356 8.271 1.00 1.41 C ATOM 515 C ALA A 32 -25.587 -6.188 9.221 1.00 63.11 C ATOM 516 O ALA A 32 -25.309 -6.385 10.403 1.00 32.54 O ATOM 517 CB ALA A 32 -24.747 -7.408 7.205 1.00 14.01 C ATOM 0 H ALA A 32 -27.139 -7.327 6.632 1.00 11.50 H new ATOM 0 HA ALA A 32 -25.799 -8.277 8.853 1.00 1.41 H new ATOM 0 HB1 ALA A 32 -23.770 -7.480 7.683 1.00 14.01 H new ATOM 0 HB2 ALA A 32 -24.904 -8.279 6.568 1.00 14.01 H new ATOM 0 HB3 ALA A 32 -24.789 -6.503 6.599 1.00 14.01 H new ATOM 523 N ALA A 33 -25.690 -4.972 8.695 1.00 14.23 N ATOM 524 CA ALA A 33 -25.481 -3.773 9.497 1.00 12.31 C ATOM 525 C ALA A 33 -26.357 -3.787 10.745 1.00 21.34 C ATOM 526 O ALA A 33 -25.900 -3.463 11.842 1.00 44.52 O ATOM 527 CB ALA A 33 -25.761 -2.528 8.668 1.00 11.01 C ATOM 0 H ALA A 33 -25.917 -4.791 7.717 1.00 14.23 H new ATOM 0 HA ALA A 33 -24.439 -3.757 9.817 1.00 12.31 H new ATOM 0 HB1 ALA A 33 -25.601 -1.640 9.280 1.00 11.01 H new ATOM 0 HB2 ALA A 33 -25.089 -2.504 7.810 1.00 11.01 H new ATOM 0 HB3 ALA A 33 -26.794 -2.547 8.320 1.00 11.01 H new ATOM 533 N THR A 34 -27.620 -4.165 10.573 1.00 63.45 N ATOM 534 CA THR A 34 -28.560 -4.220 11.685 1.00 72.35 C ATOM 535 C THR A 34 -28.142 -5.271 12.707 1.00 41.21 C ATOM 536 O THR A 34 -28.212 -5.040 13.914 1.00 14.50 O ATOM 537 CB THR A 34 -29.988 -4.534 11.198 1.00 3.40 C ATOM 538 OG1 THR A 34 -30.422 -3.529 10.274 1.00 21.41 O ATOM 539 CG2 THR A 34 -30.955 -4.604 12.370 1.00 74.43 C ATOM 0 H THR A 34 -28.015 -4.438 9.673 1.00 63.45 H new ATOM 0 HA THR A 34 -28.552 -3.237 12.155 1.00 72.35 H new ATOM 0 HB THR A 34 -29.974 -5.503 10.700 1.00 3.40 H new ATOM 0 HG1 THR A 34 -29.965 -3.654 9.416 1.00 21.41 H new ATOM 0 HG21 THR A 34 -31.957 -4.827 12.002 1.00 74.43 H new ATOM 0 HG22 THR A 34 -30.638 -5.389 13.057 1.00 74.43 H new ATOM 0 HG23 THR A 34 -30.964 -3.647 12.892 1.00 74.43 H new ATOM 547 N VAL A 35 -27.705 -6.427 12.216 1.00 14.43 N ATOM 548 CA VAL A 35 -27.274 -7.513 13.088 1.00 44.31 C ATOM 549 C VAL A 35 -25.988 -7.150 13.823 1.00 13.40 C ATOM 550 O VAL A 35 -25.815 -7.484 14.995 1.00 63.41 O ATOM 551 CB VAL A 35 -27.048 -8.813 12.294 1.00 33.44 C ATOM 552 CG1 VAL A 35 -26.576 -9.927 13.217 1.00 53.02 C ATOM 553 CG2 VAL A 35 -28.320 -9.218 11.564 1.00 64.15 C ATOM 0 H VAL A 35 -27.640 -6.635 11.220 1.00 14.43 H new ATOM 0 HA VAL A 35 -28.072 -7.672 13.814 1.00 44.31 H new ATOM 0 HB VAL A 35 -26.270 -8.635 11.551 1.00 33.44 H new ATOM 0 HG11 VAL A 35 -26.422 -10.838 12.639 1.00 53.02 H new ATOM 0 HG12 VAL A 35 -25.639 -9.635 13.691 1.00 53.02 H new ATOM 0 HG13 VAL A 35 -27.329 -10.108 13.984 1.00 53.02 H new ATOM 0 HG21 VAL A 35 -28.143 -10.139 11.008 1.00 64.15 H new ATOM 0 HG22 VAL A 35 -29.119 -9.379 12.288 1.00 64.15 H new ATOM 0 HG23 VAL A 35 -28.610 -8.427 10.873 1.00 64.15 H new ATOM 563 N VAL A 36 -25.089 -6.462 13.127 1.00 41.24 N ATOM 564 CA VAL A 36 -23.819 -6.051 13.713 1.00 21.03 C ATOM 565 C VAL A 36 -24.014 -4.904 14.698 1.00 10.04 C ATOM 566 O VAL A 36 -23.653 -5.009 15.871 1.00 72.22 O ATOM 567 CB VAL A 36 -22.814 -5.617 12.629 1.00 32.15 C ATOM 568 CG1 VAL A 36 -21.484 -5.231 13.258 1.00 21.40 C ATOM 569 CG2 VAL A 36 -22.627 -6.724 11.603 1.00 73.10 C ATOM 0 H VAL A 36 -25.217 -6.177 12.156 1.00 41.24 H new ATOM 0 HA VAL A 36 -23.420 -6.917 14.242 1.00 21.03 H new ATOM 0 HB VAL A 36 -23.214 -4.742 12.117 1.00 32.15 H new ATOM 0 HG11 VAL A 36 -20.787 -4.927 12.477 1.00 21.40 H new ATOM 0 HG12 VAL A 36 -21.636 -4.403 13.951 1.00 21.40 H new ATOM 0 HG13 VAL A 36 -21.075 -6.085 13.797 1.00 21.40 H new ATOM 0 HG21 VAL A 36 -21.914 -6.401 10.845 1.00 73.10 H new ATOM 0 HG22 VAL A 36 -22.249 -7.619 12.098 1.00 73.10 H new ATOM 0 HG23 VAL A 36 -23.583 -6.947 11.130 1.00 73.10 H new ATOM 579 N LYS A 37 -24.588 -3.808 14.215 1.00 51.50 N ATOM 580 CA LYS A 37 -24.834 -2.639 15.052 1.00 30.42 C ATOM 581 C LYS A 37 -25.656 -3.014 16.281 1.00 34.11 C ATOM 582 O LYS A 37 -25.229 -2.799 17.415 1.00 3.25 O ATOM 583 CB LYS A 37 -25.559 -1.556 14.251 1.00 13.32 C ATOM 584 CG LYS A 37 -25.809 -0.281 15.039 1.00 22.30 C ATOM 585 CD LYS A 37 -25.404 0.951 14.248 1.00 14.40 C ATOM 586 CE LYS A 37 -25.309 2.180 15.140 1.00 35.31 C ATOM 587 NZ LYS A 37 -23.969 2.823 15.057 1.00 11.21 N ATOM 0 H LYS A 37 -24.892 -3.704 13.247 1.00 51.50 H new ATOM 0 HA LYS A 37 -23.871 -2.252 15.385 1.00 30.42 H new ATOM 0 HB2 LYS A 37 -24.971 -1.316 13.365 1.00 13.32 H new ATOM 0 HB3 LYS A 37 -26.513 -1.951 13.903 1.00 13.32 H new ATOM 0 HG2 LYS A 37 -26.865 -0.215 15.301 1.00 22.30 H new ATOM 0 HG3 LYS A 37 -25.250 -0.314 15.974 1.00 22.30 H new ATOM 0 HD2 LYS A 37 -24.443 0.775 13.766 1.00 14.40 H new ATOM 0 HD3 LYS A 37 -26.130 1.131 13.455 1.00 14.40 H new ATOM 0 HE2 LYS A 37 -26.075 2.899 14.850 1.00 35.31 H new ATOM 0 HE3 LYS A 37 -25.512 1.896 16.173 1.00 35.31 H new ATOM 0 HZ1 LYS A 37 -23.945 3.656 15.679 1.00 11.21 H new ATOM 0 HZ2 LYS A 37 -23.240 2.145 15.357 1.00 11.21 H new ATOM 0 HZ3 LYS A 37 -23.785 3.117 14.077 1.00 11.21 H new