USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 161 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.313 X(o=0.31,f=-0.048) USER MOD Single : A 9 CYS SG : rot 79:sc= 0.987 USER MOD Single : A 13 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0444) USER MOD Single : A 14 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LEU A 2 0.580 -1.310 -2.154 1.00 13.45 N ATOM 18 CA LEU A 2 0.806 -2.699 -2.538 1.00 54.41 C ATOM 19 C LEU A 2 0.261 -2.972 -3.936 1.00 41.15 C ATOM 20 O LEU A 2 0.922 -3.608 -4.757 1.00 4.24 O ATOM 21 CB LEU A 2 0.148 -3.641 -1.529 1.00 74.30 C ATOM 22 CG LEU A 2 0.863 -4.971 -1.287 1.00 74.15 C ATOM 23 CD1 LEU A 2 1.147 -5.672 -2.607 1.00 53.21 C ATOM 24 CD2 LEU A 2 2.152 -4.750 -0.511 1.00 3.24 C ATOM 0 HA LEU A 2 1.881 -2.878 -2.545 1.00 54.41 H new ATOM 0 HB2 LEU A 2 0.063 -3.118 -0.576 1.00 74.30 H new ATOM 0 HB3 LEU A 2 -0.866 -3.853 -1.868 1.00 74.30 H new ATOM 0 HG LEU A 2 0.210 -5.610 -0.693 1.00 74.15 H new ATOM 0 HD11 LEU A 2 1.656 -6.617 -2.415 1.00 53.21 H new ATOM 0 HD12 LEU A 2 0.208 -5.865 -3.126 1.00 53.21 H new ATOM 0 HD13 LEU A 2 1.781 -5.038 -3.227 1.00 53.21 H new ATOM 0 HD21 LEU A 2 2.647 -5.707 -0.348 1.00 3.24 H new ATOM 0 HD22 LEU A 2 2.810 -4.093 -1.079 1.00 3.24 H new ATOM 0 HD23 LEU A 2 1.923 -4.291 0.451 1.00 3.24 H new ATOM 36 N GLU A 3 -0.947 -2.485 -4.201 1.00 73.12 N ATOM 37 CA GLU A 3 -1.579 -2.676 -5.501 1.00 72.23 C ATOM 38 C GLU A 3 -0.677 -2.173 -6.624 1.00 64.12 C ATOM 39 O GLU A 3 -0.706 -2.692 -7.740 1.00 71.32 O ATOM 40 CB GLU A 3 -2.926 -1.951 -5.550 1.00 45.35 C ATOM 41 CG GLU A 3 -2.800 -0.446 -5.724 1.00 32.35 C ATOM 42 CD GLU A 3 -3.912 0.315 -5.029 1.00 10.44 C ATOM 43 OE1 GLU A 3 -4.941 -0.309 -4.694 1.00 44.42 O ATOM 44 OE2 GLU A 3 -3.753 1.536 -4.819 1.00 2.40 O ATOM 0 H GLU A 3 -1.507 -1.956 -3.533 1.00 73.12 H new ATOM 0 HA GLU A 3 -1.744 -3.744 -5.642 1.00 72.23 H new ATOM 0 HB2 GLU A 3 -3.517 -2.355 -6.372 1.00 45.35 H new ATOM 0 HB3 GLU A 3 -3.474 -2.158 -4.631 1.00 45.35 H new ATOM 0 HG2 GLU A 3 -1.838 -0.117 -5.330 1.00 32.35 H new ATOM 0 HG3 GLU A 3 -2.808 -0.205 -6.787 1.00 32.35 H new ATOM 51 N LYS A 4 0.125 -1.158 -6.321 1.00 2.12 N ATOM 52 CA LYS A 4 1.038 -0.583 -7.302 1.00 73.22 C ATOM 53 C LYS A 4 2.180 -1.546 -7.612 1.00 54.33 C ATOM 54 O LYS A 4 2.765 -1.501 -8.694 1.00 53.24 O ATOM 55 CB LYS A 4 1.600 0.744 -6.790 1.00 4.43 C ATOM 56 CG LYS A 4 2.246 1.590 -7.873 1.00 40.35 C ATOM 57 CD LYS A 4 1.214 2.407 -8.633 1.00 35.24 C ATOM 58 CE LYS A 4 0.866 3.690 -7.894 1.00 55.42 C ATOM 59 NZ LYS A 4 -0.318 4.369 -8.490 1.00 52.42 N ATOM 0 H LYS A 4 0.161 -0.716 -5.402 1.00 2.12 H new ATOM 0 HA LYS A 4 0.479 -0.403 -8.220 1.00 73.22 H new ATOM 0 HB2 LYS A 4 0.795 1.315 -6.327 1.00 4.43 H new ATOM 0 HB3 LYS A 4 2.336 0.541 -6.012 1.00 4.43 H new ATOM 0 HG2 LYS A 4 2.981 2.258 -7.424 1.00 40.35 H new ATOM 0 HG3 LYS A 4 2.784 0.945 -8.568 1.00 40.35 H new ATOM 0 HD2 LYS A 4 1.598 2.649 -9.624 1.00 35.24 H new ATOM 0 HD3 LYS A 4 0.312 1.813 -8.777 1.00 35.24 H new ATOM 0 HE2 LYS A 4 0.666 3.463 -6.847 1.00 55.42 H new ATOM 0 HE3 LYS A 4 1.721 4.365 -7.916 1.00 55.42 H new ATOM 0 HZ1 LYS A 4 -0.523 5.239 -7.959 1.00 52.42 H new ATOM 0 HZ2 LYS A 4 -0.118 4.608 -9.482 1.00 52.42 H new ATOM 0 HZ3 LYS A 4 -1.141 3.734 -8.446 1.00 52.42 H new ATOM 73 N TRP A 5 2.490 -2.415 -6.658 1.00 1.15 N ATOM 74 CA TRP A 5 3.562 -3.389 -6.830 1.00 75.33 C ATOM 75 C TRP A 5 3.036 -4.668 -7.473 1.00 31.32 C ATOM 76 O TRP A 5 3.777 -5.386 -8.145 1.00 52.31 O ATOM 77 CB TRP A 5 4.209 -3.710 -5.482 1.00 63.23 C ATOM 78 CG TRP A 5 4.582 -2.489 -4.697 1.00 21.30 C ATOM 79 CD1 TRP A 5 4.331 -2.257 -3.375 1.00 13.11 C ATOM 80 CD2 TRP A 5 5.271 -1.333 -5.185 1.00 64.55 C ATOM 81 NE1 TRP A 5 4.822 -1.026 -3.012 1.00 62.11 N ATOM 82 CE2 TRP A 5 5.405 -0.440 -4.105 1.00 32.14 C ATOM 83 CE3 TRP A 5 5.791 -0.967 -6.430 1.00 31.10 C ATOM 84 CZ2 TRP A 5 6.035 0.795 -4.233 1.00 55.04 C ATOM 85 CZ3 TRP A 5 6.415 0.259 -6.556 1.00 43.13 C ATOM 86 CH2 TRP A 5 6.534 1.128 -5.463 1.00 54.03 C ATOM 0 H TRP A 5 2.015 -2.466 -5.757 1.00 1.15 H new ATOM 0 HA TRP A 5 4.312 -2.954 -7.490 1.00 75.33 H new ATOM 0 HB2 TRP A 5 3.522 -4.316 -4.892 1.00 63.23 H new ATOM 0 HB3 TRP A 5 5.102 -4.312 -5.650 1.00 63.23 H new ATOM 0 HD1 TRP A 5 3.821 -2.941 -2.712 1.00 13.11 H new ATOM 0 HE1 TRP A 5 4.762 -0.615 -2.080 1.00 62.11 H new ATOM 0 HE3 TRP A 5 5.706 -1.631 -7.278 1.00 31.10 H new ATOM 0 HZ2 TRP A 5 6.127 1.466 -3.392 1.00 55.04 H new ATOM 0 HZ3 TRP A 5 6.818 0.553 -7.514 1.00 43.13 H new ATOM 0 HH2 TRP A 5 7.029 2.079 -5.594 1.00 54.03 H new ATOM 97 N ARG A 6 1.754 -4.948 -7.262 1.00 52.51 N ATOM 98 CA ARG A 6 1.130 -6.141 -7.821 1.00 21.24 C ATOM 99 C ARG A 6 0.649 -5.887 -9.246 1.00 40.22 C ATOM 100 O ARG A 6 0.418 -6.823 -10.010 1.00 21.00 O ATOM 101 CB ARG A 6 -0.044 -6.586 -6.946 1.00 50.53 C ATOM 102 CG ARG A 6 -0.255 -8.091 -6.929 1.00 2.33 C ATOM 103 CD ARG A 6 0.560 -8.754 -5.830 1.00 24.41 C ATOM 104 NE ARG A 6 -0.176 -8.828 -4.571 1.00 20.32 N ATOM 105 CZ ARG A 6 0.402 -9.033 -3.392 1.00 72.24 C ATOM 106 NH1 ARG A 6 1.717 -9.183 -3.312 1.00 73.32 N ATOM 107 NH2 ARG A 6 -0.336 -9.088 -2.291 1.00 1.21 N ATOM 0 H ARG A 6 1.127 -4.365 -6.708 1.00 52.51 H new ATOM 0 HA ARG A 6 1.878 -6.934 -7.845 1.00 21.24 H new ATOM 0 HB2 ARG A 6 0.122 -6.239 -5.926 1.00 50.53 H new ATOM 0 HB3 ARG A 6 -0.955 -6.104 -7.302 1.00 50.53 H new ATOM 0 HG2 ARG A 6 -1.313 -8.310 -6.782 1.00 2.33 H new ATOM 0 HG3 ARG A 6 0.026 -8.510 -7.895 1.00 2.33 H new ATOM 0 HD2 ARG A 6 0.842 -9.759 -6.144 1.00 24.41 H new ATOM 0 HD3 ARG A 6 1.484 -8.196 -5.677 1.00 24.41 H new ATOM 0 HE ARG A 6 -1.189 -8.716 -4.598 1.00 20.32 H new ATOM 0 HH11 ARG A 6 2.287 -9.141 -4.157 1.00 73.32 H new ATOM 0 HH12 ARG A 6 2.158 -9.340 -2.406 1.00 73.32 H new ATOM 0 HH21 ARG A 6 -1.348 -8.973 -2.349 1.00 1.21 H new ATOM 0 HH22 ARG A 6 0.108 -9.245 -1.386 1.00 1.21 H new ATOM 121 N ASN A 7 0.500 -4.613 -9.597 1.00 31.55 N ATOM 122 CA ASN A 7 0.045 -4.236 -10.930 1.00 2.22 C ATOM 123 C ASN A 7 1.230 -3.951 -11.848 1.00 73.43 C ATOM 124 O ASN A 7 1.102 -3.985 -13.073 1.00 62.40 O ATOM 125 CB ASN A 7 -0.862 -3.006 -10.853 1.00 4.13 C ATOM 126 CG ASN A 7 -2.323 -3.375 -10.681 1.00 5.45 C ATOM 127 OD1 ASN A 7 -2.904 -4.061 -11.521 1.00 32.23 O ATOM 128 ND2 ASN A 7 -2.923 -2.918 -9.587 1.00 62.34 N ATOM 0 H ASN A 7 0.688 -3.825 -8.977 1.00 31.55 H new ATOM 0 HA ASN A 7 -0.521 -5.071 -11.344 1.00 2.22 H new ATOM 0 HB2 ASN A 7 -0.548 -2.378 -10.019 1.00 4.13 H new ATOM 0 HB3 ASN A 7 -0.744 -2.414 -11.760 1.00 4.13 H new ATOM 0 HD21 ASN A 7 -3.905 -3.133 -9.417 1.00 62.34 H new ATOM 0 HD22 ASN A 7 -2.401 -2.352 -8.918 1.00 62.34 H new ATOM 135 N LEU A 8 2.382 -3.671 -11.249 1.00 72.51 N ATOM 136 CA LEU A 8 3.591 -3.382 -12.013 1.00 13.44 C ATOM 137 C LEU A 8 4.242 -4.668 -12.511 1.00 32.04 C ATOM 138 O LEU A 8 4.777 -4.716 -13.619 1.00 54.10 O ATOM 139 CB LEU A 8 4.582 -2.594 -11.155 1.00 44.41 C ATOM 140 CG LEU A 8 4.429 -1.072 -11.179 1.00 22.31 C ATOM 141 CD1 LEU A 8 5.170 -0.443 -10.009 1.00 54.01 C ATOM 142 CD2 LEU A 8 4.933 -0.506 -12.498 1.00 64.03 C ATOM 0 H LEU A 8 2.505 -3.638 -10.237 1.00 72.51 H new ATOM 0 HA LEU A 8 3.310 -2.782 -12.878 1.00 13.44 H new ATOM 0 HB2 LEU A 8 4.488 -2.932 -10.123 1.00 44.41 H new ATOM 0 HB3 LEU A 8 5.592 -2.843 -11.481 1.00 44.41 H new ATOM 0 HG LEU A 8 3.370 -0.831 -11.084 1.00 22.31 H new ATOM 0 HD11 LEU A 8 5.050 0.640 -10.042 1.00 54.01 H new ATOM 0 HD12 LEU A 8 4.763 -0.825 -9.073 1.00 54.01 H new ATOM 0 HD13 LEU A 8 6.229 -0.693 -10.072 1.00 54.01 H new ATOM 0 HD21 LEU A 8 4.816 0.578 -12.497 1.00 64.03 H new ATOM 0 HD22 LEU A 8 5.986 -0.758 -12.623 1.00 64.03 H new ATOM 0 HD23 LEU A 8 4.358 -0.932 -13.320 1.00 64.03 H new ATOM 154 N CYS A 9 4.191 -5.708 -11.686 1.00 73.31 N ATOM 155 CA CYS A 9 4.774 -6.996 -12.043 1.00 64.43 C ATOM 156 C CYS A 9 4.167 -7.528 -13.337 1.00 62.25 C ATOM 157 O CYS A 9 4.775 -8.342 -14.032 1.00 10.11 O ATOM 158 CB CYS A 9 4.564 -8.006 -10.914 1.00 75.11 C ATOM 159 SG CYS A 9 5.515 -7.650 -9.419 1.00 22.25 S ATOM 0 H CYS A 9 3.752 -5.684 -10.766 1.00 73.31 H new ATOM 0 HA CYS A 9 5.843 -6.852 -12.197 1.00 64.43 H new ATOM 0 HB2 CYS A 9 3.505 -8.035 -10.659 1.00 75.11 H new ATOM 0 HB3 CYS A 9 4.833 -8.999 -11.275 1.00 75.11 H new ATOM 0 HG CYS A 9 4.928 -6.705 -8.746 1.00 22.25 H new ATOM 165 N GLY A 10 2.962 -7.064 -13.655 1.00 4.51 N ATOM 166 CA GLY A 10 2.292 -7.505 -14.864 1.00 1.21 C ATOM 167 C GLY A 10 2.954 -6.975 -16.120 1.00 40.13 C ATOM 168 O GLY A 10 2.609 -7.379 -17.231 1.00 33.23 O ATOM 0 H GLY A 10 2.438 -6.390 -13.096 1.00 4.51 H new ATOM 0 HA2 GLY A 10 2.283 -8.595 -14.894 1.00 1.21 H new ATOM 0 HA3 GLY A 10 1.252 -7.178 -14.839 1.00 1.21 H new ATOM 172 N VAL A 11 3.908 -6.065 -15.946 1.00 71.53 N ATOM 173 CA VAL A 11 4.620 -5.479 -17.075 1.00 53.44 C ATOM 174 C VAL A 11 6.126 -5.659 -16.929 1.00 4.21 C ATOM 175 O VAL A 11 6.835 -5.874 -17.912 1.00 44.31 O ATOM 176 CB VAL A 11 4.305 -3.978 -17.218 1.00 52.43 C ATOM 177 CG1 VAL A 11 5.244 -3.328 -18.223 1.00 61.22 C ATOM 178 CG2 VAL A 11 2.853 -3.775 -17.625 1.00 0.42 C ATOM 0 H VAL A 11 4.205 -5.718 -15.034 1.00 71.53 H new ATOM 0 HA VAL A 11 4.280 -6.002 -17.969 1.00 53.44 H new ATOM 0 HB VAL A 11 4.458 -3.499 -16.251 1.00 52.43 H new ATOM 0 HG11 VAL A 11 5.006 -2.268 -18.310 1.00 61.22 H new ATOM 0 HG12 VAL A 11 6.274 -3.442 -17.885 1.00 61.22 H new ATOM 0 HG13 VAL A 11 5.126 -3.808 -19.195 1.00 61.22 H new ATOM 0 HG21 VAL A 11 2.648 -2.709 -17.721 1.00 0.42 H new ATOM 0 HG22 VAL A 11 2.671 -4.267 -18.580 1.00 0.42 H new ATOM 0 HG23 VAL A 11 2.199 -4.203 -16.865 1.00 0.42 H new ATOM 188 N VAL A 12 6.610 -5.570 -15.694 1.00 21.51 N ATOM 189 CA VAL A 12 8.033 -5.725 -15.417 1.00 63.44 C ATOM 190 C VAL A 12 8.483 -7.165 -15.643 1.00 4.53 C ATOM 191 O VAL A 12 9.679 -7.456 -15.667 1.00 21.52 O ATOM 192 CB VAL A 12 8.372 -5.313 -13.973 1.00 25.34 C ATOM 193 CG1 VAL A 12 9.879 -5.281 -13.766 1.00 42.12 C ATOM 194 CG2 VAL A 12 7.752 -3.964 -13.644 1.00 51.34 C ATOM 0 H VAL A 12 6.037 -5.391 -14.869 1.00 21.51 H new ATOM 0 HA VAL A 12 8.563 -5.069 -16.107 1.00 63.44 H new ATOM 0 HB VAL A 12 7.952 -6.055 -13.294 1.00 25.34 H new ATOM 0 HG11 VAL A 12 10.099 -4.988 -12.740 1.00 42.12 H new ATOM 0 HG12 VAL A 12 10.294 -6.271 -13.957 1.00 42.12 H new ATOM 0 HG13 VAL A 12 10.325 -4.562 -14.453 1.00 42.12 H new ATOM 0 HG21 VAL A 12 8.002 -3.689 -12.619 1.00 51.34 H new ATOM 0 HG22 VAL A 12 8.140 -3.209 -14.328 1.00 51.34 H new ATOM 0 HG23 VAL A 12 6.669 -4.026 -13.749 1.00 51.34 H new ATOM 204 N LYS A 13 7.517 -8.062 -15.808 1.00 2.31 N ATOM 205 CA LYS A 13 7.812 -9.472 -16.033 1.00 43.35 C ATOM 206 C LYS A 13 7.002 -10.016 -17.205 1.00 72.42 C ATOM 207 O LYS A 13 6.703 -11.208 -17.264 1.00 73.21 O ATOM 208 CB LYS A 13 7.514 -10.284 -14.772 1.00 31.54 C ATOM 209 CG LYS A 13 8.427 -9.953 -13.604 1.00 42.43 C ATOM 210 CD LYS A 13 8.594 -11.141 -12.672 1.00 2.43 C ATOM 211 CE LYS A 13 7.459 -11.221 -11.662 1.00 44.42 C ATOM 212 NZ LYS A 13 6.308 -12.009 -12.183 1.00 41.41 N ATOM 0 H LYS A 13 6.522 -7.837 -15.790 1.00 2.31 H new ATOM 0 HA LYS A 13 8.871 -9.563 -16.273 1.00 43.35 H new ATOM 0 HB2 LYS A 13 6.480 -10.110 -14.474 1.00 31.54 H new ATOM 0 HB3 LYS A 13 7.605 -11.345 -15.004 1.00 31.54 H new ATOM 0 HG2 LYS A 13 9.403 -9.644 -13.980 1.00 42.43 H new ATOM 0 HG3 LYS A 13 8.018 -9.109 -13.049 1.00 42.43 H new ATOM 0 HD2 LYS A 13 8.628 -12.061 -13.256 1.00 2.43 H new ATOM 0 HD3 LYS A 13 9.545 -11.061 -12.146 1.00 2.43 H new ATOM 0 HE2 LYS A 13 7.824 -11.676 -10.741 1.00 44.42 H new ATOM 0 HE3 LYS A 13 7.126 -10.214 -11.410 1.00 44.42 H new ATOM 0 HZ1 LYS A 13 5.427 -11.475 -12.037 1.00 41.41 H new ATOM 0 HZ2 LYS A 13 6.440 -12.187 -13.199 1.00 41.41 H new ATOM 0 HZ3 LYS A 13 6.251 -12.916 -11.678 1.00 41.41 H new ATOM 226 N ASN A 14 6.651 -9.136 -18.137 1.00 1.54 N ATOM 227 CA ASN A 14 5.876 -9.529 -19.308 1.00 31.14 C ATOM 228 C ASN A 14 6.645 -9.236 -20.593 1.00 13.15 C ATOM 229 O ASN A 14 6.314 -8.322 -21.349 1.00 32.25 O ATOM 230 CB ASN A 14 4.533 -8.797 -19.326 1.00 34.05 C ATOM 231 CG ASN A 14 3.442 -9.607 -20.000 1.00 11.41 C ATOM 232 OD1 ASN A 14 2.619 -10.235 -19.335 1.00 35.23 O ATOM 233 ND2 ASN A 14 3.432 -9.595 -21.328 1.00 10.12 N ATOM 0 H ASN A 14 6.891 -8.145 -18.104 1.00 1.54 H new ATOM 0 HA ASN A 14 5.696 -10.602 -19.250 1.00 31.14 H new ATOM 0 HB2 ASN A 14 4.233 -8.569 -18.303 1.00 34.05 H new ATOM 0 HB3 ASN A 14 4.648 -7.845 -19.844 1.00 34.05 H new ATOM 0 HD21 ASN A 14 2.722 -10.121 -21.837 1.00 10.12 H new ATOM 0 HD22 ASN A 14 4.134 -9.060 -21.838 1.00 10.12 H new ATOM 240 N PRO A 15 7.696 -10.029 -20.847 1.00 71.12 N ATOM 241 CA PRO A 15 8.533 -9.875 -22.041 1.00 31.22 C ATOM 242 C PRO A 15 7.800 -10.271 -23.318 1.00 30.31 C ATOM 243 O PRO A 15 8.327 -10.122 -24.420 1.00 61.45 O ATOM 244 CB PRO A 15 9.703 -10.827 -21.779 1.00 11.24 C ATOM 245 CG PRO A 15 9.156 -11.853 -20.847 1.00 55.52 C ATOM 246 CD PRO A 15 8.148 -11.138 -19.990 1.00 12.20 C ATOM 0 HA PRO A 15 8.835 -8.839 -22.196 1.00 31.22 H new ATOM 0 HB2 PRO A 15 10.058 -11.282 -22.704 1.00 11.24 H new ATOM 0 HB3 PRO A 15 10.549 -10.302 -21.337 1.00 11.24 H new ATOM 0 HG2 PRO A 15 8.691 -12.671 -21.397 1.00 55.52 H new ATOM 0 HG3 PRO A 15 9.948 -12.288 -20.237 1.00 55.52 H new ATOM 0 HD2 PRO A 15 7.322 -11.792 -19.711 1.00 12.20 H new ATOM 0 HD3 PRO A 15 8.594 -10.774 -19.064 1.00 12.20 H new ATOM 254 N LYS A 16 6.581 -10.776 -23.162 1.00 71.35 N ATOM 255 CA LYS A 16 5.774 -11.193 -24.303 1.00 15.30 C ATOM 256 C LYS A 16 5.381 -9.993 -25.159 1.00 12.42 C ATOM 257 O LYS A 16 5.502 -10.025 -26.383 1.00 70.54 O ATOM 258 CB LYS A 16 4.517 -11.924 -23.825 1.00 23.41 C ATOM 259 CG LYS A 16 4.757 -12.823 -22.624 1.00 71.00 C ATOM 260 CD LYS A 16 5.951 -13.738 -22.841 1.00 54.23 C ATOM 261 CE LYS A 16 5.631 -15.173 -22.451 1.00 4.23 C ATOM 262 NZ LYS A 16 5.923 -15.434 -21.014 1.00 63.41 N ATOM 0 H LYS A 16 6.130 -10.906 -22.256 1.00 71.35 H new ATOM 0 HA LYS A 16 6.373 -11.871 -24.911 1.00 15.30 H new ATOM 0 HB2 LYS A 16 3.753 -11.189 -23.571 1.00 23.41 H new ATOM 0 HB3 LYS A 16 4.122 -12.524 -24.645 1.00 23.41 H new ATOM 0 HG2 LYS A 16 4.923 -12.211 -21.738 1.00 71.00 H new ATOM 0 HG3 LYS A 16 3.867 -13.423 -22.434 1.00 71.00 H new ATOM 0 HD2 LYS A 16 6.252 -13.703 -23.888 1.00 54.23 H new ATOM 0 HD3 LYS A 16 6.797 -13.380 -22.254 1.00 54.23 H new ATOM 0 HE2 LYS A 16 4.579 -15.378 -22.651 1.00 4.23 H new ATOM 0 HE3 LYS A 16 6.213 -15.856 -23.070 1.00 4.23 H new ATOM 0 HZ1 LYS A 16 5.692 -16.422 -20.787 1.00 63.41 H new ATOM 0 HZ2 LYS A 16 6.932 -15.263 -20.828 1.00 63.41 H new ATOM 0 HZ3 LYS A 16 5.349 -14.800 -20.422 1.00 63.41 H new ATOM 276 N ARG A 17 4.912 -8.934 -24.506 1.00 32.21 N ATOM 277 CA ARG A 17 4.502 -7.724 -25.208 1.00 11.25 C ATOM 278 C ARG A 17 5.361 -6.535 -24.788 1.00 4.31 C ATOM 279 O ARG A 17 5.380 -5.502 -25.458 1.00 73.21 O ATOM 280 CB ARG A 17 3.027 -7.423 -24.932 1.00 24.41 C ATOM 281 CG ARG A 17 2.071 -8.191 -25.830 1.00 63.11 C ATOM 282 CD ARG A 17 1.812 -9.592 -25.299 1.00 61.41 C ATOM 283 NE ARG A 17 0.567 -10.153 -25.818 1.00 45.03 N ATOM 284 CZ ARG A 17 0.049 -11.303 -25.401 1.00 42.35 C ATOM 285 NH1 ARG A 17 0.664 -12.010 -24.464 1.00 5.11 N ATOM 286 NH2 ARG A 17 -1.088 -11.747 -25.922 1.00 44.04 N ATOM 0 H ARG A 17 4.807 -8.890 -23.492 1.00 32.21 H new ATOM 0 HA ARG A 17 4.638 -7.890 -26.277 1.00 11.25 H new ATOM 0 HB2 ARG A 17 2.805 -7.660 -23.892 1.00 24.41 H new ATOM 0 HB3 ARG A 17 2.853 -6.355 -25.059 1.00 24.41 H new ATOM 0 HG2 ARG A 17 1.128 -7.650 -25.907 1.00 63.11 H new ATOM 0 HG3 ARG A 17 2.486 -8.253 -26.836 1.00 63.11 H new ATOM 0 HD2 ARG A 17 2.644 -10.242 -25.571 1.00 61.41 H new ATOM 0 HD3 ARG A 17 1.771 -9.565 -24.210 1.00 61.41 H new ATOM 0 HE ARG A 17 0.068 -9.633 -26.540 1.00 45.03 H new ATOM 0 HH11 ARG A 17 1.538 -11.672 -24.061 1.00 5.11 H new ATOM 0 HH12 ARG A 17 0.264 -12.893 -24.146 1.00 5.11 H new ATOM 0 HH21 ARG A 17 -1.565 -11.205 -26.643 1.00 44.04 H new ATOM 0 HH22 ARG A 17 -1.485 -12.630 -25.601 1.00 44.04 H new ATOM 300 N ARG A 18 6.071 -6.688 -23.675 1.00 2.11 N ATOM 301 CA ARG A 18 6.931 -5.627 -23.165 1.00 11.40 C ATOM 302 C ARG A 18 8.388 -5.881 -23.539 1.00 43.44 C ATOM 303 O ARG A 18 8.689 -6.767 -24.339 1.00 44.02 O ATOM 304 CB ARG A 18 6.795 -5.517 -21.645 1.00 64.22 C ATOM 305 CG ARG A 18 5.361 -5.614 -21.153 1.00 75.21 C ATOM 306 CD ARG A 18 4.549 -4.394 -21.559 1.00 12.13 C ATOM 307 NE ARG A 18 5.251 -3.147 -21.265 1.00 71.44 N ATOM 308 CZ ARG A 18 4.911 -1.973 -21.785 1.00 2.24 C ATOM 309 NH1 ARG A 18 3.884 -1.885 -22.619 1.00 23.13 N ATOM 310 NH2 ARG A 18 5.599 -0.883 -21.469 1.00 50.24 N ATOM 0 H ARG A 18 6.068 -7.537 -23.109 1.00 2.11 H new ATOM 0 HA ARG A 18 6.616 -4.688 -23.620 1.00 11.40 H new ATOM 0 HB2 ARG A 18 7.384 -6.306 -21.178 1.00 64.22 H new ATOM 0 HB3 ARG A 18 7.219 -4.567 -21.319 1.00 64.22 H new ATOM 0 HG2 ARG A 18 4.896 -6.513 -21.558 1.00 75.21 H new ATOM 0 HG3 ARG A 18 5.353 -5.713 -20.067 1.00 75.21 H new ATOM 0 HD2 ARG A 18 4.329 -4.443 -22.625 1.00 12.13 H new ATOM 0 HD3 ARG A 18 3.593 -4.404 -21.035 1.00 12.13 H new ATOM 0 HE ARG A 18 6.045 -3.180 -20.626 1.00 71.44 H new ATOM 0 HH11 ARG A 18 3.352 -2.720 -22.863 1.00 23.13 H new ATOM 0 HH12 ARG A 18 3.626 -0.982 -23.016 1.00 23.13 H new ATOM 0 HH21 ARG A 18 6.389 -0.947 -20.827 1.00 50.24 H new ATOM 0 HH22 ARG A 18 5.338 0.019 -21.868 1.00 50.24 H new