USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 130 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 Set 1.1: A 3 CYS SG : rot 177:sc= 0.731 USER MOD Set 1.2: A 6 CYS SG : rot 86:sc= 0.755! USER MOD Set 1.3: A 11 HIS : no HD1:sc= -2.66! K(o=-1!,f=-2.9) USER MOD Set 1.4: A 16 CYS SG : rot 137:sc= 0.132! USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= -0.0294 (180deg=-1.24!) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= -0.67 (180deg=-0.952) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0222 (180deg=-0.206) USER MOD Single : A 17 THR OG1 : rot -42:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 2 -3.797 -10.508 5.121 1.00 0.00 N ATOM 26 CA GLY A 2 -2.468 -10.265 4.540 1.00 0.00 C ATOM 27 C GLY A 2 -2.191 -8.778 4.260 1.00 0.00 C ATOM 28 O GLY A 2 -2.195 -7.989 5.212 1.00 0.00 O ATOM 0 HA2 GLY A 2 -1.706 -10.648 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.377 -10.826 3.610 1.00 0.00 H new ATOM 32 N CYS A 3 -1.959 -8.384 2.988 1.00 0.00 N ATOM 33 CA CYS A 3 -1.760 -6.958 2.629 1.00 0.00 C ATOM 34 C CYS A 3 -3.036 -6.140 2.940 1.00 0.00 C ATOM 35 O CYS A 3 -4.156 -6.665 2.925 1.00 0.00 O ATOM 36 CB CYS A 3 -1.343 -6.780 1.146 1.00 0.00 C ATOM 37 SG CYS A 3 -0.485 -5.196 0.802 1.00 0.00 S ATOM 0 H CYS A 3 -1.905 -9.026 2.197 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.940 -6.580 3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.690 -7.605 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.232 -6.845 0.518 1.00 0.00 H new ATOM 0 HG CYS A 3 -0.116 -5.164 -0.444 1.00 0.00 H new ATOM 42 N TRP A 4 -2.856 -4.846 3.195 1.00 0.00 N ATOM 43 CA TRP A 4 -3.950 -3.905 3.454 1.00 0.00 C ATOM 44 C TRP A 4 -4.834 -3.732 2.215 1.00 0.00 C ATOM 45 O TRP A 4 -6.039 -3.977 2.291 1.00 0.00 O ATOM 46 CB TRP A 4 -3.344 -2.576 3.918 1.00 0.00 C ATOM 47 CG TRP A 4 -4.099 -1.322 3.633 1.00 0.00 C ATOM 48 CD1 TRP A 4 -5.433 -1.103 3.715 1.00 0.00 C ATOM 49 CD2 TRP A 4 -3.518 -0.067 3.199 1.00 0.00 C ATOM 50 NE1 TRP A 4 -5.718 0.181 3.291 1.00 0.00 N ATOM 51 CE2 TRP A 4 -4.563 0.872 2.981 1.00 0.00 C ATOM 52 CE3 TRP A 4 -2.195 0.362 2.967 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -4.303 2.177 2.547 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -1.926 1.681 2.584 1.00 0.00 C ATOM 55 CH2 TRP A 4 -2.971 2.600 2.406 1.00 0.00 C ATOM 0 H TRP A 4 -1.933 -4.413 3.229 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.599 -4.294 4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -3.193 -2.637 4.996 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -2.358 -2.482 3.463 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.162 -1.822 4.059 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -6.659 0.568 3.217 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.379 -0.336 3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.117 2.851 2.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.905 1.994 2.424 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.752 3.629 2.161 1.00 0.00 H new ATOM 66 N LYS A 5 -4.237 -3.305 1.098 1.00 0.00 N ATOM 67 CA LYS A 5 -4.945 -2.920 -0.136 1.00 0.00 C ATOM 68 C LYS A 5 -4.741 -3.892 -1.300 1.00 0.00 C ATOM 69 O LYS A 5 -5.570 -3.912 -2.208 1.00 0.00 O ATOM 70 CB LYS A 5 -4.590 -1.460 -0.483 1.00 0.00 C ATOM 71 CG LYS A 5 -3.134 -1.238 -0.915 1.00 0.00 C ATOM 72 CD LYS A 5 -2.891 -1.399 -2.423 1.00 0.00 C ATOM 73 CE LYS A 5 -3.461 -0.236 -3.238 1.00 0.00 C ATOM 74 NZ LYS A 5 -2.804 -0.106 -4.557 1.00 0.00 N ATOM 0 H LYS A 5 -3.224 -3.214 1.021 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.017 -2.984 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.248 -1.121 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.796 -0.834 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.827 -0.236 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.497 -1.941 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.820 -1.477 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.342 -2.331 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.532 -0.384 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.338 0.692 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.272 0.787 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.152 -0.903 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.525 -0.110 -5.306 1.00 0.00 H new ATOM 88 N CYS A 6 -3.646 -4.660 -1.290 1.00 0.00 N ATOM 89 CA CYS A 6 -3.241 -5.520 -2.398 1.00 0.00 C ATOM 90 C CYS A 6 -4.030 -6.841 -2.427 1.00 0.00 C ATOM 91 O CYS A 6 -4.661 -7.195 -3.426 1.00 0.00 O ATOM 92 CB CYS A 6 -1.724 -5.744 -2.318 1.00 0.00 C ATOM 93 SG CYS A 6 -0.854 -4.155 -2.178 1.00 0.00 S ATOM 0 H CYS A 6 -3.008 -4.699 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.476 -5.026 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.488 -6.372 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.381 -6.276 -3.205 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.788 -3.805 -0.928 1.00 0.00 H new ATOM 98 N GLY A 7 -3.997 -7.532 -1.287 1.00 0.00 N ATOM 99 CA GLY A 7 -4.666 -8.799 -1.013 1.00 0.00 C ATOM 100 C GLY A 7 -3.793 -10.048 -1.120 1.00 0.00 C ATOM 101 O GLY A 7 -4.302 -11.094 -1.512 1.00 0.00 O ATOM 0 H GLY A 7 -3.468 -7.198 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.086 -8.757 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.503 -8.903 -1.704 1.00 0.00 H new ATOM 105 N LYS A 8 -2.485 -9.940 -0.836 1.00 0.00 N ATOM 106 CA LYS A 8 -1.493 -10.952 -1.251 1.00 0.00 C ATOM 107 C LYS A 8 -0.546 -11.493 -0.179 1.00 0.00 C ATOM 108 O LYS A 8 0.429 -12.152 -0.519 1.00 0.00 O ATOM 109 CB LYS A 8 -0.680 -10.410 -2.434 1.00 0.00 C ATOM 110 CG LYS A 8 -1.510 -9.813 -3.584 1.00 0.00 C ATOM 111 CD LYS A 8 -0.651 -9.479 -4.811 1.00 0.00 C ATOM 112 CE LYS A 8 0.089 -8.132 -4.794 1.00 0.00 C ATOM 113 NZ LYS A 8 0.836 -7.868 -3.543 1.00 0.00 N ATOM 0 H LYS A 8 -2.086 -9.158 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.097 -11.819 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.002 -9.644 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.066 -11.218 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.290 -10.519 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.010 -8.909 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.088 -10.271 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.293 -9.503 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.784 -8.101 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.634 -7.331 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.453 -7.041 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.165 -7.680 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.416 -8.698 -3.303 1.00 0.00 H new ATOM 127 N GLU A 9 -0.792 -11.215 1.101 1.00 0.00 N ATOM 128 CA GLU A 9 0.054 -11.715 2.211 1.00 0.00 C ATOM 129 C GLU A 9 1.568 -11.402 2.080 1.00 0.00 C ATOM 130 O GLU A 9 2.417 -12.178 2.535 1.00 0.00 O ATOM 131 CB GLU A 9 -0.200 -13.219 2.440 1.00 0.00 C ATOM 132 CG GLU A 9 -1.674 -13.598 2.616 1.00 0.00 C ATOM 133 CD GLU A 9 -1.845 -15.114 2.730 1.00 0.00 C ATOM 134 OE1 GLU A 9 -1.521 -15.693 3.786 1.00 0.00 O ATOM 135 OE2 GLU A 9 -2.298 -15.728 1.718 1.00 0.00 O ATOM 0 H GLU A 9 -1.577 -10.641 1.408 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.256 -11.154 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.206 -13.775 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.351 -13.536 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.072 -13.116 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.251 -13.227 1.769 1.00 0.00 H new ATOM 142 N GLY A 10 1.930 -10.297 1.419 1.00 0.00 N ATOM 143 CA GLY A 10 3.320 -9.968 1.078 1.00 0.00 C ATOM 144 C GLY A 10 4.046 -9.155 2.150 1.00 0.00 C ATOM 145 O GLY A 10 5.236 -9.342 2.404 1.00 0.00 O ATOM 0 H GLY A 10 1.259 -9.597 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.869 -10.893 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.332 -9.409 0.142 1.00 0.00 H new ATOM 149 N HIS A 11 3.298 -8.255 2.787 1.00 0.00 N ATOM 150 CA HIS A 11 3.739 -7.400 3.883 1.00 0.00 C ATOM 151 C HIS A 11 2.522 -6.757 4.568 1.00 0.00 C ATOM 152 O HIS A 11 1.376 -7.152 4.347 1.00 0.00 O ATOM 153 CB HIS A 11 4.697 -6.318 3.341 1.00 0.00 C ATOM 154 CG HIS A 11 4.206 -5.619 2.102 1.00 0.00 C ATOM 155 ND1 HIS A 11 4.913 -5.473 0.930 1.00 0.00 N ATOM 156 CD2 HIS A 11 3.020 -4.953 1.944 1.00 0.00 C ATOM 157 CE1 HIS A 11 4.159 -4.761 0.084 1.00 0.00 C ATOM 158 NE2 HIS A 11 2.964 -4.499 0.634 1.00 0.00 N ATOM 0 H HIS A 11 2.321 -8.096 2.539 1.00 0.00 H new ATOM 0 HA HIS A 11 4.271 -7.999 4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.865 -5.575 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 11 5.661 -6.778 3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 11 2.265 -4.807 2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.468 -4.443 -0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.168 -4.053 0.178 1.00 0.00 H new ATOM 166 N GLN A 12 2.779 -5.738 5.375 1.00 0.00 N ATOM 167 CA GLN A 12 1.804 -4.878 6.022 1.00 0.00 C ATOM 168 C GLN A 12 1.955 -3.434 5.553 1.00 0.00 C ATOM 169 O GLN A 12 2.849 -3.099 4.784 1.00 0.00 O ATOM 170 CB GLN A 12 1.992 -5.052 7.532 1.00 0.00 C ATOM 171 CG GLN A 12 0.685 -5.409 8.248 1.00 0.00 C ATOM 172 CD GLN A 12 0.953 -5.885 9.668 1.00 0.00 C ATOM 173 OE1 GLN A 12 1.483 -6.966 9.887 1.00 0.00 O ATOM 174 NE2 GLN A 12 0.620 -5.104 10.669 1.00 0.00 N ATOM 0 H GLN A 12 3.736 -5.475 5.609 1.00 0.00 H new ATOM 0 HA GLN A 12 0.783 -5.153 5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.729 -5.834 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.394 -4.131 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.029 -4.539 8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.163 -6.188 7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.178 -4.203 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.803 -5.398 11.628 1.00 0.00 H new ATOM 183 N MET A 13 1.068 -2.560 6.021 1.00 0.00 N ATOM 184 CA MET A 13 0.963 -1.159 5.601 1.00 0.00 C ATOM 185 C MET A 13 2.293 -0.412 5.620 1.00 0.00 C ATOM 186 O MET A 13 2.549 0.350 4.690 1.00 0.00 O ATOM 187 CB MET A 13 -0.035 -0.467 6.515 1.00 0.00 C ATOM 188 CG MET A 13 -1.446 -0.984 6.300 1.00 0.00 C ATOM 189 SD MET A 13 -2.608 -0.631 7.633 1.00 0.00 S ATOM 190 CE MET A 13 -2.871 -2.330 8.225 1.00 0.00 C ATOM 0 H MET A 13 0.377 -2.813 6.728 1.00 0.00 H new ATOM 0 HA MET A 13 0.632 -1.147 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.255 -0.622 7.554 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.010 0.608 6.334 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.836 -0.554 5.377 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.402 -2.063 6.155 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.571 -2.320 9.061 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.279 -2.938 7.417 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.921 -2.752 8.552 1.00 0.00 H new ATOM 200 N LYS A 14 3.132 -0.672 6.626 1.00 0.00 N ATOM 201 CA LYS A 14 4.468 -0.084 6.811 1.00 0.00 C ATOM 202 C LYS A 14 5.464 -0.417 5.697 1.00 0.00 C ATOM 203 O LYS A 14 6.478 0.269 5.563 1.00 0.00 O ATOM 204 CB LYS A 14 5.010 -0.524 8.177 1.00 0.00 C ATOM 205 CG LYS A 14 4.365 0.317 9.291 1.00 0.00 C ATOM 206 CD LYS A 14 4.457 -0.333 10.675 1.00 0.00 C ATOM 207 CE LYS A 14 3.097 -0.520 11.371 1.00 0.00 C ATOM 208 NZ LYS A 14 2.152 -1.336 10.576 1.00 0.00 N ATOM 0 H LYS A 14 2.891 -1.327 7.369 1.00 0.00 H new ATOM 0 HA LYS A 14 4.353 0.999 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.799 -1.581 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.094 -0.408 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.847 1.294 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.316 0.487 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.940 -1.305 10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.098 0.279 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.252 -0.994 12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.654 0.458 11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.400 -1.699 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.731 -0.749 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.660 -2.134 10.145 1.00 0.00 H new ATOM 222 N ASP A 15 5.161 -1.450 4.917 1.00 0.00 N ATOM 223 CA ASP A 15 5.890 -1.843 3.706 1.00 0.00 C ATOM 224 C ASP A 15 5.081 -1.649 2.400 1.00 0.00 C ATOM 225 O ASP A 15 5.684 -1.524 1.332 1.00 0.00 O ATOM 226 CB ASP A 15 6.323 -3.301 3.869 1.00 0.00 C ATOM 227 CG ASP A 15 7.823 -3.499 4.065 1.00 0.00 C ATOM 228 OD1 ASP A 15 8.488 -2.713 4.780 1.00 0.00 O ATOM 229 OD2 ASP A 15 8.335 -4.512 3.532 1.00 0.00 O ATOM 0 H ASP A 15 4.370 -2.063 5.115 1.00 0.00 H new ATOM 0 HA ASP A 15 6.754 -1.186 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.798 -3.729 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.008 -3.861 2.988 1.00 0.00 H new ATOM 234 N CYS A 16 3.744 -1.607 2.487 1.00 0.00 N ATOM 235 CA CYS A 16 2.821 -1.418 1.370 1.00 0.00 C ATOM 236 C CYS A 16 2.774 0.059 0.959 1.00 0.00 C ATOM 237 O CYS A 16 3.231 0.400 -0.124 1.00 0.00 O ATOM 238 CB CYS A 16 1.445 -1.991 1.763 1.00 0.00 C ATOM 239 SG CYS A 16 0.273 -2.179 0.389 1.00 0.00 S ATOM 0 H CYS A 16 3.260 -1.709 3.379 1.00 0.00 H new ATOM 0 HA CYS A 16 3.163 -1.960 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.593 -2.964 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.999 -1.341 2.515 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.337 -3.322 0.492 1.00 0.00 H new ATOM 244 N THR A 17 2.211 0.900 1.834 1.00 0.00 N ATOM 245 CA THR A 17 1.910 2.328 1.615 1.00 0.00 C ATOM 246 C THR A 17 1.368 2.630 0.206 1.00 0.00 C ATOM 247 O THR A 17 1.721 3.597 -0.453 1.00 0.00 O ATOM 248 CB THR A 17 3.022 3.260 2.127 1.00 0.00 C ATOM 249 OG1 THR A 17 2.624 4.592 1.961 1.00 0.00 O ATOM 250 CG2 THR A 17 4.376 3.034 1.472 1.00 0.00 C ATOM 0 H THR A 17 1.936 0.590 2.766 1.00 0.00 H new ATOM 0 HA THR A 17 1.062 2.573 2.255 1.00 0.00 H new ATOM 0 HB THR A 17 3.162 3.024 3.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.188 4.697 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.103 3.731 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.705 2.012 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.292 3.197 0.398 1.00 0.00 H new ATOM 258 N GLU A 18 0.469 1.780 -0.295 1.00 0.00 N ATOM 259 CA GLU A 18 -0.047 1.888 -1.679 1.00 0.00 C ATOM 260 C GLU A 18 -1.442 2.541 -1.839 1.00 0.00 C ATOM 261 O GLU A 18 -2.027 2.487 -2.928 1.00 0.00 O ATOM 262 CB GLU A 18 0.076 0.512 -2.338 1.00 0.00 C ATOM 263 CG GLU A 18 1.518 0.201 -2.752 1.00 0.00 C ATOM 264 CD GLU A 18 1.660 0.242 -4.271 1.00 0.00 C ATOM 265 OE1 GLU A 18 1.909 1.330 -4.845 1.00 0.00 O ATOM 266 OE2 GLU A 18 1.478 -0.812 -4.914 1.00 0.00 O ATOM 0 H GLU A 18 0.076 1.002 0.234 1.00 0.00 H new ATOM 0 HA GLU A 18 0.574 2.612 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.276 -0.254 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.570 0.471 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.196 0.923 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.805 -0.783 -2.381 1.00 0.00 H new ATOM 273 N ARG A 19 -1.923 3.238 -0.798 1.00 0.00 N ATOM 274 CA ARG A 19 -3.225 3.940 -0.694 1.00 0.00 C ATOM 275 C ARG A 19 -4.479 3.055 -0.788 1.00 0.00 C ATOM 276 O ARG A 19 -5.584 3.598 -0.570 1.00 0.00 O ATOM 277 CB ARG A 19 -3.278 5.096 -1.722 1.00 0.00 C ATOM 278 CG ARG A 19 -4.311 6.199 -1.411 1.00 0.00 C ATOM 279 CD ARG A 19 -5.344 6.423 -2.524 1.00 0.00 C ATOM 280 NE ARG A 19 -6.118 5.213 -2.846 1.00 0.00 N ATOM 281 CZ ARG A 19 -6.928 5.080 -3.880 1.00 0.00 C ATOM 282 NH1 ARG A 19 -7.270 6.089 -4.627 1.00 0.00 N ATOM 283 NH2 ARG A 19 -7.437 3.922 -4.183 1.00 0.00 N ATOM 284 OXT ARG A 19 -4.408 1.867 -1.153 1.00 0.00 O ATOM 0 H ARG A 19 -1.378 3.337 0.058 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.261 4.327 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.290 5.552 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.499 4.679 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.835 5.942 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.783 7.135 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.029 7.215 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.832 6.769 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.021 4.413 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.910 7.021 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.898 5.948 -5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.212 3.103 -3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.061 3.833 -4.985 1.00 0.00 H new