USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 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 1 MET CE :methyl 158:sc= -0.0535 (180deg=-1.35!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.046 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -67:sc= 0.68 USER MOD Single : A 14 ASN : amide:sc= -0.0578 X(o=-0.058,f=0.43) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 49:sc= 0.355 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.59! C(o=-3.6!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.139 8.247 5.657 1.00 0.00 N ATOM 2 CA MET A 1 -23.190 9.350 5.338 1.00 0.00 C ATOM 3 C MET A 1 -21.884 8.757 4.803 1.00 0.00 C ATOM 4 O MET A 1 -21.140 8.121 5.522 1.00 0.00 O ATOM 5 CB MET A 1 -22.905 10.161 6.604 1.00 0.00 C ATOM 6 CG MET A 1 -23.986 11.229 6.782 1.00 0.00 C ATOM 7 SD MET A 1 -24.160 11.625 8.539 1.00 0.00 S ATOM 8 CE MET A 1 -22.400 11.861 8.892 1.00 0.00 C ATOM 0 H1 MET A 1 -25.027 8.648 6.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.334 7.697 4.796 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.719 7.625 6.377 1.00 0.00 H new ATOM 0 HA MET A 1 -23.629 10.002 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.883 9.503 7.473 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.924 10.630 6.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.722 12.125 6.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.935 10.871 6.383 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.287 12.476 9.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.929 10.892 9.057 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.923 12.357 8.047 1.00 0.00 H new ATOM 20 N SER A 2 -21.604 8.956 3.544 1.00 0.00 N ATOM 21 CA SER A 2 -20.350 8.401 2.961 1.00 0.00 C ATOM 22 C SER A 2 -19.159 8.796 3.835 1.00 0.00 C ATOM 23 O SER A 2 -18.554 9.833 3.647 1.00 0.00 O ATOM 24 CB SER A 2 -20.153 8.957 1.550 1.00 0.00 C ATOM 25 OG SER A 2 -21.400 8.951 0.867 1.00 0.00 O ATOM 0 H SER A 2 -22.190 9.479 2.894 1.00 0.00 H new ATOM 0 HA SER A 2 -20.422 7.314 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.756 9.971 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.425 8.355 1.007 1.00 0.00 H new ATOM 0 HG SER A 2 -21.279 9.308 -0.038 1.00 0.00 H new ATOM 31 N TRP A 3 -18.816 7.977 4.791 1.00 0.00 N ATOM 32 CA TRP A 3 -17.664 8.305 5.676 1.00 0.00 C ATOM 33 C TRP A 3 -16.438 7.479 5.259 1.00 0.00 C ATOM 34 O TRP A 3 -15.856 6.777 6.061 1.00 0.00 O ATOM 35 CB TRP A 3 -18.033 7.974 7.123 1.00 0.00 C ATOM 36 CG TRP A 3 -17.909 9.208 7.958 1.00 0.00 C ATOM 37 CD1 TRP A 3 -18.370 10.431 7.610 1.00 0.00 C ATOM 38 CD2 TRP A 3 -17.291 9.360 9.269 1.00 0.00 C ATOM 39 NE1 TRP A 3 -18.073 11.325 8.621 1.00 0.00 N ATOM 40 CE2 TRP A 3 -17.409 10.713 9.666 1.00 0.00 C ATOM 41 CE3 TRP A 3 -16.646 8.466 10.142 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -16.905 11.163 10.886 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -16.138 8.915 11.372 1.00 0.00 C ATOM 44 CH2 TRP A 3 -16.268 10.262 11.743 1.00 0.00 C ATOM 0 H TRP A 3 -19.284 7.095 4.997 1.00 0.00 H new ATOM 0 HA TRP A 3 -17.428 9.366 5.589 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -19.051 7.589 7.172 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.378 7.193 7.508 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.886 10.670 6.692 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -18.315 12.316 8.598 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -16.541 7.427 9.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -17.006 12.201 11.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -15.645 8.220 12.036 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -15.876 10.602 12.690 1.00 0.00 H new ATOM 55 N ALA A 4 -16.040 7.550 4.013 1.00 0.00 N ATOM 56 CA ALA A 4 -14.858 6.762 3.566 1.00 0.00 C ATOM 57 C ALA A 4 -13.594 7.619 3.679 1.00 0.00 C ATOM 58 O ALA A 4 -12.661 7.466 2.916 1.00 0.00 O ATOM 59 CB ALA A 4 -15.053 6.337 2.110 1.00 0.00 C ATOM 0 H ALA A 4 -16.483 8.118 3.291 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.754 5.879 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.189 5.760 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.951 5.725 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.158 7.223 1.483 1.00 0.00 H new ATOM 65 N LEU A 5 -13.552 8.521 4.625 1.00 0.00 N ATOM 66 CA LEU A 5 -12.344 9.380 4.776 1.00 0.00 C ATOM 67 C LEU A 5 -11.259 8.604 5.527 1.00 0.00 C ATOM 68 O LEU A 5 -10.110 8.588 5.135 1.00 0.00 O ATOM 69 CB LEU A 5 -12.706 10.642 5.561 1.00 0.00 C ATOM 70 CG LEU A 5 -13.036 11.774 4.587 1.00 0.00 C ATOM 71 CD1 LEU A 5 -11.797 12.112 3.755 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.167 11.331 3.655 1.00 0.00 C ATOM 0 H LEU A 5 -14.299 8.698 5.296 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.974 9.662 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.560 10.447 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.876 10.933 6.205 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.348 12.655 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.034 12.919 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.990 12.427 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.484 11.231 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.403 12.137 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.853 10.450 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.051 11.090 4.245 1.00 0.00 H new ATOM 84 N GLU A 6 -11.614 7.959 6.605 1.00 0.00 N ATOM 85 CA GLU A 6 -10.600 7.186 7.374 1.00 0.00 C ATOM 86 C GLU A 6 -10.110 6.008 6.531 1.00 0.00 C ATOM 87 O GLU A 6 -8.962 5.617 6.599 1.00 0.00 O ATOM 88 CB GLU A 6 -11.226 6.658 8.667 1.00 0.00 C ATOM 89 CG GLU A 6 -10.126 6.112 9.579 1.00 0.00 C ATOM 90 CD GLU A 6 -10.665 4.925 10.382 1.00 0.00 C ATOM 91 OE1 GLU A 6 -11.345 4.099 9.795 1.00 0.00 O ATOM 92 OE2 GLU A 6 -10.390 4.863 11.569 1.00 0.00 O ATOM 0 H GLU A 6 -12.560 7.934 6.985 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.760 7.837 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.770 7.456 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.948 5.874 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.267 5.801 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.779 6.894 10.255 1.00 0.00 H new ATOM 99 N MET A 7 -10.972 5.438 5.735 1.00 0.00 N ATOM 100 CA MET A 7 -10.555 4.283 4.892 1.00 0.00 C ATOM 101 C MET A 7 -9.795 4.789 3.659 1.00 0.00 C ATOM 102 O MET A 7 -8.911 4.140 3.165 1.00 0.00 O ATOM 103 CB MET A 7 -11.795 3.507 4.441 1.00 0.00 C ATOM 104 CG MET A 7 -11.395 2.075 4.084 1.00 0.00 C ATOM 105 SD MET A 7 -10.974 1.175 5.596 1.00 0.00 S ATOM 106 CE MET A 7 -12.643 0.590 5.978 1.00 0.00 C ATOM 0 H MET A 7 -11.946 5.722 5.632 1.00 0.00 H new ATOM 0 HA MET A 7 -9.905 3.629 5.474 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.542 3.501 5.235 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.250 3.995 3.579 1.00 0.00 H new ATOM 0 HG2 MET A 7 -12.214 1.575 3.566 1.00 0.00 H new ATOM 0 HG3 MET A 7 -10.544 2.082 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.621 -0.002 6.893 1.00 0.00 H new ATOM 0 HE2 MET A 7 -13.306 1.445 6.114 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.010 -0.026 5.157 1.00 0.00 H new ATOM 116 N ALA A 8 -10.179 5.922 3.151 1.00 0.00 N ATOM 117 CA ALA A 8 -9.531 6.515 1.928 1.00 0.00 C ATOM 118 C ALA A 8 -8.185 7.188 2.196 1.00 0.00 C ATOM 119 O ALA A 8 -7.428 7.365 1.272 1.00 0.00 O ATOM 120 CB ALA A 8 -10.483 7.531 1.299 1.00 0.00 C ATOM 0 H ALA A 8 -10.936 6.486 3.536 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.329 5.682 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.019 7.964 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.411 7.034 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.699 8.321 2.018 1.00 0.00 H new ATOM 126 N ASP A 9 -7.916 7.635 3.399 1.00 0.00 N ATOM 127 CA ASP A 9 -6.682 8.402 3.685 1.00 0.00 C ATOM 128 C ASP A 9 -5.500 7.992 2.807 1.00 0.00 C ATOM 129 O ASP A 9 -5.679 7.585 1.671 1.00 0.00 O ATOM 130 CB ASP A 9 -6.318 8.197 5.158 1.00 0.00 C ATOM 131 CG ASP A 9 -5.922 9.536 5.781 1.00 0.00 C ATOM 132 OD1 ASP A 9 -6.807 10.340 6.021 1.00 0.00 O ATOM 133 OD2 ASP A 9 -4.739 9.734 6.009 1.00 0.00 O ATOM 0 H ASP A 9 -8.520 7.492 4.208 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.884 9.450 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.165 7.771 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.495 7.487 5.244 1.00 0.00 H new ATOM 138 N THR A 10 -4.308 8.152 3.344 1.00 0.00 N ATOM 139 CA THR A 10 -3.020 7.879 2.612 1.00 0.00 C ATOM 140 C THR A 10 -3.226 6.740 1.635 1.00 0.00 C ATOM 141 O THR A 10 -2.891 5.601 1.896 1.00 0.00 O ATOM 142 CB THR A 10 -1.954 7.466 3.630 1.00 0.00 C ATOM 143 OG1 THR A 10 -0.876 6.834 2.953 1.00 0.00 O ATOM 144 CG2 THR A 10 -2.563 6.495 4.643 1.00 0.00 C ATOM 0 H THR A 10 -4.170 8.475 4.302 1.00 0.00 H new ATOM 0 HA THR A 10 -2.706 8.773 2.074 1.00 0.00 H new ATOM 0 HB THR A 10 -1.587 8.349 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.181 5.984 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.803 6.201 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.390 6.981 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.930 5.610 4.123 1.00 0.00 H new ATOM 152 N PHE A 11 -3.860 7.037 0.534 1.00 0.00 N ATOM 153 CA PHE A 11 -4.193 5.979 -0.443 1.00 0.00 C ATOM 154 C PHE A 11 -4.794 4.827 0.330 1.00 0.00 C ATOM 155 O PHE A 11 -4.820 3.707 -0.121 1.00 0.00 O ATOM 156 CB PHE A 11 -2.967 5.478 -1.162 1.00 0.00 C ATOM 157 CG PHE A 11 -2.057 6.634 -1.500 1.00 0.00 C ATOM 158 CD1 PHE A 11 -2.576 7.765 -2.138 1.00 0.00 C ATOM 159 CD2 PHE A 11 -0.696 6.573 -1.176 1.00 0.00 C ATOM 160 CE1 PHE A 11 -1.734 8.838 -2.454 1.00 0.00 C ATOM 161 CE2 PHE A 11 0.146 7.646 -1.492 1.00 0.00 C ATOM 162 CZ PHE A 11 -0.373 8.779 -2.131 1.00 0.00 C ATOM 0 H PHE A 11 -4.161 7.976 0.273 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.879 6.384 -1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.438 4.759 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.258 4.955 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.626 7.811 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.296 5.699 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.134 9.711 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.196 7.600 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.276 9.607 -2.375 1.00 0.00 H new ATOM 172 N LEU A 12 -5.292 5.108 1.492 1.00 0.00 N ATOM 173 CA LEU A 12 -5.911 4.069 2.291 1.00 0.00 C ATOM 174 C LEU A 12 -7.136 3.654 1.500 1.00 0.00 C ATOM 175 O LEU A 12 -7.650 2.562 1.638 1.00 0.00 O ATOM 176 CB LEU A 12 -6.260 4.673 3.661 1.00 0.00 C ATOM 177 CG LEU A 12 -6.107 3.607 4.749 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.661 4.270 6.052 1.00 0.00 C ATOM 179 CD2 LEU A 12 -7.445 2.907 4.975 1.00 0.00 C ATOM 0 H LEU A 12 -5.289 6.036 1.916 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.280 3.201 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.607 5.519 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.281 5.053 3.652 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.362 2.876 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.552 3.512 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.705 4.771 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.407 5.001 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.333 2.149 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.190 3.638 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.769 2.433 4.048 1.00 0.00 H new ATOM 191 N ASP A 13 -7.596 4.537 0.637 1.00 0.00 N ATOM 192 CA ASP A 13 -8.793 4.197 -0.208 1.00 0.00 C ATOM 193 C ASP A 13 -8.646 2.815 -0.864 1.00 0.00 C ATOM 194 O ASP A 13 -9.431 1.922 -0.614 1.00 0.00 O ATOM 195 CB ASP A 13 -8.951 5.257 -1.302 1.00 0.00 C ATOM 196 CG ASP A 13 -10.277 5.998 -1.113 1.00 0.00 C ATOM 197 OD1 ASP A 13 -11.126 5.483 -0.405 1.00 0.00 O ATOM 198 OD2 ASP A 13 -10.421 7.067 -1.682 1.00 0.00 O ATOM 0 H ASP A 13 -7.201 5.465 0.483 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.671 4.176 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.120 5.962 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.923 4.786 -2.285 1.00 0.00 H new ATOM 203 N ASN A 14 -7.672 2.630 -1.716 1.00 0.00 N ATOM 204 CA ASN A 14 -7.520 1.304 -2.393 1.00 0.00 C ATOM 205 C ASN A 14 -6.454 0.462 -1.690 1.00 0.00 C ATOM 206 O ASN A 14 -6.422 -0.745 -1.817 1.00 0.00 O ATOM 207 CB ASN A 14 -7.106 1.520 -3.850 1.00 0.00 C ATOM 208 CG ASN A 14 -7.615 0.358 -4.704 1.00 0.00 C ATOM 209 OD1 ASN A 14 -7.524 -0.787 -4.309 1.00 0.00 O ATOM 210 ND2 ASN A 14 -8.151 0.606 -5.867 1.00 0.00 N ATOM 0 H ASN A 14 -6.979 3.333 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.474 0.779 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.513 2.462 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.021 1.591 -3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.494 -0.162 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.227 1.568 -6.199 1.00 0.00 H new ATOM 217 N MET A 15 -5.579 1.096 -0.964 1.00 0.00 N ATOM 218 CA MET A 15 -4.499 0.352 -0.253 1.00 0.00 C ATOM 219 C MET A 15 -3.952 -0.752 -1.163 1.00 0.00 C ATOM 220 O MET A 15 -4.288 -1.911 -1.021 1.00 0.00 O ATOM 221 CB MET A 15 -5.052 -0.262 1.038 1.00 0.00 C ATOM 222 CG MET A 15 -6.351 -1.013 0.744 1.00 0.00 C ATOM 223 SD MET A 15 -6.920 -1.839 2.251 1.00 0.00 S ATOM 224 CE MET A 15 -6.307 -3.492 1.843 1.00 0.00 C ATOM 0 H MET A 15 -5.564 2.107 -0.830 1.00 0.00 H new ATOM 0 HA MET A 15 -3.693 1.041 -0.000 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.318 -0.943 1.470 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.233 0.521 1.774 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.112 -0.320 0.386 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.190 -1.745 -0.047 1.00 0.00 H new ATOM 0 HE1 MET A 15 -6.552 -4.181 2.651 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.774 -3.835 0.920 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.225 -3.457 1.712 1.00 0.00 H new ATOM 234 N ARG A 16 -3.114 -0.396 -2.098 1.00 0.00 N ATOM 235 CA ARG A 16 -2.544 -1.416 -3.022 1.00 0.00 C ATOM 236 C ARG A 16 -1.319 -2.066 -2.376 1.00 0.00 C ATOM 237 O ARG A 16 -0.298 -2.250 -3.008 1.00 0.00 O ATOM 238 CB ARG A 16 -2.128 -0.742 -4.332 1.00 0.00 C ATOM 239 CG ARG A 16 -0.992 0.246 -4.060 1.00 0.00 C ATOM 240 CD ARG A 16 -0.099 0.350 -5.296 1.00 0.00 C ATOM 241 NE ARG A 16 0.469 1.725 -5.382 1.00 0.00 N ATOM 242 CZ ARG A 16 1.761 1.902 -5.339 1.00 0.00 C ATOM 243 NH1 ARG A 16 2.447 1.459 -4.321 1.00 0.00 N ATOM 244 NH2 ARG A 16 2.365 2.521 -6.315 1.00 0.00 N ATOM 0 H ARG A 16 -2.799 0.560 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.296 -2.179 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.806 -1.493 -5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.979 -0.222 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.400 1.225 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.406 -0.084 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.704 -0.384 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.675 0.126 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.153 2.528 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.973 0.974 -3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.457 1.597 -4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.827 2.866 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.375 2.660 -6.283 1.00 0.00 H new ATOM 258 N VAL A 17 -1.409 -2.415 -1.121 1.00 0.00 N ATOM 259 CA VAL A 17 -0.245 -3.052 -0.443 1.00 0.00 C ATOM 260 C VAL A 17 0.838 -2.000 -0.192 1.00 0.00 C ATOM 261 O VAL A 17 2.011 -2.308 -0.118 1.00 0.00 O ATOM 262 CB VAL A 17 0.318 -4.159 -1.334 1.00 0.00 C ATOM 263 CG1 VAL A 17 1.066 -5.179 -0.473 1.00 0.00 C ATOM 264 CG2 VAL A 17 -0.833 -4.855 -2.064 1.00 0.00 C ATOM 0 H VAL A 17 -2.236 -2.287 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.566 -3.477 0.508 1.00 0.00 H new ATOM 0 HB VAL A 17 1.005 -3.727 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.467 -5.968 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.884 -4.684 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.380 -5.613 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.435 -5.645 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.518 -5.287 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.367 -4.129 -2.678 1.00 0.00 H new ATOM 274 N GLY A 18 0.456 -0.759 -0.061 1.00 0.00 N ATOM 275 CA GLY A 18 1.466 0.309 0.186 1.00 0.00 C ATOM 276 C GLY A 18 0.910 1.315 1.196 1.00 0.00 C ATOM 277 O GLY A 18 0.758 2.481 0.887 1.00 0.00 O ATOM 0 H GLY A 18 -0.511 -0.439 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.389 -0.130 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.712 0.814 -0.748 1.00 0.00 H new ATOM 281 N PRO A 19 0.625 0.833 2.381 1.00 0.00 N ATOM 282 CA PRO A 19 0.084 1.666 3.468 1.00 0.00 C ATOM 283 C PRO A 19 1.206 2.479 4.123 1.00 0.00 C ATOM 284 O PRO A 19 1.589 2.228 5.249 1.00 0.00 O ATOM 285 CB PRO A 19 -0.494 0.644 4.451 1.00 0.00 C ATOM 286 CG PRO A 19 0.235 -0.692 4.170 1.00 0.00 C ATOM 287 CD PRO A 19 0.814 -0.588 2.746 1.00 0.00 C ATOM 0 HA PRO A 19 -0.658 2.388 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.336 0.963 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.570 0.536 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.028 -0.861 4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.454 -1.533 4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.867 -0.869 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.292 -1.250 2.055 1.00 0.00 H new ATOM 294 N ARG A 20 1.737 3.447 3.427 1.00 0.00 N ATOM 295 CA ARG A 20 2.836 4.268 4.011 1.00 0.00 C ATOM 296 C ARG A 20 4.026 3.361 4.332 1.00 0.00 C ATOM 297 O ARG A 20 4.891 3.706 5.113 1.00 0.00 O ATOM 298 CB ARG A 20 2.345 4.941 5.295 1.00 0.00 C ATOM 299 CG ARG A 20 3.176 6.199 5.564 1.00 0.00 C ATOM 300 CD ARG A 20 3.105 7.130 4.350 1.00 0.00 C ATOM 301 NE ARG A 20 3.253 8.543 4.800 1.00 0.00 N ATOM 302 CZ ARG A 20 3.854 9.412 4.036 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.936 9.075 3.391 1.00 0.00 N ATOM 304 NH2 ARG A 20 3.374 10.620 3.918 1.00 0.00 N ATOM 0 H ARG A 20 1.458 3.705 2.480 1.00 0.00 H new ATOM 0 HA ARG A 20 3.141 5.033 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.291 5.202 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.429 4.251 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.802 6.711 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.212 5.927 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.892 6.879 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.155 6.999 3.833 1.00 0.00 H new ATOM 0 HE ARG A 20 2.884 8.831 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.312 8.132 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.406 9.755 2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.528 10.884 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.844 11.300 3.320 1.00 0.00 H new ATOM 318 N THR A 21 4.075 2.202 3.733 1.00 0.00 N ATOM 319 CA THR A 21 5.205 1.268 3.997 1.00 0.00 C ATOM 320 C THR A 21 5.346 0.303 2.817 1.00 0.00 C ATOM 321 O THR A 21 4.770 -0.765 2.811 1.00 0.00 O ATOM 322 CB THR A 21 4.927 0.475 5.279 1.00 0.00 C ATOM 323 OG1 THR A 21 3.607 -0.048 5.234 1.00 0.00 O ATOM 324 CG2 THR A 21 5.069 1.394 6.494 1.00 0.00 C ATOM 0 H THR A 21 3.378 1.861 3.070 1.00 0.00 H new ATOM 0 HA THR A 21 6.128 1.835 4.119 1.00 0.00 H new ATOM 0 HB THR A 21 5.642 -0.344 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.461 -0.494 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.871 0.827 7.404 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.082 1.796 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.356 2.215 6.415 1.00 0.00 H new ATOM 332 N TYR A 22 6.110 0.679 1.819 1.00 0.00 N ATOM 333 CA TYR A 22 6.302 -0.206 0.622 1.00 0.00 C ATOM 334 C TYR A 22 6.765 0.618 -0.589 1.00 0.00 C ATOM 335 O TYR A 22 7.569 0.166 -1.370 1.00 0.00 O ATOM 336 CB TYR A 22 4.983 -0.903 0.274 1.00 0.00 C ATOM 337 CG TYR A 22 5.075 -2.376 0.612 1.00 0.00 C ATOM 338 CD1 TYR A 22 5.833 -2.800 1.711 1.00 0.00 C ATOM 339 CD2 TYR A 22 4.398 -3.316 -0.174 1.00 0.00 C ATOM 340 CE1 TYR A 22 5.913 -4.163 2.024 1.00 0.00 C ATOM 341 CE2 TYR A 22 4.478 -4.679 0.139 1.00 0.00 C ATOM 342 CZ TYR A 22 5.236 -5.102 1.237 1.00 0.00 C ATOM 343 OH TYR A 22 5.313 -6.445 1.546 1.00 0.00 O ATOM 0 H TYR A 22 6.612 1.566 1.781 1.00 0.00 H new ATOM 0 HA TYR A 22 7.063 -0.948 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.162 -0.445 0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.763 -0.777 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.356 -2.075 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.814 -2.990 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.497 -4.489 2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.955 -5.404 -0.467 1.00 0.00 H new ATOM 0 HH TYR A 22 4.785 -6.960 0.901 1.00 0.00 H new ATOM 353 N ALA A 23 6.263 1.810 -0.772 1.00 0.00 N ATOM 354 CA ALA A 23 6.698 2.614 -1.954 1.00 0.00 C ATOM 355 C ALA A 23 8.224 2.683 -2.005 1.00 0.00 C ATOM 356 O ALA A 23 8.833 2.633 -3.057 1.00 0.00 O ATOM 357 CB ALA A 23 6.122 4.028 -1.857 1.00 0.00 C ATOM 0 H ALA A 23 5.579 2.259 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 23 6.332 2.137 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.442 4.611 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.033 3.977 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.480 4.505 -0.945 1.00 0.00 H new ATOM 363 N ASP A 24 8.834 2.801 -0.872 1.00 0.00 N ATOM 364 CA ASP A 24 10.323 2.885 -0.807 1.00 0.00 C ATOM 365 C ASP A 24 10.944 1.501 -1.035 1.00 0.00 C ATOM 366 O ASP A 24 11.595 1.263 -2.034 1.00 0.00 O ATOM 367 CB ASP A 24 10.738 3.402 0.572 1.00 0.00 C ATOM 368 CG ASP A 24 11.059 4.895 0.485 1.00 0.00 C ATOM 369 OD1 ASP A 24 10.488 5.555 -0.368 1.00 0.00 O ATOM 370 OD2 ASP A 24 11.868 5.355 1.275 1.00 0.00 O ATOM 0 H ASP A 24 8.364 2.844 0.032 1.00 0.00 H new ATOM 0 HA ASP A 24 10.675 3.564 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.936 3.233 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.609 2.853 0.931 1.00 0.00 H new ATOM 375 N VAL A 25 10.759 0.593 -0.111 1.00 0.00 N ATOM 376 CA VAL A 25 11.350 -0.772 -0.263 1.00 0.00 C ATOM 377 C VAL A 25 11.216 -1.244 -1.712 1.00 0.00 C ATOM 378 O VAL A 25 12.099 -1.868 -2.258 1.00 0.00 O ATOM 379 CB VAL A 25 10.617 -1.748 0.657 1.00 0.00 C ATOM 380 CG1 VAL A 25 11.224 -3.144 0.508 1.00 0.00 C ATOM 381 CG2 VAL A 25 10.763 -1.282 2.107 1.00 0.00 C ATOM 0 H VAL A 25 10.223 0.738 0.745 1.00 0.00 H new ATOM 0 HA VAL A 25 12.406 -0.735 0.004 1.00 0.00 H new ATOM 0 HB VAL A 25 9.561 -1.781 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.701 -3.840 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.125 -3.476 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.279 -3.113 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.241 -1.976 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.819 -1.251 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.333 -0.286 2.214 1.00 0.00 H new ATOM 391 N ARG A 26 10.118 -0.950 -2.336 1.00 0.00 N ATOM 392 CA ARG A 26 9.927 -1.370 -3.754 1.00 0.00 C ATOM 393 C ARG A 26 10.805 -0.507 -4.658 1.00 0.00 C ATOM 394 O ARG A 26 11.595 -1.042 -5.387 1.00 0.00 O ATOM 395 CB ARG A 26 8.446 -1.236 -4.122 1.00 0.00 C ATOM 396 CG ARG A 26 7.589 -1.910 -3.048 1.00 0.00 C ATOM 397 CD ARG A 26 7.109 -3.270 -3.560 1.00 0.00 C ATOM 398 NE ARG A 26 5.705 -3.501 -3.119 1.00 0.00 N ATOM 399 CZ ARG A 26 4.713 -3.174 -3.902 1.00 0.00 C ATOM 400 NH1 ARG A 26 3.943 -4.100 -4.402 1.00 0.00 N ATOM 401 NH2 ARG A 26 4.494 -1.919 -4.185 1.00 0.00 N ATOM 0 H ARG A 26 9.338 -0.435 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 26 10.221 -2.411 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.176 -0.184 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.259 -1.695 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.167 -2.037 -2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.735 -1.280 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.170 -3.303 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.755 -4.062 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 26 5.519 -3.915 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.116 -5.081 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.168 -3.844 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.098 -1.195 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.719 -1.662 -4.797 1.00 0.00 H new ATOM 415 N ASP A 27 10.714 0.811 -4.612 1.00 0.00 N ATOM 416 CA ASP A 27 11.615 1.655 -5.491 1.00 0.00 C ATOM 417 C ASP A 27 12.967 0.978 -5.569 1.00 0.00 C ATOM 418 O ASP A 27 13.622 1.035 -6.583 1.00 0.00 O ATOM 419 CB ASP A 27 11.760 3.061 -4.904 1.00 0.00 C ATOM 420 CG ASP A 27 10.767 4.003 -5.586 1.00 0.00 C ATOM 421 OD1 ASP A 27 9.589 3.914 -5.280 1.00 0.00 O ATOM 422 OD2 ASP A 27 11.202 4.799 -6.402 1.00 0.00 O ATOM 0 H ASP A 27 10.070 1.333 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 27 11.185 1.748 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.577 3.039 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.778 3.423 -5.047 1.00 0.00 H new ATOM 427 N GLU A 28 13.341 0.252 -4.545 1.00 0.00 N ATOM 428 CA GLU A 28 14.572 -0.519 -4.639 1.00 0.00 C ATOM 429 C GLU A 28 14.250 -1.526 -5.725 1.00 0.00 C ATOM 430 O GLU A 28 13.610 -2.531 -5.492 1.00 0.00 O ATOM 431 CB GLU A 28 14.914 -1.205 -3.314 1.00 0.00 C ATOM 432 CG GLU A 28 15.777 -0.267 -2.467 1.00 0.00 C ATOM 433 CD GLU A 28 17.141 -0.913 -2.213 1.00 0.00 C ATOM 434 OE1 GLU A 28 17.227 -2.126 -2.305 1.00 0.00 O ATOM 435 OE2 GLU A 28 18.076 -0.183 -1.929 1.00 0.00 O ATOM 0 H GLU A 28 12.836 0.173 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 28 15.447 0.092 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.000 -1.461 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.446 -2.138 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.905 0.687 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.281 -0.057 -1.519 1.00 0.00 H new ATOM 442 N ILE A 29 14.576 -1.151 -6.920 1.00 0.00 N ATOM 443 CA ILE A 29 14.219 -1.930 -8.145 1.00 0.00 C ATOM 444 C ILE A 29 12.925 -1.295 -8.654 1.00 0.00 C ATOM 445 O ILE A 29 11.896 -1.937 -8.644 1.00 0.00 O ATOM 446 CB ILE A 29 13.948 -3.405 -7.811 1.00 0.00 C ATOM 447 CG1 ILE A 29 15.179 -4.009 -7.114 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.683 -4.154 -9.123 1.00 0.00 C ATOM 449 CD1 ILE A 29 15.176 -5.535 -7.262 1.00 0.00 C ATOM 0 H ILE A 29 15.100 -0.298 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 29 15.030 -1.906 -8.873 1.00 0.00 H new ATOM 0 HB ILE A 29 13.087 -3.490 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 29 16.090 -3.596 -7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.177 -3.739 -6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.488 -5.205 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 29 12.817 -3.719 -9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.555 -4.072 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 29 16.052 -5.951 -6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.273 -5.943 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 29 15.200 -5.798 -8.320 1.00 0.00 H new ATOM 461 N ASN A 30 12.968 -0.019 -9.051 1.00 0.00 N ATOM 462 CA ASN A 30 11.748 0.717 -9.482 1.00 0.00 C ATOM 463 C ASN A 30 10.504 0.024 -8.976 1.00 0.00 C ATOM 464 O ASN A 30 9.573 -0.196 -9.719 1.00 0.00 O ATOM 465 CB ASN A 30 11.690 0.873 -10.981 1.00 0.00 C ATOM 466 CG ASN A 30 11.889 -0.477 -11.675 1.00 0.00 C ATOM 467 OD1 ASN A 30 12.597 -1.330 -11.183 1.00 0.00 O ATOM 468 ND2 ASN A 30 11.292 -0.703 -12.813 1.00 0.00 N ATOM 0 H ASN A 30 13.824 0.534 -9.087 1.00 0.00 H new ATOM 0 HA ASN A 30 11.797 1.716 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.729 1.298 -11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.459 1.573 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.421 -1.596 -13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.696 0.014 -13.228 1.00 0.00 H new ATOM 475 N LYS A 31 10.509 -0.307 -7.702 1.00 0.00 N ATOM 476 CA LYS A 31 9.337 -0.993 -7.056 1.00 0.00 C ATOM 477 C LYS A 31 9.602 -2.495 -6.798 1.00 0.00 C ATOM 478 O LYS A 31 8.663 -3.265 -6.755 1.00 0.00 O ATOM 479 CB LYS A 31 8.066 -0.894 -7.914 1.00 0.00 C ATOM 480 CG LYS A 31 7.678 0.571 -8.129 1.00 0.00 C ATOM 481 CD LYS A 31 6.546 0.643 -9.157 1.00 0.00 C ATOM 482 CE LYS A 31 6.523 2.029 -9.804 1.00 0.00 C ATOM 483 NZ LYS A 31 5.510 2.048 -10.897 1.00 0.00 N ATOM 0 H LYS A 31 11.290 -0.127 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 31 9.194 -0.473 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.231 -1.378 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.249 -1.425 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.360 1.018 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.539 1.141 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.686 -0.123 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.590 0.441 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.284 2.787 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.508 2.273 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.493 2.990 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.758 1.335 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.571 1.833 -10.504 1.00 0.00 H new ATOM 497 N ARG A 32 10.826 -2.959 -6.619 1.00 0.00 N ATOM 498 CA ARG A 32 10.987 -4.421 -6.369 1.00 0.00 C ATOM 499 C ARG A 32 12.010 -4.661 -5.258 1.00 0.00 C ATOM 500 O ARG A 32 13.178 -4.880 -5.512 1.00 0.00 O ATOM 501 CB ARG A 32 11.448 -5.110 -7.650 1.00 0.00 C ATOM 502 CG ARG A 32 10.465 -6.226 -8.012 1.00 0.00 C ATOM 503 CD ARG A 32 10.882 -7.524 -7.319 1.00 0.00 C ATOM 504 NE ARG A 32 9.688 -8.397 -7.145 1.00 0.00 N ATOM 505 CZ ARG A 32 9.102 -8.478 -5.980 1.00 0.00 C ATOM 506 NH1 ARG A 32 8.707 -7.393 -5.372 1.00 0.00 N ATOM 507 NH2 ARG A 32 8.910 -9.644 -5.427 1.00 0.00 N ATOM 0 H ARG A 32 11.684 -2.407 -6.635 1.00 0.00 H new ATOM 0 HA ARG A 32 10.028 -4.834 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.509 -4.387 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.448 -5.522 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.456 -5.948 -7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.444 -6.369 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.639 -8.038 -7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.330 -7.304 -6.350 1.00 0.00 H new ATOM 0 HE ARG A 32 9.328 -8.932 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.856 -6.482 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.249 -7.456 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.217 -10.492 -5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.453 -9.708 -4.518 1.00 0.00 H new ATOM 521 N GLY A 33 11.581 -4.635 -4.023 1.00 0.00 N ATOM 522 CA GLY A 33 12.527 -4.878 -2.901 1.00 0.00 C ATOM 523 C GLY A 33 12.402 -6.336 -2.455 1.00 0.00 C ATOM 524 O GLY A 33 11.938 -7.182 -3.194 1.00 0.00 O ATOM 0 H GLY A 33 10.616 -4.456 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.549 -4.667 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.305 -4.209 -2.069 1.00 0.00 H new ATOM 528 N ARG A 34 12.805 -6.640 -1.252 1.00 0.00 N ATOM 529 CA ARG A 34 12.699 -8.045 -0.768 1.00 0.00 C ATOM 530 C ARG A 34 12.354 -8.046 0.724 1.00 0.00 C ATOM 531 O ARG A 34 12.951 -7.268 1.450 1.00 0.00 O ATOM 532 CB ARG A 34 14.031 -8.767 -0.987 1.00 0.00 C ATOM 533 CG ARG A 34 15.154 -7.997 -0.290 1.00 0.00 C ATOM 534 CD ARG A 34 16.448 -8.811 -0.349 1.00 0.00 C ATOM 535 NE ARG A 34 17.394 -8.172 -1.307 1.00 0.00 N ATOM 536 CZ ARG A 34 18.677 -8.177 -1.059 1.00 0.00 C ATOM 537 NH1 ARG A 34 19.238 -9.233 -0.539 1.00 0.00 N ATOM 538 NH2 ARG A 34 19.396 -7.122 -1.331 1.00 0.00 N ATOM 539 OXT ARG A 34 11.498 -8.822 1.113 1.00 0.00 O ATOM 0 H ARG A 34 13.202 -5.978 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 34 11.915 -8.561 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.975 -9.782 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.240 -8.849 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.299 -7.030 -0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.884 -7.799 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.900 -8.868 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.233 -9.833 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 34 17.040 -7.731 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 34 18.675 -10.056 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 34 20.240 -9.236 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.956 -6.296 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.398 -7.124 -1.138 1.00 0.00 H new TER 553 ARG A 34