USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 248 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= 1.16 F(o=-0.058,f=1.2) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0182 F(o=-1.1,f=-0.018) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc=-0.00934 (180deg=-0.397) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -160:sc= -0.713 USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.051 (180deg=-0.286) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.778 X(o=-0.78,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -5.924 5.413 -1.617 1.00 0.00 N ATOM 11 CA CYS A 2 -5.125 4.160 -1.589 1.00 0.00 C ATOM 12 C CYS A 2 -4.868 3.724 -0.146 1.00 0.00 C ATOM 13 O CYS A 2 -5.457 4.238 0.785 1.00 0.00 O ATOM 14 CB CYS A 2 -3.809 4.513 -2.282 1.00 0.00 C ATOM 15 SG CYS A 2 -3.181 6.096 -1.663 1.00 0.00 S ATOM 0 HA CYS A 2 -5.639 3.335 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.074 3.728 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.961 4.570 -3.360 1.00 0.00 H new ATOM 20 N LEU A 3 -3.995 2.774 0.044 1.00 0.00 N ATOM 21 CA LEU A 3 -3.699 2.295 1.421 1.00 0.00 C ATOM 22 C LEU A 3 -2.650 3.200 2.087 1.00 0.00 C ATOM 23 O LEU A 3 -2.834 4.396 2.193 1.00 0.00 O ATOM 24 CB LEU A 3 -3.167 0.874 1.224 1.00 0.00 C ATOM 25 CG LEU A 3 -4.162 0.073 0.383 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.630 -1.346 0.171 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.505 0.009 1.112 1.00 0.00 C ATOM 0 H LEU A 3 -3.473 2.308 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.572 2.314 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.196 0.902 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.019 0.392 2.190 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.293 0.558 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.340 -1.915 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.672 -1.302 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.498 -1.833 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.216 -0.561 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.371 -0.476 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.886 1.019 1.263 1.00 0.00 H new ATOM 39 N GLU A 4 -1.556 2.645 2.545 1.00 0.00 N ATOM 40 CA GLU A 4 -0.514 3.486 3.206 1.00 0.00 C ATOM 41 C GLU A 4 0.882 3.047 2.776 1.00 0.00 C ATOM 42 O GLU A 4 1.067 2.444 1.741 1.00 0.00 O ATOM 43 CB GLU A 4 -0.709 3.249 4.703 1.00 0.00 C ATOM 44 CG GLU A 4 -0.724 4.592 5.435 1.00 0.00 C ATOM 45 CD GLU A 4 -1.615 4.491 6.675 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.107 4.102 7.714 1.00 0.00 O ATOM 47 OE2 GLU A 4 -2.788 4.804 6.564 1.00 0.00 O ATOM 0 H GLU A 4 -1.341 1.650 2.490 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.608 4.539 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.644 2.717 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.093 2.621 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.289 4.871 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.093 5.375 4.772 1.00 0.00 H new ATOM 54 N PHE A 5 1.864 3.358 3.567 1.00 0.00 N ATOM 55 CA PHE A 5 3.262 2.974 3.219 1.00 0.00 C ATOM 56 C PHE A 5 3.527 1.510 3.593 1.00 0.00 C ATOM 57 O PHE A 5 4.578 0.971 3.308 1.00 0.00 O ATOM 58 CB PHE A 5 4.141 3.903 4.054 1.00 0.00 C ATOM 59 CG PHE A 5 5.302 4.392 3.222 1.00 0.00 C ATOM 60 CD1 PHE A 5 6.162 3.475 2.605 1.00 0.00 C ATOM 61 CD2 PHE A 5 5.520 5.766 3.070 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.240 3.934 1.837 1.00 0.00 C ATOM 63 CE2 PHE A 5 6.596 6.225 2.302 1.00 0.00 C ATOM 64 CZ PHE A 5 7.456 5.308 1.685 1.00 0.00 C ATOM 0 H PHE A 5 1.762 3.865 4.446 1.00 0.00 H new ATOM 0 HA PHE A 5 3.460 3.066 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.555 4.750 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.509 3.376 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.994 2.414 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.857 6.473 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.904 3.227 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.763 7.286 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.286 5.662 1.092 1.00 0.00 H new ATOM 74 N TRP A 6 2.591 0.865 4.238 1.00 0.00 N ATOM 75 CA TRP A 6 2.809 -0.560 4.633 1.00 0.00 C ATOM 76 C TRP A 6 1.475 -1.253 4.930 1.00 0.00 C ATOM 77 O TRP A 6 1.331 -1.929 5.930 1.00 0.00 O ATOM 78 CB TRP A 6 3.651 -0.482 5.905 1.00 0.00 C ATOM 79 CG TRP A 6 4.296 -1.804 6.166 1.00 0.00 C ATOM 80 CD1 TRP A 6 3.825 -2.753 7.007 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.521 -2.334 5.595 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.688 -3.835 6.986 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.749 -3.623 6.128 1.00 0.00 C ATOM 84 CE3 TRP A 6 6.445 -1.824 4.672 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.863 -4.380 5.757 1.00 0.00 C ATOM 86 CZ3 TRP A 6 7.566 -2.579 4.295 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.774 -3.856 4.836 1.00 0.00 C ATOM 0 H TRP A 6 1.690 1.259 4.508 1.00 0.00 H new ATOM 0 HA TRP A 6 3.292 -1.133 3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.413 0.291 5.801 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.024 -0.200 6.751 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.924 -2.679 7.598 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.557 -4.684 7.536 1.00 0.00 H new ATOM 0 HE3 TRP A 6 6.293 -0.842 4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.019 -5.362 6.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.272 -2.175 3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 6 8.637 -4.434 4.541 1.00 0.00 H new ATOM 98 N TRP A 7 0.502 -1.108 4.076 1.00 0.00 N ATOM 99 CA TRP A 7 -0.805 -1.778 4.328 1.00 0.00 C ATOM 100 C TRP A 7 -0.855 -3.094 3.552 1.00 0.00 C ATOM 101 O TRP A 7 -0.146 -3.267 2.583 1.00 0.00 O ATOM 102 CB TRP A 7 -1.865 -0.800 3.823 1.00 0.00 C ATOM 103 CG TRP A 7 -2.241 0.132 4.931 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.534 0.303 6.072 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.393 1.019 5.027 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.178 1.237 6.861 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.329 1.708 6.261 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.478 1.289 4.173 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.305 2.633 6.634 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.461 2.220 4.546 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.375 2.890 5.774 1.00 0.00 C ATOM 0 H TRP A 7 0.553 -0.558 3.219 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.962 -2.017 5.380 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.482 -0.237 2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.743 -1.344 3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.616 -0.207 6.325 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.844 1.541 7.775 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.555 0.777 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.233 3.147 7.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.289 2.421 3.882 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.135 3.604 6.055 1.00 0.00 H new ATOM 122 N LYS A 8 -1.670 -4.027 3.973 1.00 0.00 N ATOM 123 CA LYS A 8 -1.735 -5.331 3.245 1.00 0.00 C ATOM 124 C LYS A 8 -1.674 -5.080 1.741 1.00 0.00 C ATOM 125 O LYS A 8 -1.994 -4.007 1.270 1.00 0.00 O ATOM 126 CB LYS A 8 -3.073 -5.970 3.619 1.00 0.00 C ATOM 127 CG LYS A 8 -3.312 -5.847 5.127 1.00 0.00 C ATOM 128 CD LYS A 8 -3.741 -7.203 5.691 1.00 0.00 C ATOM 129 CE LYS A 8 -5.269 -7.277 5.734 1.00 0.00 C ATOM 130 NZ LYS A 8 -5.578 -8.428 6.630 1.00 0.00 N ATOM 0 H LYS A 8 -2.287 -3.945 4.781 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.903 -5.982 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.882 -5.484 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.078 -7.020 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.403 -5.507 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.081 -5.100 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.344 -8.008 5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.331 -7.339 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.698 -6.352 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.684 -7.430 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.609 -8.540 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.164 -9.296 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.177 -8.251 7.573 1.00 0.00 H new ATOM 144 N CYS A 9 -1.256 -6.048 0.985 1.00 0.00 N ATOM 145 CA CYS A 9 -1.166 -5.838 -0.488 1.00 0.00 C ATOM 146 C CYS A 9 -1.140 -7.171 -1.235 1.00 0.00 C ATOM 147 O CYS A 9 -1.028 -8.228 -0.649 1.00 0.00 O ATOM 148 CB CYS A 9 0.156 -5.104 -0.691 1.00 0.00 C ATOM 149 SG CYS A 9 1.519 -6.218 -0.269 1.00 0.00 S ATOM 0 H CYS A 9 -0.974 -6.971 1.315 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.023 -5.284 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.247 -4.772 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.191 -4.212 -0.066 1.00 0.00 H new ATOM 154 N ASN A 10 -1.234 -7.115 -2.535 1.00 0.00 N ATOM 155 CA ASN A 10 -1.205 -8.361 -3.347 1.00 0.00 C ATOM 156 C ASN A 10 -0.848 -8.023 -4.797 1.00 0.00 C ATOM 157 O ASN A 10 -1.424 -7.128 -5.383 1.00 0.00 O ATOM 158 CB ASN A 10 -2.621 -8.932 -3.258 1.00 0.00 C ATOM 159 CG ASN A 10 -2.564 -10.351 -2.687 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.155 -11.322 -3.327 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -1.976 -10.577 -1.649 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.330 -6.253 -3.072 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.463 -9.075 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.241 -8.298 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.082 -8.944 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.514 -9.818 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.944 -11.526 -1.277 1.00 0.00 H new ATOM 168 N PRO A 11 0.088 -8.757 -5.330 1.00 0.00 N ATOM 169 CA PRO A 11 0.527 -8.539 -6.734 1.00 0.00 C ATOM 170 C PRO A 11 -0.623 -8.825 -7.707 1.00 0.00 C ATOM 171 O PRO A 11 -0.535 -8.535 -8.884 1.00 0.00 O ATOM 172 CB PRO A 11 1.677 -9.533 -6.904 1.00 0.00 C ATOM 173 CG PRO A 11 1.422 -10.578 -5.868 1.00 0.00 C ATOM 174 CD PRO A 11 0.821 -9.852 -4.695 1.00 0.00 C ATOM 0 HA PRO A 11 0.833 -7.514 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.687 -9.961 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.643 -9.052 -6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.743 -11.344 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.346 -11.082 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.161 -10.497 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.587 -9.483 -4.012 1.00 0.00 H new ATOM 182 N ASN A 12 -1.706 -9.370 -7.223 1.00 0.00 N ATOM 183 CA ASN A 12 -2.866 -9.648 -8.118 1.00 0.00 C ATOM 184 C ASN A 12 -3.798 -8.434 -8.130 1.00 0.00 C ATOM 185 O ASN A 12 -4.198 -7.951 -9.170 1.00 0.00 O ATOM 186 CB ASN A 12 -3.568 -10.859 -7.500 1.00 0.00 C ATOM 187 CG ASN A 12 -4.298 -11.644 -8.593 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.631 -11.043 -9.703 1.00 0.00 O flip ATOM 189 ND2 ASN A 12 -4.570 -12.818 -8.436 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.838 -9.635 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.566 -9.842 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.839 -11.500 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.276 -10.532 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.311 -13.290 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.057 -13.331 -9.171 1.00 0.00 H new ATOM 196 N ASP A 13 -4.135 -7.934 -6.972 1.00 0.00 N ATOM 197 CA ASP A 13 -5.030 -6.743 -6.896 1.00 0.00 C ATOM 198 C ASP A 13 -4.507 -5.775 -5.832 1.00 0.00 C ATOM 199 O ASP A 13 -5.178 -5.476 -4.865 1.00 0.00 O ATOM 200 CB ASP A 13 -6.397 -7.297 -6.493 1.00 0.00 C ATOM 201 CG ASP A 13 -6.808 -8.404 -7.467 1.00 0.00 C ATOM 202 OD1 ASP A 13 -6.571 -8.241 -8.652 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.352 -9.395 -7.010 1.00 0.00 O ATOM 0 H ASP A 13 -3.828 -8.301 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.079 -6.195 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.357 -7.689 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.140 -6.500 -6.498 1.00 0.00 H new ATOM 208 N ASP A 14 -3.307 -5.289 -6.002 1.00 0.00 N ATOM 209 CA ASP A 14 -2.732 -4.347 -4.998 1.00 0.00 C ATOM 210 C ASP A 14 -3.552 -3.056 -4.942 1.00 0.00 C ATOM 211 O ASP A 14 -4.275 -2.726 -5.863 1.00 0.00 O ATOM 212 CB ASP A 14 -1.314 -4.062 -5.493 1.00 0.00 C ATOM 213 CG ASP A 14 -1.377 -3.210 -6.762 1.00 0.00 C ATOM 214 OD1 ASP A 14 -2.265 -3.444 -7.566 1.00 0.00 O ATOM 215 OD2 ASP A 14 -0.538 -2.337 -6.908 1.00 0.00 O ATOM 0 H ASP A 14 -2.700 -5.503 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.739 -4.765 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.746 -3.542 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.794 -4.998 -5.696 1.00 0.00 H new ATOM 220 N LYS A 15 -3.449 -2.322 -3.865 1.00 0.00 N ATOM 221 CA LYS A 15 -4.226 -1.055 -3.751 1.00 0.00 C ATOM 222 C LYS A 15 -3.406 0.021 -3.031 1.00 0.00 C ATOM 223 O LYS A 15 -3.898 1.094 -2.743 1.00 0.00 O ATOM 224 CB LYS A 15 -5.461 -1.419 -2.927 1.00 0.00 C ATOM 225 CG LYS A 15 -6.354 -0.184 -2.771 1.00 0.00 C ATOM 226 CD LYS A 15 -7.821 -0.591 -2.917 1.00 0.00 C ATOM 227 CE LYS A 15 -8.311 -1.214 -1.608 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.725 -2.598 -1.972 1.00 0.00 N ATOM 0 H LYS A 15 -2.861 -2.545 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.487 -0.650 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.014 -2.221 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.161 -1.790 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.189 0.276 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.096 0.561 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.428 0.279 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.932 -1.303 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.523 -1.223 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.144 -0.650 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.074 -3.090 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.481 -2.558 -2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.910 -3.113 -2.361 1.00 0.00 H new ATOM 242 N CYS A 16 -2.161 -0.248 -2.737 1.00 0.00 N ATOM 243 CA CYS A 16 -1.334 0.778 -2.038 1.00 0.00 C ATOM 244 C CYS A 16 -1.166 2.006 -2.932 1.00 0.00 C ATOM 245 O CYS A 16 -1.172 1.906 -4.143 1.00 0.00 O ATOM 246 CB CYS A 16 0.024 0.116 -1.787 1.00 0.00 C ATOM 247 SG CYS A 16 0.996 1.162 -0.672 1.00 0.00 S ATOM 0 H CYS A 16 -1.685 -1.125 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.796 1.109 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.115 -0.873 -1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.554 -0.024 -2.729 1.00 0.00 H new ATOM 252 N CYS A 17 -1.009 3.161 -2.349 1.00 0.00 N ATOM 253 CA CYS A 17 -0.833 4.384 -3.177 1.00 0.00 C ATOM 254 C CYS A 17 0.167 4.089 -4.295 1.00 0.00 C ATOM 255 O CYS A 17 1.015 3.231 -4.162 1.00 0.00 O ATOM 256 CB CYS A 17 -0.280 5.438 -2.217 1.00 0.00 C ATOM 257 SG CYS A 17 -1.407 5.630 -0.813 1.00 0.00 S ATOM 0 H CYS A 17 -0.995 3.310 -1.340 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.759 4.720 -3.644 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.708 5.142 -1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.162 6.390 -2.735 1.00 0.00 H new ATOM 262 N ARG A 18 0.081 4.779 -5.397 1.00 0.00 N ATOM 263 CA ARG A 18 1.039 4.502 -6.499 1.00 0.00 C ATOM 264 C ARG A 18 2.044 5.649 -6.714 1.00 0.00 C ATOM 265 O ARG A 18 2.547 5.804 -7.808 1.00 0.00 O ATOM 266 CB ARG A 18 0.166 4.333 -7.740 1.00 0.00 C ATOM 267 CG ARG A 18 0.516 3.017 -8.431 1.00 0.00 C ATOM 268 CD ARG A 18 0.206 1.849 -7.491 1.00 0.00 C ATOM 269 NE ARG A 18 -0.570 0.885 -8.317 1.00 0.00 N ATOM 270 CZ ARG A 18 0.054 0.042 -9.093 1.00 0.00 C ATOM 271 NH1 ARG A 18 0.925 -0.787 -8.586 1.00 0.00 N ATOM 272 NH2 ARG A 18 -0.192 0.029 -10.374 1.00 0.00 N ATOM 0 H ARG A 18 -0.602 5.514 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 18 1.643 3.623 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.888 4.341 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.321 5.168 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.054 2.916 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.571 3.007 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.121 1.395 -7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.369 2.180 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.589 0.883 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.117 -0.775 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.414 -1.447 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.872 0.678 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.296 -0.630 -10.980 1.00 0.00 H new ATOM 286 N PRO A 19 2.334 6.412 -5.683 1.00 0.00 N ATOM 287 CA PRO A 19 3.313 7.504 -5.846 1.00 0.00 C ATOM 288 C PRO A 19 4.721 6.914 -5.833 1.00 0.00 C ATOM 289 O PRO A 19 5.633 7.433 -6.445 1.00 0.00 O ATOM 290 CB PRO A 19 3.085 8.388 -4.626 1.00 0.00 C ATOM 291 CG PRO A 19 2.508 7.476 -3.589 1.00 0.00 C ATOM 292 CD PRO A 19 1.808 6.351 -4.313 1.00 0.00 C ATOM 0 HA PRO A 19 3.202 8.058 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.018 8.835 -4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.403 9.207 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.294 7.085 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.808 8.015 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.020 5.388 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.726 6.481 -4.297 1.00 0.00 H new ATOM 300 N LYS A 20 4.893 5.817 -5.139 1.00 0.00 N ATOM 301 CA LYS A 20 6.233 5.164 -5.073 1.00 0.00 C ATOM 302 C LYS A 20 6.178 3.919 -4.179 1.00 0.00 C ATOM 303 O LYS A 20 7.028 3.726 -3.335 1.00 0.00 O ATOM 304 CB LYS A 20 7.169 6.212 -4.460 1.00 0.00 C ATOM 305 CG LYS A 20 6.846 6.397 -2.970 1.00 0.00 C ATOM 306 CD LYS A 20 6.176 7.753 -2.757 1.00 0.00 C ATOM 307 CE LYS A 20 7.160 8.873 -3.101 1.00 0.00 C ATOM 308 NZ LYS A 20 6.307 10.019 -3.521 1.00 0.00 N ATOM 0 H LYS A 20 4.158 5.344 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 20 6.572 4.840 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.206 5.899 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.059 7.161 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.189 5.597 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.760 6.334 -2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.287 7.832 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.848 7.849 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.777 9.134 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.838 8.572 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.879 10.887 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.919 9.834 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.526 10.137 -2.844 1.00 0.00 H new ATOM 322 N LEU A 21 5.192 3.078 -4.346 1.00 0.00 N ATOM 323 CA LEU A 21 5.113 1.859 -3.486 1.00 0.00 C ATOM 324 C LEU A 21 4.681 0.642 -4.301 1.00 0.00 C ATOM 325 O LEU A 21 4.211 0.749 -5.416 1.00 0.00 O ATOM 326 CB LEU A 21 4.057 2.164 -2.424 1.00 0.00 C ATOM 327 CG LEU A 21 4.519 3.338 -1.561 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.439 3.669 -0.530 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.814 2.959 -0.838 1.00 0.00 C ATOM 0 H LEU A 21 4.445 3.179 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 21 6.084 1.628 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.106 2.402 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.890 1.286 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 21 4.696 4.208 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.768 4.506 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.516 3.937 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.262 2.800 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.145 3.795 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.636 2.090 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.584 2.722 -1.572 1.00 0.00 H new ATOM 341 N LYS A 22 4.829 -0.514 -3.726 1.00 0.00 N ATOM 342 CA LYS A 22 4.425 -1.765 -4.408 1.00 0.00 C ATOM 343 C LYS A 22 4.297 -2.880 -3.371 1.00 0.00 C ATOM 344 O LYS A 22 5.099 -2.977 -2.463 1.00 0.00 O ATOM 345 CB LYS A 22 5.546 -2.070 -5.403 1.00 0.00 C ATOM 346 CG LYS A 22 4.950 -2.714 -6.658 1.00 0.00 C ATOM 347 CD LYS A 22 5.017 -4.237 -6.532 1.00 0.00 C ATOM 348 CE LYS A 22 6.192 -4.769 -7.359 1.00 0.00 C ATOM 349 NZ LYS A 22 6.548 -6.081 -6.743 1.00 0.00 N ATOM 0 H LYS A 22 5.221 -0.645 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 22 3.465 -1.677 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.073 -1.153 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.278 -2.739 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.916 -2.394 -6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.497 -2.387 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.137 -4.521 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.084 -4.682 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.913 -4.889 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.036 -4.080 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.346 -6.502 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.817 -5.936 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.729 -6.720 -6.790 1.00 0.00 H new ATOM 363 N CYS A 23 3.297 -3.711 -3.483 1.00 0.00 N ATOM 364 CA CYS A 23 3.127 -4.807 -2.484 1.00 0.00 C ATOM 365 C CYS A 23 4.484 -5.402 -2.093 1.00 0.00 C ATOM 366 O CYS A 23 5.358 -5.586 -2.919 1.00 0.00 O ATOM 367 CB CYS A 23 2.270 -5.873 -3.174 1.00 0.00 C ATOM 368 SG CYS A 23 1.905 -7.195 -1.993 1.00 0.00 S ATOM 0 H CYS A 23 2.592 -3.680 -4.220 1.00 0.00 H new ATOM 0 HA CYS A 23 2.662 -4.437 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.344 -5.431 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.796 -6.276 -4.039 1.00 0.00 H new ATOM 373 N SER A 24 4.661 -5.704 -0.839 1.00 0.00 N ATOM 374 CA SER A 24 5.947 -6.290 -0.375 1.00 0.00 C ATOM 375 C SER A 24 5.688 -7.651 0.272 1.00 0.00 C ATOM 376 O SER A 24 5.155 -7.741 1.366 1.00 0.00 O ATOM 377 CB SER A 24 6.491 -5.303 0.655 1.00 0.00 C ATOM 378 OG SER A 24 7.711 -4.751 0.178 1.00 0.00 O ATOM 0 H SER A 24 3.962 -5.568 -0.108 1.00 0.00 H new ATOM 0 HA SER A 24 6.651 -6.446 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.765 -4.510 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.654 -5.807 1.608 1.00 0.00 H new ATOM 0 HG SER A 24 8.218 -4.380 0.930 1.00 0.00 H new ATOM 384 N LYS A 25 6.054 -8.707 -0.403 1.00 0.00 N ATOM 385 CA LYS A 25 5.833 -10.071 0.151 1.00 0.00 C ATOM 386 C LYS A 25 6.621 -10.251 1.450 1.00 0.00 C ATOM 387 O LYS A 25 6.285 -11.075 2.278 1.00 0.00 O ATOM 388 CB LYS A 25 6.351 -11.017 -0.930 1.00 0.00 C ATOM 389 CG LYS A 25 5.764 -12.412 -0.714 1.00 0.00 C ATOM 390 CD LYS A 25 5.973 -13.254 -1.974 1.00 0.00 C ATOM 391 CE LYS A 25 4.923 -12.877 -3.020 1.00 0.00 C ATOM 392 NZ LYS A 25 5.691 -12.223 -4.116 1.00 0.00 N ATOM 0 H LYS A 25 6.499 -8.682 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 25 4.787 -10.258 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.075 -10.644 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.440 -11.060 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.242 -12.891 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.701 -12.339 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.974 -13.089 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.897 -14.314 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.391 -13.757 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.176 -12.202 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.079 -11.542 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.511 -11.724 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.019 -12.945 -4.789 1.00 0.00 H new ATOM 406 N LEU A 26 7.666 -9.489 1.635 1.00 0.00 N ATOM 407 CA LEU A 26 8.472 -9.615 2.882 1.00 0.00 C ATOM 408 C LEU A 26 7.546 -9.782 4.084 1.00 0.00 C ATOM 409 O LEU A 26 7.750 -10.634 4.928 1.00 0.00 O ATOM 410 CB LEU A 26 9.249 -8.304 2.984 1.00 0.00 C ATOM 411 CG LEU A 26 10.119 -8.122 1.739 1.00 0.00 C ATOM 412 CD1 LEU A 26 9.903 -6.719 1.168 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.592 -8.296 2.118 1.00 0.00 C ATOM 0 H LEU A 26 7.996 -8.784 0.975 1.00 0.00 H new ATOM 0 HA LEU A 26 9.135 -10.480 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.558 -7.467 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.873 -8.308 3.878 1.00 0.00 H new ATOM 0 HG LEU A 26 9.845 -8.866 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.522 -6.588 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.854 -6.593 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.179 -5.975 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.213 -8.167 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.866 -7.551 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.747 -9.294 2.527 1.00 0.00 H new ATOM 425 N PHE A 27 6.525 -8.978 4.165 1.00 0.00 N ATOM 426 CA PHE A 27 5.577 -9.090 5.307 1.00 0.00 C ATOM 427 C PHE A 27 4.133 -9.068 4.806 1.00 0.00 C ATOM 428 O PHE A 27 3.206 -9.137 5.587 1.00 0.00 O ATOM 429 CB PHE A 27 5.840 -7.864 6.169 1.00 0.00 C ATOM 430 CG PHE A 27 6.765 -8.228 7.303 1.00 0.00 C ATOM 431 CD1 PHE A 27 8.092 -8.585 7.040 1.00 0.00 C ATOM 432 CD2 PHE A 27 6.292 -8.204 8.619 1.00 0.00 C ATOM 433 CE1 PHE A 27 8.948 -8.920 8.096 1.00 0.00 C ATOM 434 CE2 PHE A 27 7.146 -8.539 9.674 1.00 0.00 C ATOM 435 CZ PHE A 27 8.475 -8.897 9.414 1.00 0.00 C ATOM 0 H PHE A 27 6.305 -8.247 3.489 1.00 0.00 H new ATOM 0 HA PHE A 27 5.717 -10.021 5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.283 -7.072 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.901 -7.477 6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.456 -8.602 6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.268 -7.927 8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.972 -9.196 7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.781 -8.522 10.690 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.135 -9.155 10.229 1.00 0.00 H new ATOM 445 N LYS A 28 3.942 -8.975 3.509 1.00 0.00 N ATOM 446 CA LYS A 28 2.560 -8.944 2.917 1.00 0.00 C ATOM 447 C LYS A 28 1.988 -7.522 2.981 1.00 0.00 C ATOM 448 O LYS A 28 0.788 -7.319 2.905 1.00 0.00 O ATOM 449 CB LYS A 28 1.693 -9.909 3.741 1.00 0.00 C ATOM 450 CG LYS A 28 2.503 -11.155 4.116 1.00 0.00 C ATOM 451 CD LYS A 28 1.797 -12.406 3.590 1.00 0.00 C ATOM 452 CE LYS A 28 0.578 -12.711 4.462 1.00 0.00 C ATOM 453 NZ LYS A 28 -0.507 -13.054 3.502 1.00 0.00 N ATOM 0 H LYS A 28 4.696 -8.918 2.824 1.00 0.00 H new ATOM 0 HA LYS A 28 2.579 -9.244 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.338 -9.411 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.811 -10.197 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.507 -11.088 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.614 -11.216 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.488 -12.254 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.483 -13.253 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.777 -13.538 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.306 -11.851 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.377 -13.276 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.680 -12.246 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.223 -13.880 2.938 1.00 0.00 H new ATOM 467 N LEU A 29 2.839 -6.535 3.089 1.00 0.00 N ATOM 468 CA LEU A 29 2.346 -5.124 3.130 1.00 0.00 C ATOM 469 C LEU A 29 2.871 -4.383 1.907 1.00 0.00 C ATOM 470 O LEU A 29 3.633 -4.922 1.138 1.00 0.00 O ATOM 471 CB LEU A 29 2.907 -4.501 4.413 1.00 0.00 C ATOM 472 CG LEU A 29 2.322 -5.210 5.636 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.805 -5.311 5.495 1.00 0.00 C ATOM 474 CD2 LEU A 29 2.911 -6.612 5.747 1.00 0.00 C ATOM 0 H LEU A 29 3.851 -6.643 3.150 1.00 0.00 H new ATOM 0 HA LEU A 29 1.257 -5.071 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.994 -4.581 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.665 -3.439 4.448 1.00 0.00 H new ATOM 0 HG LEU A 29 2.568 -4.639 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.391 -5.816 6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.379 -4.310 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.560 -5.878 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.492 -7.114 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.668 -7.181 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.994 -6.544 5.852 1.00 0.00 H new ATOM 486 N CYS A 30 2.470 -3.163 1.705 1.00 0.00 N ATOM 487 CA CYS A 30 2.955 -2.430 0.509 1.00 0.00 C ATOM 488 C CYS A 30 4.103 -1.482 0.862 1.00 0.00 C ATOM 489 O CYS A 30 4.023 -0.700 1.787 1.00 0.00 O ATOM 490 CB CYS A 30 1.730 -1.672 -0.004 1.00 0.00 C ATOM 491 SG CYS A 30 1.541 -0.077 0.827 1.00 0.00 S ATOM 0 H CYS A 30 1.833 -2.645 2.310 1.00 0.00 H new ATOM 0 HA CYS A 30 3.362 -3.101 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.822 -1.515 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.835 -2.274 0.155 1.00 0.00 H new ATOM 496 N ASN A 31 5.170 -1.549 0.117 1.00 0.00 N ATOM 497 CA ASN A 31 6.328 -0.652 0.388 1.00 0.00 C ATOM 498 C ASN A 31 7.227 -0.570 -0.840 1.00 0.00 C ATOM 499 O ASN A 31 7.032 -1.263 -1.818 1.00 0.00 O ATOM 500 CB ASN A 31 7.073 -1.300 1.551 1.00 0.00 C ATOM 501 CG ASN A 31 8.392 -0.573 1.807 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.411 0.484 2.405 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.507 -1.096 1.374 1.00 0.00 N ATOM 0 H ASN A 31 5.291 -2.187 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 31 6.014 0.365 0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.455 -1.272 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.266 -2.350 1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.392 -0.617 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.493 -1.984 0.872 1.00 0.00 H new