USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=4 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 : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 12 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.8!) USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0634) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -0.127 (180deg=-1.3!) USER MOD Single : A 24 SER OG : rot -160:sc= -0.0511 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0502 F(o=-1.8,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.488 4.544 -1.782 1.00 0.00 N ATOM 11 CA CYS A 2 -5.445 3.498 -1.598 1.00 0.00 C ATOM 12 C CYS A 2 -5.139 3.299 -0.112 1.00 0.00 C ATOM 13 O CYS A 2 -5.875 3.735 0.751 1.00 0.00 O ATOM 14 CB CYS A 2 -4.216 4.034 -2.327 1.00 0.00 C ATOM 15 SG CYS A 2 -3.786 5.666 -1.673 1.00 0.00 S ATOM 0 HA CYS A 2 -5.764 2.530 -1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.378 3.348 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.415 4.101 -3.397 1.00 0.00 H new ATOM 20 N LEU A 3 -4.059 2.633 0.187 1.00 0.00 N ATOM 21 CA LEU A 3 -3.695 2.388 1.610 1.00 0.00 C ATOM 22 C LEU A 3 -2.537 3.302 2.035 1.00 0.00 C ATOM 23 O LEU A 3 -2.488 4.462 1.679 1.00 0.00 O ATOM 24 CB LEU A 3 -3.271 0.921 1.642 1.00 0.00 C ATOM 25 CG LEU A 3 -4.467 0.038 1.292 1.00 0.00 C ATOM 26 CD1 LEU A 3 -4.430 -0.304 -0.196 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.398 -1.252 2.110 1.00 0.00 C ATOM 0 H LEU A 3 -3.409 2.246 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.516 2.597 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.460 0.750 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.891 0.662 2.631 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.391 0.569 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.284 -0.934 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.473 0.614 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.507 -0.837 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.250 -1.885 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.474 -1.781 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.421 -1.011 3.173 1.00 0.00 H new ATOM 39 N GLU A 4 -1.607 2.790 2.798 1.00 0.00 N ATOM 40 CA GLU A 4 -0.461 3.627 3.250 1.00 0.00 C ATOM 41 C GLU A 4 0.842 3.125 2.630 1.00 0.00 C ATOM 42 O GLU A 4 0.840 2.359 1.688 1.00 0.00 O ATOM 43 CB GLU A 4 -0.427 3.455 4.770 1.00 0.00 C ATOM 44 CG GLU A 4 0.207 4.688 5.417 1.00 0.00 C ATOM 45 CD GLU A 4 1.432 4.267 6.231 1.00 0.00 C ATOM 46 OE1 GLU A 4 1.353 3.251 6.902 1.00 0.00 O ATOM 47 OE2 GLU A 4 2.429 4.968 6.171 1.00 0.00 O ATOM 0 H GLU A 4 -1.594 1.825 3.128 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.571 4.670 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.438 3.312 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.142 2.563 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.497 5.406 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.517 5.186 6.062 1.00 0.00 H new ATOM 54 N PHE A 5 1.953 3.555 3.155 1.00 0.00 N ATOM 55 CA PHE A 5 3.265 3.110 2.605 1.00 0.00 C ATOM 56 C PHE A 5 3.602 1.703 3.120 1.00 0.00 C ATOM 57 O PHE A 5 4.654 1.168 2.835 1.00 0.00 O ATOM 58 CB PHE A 5 4.268 4.158 3.121 1.00 0.00 C ATOM 59 CG PHE A 5 5.618 3.526 3.384 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.900 2.982 4.644 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.584 3.484 2.373 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.147 2.398 4.891 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.832 2.900 2.620 1.00 0.00 C ATOM 64 CZ PHE A 5 8.114 2.356 3.879 1.00 0.00 C ATOM 0 H PHE A 5 2.011 4.198 3.945 1.00 0.00 H new ATOM 0 HA PHE A 5 3.275 3.044 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.373 4.959 2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.889 4.611 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.154 3.014 5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.367 3.902 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.364 1.979 5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.578 2.869 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.076 1.904 4.069 1.00 0.00 H new ATOM 74 N TRP A 6 2.727 1.108 3.887 1.00 0.00 N ATOM 75 CA TRP A 6 3.014 -0.257 4.422 1.00 0.00 C ATOM 76 C TRP A 6 1.726 -0.928 4.905 1.00 0.00 C ATOM 77 O TRP A 6 1.647 -1.405 6.019 1.00 0.00 O ATOM 78 CB TRP A 6 3.965 -0.009 5.591 1.00 0.00 C ATOM 79 CG TRP A 6 4.581 -1.293 6.040 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.622 -1.722 7.322 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.251 -2.313 5.245 1.00 0.00 C ATOM 82 NE1 TRP A 6 5.275 -2.940 7.365 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.682 -3.347 6.110 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.523 -2.442 3.871 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.361 -4.465 5.630 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.206 -3.569 3.384 1.00 0.00 C ATOM 87 CH2 TRP A 6 6.625 -4.578 4.262 1.00 0.00 C ATOM 0 H TRP A 6 1.830 1.505 4.166 1.00 0.00 H new ATOM 0 HA TRP A 6 3.441 -0.920 3.670 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.745 0.691 5.292 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.424 0.451 6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.212 -1.199 8.173 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.436 -3.473 8.220 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.205 -1.670 3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.681 -5.240 6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.409 -3.658 2.327 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.151 -5.441 3.882 1.00 0.00 H new ATOM 98 N TRP A 7 0.722 -0.985 4.076 1.00 0.00 N ATOM 99 CA TRP A 7 -0.546 -1.644 4.498 1.00 0.00 C ATOM 100 C TRP A 7 -0.693 -2.956 3.731 1.00 0.00 C ATOM 101 O TRP A 7 0.088 -3.240 2.848 1.00 0.00 O ATOM 102 CB TRP A 7 -1.653 -0.653 4.137 1.00 0.00 C ATOM 103 CG TRP A 7 -1.849 0.301 5.277 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.023 0.410 6.344 1.00 0.00 C ATOM 105 CD2 TRP A 7 -2.914 1.276 5.484 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.512 1.386 7.192 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.676 1.950 6.707 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.053 1.639 4.740 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.535 2.945 7.175 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -4.920 2.641 5.209 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.660 3.293 6.423 1.00 0.00 C ATOM 0 H TRP A 7 0.723 -0.606 3.129 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.578 -1.884 5.561 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.388 -0.107 3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.581 -1.185 3.929 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.127 -0.171 6.506 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.067 1.657 8.069 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.262 1.144 3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.332 3.443 8.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.792 2.910 4.631 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.329 4.064 6.776 1.00 0.00 H new ATOM 122 N LYS A 8 -1.664 -3.769 4.057 1.00 0.00 N ATOM 123 CA LYS A 8 -1.806 -5.063 3.318 1.00 0.00 C ATOM 124 C LYS A 8 -1.585 -4.813 1.828 1.00 0.00 C ATOM 125 O LYS A 8 -1.900 -3.759 1.314 1.00 0.00 O ATOM 126 CB LYS A 8 -3.233 -5.574 3.542 1.00 0.00 C ATOM 127 CG LYS A 8 -3.717 -5.270 4.964 1.00 0.00 C ATOM 128 CD LYS A 8 -2.633 -5.663 5.971 1.00 0.00 C ATOM 129 CE LYS A 8 -2.573 -7.187 6.080 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.818 -7.476 7.520 1.00 0.00 N ATOM 0 H LYS A 8 -2.354 -3.600 4.789 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.078 -5.794 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.905 -5.110 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.268 -6.649 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.950 -4.210 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.636 -5.818 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.667 -5.271 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.850 -5.225 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.326 -7.659 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.604 -7.569 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.793 -8.504 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.082 -7.019 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.751 -7.107 7.794 1.00 0.00 H new ATOM 144 N CYS A 9 -1.043 -5.764 1.134 1.00 0.00 N ATOM 145 CA CYS A 9 -0.801 -5.563 -0.323 1.00 0.00 C ATOM 146 C CYS A 9 -1.118 -6.840 -1.099 1.00 0.00 C ATOM 147 O CYS A 9 -1.055 -7.933 -0.571 1.00 0.00 O ATOM 148 CB CYS A 9 0.684 -5.211 -0.438 1.00 0.00 C ATOM 149 SG CYS A 9 1.690 -6.690 -0.157 1.00 0.00 S ATOM 0 H CYS A 9 -0.756 -6.670 1.505 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.435 -4.780 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.894 -4.800 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.942 -4.441 0.289 1.00 0.00 H new ATOM 154 N ASN A 10 -1.461 -6.708 -2.348 1.00 0.00 N ATOM 155 CA ASN A 10 -1.786 -7.911 -3.159 1.00 0.00 C ATOM 156 C ASN A 10 -1.309 -7.719 -4.602 1.00 0.00 C ATOM 157 O ASN A 10 -1.754 -6.820 -5.288 1.00 0.00 O ATOM 158 CB ASN A 10 -3.310 -8.015 -3.104 1.00 0.00 C ATOM 159 CG ASN A 10 -3.722 -9.488 -3.048 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.234 -10.297 -3.810 1.00 0.00 O ATOM 161 ND2 ASN A 10 -4.608 -9.869 -2.168 1.00 0.00 N ATOM 0 H ASN A 10 -1.530 -5.819 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.300 -8.812 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.689 -7.487 -2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.749 -7.537 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.891 -10.848 -2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.017 -9.188 -1.528 1.00 0.00 H new ATOM 168 N PRO A 11 -0.419 -8.581 -5.019 1.00 0.00 N ATOM 169 CA PRO A 11 0.121 -8.512 -6.399 1.00 0.00 C ATOM 170 C PRO A 11 -0.980 -8.845 -7.408 1.00 0.00 C ATOM 171 O PRO A 11 -0.915 -8.471 -8.563 1.00 0.00 O ATOM 172 CB PRO A 11 1.226 -9.568 -6.404 1.00 0.00 C ATOM 173 CG PRO A 11 0.851 -10.515 -5.312 1.00 0.00 C ATOM 174 CD PRO A 11 0.158 -9.693 -4.258 1.00 0.00 C ATOM 0 HA PRO A 11 0.493 -7.526 -6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.283 -10.076 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.203 -9.120 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.194 -11.300 -5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.734 -11.006 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.611 -10.268 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.857 -9.341 -3.499 1.00 0.00 H new ATOM 182 N ASN A 12 -2.002 -9.529 -6.973 1.00 0.00 N ATOM 183 CA ASN A 12 -3.122 -9.870 -7.897 1.00 0.00 C ATOM 184 C ASN A 12 -4.088 -8.685 -7.969 1.00 0.00 C ATOM 185 O ASN A 12 -4.639 -8.376 -9.007 1.00 0.00 O ATOM 186 CB ASN A 12 -3.803 -11.086 -7.265 1.00 0.00 C ATOM 187 CG ASN A 12 -4.555 -11.868 -8.342 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.306 -11.699 -9.519 1.00 0.00 O ATOM 189 ND2 ASN A 12 -5.475 -12.725 -7.988 1.00 0.00 N ATOM 0 H ASN A 12 -2.111 -9.867 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.787 -10.084 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.060 -11.725 -6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.494 -10.765 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.983 -13.251 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.686 -12.868 -7.000 1.00 0.00 H new ATOM 196 N ASP A 13 -4.281 -8.015 -6.866 1.00 0.00 N ATOM 197 CA ASP A 13 -5.195 -6.838 -6.847 1.00 0.00 C ATOM 198 C ASP A 13 -4.515 -5.676 -6.114 1.00 0.00 C ATOM 199 O ASP A 13 -5.035 -5.143 -5.156 1.00 0.00 O ATOM 200 CB ASP A 13 -6.434 -7.309 -6.082 1.00 0.00 C ATOM 201 CG ASP A 13 -7.617 -7.421 -7.046 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.379 -7.669 -8.217 1.00 0.00 O ATOM 203 OD2 ASP A 13 -8.739 -7.258 -6.598 1.00 0.00 O ATOM 0 H ASP A 13 -3.842 -8.234 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.451 -6.486 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.240 -8.274 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.669 -6.607 -5.281 1.00 0.00 H new ATOM 208 N ASP A 14 -3.348 -5.292 -6.561 1.00 0.00 N ATOM 209 CA ASP A 14 -2.612 -4.174 -5.898 1.00 0.00 C ATOM 210 C ASP A 14 -3.577 -3.061 -5.481 1.00 0.00 C ATOM 211 O ASP A 14 -4.581 -2.824 -6.120 1.00 0.00 O ATOM 212 CB ASP A 14 -1.636 -3.660 -6.958 1.00 0.00 C ATOM 213 CG ASP A 14 -0.226 -4.165 -6.645 1.00 0.00 C ATOM 214 OD1 ASP A 14 0.159 -4.108 -5.488 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.446 -4.599 -7.566 1.00 0.00 O ATOM 0 H ASP A 14 -2.870 -5.707 -7.361 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.104 -4.504 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.944 -4.001 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.647 -2.570 -6.979 1.00 0.00 H new ATOM 220 N LYS A 15 -3.275 -2.376 -4.410 1.00 0.00 N ATOM 221 CA LYS A 15 -4.174 -1.279 -3.952 1.00 0.00 C ATOM 222 C LYS A 15 -3.370 -0.141 -3.307 1.00 0.00 C ATOM 223 O LYS A 15 -3.764 1.007 -3.361 1.00 0.00 O ATOM 224 CB LYS A 15 -5.109 -1.926 -2.930 1.00 0.00 C ATOM 225 CG LYS A 15 -6.456 -1.197 -2.937 1.00 0.00 C ATOM 226 CD LYS A 15 -7.594 -2.220 -2.931 1.00 0.00 C ATOM 227 CE LYS A 15 -8.628 -1.829 -1.873 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.362 -0.673 -2.460 1.00 0.00 N ATOM 0 H LYS A 15 -2.447 -2.529 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.722 -0.834 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.253 -2.980 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.665 -1.882 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.533 -0.547 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.531 -0.560 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.063 -2.264 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.201 -3.215 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.303 -2.657 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.148 -1.556 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.308 0.138 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.933 -0.416 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.358 -0.933 -2.607 1.00 0.00 H new ATOM 242 N CYS A 16 -2.252 -0.442 -2.692 1.00 0.00 N ATOM 243 CA CYS A 16 -1.444 0.639 -2.047 1.00 0.00 C ATOM 244 C CYS A 16 -1.397 1.871 -2.954 1.00 0.00 C ATOM 245 O CYS A 16 -1.487 1.767 -4.161 1.00 0.00 O ATOM 246 CB CYS A 16 -0.038 0.058 -1.862 1.00 0.00 C ATOM 247 SG CYS A 16 0.940 1.188 -0.835 1.00 0.00 S ATOM 0 H CYS A 16 -1.866 -1.383 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.874 0.952 -1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.096 -0.923 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.442 -0.081 -2.831 1.00 0.00 H new ATOM 252 N CYS A 17 -1.262 3.035 -2.383 1.00 0.00 N ATOM 253 CA CYS A 17 -1.218 4.271 -3.216 1.00 0.00 C ATOM 254 C CYS A 17 -0.176 4.113 -4.323 1.00 0.00 C ATOM 255 O CYS A 17 0.479 3.095 -4.426 1.00 0.00 O ATOM 256 CB CYS A 17 -0.824 5.389 -2.250 1.00 0.00 C ATOM 257 SG CYS A 17 -1.963 5.405 -0.841 1.00 0.00 S ATOM 0 H CYS A 17 -1.180 3.185 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.170 4.481 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.198 5.239 -1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.849 6.351 -2.762 1.00 0.00 H new ATOM 262 N ARG A 18 -0.013 5.105 -5.154 1.00 0.00 N ATOM 263 CA ARG A 18 0.993 4.986 -6.249 1.00 0.00 C ATOM 264 C ARG A 18 2.208 5.918 -6.048 1.00 0.00 C ATOM 265 O ARG A 18 2.895 6.211 -7.006 1.00 0.00 O ATOM 266 CB ARG A 18 0.237 5.377 -7.519 1.00 0.00 C ATOM 267 CG ARG A 18 -0.566 6.656 -7.269 1.00 0.00 C ATOM 268 CD ARG A 18 -2.023 6.293 -6.967 1.00 0.00 C ATOM 269 NE ARG A 18 -2.750 6.521 -8.245 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.055 6.544 -8.257 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.698 7.427 -7.543 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.717 5.683 -8.981 1.00 0.00 N ATOM 0 H ARG A 18 -0.527 5.986 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 18 1.404 3.977 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.939 5.531 -8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.431 4.570 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.137 7.210 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.516 7.306 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.112 5.256 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.427 6.914 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.229 6.659 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.181 8.099 -6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.718 7.445 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.215 4.992 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.737 5.701 -8.990 1.00 0.00 H new ATOM 286 N PRO A 19 2.471 6.351 -4.829 1.00 0.00 N ATOM 287 CA PRO A 19 3.644 7.229 -4.603 1.00 0.00 C ATOM 288 C PRO A 19 4.926 6.390 -4.590 1.00 0.00 C ATOM 289 O PRO A 19 5.718 6.470 -3.673 1.00 0.00 O ATOM 290 CB PRO A 19 3.386 7.836 -3.230 1.00 0.00 C ATOM 291 CG PRO A 19 2.502 6.856 -2.528 1.00 0.00 C ATOM 292 CD PRO A 19 1.739 6.091 -3.582 1.00 0.00 C ATOM 0 HA PRO A 19 3.771 7.986 -5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.318 7.987 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.905 8.810 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.095 6.176 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.815 7.372 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.709 5.025 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.706 6.432 -3.650 1.00 0.00 H new ATOM 300 N LYS A 20 5.127 5.581 -5.598 1.00 0.00 N ATOM 301 CA LYS A 20 6.347 4.722 -5.658 1.00 0.00 C ATOM 302 C LYS A 20 6.259 3.587 -4.631 1.00 0.00 C ATOM 303 O LYS A 20 7.225 3.258 -3.973 1.00 0.00 O ATOM 304 CB LYS A 20 7.527 5.644 -5.337 1.00 0.00 C ATOM 305 CG LYS A 20 7.349 6.978 -6.064 1.00 0.00 C ATOM 306 CD LYS A 20 8.715 7.641 -6.244 1.00 0.00 C ATOM 307 CE LYS A 20 8.528 9.101 -6.664 1.00 0.00 C ATOM 308 NZ LYS A 20 9.094 9.179 -8.040 1.00 0.00 N ATOM 0 H LYS A 20 4.492 5.478 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 20 6.458 4.257 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.590 5.810 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.462 5.174 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.879 6.817 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.687 7.630 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.280 7.590 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.293 7.107 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.475 9.384 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.047 9.777 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.003 10.151 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.099 8.911 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.576 8.530 -8.666 1.00 0.00 H new ATOM 322 N LEU A 21 5.112 2.976 -4.498 1.00 0.00 N ATOM 323 CA LEU A 21 4.980 1.853 -3.523 1.00 0.00 C ATOM 324 C LEU A 21 4.624 0.561 -4.261 1.00 0.00 C ATOM 325 O LEU A 21 4.164 0.583 -5.386 1.00 0.00 O ATOM 326 CB LEU A 21 3.835 2.244 -2.585 1.00 0.00 C ATOM 327 CG LEU A 21 3.968 3.710 -2.172 1.00 0.00 C ATOM 328 CD1 LEU A 21 2.953 4.018 -1.070 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.382 3.972 -1.648 1.00 0.00 C ATOM 0 H LEU A 21 4.265 3.204 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 21 5.909 1.683 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.878 2.084 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.846 1.607 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 21 3.779 4.348 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.045 5.063 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.945 3.834 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.145 3.378 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.473 5.018 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.574 3.335 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.107 3.750 -2.431 1.00 0.00 H new ATOM 341 N LYS A 22 4.821 -0.563 -3.634 1.00 0.00 N ATOM 342 CA LYS A 22 4.482 -1.849 -4.289 1.00 0.00 C ATOM 343 C LYS A 22 4.365 -2.962 -3.245 1.00 0.00 C ATOM 344 O LYS A 22 5.182 -3.079 -2.354 1.00 0.00 O ATOM 345 CB LYS A 22 5.633 -2.127 -5.255 1.00 0.00 C ATOM 346 CG LYS A 22 5.143 -1.944 -6.692 1.00 0.00 C ATOM 347 CD LYS A 22 5.931 -2.868 -7.622 1.00 0.00 C ATOM 348 CE LYS A 22 5.726 -2.428 -9.074 1.00 0.00 C ATOM 349 NZ LYS A 22 4.260 -2.194 -9.200 1.00 0.00 N ATOM 0 H LYS A 22 5.204 -0.644 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 22 3.525 -1.805 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.464 -1.451 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.006 -3.141 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.078 -2.169 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.269 -0.906 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.991 -2.839 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.601 -3.899 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.291 -1.523 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.065 -3.195 -9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.980 -2.274 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.746 -2.902 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.029 -1.242 -8.851 1.00 0.00 H new ATOM 363 N CYS A 23 3.353 -3.779 -3.348 1.00 0.00 N ATOM 364 CA CYS A 23 3.184 -4.885 -2.361 1.00 0.00 C ATOM 365 C CYS A 23 4.534 -5.545 -2.065 1.00 0.00 C ATOM 366 O CYS A 23 5.378 -5.676 -2.930 1.00 0.00 O ATOM 367 CB CYS A 23 2.240 -5.883 -3.033 1.00 0.00 C ATOM 368 SG CYS A 23 2.108 -7.375 -2.013 1.00 0.00 S ATOM 0 H CYS A 23 2.636 -3.729 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 23 2.789 -4.527 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.256 -5.434 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.612 -6.140 -4.025 1.00 0.00 H new ATOM 373 N SER A 24 4.739 -5.959 -0.847 1.00 0.00 N ATOM 374 CA SER A 24 6.024 -6.614 -0.478 1.00 0.00 C ATOM 375 C SER A 24 5.745 -7.951 0.212 1.00 0.00 C ATOM 376 O SER A 24 5.084 -8.009 1.236 1.00 0.00 O ATOM 377 CB SER A 24 6.703 -5.642 0.486 1.00 0.00 C ATOM 378 OG SER A 24 7.804 -5.026 -0.169 1.00 0.00 O ATOM 0 H SER A 24 4.066 -5.871 -0.085 1.00 0.00 H new ATOM 0 HA SER A 24 6.649 -6.824 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.993 -4.885 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.044 -6.172 1.375 1.00 0.00 H new ATOM 0 HG SER A 24 8.420 -4.661 0.500 1.00 0.00 H new ATOM 384 N LYS A 25 6.241 -9.023 -0.350 1.00 0.00 N ATOM 385 CA LYS A 25 6.012 -10.368 0.252 1.00 0.00 C ATOM 386 C LYS A 25 6.594 -10.426 1.663 1.00 0.00 C ATOM 387 O LYS A 25 6.184 -11.231 2.477 1.00 0.00 O ATOM 388 CB LYS A 25 6.750 -11.340 -0.669 1.00 0.00 C ATOM 389 CG LYS A 25 8.185 -10.853 -0.880 1.00 0.00 C ATOM 390 CD LYS A 25 8.382 -10.464 -2.347 1.00 0.00 C ATOM 391 CE LYS A 25 9.661 -11.112 -2.881 1.00 0.00 C ATOM 392 NZ LYS A 25 10.629 -9.988 -3.033 1.00 0.00 N ATOM 0 H LYS A 25 6.798 -9.023 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 25 4.952 -10.606 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.754 -12.339 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.235 -11.412 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.388 -9.998 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.891 -11.636 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.525 -10.786 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.445 -9.380 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.038 -11.867 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.483 -11.611 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.532 -10.354 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.246 -9.288 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.785 -9.537 -2.109 1.00 0.00 H new ATOM 406 N LEU A 26 7.544 -9.580 1.961 1.00 0.00 N ATOM 407 CA LEU A 26 8.149 -9.589 3.322 1.00 0.00 C ATOM 408 C LEU A 26 7.057 -9.767 4.377 1.00 0.00 C ATOM 409 O LEU A 26 6.807 -10.861 4.845 1.00 0.00 O ATOM 410 CB LEU A 26 8.816 -8.222 3.463 1.00 0.00 C ATOM 411 CG LEU A 26 10.090 -8.185 2.619 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.172 -6.851 1.875 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.308 -8.335 3.532 1.00 0.00 C ATOM 0 H LEU A 26 7.926 -8.884 1.320 1.00 0.00 H new ATOM 0 HA LEU A 26 8.860 -10.404 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.132 -7.437 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.054 -8.028 4.509 1.00 0.00 H new ATOM 0 HG LEU A 26 10.072 -9.002 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.081 -6.825 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.303 -6.743 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.190 -6.033 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.218 -8.309 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.325 -7.518 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.250 -9.285 4.062 1.00 0.00 H new ATOM 425 N PHE A 27 6.401 -8.706 4.752 1.00 0.00 N ATOM 426 CA PHE A 27 5.322 -8.826 5.770 1.00 0.00 C ATOM 427 C PHE A 27 3.955 -8.826 5.089 1.00 0.00 C ATOM 428 O PHE A 27 2.931 -8.716 5.733 1.00 0.00 O ATOM 429 CB PHE A 27 5.459 -7.592 6.649 1.00 0.00 C ATOM 430 CG PHE A 27 6.529 -7.814 7.689 1.00 0.00 C ATOM 431 CD1 PHE A 27 7.469 -8.838 7.527 1.00 0.00 C ATOM 432 CD2 PHE A 27 6.582 -6.988 8.816 1.00 0.00 C ATOM 433 CE1 PHE A 27 8.460 -9.039 8.490 1.00 0.00 C ATOM 434 CE2 PHE A 27 7.574 -7.187 9.782 1.00 0.00 C ATOM 435 CZ PHE A 27 8.514 -8.212 9.619 1.00 0.00 C ATOM 0 H PHE A 27 6.564 -7.763 4.399 1.00 0.00 H new ATOM 0 HA PHE A 27 5.405 -9.750 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.710 -6.726 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.508 -7.374 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.428 -9.474 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.857 -6.197 8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.184 -9.831 8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.615 -6.550 10.653 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.281 -8.365 10.364 1.00 0.00 H new ATOM 445 N LYS A 28 3.931 -8.952 3.788 1.00 0.00 N ATOM 446 CA LYS A 28 2.628 -8.964 3.057 1.00 0.00 C ATOM 447 C LYS A 28 2.019 -7.557 3.035 1.00 0.00 C ATOM 448 O LYS A 28 0.815 -7.388 3.094 1.00 0.00 O ATOM 449 CB LYS A 28 1.718 -9.932 3.833 1.00 0.00 C ATOM 450 CG LYS A 28 2.539 -11.102 4.394 1.00 0.00 C ATOM 451 CD LYS A 28 1.882 -12.427 4.006 1.00 0.00 C ATOM 452 CE LYS A 28 2.956 -13.405 3.525 1.00 0.00 C ATOM 453 NZ LYS A 28 2.750 -13.510 2.054 1.00 0.00 N ATOM 0 H LYS A 28 4.758 -9.047 3.199 1.00 0.00 H new ATOM 0 HA LYS A 28 2.751 -9.278 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.223 -9.403 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.935 -10.311 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.557 -11.063 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.608 -11.023 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.350 -12.846 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.145 -12.264 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.956 -13.039 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.851 -14.376 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.451 -14.165 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.792 -13.867 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.863 -12.572 1.620 1.00 0.00 H new ATOM 467 N LEU A 29 2.840 -6.545 2.934 1.00 0.00 N ATOM 468 CA LEU A 29 2.300 -5.149 2.893 1.00 0.00 C ATOM 469 C LEU A 29 2.933 -4.386 1.735 1.00 0.00 C ATOM 470 O LEU A 29 3.830 -4.871 1.082 1.00 0.00 O ATOM 471 CB LEU A 29 2.679 -4.503 4.230 1.00 0.00 C ATOM 472 CG LEU A 29 2.132 -5.353 5.380 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.231 -5.580 6.416 1.00 0.00 C ATOM 474 CD2 LEU A 29 0.958 -4.624 6.039 1.00 0.00 C ATOM 0 H LEU A 29 3.856 -6.621 2.878 1.00 0.00 H new ATOM 0 HA LEU A 29 1.220 -5.138 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.763 -4.417 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.274 -3.493 4.286 1.00 0.00 H new ATOM 0 HG LEU A 29 1.795 -6.314 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.840 -6.185 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.069 -6.098 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.569 -4.619 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.568 -5.228 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.298 -3.664 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.172 -4.460 5.302 1.00 0.00 H new ATOM 486 N CYS A 30 2.465 -3.202 1.464 1.00 0.00 N ATOM 487 CA CYS A 30 3.036 -2.430 0.334 1.00 0.00 C ATOM 488 C CYS A 30 4.199 -1.551 0.794 1.00 0.00 C ATOM 489 O CYS A 30 4.076 -0.747 1.692 1.00 0.00 O ATOM 490 CB CYS A 30 1.860 -1.605 -0.207 1.00 0.00 C ATOM 491 SG CYS A 30 1.727 0.008 0.603 1.00 0.00 S ATOM 0 H CYS A 30 1.714 -2.738 1.975 1.00 0.00 H new ATOM 0 HA CYS A 30 3.460 -3.073 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.982 -1.462 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.933 -2.160 -0.063 1.00 0.00 H new ATOM 496 N ASN A 31 5.332 -1.699 0.173 1.00 0.00 N ATOM 497 CA ASN A 31 6.505 -0.870 0.559 1.00 0.00 C ATOM 498 C ASN A 31 6.744 0.198 -0.509 1.00 0.00 C ATOM 499 O ASN A 31 5.815 0.792 -1.021 1.00 0.00 O ATOM 500 CB ASN A 31 7.683 -1.844 0.621 1.00 0.00 C ATOM 501 CG ASN A 31 8.728 -1.323 1.612 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.720 -0.062 1.953 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 9.564 -2.071 2.078 1.00 0.00 N flip ATOM 0 H ASN A 31 5.498 -2.359 -0.587 1.00 0.00 H new ATOM 0 HA ASN A 31 6.362 -0.356 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.336 -2.831 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.128 -1.956 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.572 -3.056 1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.258 -1.714 2.735 1.00 0.00 H new