USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 250 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 2 SER OG : rot 180:sc= -0.435 USER MOD Set 1.2: A 4 SER OG : rot 88:sc= 0.464 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 137:sc= 0.03 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.538 F(o=-1.6,f=-0.54) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -19.970 2.216 -2.452 1.00 0.00 N ATOM 2 CA HIS A 1 -20.862 2.950 -3.400 1.00 0.00 C ATOM 3 C HIS A 1 -21.378 1.995 -4.483 1.00 0.00 C ATOM 4 O HIS A 1 -20.666 1.113 -4.920 1.00 0.00 O ATOM 5 CB HIS A 1 -19.985 4.042 -4.024 1.00 0.00 C ATOM 6 CG HIS A 1 -19.973 5.253 -3.131 1.00 0.00 C ATOM 7 ND1 HIS A 1 -18.828 5.673 -2.470 1.00 0.00 N ATOM 8 CD2 HIS A 1 -20.956 6.146 -2.780 1.00 0.00 C ATOM 9 CE1 HIS A 1 -19.148 6.772 -1.762 1.00 0.00 C ATOM 10 NE2 HIS A 1 -20.433 7.103 -1.916 1.00 0.00 N ATOM 0 H1 HIS A 1 -19.134 2.798 -2.241 1.00 0.00 H new ATOM 0 H2 HIS A 1 -20.486 2.020 -1.571 1.00 0.00 H new ATOM 0 H3 HIS A 1 -19.668 1.319 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 1 -21.734 3.371 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -18.970 3.671 -4.164 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -20.366 4.309 -5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -21.980 6.111 -3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -18.451 7.319 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -20.925 7.889 -1.491 1.00 0.00 H new ATOM 17 N SER A 2 -22.613 2.174 -4.910 1.00 0.00 N ATOM 18 CA SER A 2 -23.222 1.294 -5.971 1.00 0.00 C ATOM 19 C SER A 2 -22.820 -0.182 -5.790 1.00 0.00 C ATOM 20 O SER A 2 -22.482 -0.858 -6.744 1.00 0.00 O ATOM 21 CB SER A 2 -22.706 1.847 -7.309 1.00 0.00 C ATOM 22 OG SER A 2 -21.285 1.759 -7.360 1.00 0.00 O ATOM 0 H SER A 2 -23.234 2.904 -4.562 1.00 0.00 H new ATOM 0 HA SER A 2 -24.311 1.310 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.143 1.287 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.018 2.885 -7.427 1.00 0.00 H new ATOM 0 HG SER A 2 -20.966 2.112 -8.217 1.00 0.00 H new ATOM 28 N VAL A 3 -22.862 -0.680 -4.571 1.00 0.00 N ATOM 29 CA VAL A 3 -22.487 -2.111 -4.306 1.00 0.00 C ATOM 30 C VAL A 3 -21.165 -2.467 -5.014 1.00 0.00 C ATOM 31 O VAL A 3 -21.009 -3.543 -5.560 1.00 0.00 O ATOM 32 CB VAL A 3 -23.655 -2.950 -4.857 1.00 0.00 C ATOM 33 CG1 VAL A 3 -23.490 -4.411 -4.428 1.00 0.00 C ATOM 34 CG2 VAL A 3 -24.982 -2.416 -4.307 1.00 0.00 C ATOM 0 H VAL A 3 -23.142 -0.152 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 3 -22.326 -2.300 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.655 -2.884 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.318 -5.001 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -22.550 -4.801 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -23.484 -4.472 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.805 -3.013 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.976 -2.478 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.110 -1.377 -4.611 1.00 0.00 H new ATOM 44 N SER A 4 -20.213 -1.564 -5.009 1.00 0.00 N ATOM 45 CA SER A 4 -18.906 -1.845 -5.678 1.00 0.00 C ATOM 46 C SER A 4 -18.028 -2.704 -4.772 1.00 0.00 C ATOM 47 O SER A 4 -17.838 -3.880 -5.013 1.00 0.00 O ATOM 48 CB SER A 4 -18.266 -0.475 -5.922 1.00 0.00 C ATOM 49 OG SER A 4 -18.836 0.111 -7.084 1.00 0.00 O ATOM 0 H SER A 4 -20.286 -0.646 -4.571 1.00 0.00 H new ATOM 0 HA SER A 4 -19.032 -2.395 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.425 0.172 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.188 -0.581 -6.046 1.00 0.00 H new ATOM 0 HG SER A 4 -19.640 0.614 -6.836 1.00 0.00 H new ATOM 55 N HIS A 5 -17.499 -2.124 -3.731 1.00 0.00 N ATOM 56 CA HIS A 5 -16.630 -2.900 -2.792 1.00 0.00 C ATOM 57 C HIS A 5 -16.695 -2.307 -1.383 1.00 0.00 C ATOM 58 O HIS A 5 -17.326 -2.858 -0.503 1.00 0.00 O ATOM 59 CB HIS A 5 -15.214 -2.792 -3.371 1.00 0.00 C ATOM 60 CG HIS A 5 -14.867 -4.065 -4.094 1.00 0.00 C ATOM 61 ND1 HIS A 5 -15.007 -5.387 -3.747 1.00 0.00 N flip ATOM 62 CD2 HIS A 5 -14.290 -4.066 -5.354 1.00 0.00 C flip ATOM 63 CE1 HIS A 5 -14.526 -6.195 -4.773 1.00 0.00 C flip ATOM 64 NE2 HIS A 5 -14.105 -5.349 -5.716 1.00 0.00 N flip ATOM 0 H HIS A 5 -17.630 -1.142 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.949 -3.938 -2.702 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -15.153 -1.945 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.496 -2.608 -2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -14.035 -3.195 -5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.499 -7.274 -4.800 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -13.693 -5.640 -6.603 1.00 0.00 H new ATOM 72 N ALA A 6 -16.041 -1.192 -1.170 1.00 0.00 N ATOM 73 CA ALA A 6 -16.039 -0.538 0.183 1.00 0.00 C ATOM 74 C ALA A 6 -15.690 -1.562 1.276 1.00 0.00 C ATOM 75 O ALA A 6 -16.442 -1.765 2.213 1.00 0.00 O ATOM 76 CB ALA A 6 -17.460 0.000 0.373 1.00 0.00 C ATOM 0 H ALA A 6 -15.501 -0.699 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 6 -15.295 0.256 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -17.536 0.493 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -17.687 0.716 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -18.170 -0.825 0.329 1.00 0.00 H new ATOM 82 N ARG A 7 -14.553 -2.208 1.156 1.00 0.00 N ATOM 83 CA ARG A 7 -14.145 -3.227 2.179 1.00 0.00 C ATOM 84 C ARG A 7 -12.710 -3.727 1.913 1.00 0.00 C ATOM 85 O ARG A 7 -11.861 -3.615 2.776 1.00 0.00 O ATOM 86 CB ARG A 7 -15.154 -4.376 2.042 1.00 0.00 C ATOM 87 CG ARG A 7 -15.796 -4.660 3.403 1.00 0.00 C ATOM 88 CD ARG A 7 -16.987 -5.611 3.226 1.00 0.00 C ATOM 89 NE ARG A 7 -16.392 -6.904 2.777 1.00 0.00 N ATOM 90 CZ ARG A 7 -16.934 -7.567 1.788 1.00 0.00 C ATOM 91 NH1 ARG A 7 -17.058 -7.002 0.615 1.00 0.00 N ATOM 92 NH2 ARG A 7 -17.349 -8.794 1.974 1.00 0.00 N ATOM 0 H ARG A 7 -13.889 -2.074 0.393 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.146 -2.808 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.922 -4.114 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.654 -5.270 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.062 -5.103 4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.128 -3.728 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.535 -5.733 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.693 -5.226 2.490 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.562 -7.271 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -16.732 -6.046 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.480 -7.517 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -17.250 -9.233 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.772 -9.312 1.204 1.00 0.00 H new ATOM 106 N PRO A 8 -12.481 -4.269 0.728 1.00 0.00 N ATOM 107 CA PRO A 8 -11.126 -4.786 0.378 1.00 0.00 C ATOM 108 C PRO A 8 -10.117 -3.637 0.207 1.00 0.00 C ATOM 109 O PRO A 8 -10.394 -2.498 0.539 1.00 0.00 O ATOM 110 CB PRO A 8 -11.352 -5.524 -0.940 1.00 0.00 C ATOM 111 CG PRO A 8 -12.570 -4.897 -1.531 1.00 0.00 C ATOM 112 CD PRO A 8 -13.433 -4.454 -0.380 1.00 0.00 C ATOM 0 HA PRO A 8 -10.706 -5.426 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.493 -5.419 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.499 -6.591 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.301 -4.049 -2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.103 -5.608 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.962 -3.529 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.188 -5.201 -0.137 1.00 0.00 H new ATOM 120 N ARG A 9 -8.944 -3.935 -0.296 1.00 0.00 N ATOM 121 CA ARG A 9 -7.901 -2.875 -0.477 1.00 0.00 C ATOM 122 C ARG A 9 -8.373 -1.800 -1.469 1.00 0.00 C ATOM 123 O ARG A 9 -8.702 -0.700 -1.072 1.00 0.00 O ATOM 124 CB ARG A 9 -6.664 -3.608 -1.013 1.00 0.00 C ATOM 125 CG ARG A 9 -6.116 -4.546 0.065 1.00 0.00 C ATOM 126 CD ARG A 9 -4.599 -4.693 -0.095 1.00 0.00 C ATOM 127 NE ARG A 9 -4.021 -4.193 1.186 1.00 0.00 N ATOM 128 CZ ARG A 9 -4.103 -4.918 2.271 1.00 0.00 C ATOM 129 NH1 ARG A 9 -3.289 -5.929 2.441 1.00 0.00 N ATOM 130 NH2 ARG A 9 -4.998 -4.636 3.182 1.00 0.00 N ATOM 0 H ARG A 9 -8.662 -4.870 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.690 -2.355 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.924 -4.176 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.900 -2.888 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.350 -4.153 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.595 -5.522 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.321 -5.732 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.235 -4.115 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.561 -3.283 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.593 -6.149 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.350 -6.497 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.633 -3.850 3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.061 -5.203 4.028 1.00 0.00 H new ATOM 144 N TRP A 10 -8.399 -2.109 -2.752 1.00 0.00 N ATOM 145 CA TRP A 10 -8.835 -1.105 -3.784 1.00 0.00 C ATOM 146 C TRP A 10 -8.037 0.206 -3.623 1.00 0.00 C ATOM 147 O TRP A 10 -6.944 0.332 -4.142 1.00 0.00 O ATOM 148 CB TRP A 10 -10.341 -0.900 -3.547 1.00 0.00 C ATOM 149 CG TRP A 10 -10.878 0.084 -4.542 1.00 0.00 C ATOM 150 CD1 TRP A 10 -11.331 1.324 -4.241 1.00 0.00 C ATOM 151 CD2 TRP A 10 -11.020 -0.065 -5.984 1.00 0.00 C ATOM 152 NE1 TRP A 10 -11.736 1.947 -5.408 1.00 0.00 N ATOM 153 CE2 TRP A 10 -11.567 1.130 -6.508 1.00 0.00 C ATOM 154 CE3 TRP A 10 -10.730 -1.109 -6.880 1.00 0.00 C ATOM 155 CZ2 TRP A 10 -11.818 1.284 -7.873 1.00 0.00 C ATOM 156 CZ3 TRP A 10 -10.982 -0.958 -8.254 1.00 0.00 C ATOM 157 CH2 TRP A 10 -11.524 0.235 -8.748 1.00 0.00 C ATOM 0 H TRP A 10 -8.135 -3.019 -3.128 1.00 0.00 H new ATOM 0 HA TRP A 10 -8.649 -1.445 -4.803 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -10.867 -1.850 -3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.514 -0.538 -2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -11.370 1.756 -3.252 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -12.113 2.894 -5.450 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -10.311 -2.033 -6.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -12.236 2.206 -8.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -10.756 -1.767 -8.933 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -11.715 0.344 -9.805 1.00 0.00 H new ATOM 168 N PHE A 11 -8.558 1.171 -2.897 1.00 0.00 N ATOM 169 CA PHE A 11 -7.813 2.453 -2.695 1.00 0.00 C ATOM 170 C PHE A 11 -6.697 2.245 -1.659 1.00 0.00 C ATOM 171 O PHE A 11 -5.648 2.858 -1.732 1.00 0.00 O ATOM 172 CB PHE A 11 -8.859 3.468 -2.194 1.00 0.00 C ATOM 173 CG PHE A 11 -9.268 3.151 -0.768 1.00 0.00 C ATOM 174 CD1 PHE A 11 -8.556 3.704 0.305 1.00 0.00 C ATOM 175 CD2 PHE A 11 -10.356 2.304 -0.522 1.00 0.00 C ATOM 176 CE1 PHE A 11 -8.932 3.408 1.620 1.00 0.00 C ATOM 177 CE2 PHE A 11 -10.731 2.010 0.794 1.00 0.00 C ATOM 178 CZ PHE A 11 -10.018 2.561 1.865 1.00 0.00 C ATOM 0 H PHE A 11 -9.467 1.123 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.336 2.806 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.449 4.477 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.735 3.447 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.718 4.358 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.906 1.878 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.383 3.834 2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.571 1.358 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.306 2.332 2.880 1.00 0.00 H new ATOM 188 N TRP A 12 -6.918 1.372 -0.703 1.00 0.00 N ATOM 189 CA TRP A 12 -5.880 1.101 0.339 1.00 0.00 C ATOM 190 C TRP A 12 -4.676 0.377 -0.278 1.00 0.00 C ATOM 191 O TRP A 12 -3.602 0.351 0.293 1.00 0.00 O ATOM 192 CB TRP A 12 -6.586 0.220 1.377 1.00 0.00 C ATOM 193 CG TRP A 12 -5.654 -0.094 2.503 1.00 0.00 C ATOM 194 CD1 TRP A 12 -4.913 -1.220 2.601 1.00 0.00 C ATOM 195 CD2 TRP A 12 -5.355 0.698 3.688 1.00 0.00 C ATOM 196 NE1 TRP A 12 -4.174 -1.169 3.768 1.00 0.00 N ATOM 197 CE2 TRP A 12 -4.413 -0.006 4.473 1.00 0.00 C ATOM 198 CE3 TRP A 12 -5.803 1.948 4.152 1.00 0.00 C ATOM 199 CZ2 TRP A 12 -3.932 0.511 5.678 1.00 0.00 C ATOM 200 CZ3 TRP A 12 -5.323 2.471 5.363 1.00 0.00 C ATOM 201 CH2 TRP A 12 -4.390 1.754 6.125 1.00 0.00 C ATOM 0 H TRP A 12 -7.778 0.834 -0.601 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.489 2.015 0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -7.470 0.731 1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.928 -0.703 0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.900 -2.028 1.884 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.531 -1.901 4.071 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.521 2.509 3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.212 -0.045 6.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.675 3.431 5.710 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.025 2.161 7.056 1.00 0.00 H new ATOM 212 N PHE A 13 -4.843 -0.193 -1.446 1.00 0.00 N ATOM 213 CA PHE A 13 -3.701 -0.895 -2.109 1.00 0.00 C ATOM 214 C PHE A 13 -2.597 0.114 -2.429 1.00 0.00 C ATOM 215 O PHE A 13 -1.421 -0.181 -2.321 1.00 0.00 O ATOM 216 CB PHE A 13 -4.279 -1.497 -3.394 1.00 0.00 C ATOM 217 CG PHE A 13 -3.368 -2.597 -3.889 1.00 0.00 C ATOM 218 CD1 PHE A 13 -2.248 -2.282 -4.670 1.00 0.00 C ATOM 219 CD2 PHE A 13 -3.642 -3.931 -3.568 1.00 0.00 C ATOM 220 CE1 PHE A 13 -1.405 -3.301 -5.129 1.00 0.00 C ATOM 221 CE2 PHE A 13 -2.799 -4.951 -4.026 1.00 0.00 C ATOM 222 CZ PHE A 13 -1.680 -4.636 -4.806 1.00 0.00 C ATOM 0 H PHE A 13 -5.719 -0.202 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.262 -1.666 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.277 -1.894 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.382 -0.725 -4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.035 -1.253 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.505 -4.174 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.543 -3.058 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.012 -5.980 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.029 -5.422 -5.159 1.00 0.00 H new ATOM 232 N SER A 14 -2.975 1.310 -2.800 1.00 0.00 N ATOM 233 CA SER A 14 -1.961 2.366 -3.107 1.00 0.00 C ATOM 234 C SER A 14 -1.195 2.713 -1.830 1.00 0.00 C ATOM 235 O SER A 14 0.009 2.882 -1.839 1.00 0.00 O ATOM 236 CB SER A 14 -2.764 3.572 -3.604 1.00 0.00 C ATOM 237 OG SER A 14 -2.003 4.276 -4.576 1.00 0.00 O ATOM 0 H SER A 14 -3.946 1.603 -2.904 1.00 0.00 H new ATOM 0 HA SER A 14 -1.232 2.045 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.709 3.241 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.007 4.230 -2.770 1.00 0.00 H new ATOM 0 HG SER A 14 -2.515 5.047 -4.897 1.00 0.00 H new ATOM 243 N LEU A 15 -1.897 2.789 -0.730 1.00 0.00 N ATOM 244 CA LEU A 15 -1.238 3.091 0.577 1.00 0.00 C ATOM 245 C LEU A 15 -0.252 1.967 0.920 1.00 0.00 C ATOM 246 O LEU A 15 0.848 2.213 1.379 1.00 0.00 O ATOM 247 CB LEU A 15 -2.385 3.140 1.595 1.00 0.00 C ATOM 248 CG LEU A 15 -1.838 3.467 2.987 1.00 0.00 C ATOM 249 CD1 LEU A 15 -2.783 4.442 3.693 1.00 0.00 C ATOM 250 CD2 LEU A 15 -1.730 2.179 3.809 1.00 0.00 C ATOM 0 H LEU A 15 -2.907 2.654 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.674 4.024 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.115 3.892 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.905 2.182 1.616 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.852 3.922 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.393 4.674 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.861 5.360 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.769 3.988 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.341 2.411 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.716 1.724 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.056 1.483 3.309 1.00 0.00 H new ATOM 262 N LEU A 16 -0.642 0.735 0.684 1.00 0.00 N ATOM 263 CA LEU A 16 0.264 -0.421 0.977 1.00 0.00 C ATOM 264 C LEU A 16 1.499 -0.356 0.080 1.00 0.00 C ATOM 265 O LEU A 16 2.612 -0.573 0.521 1.00 0.00 O ATOM 266 CB LEU A 16 -0.570 -1.671 0.671 1.00 0.00 C ATOM 267 CG LEU A 16 0.131 -2.914 1.229 1.00 0.00 C ATOM 268 CD1 LEU A 16 -0.868 -3.752 2.029 1.00 0.00 C ATOM 269 CD2 LEU A 16 0.682 -3.750 0.071 1.00 0.00 C ATOM 0 H LEU A 16 -1.552 0.481 0.300 1.00 0.00 H new ATOM 0 HA LEU A 16 0.621 -0.420 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.562 -1.574 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.708 -1.773 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 16 0.949 -2.606 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.367 -4.635 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.263 -3.159 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.687 -4.060 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.181 -4.635 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.138 -4.056 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.395 -3.156 -0.500 1.00 0.00 H new ATOM 281 N LEU A 17 1.304 -0.034 -1.170 1.00 0.00 N ATOM 282 CA LEU A 17 2.461 0.080 -2.112 1.00 0.00 C ATOM 283 C LEU A 17 3.414 1.173 -1.619 1.00 0.00 C ATOM 284 O LEU A 17 4.618 1.088 -1.779 1.00 0.00 O ATOM 285 CB LEU A 17 1.847 0.458 -3.464 1.00 0.00 C ATOM 286 CG LEU A 17 2.846 0.157 -4.588 1.00 0.00 C ATOM 287 CD1 LEU A 17 2.114 -0.488 -5.767 1.00 0.00 C ATOM 288 CD2 LEU A 17 3.503 1.462 -5.049 1.00 0.00 C ATOM 0 H LEU A 17 0.391 0.156 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 17 3.037 -0.843 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.925 -0.101 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.584 1.516 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 17 3.611 -0.527 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.826 -0.701 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.646 -1.417 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.348 0.194 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.213 1.249 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.737 2.145 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.027 1.922 -4.211 1.00 0.00 H new ATOM 300 N LEU A 18 2.871 2.186 -0.998 1.00 0.00 N ATOM 301 CA LEU A 18 3.711 3.294 -0.456 1.00 0.00 C ATOM 302 C LEU A 18 4.541 2.780 0.723 1.00 0.00 C ATOM 303 O LEU A 18 5.701 3.117 0.876 1.00 0.00 O ATOM 304 CB LEU A 18 2.711 4.370 -0.003 1.00 0.00 C ATOM 305 CG LEU A 18 3.338 5.768 -0.102 1.00 0.00 C ATOM 306 CD1 LEU A 18 4.502 5.889 0.886 1.00 0.00 C ATOM 307 CD2 LEU A 18 3.849 6.009 -1.527 1.00 0.00 C ATOM 0 H LEU A 18 1.869 2.294 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 18 4.413 3.690 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.814 4.323 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.401 4.177 1.024 1.00 0.00 H new ATOM 0 HG LEU A 18 2.581 6.513 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.942 6.883 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.136 5.731 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.258 5.139 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.293 7.002 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.600 5.259 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.018 5.937 -2.229 1.00 0.00 H new ATOM 319 N ALA A 19 3.954 1.950 1.545 1.00 0.00 N ATOM 320 CA ALA A 19 4.698 1.385 2.713 1.00 0.00 C ATOM 321 C ALA A 19 5.821 0.464 2.217 1.00 0.00 C ATOM 322 O ALA A 19 6.905 0.440 2.770 1.00 0.00 O ATOM 323 CB ALA A 19 3.660 0.589 3.508 1.00 0.00 C ATOM 0 H ALA A 19 2.987 1.637 1.458 1.00 0.00 H new ATOM 0 HA ALA A 19 5.161 2.160 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.135 0.144 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.859 1.255 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.246 -0.199 2.879 1.00 0.00 H new ATOM 329 N ALA A 20 5.569 -0.283 1.167 1.00 0.00 N ATOM 330 CA ALA A 20 6.620 -1.193 0.615 1.00 0.00 C ATOM 331 C ALA A 20 7.783 -0.367 0.049 1.00 0.00 C ATOM 332 O ALA A 20 8.937 -0.700 0.236 1.00 0.00 O ATOM 333 CB ALA A 20 5.924 -1.983 -0.497 1.00 0.00 C ATOM 0 H ALA A 20 4.679 -0.300 0.669 1.00 0.00 H new ATOM 0 HA ALA A 20 7.038 -1.853 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.634 -2.674 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.089 -2.544 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.553 -1.294 -1.255 1.00 0.00 H new ATOM 339 N GLY A 21 7.481 0.717 -0.630 1.00 0.00 N ATOM 340 CA GLY A 21 8.559 1.582 -1.200 1.00 0.00 C ATOM 341 C GLY A 21 9.425 2.140 -0.065 1.00 0.00 C ATOM 342 O GLY A 21 10.629 2.254 -0.196 1.00 0.00 O ATOM 0 H GLY A 21 6.530 1.038 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.174 1.006 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.119 2.400 -1.771 1.00 0.00 H new ATOM 346 N VAL A 22 8.821 2.475 1.052 1.00 0.00 N ATOM 347 CA VAL A 22 9.610 3.012 2.208 1.00 0.00 C ATOM 348 C VAL A 22 10.618 1.953 2.681 1.00 0.00 C ATOM 349 O VAL A 22 11.745 2.266 3.016 1.00 0.00 O ATOM 350 CB VAL A 22 8.574 3.310 3.303 1.00 0.00 C ATOM 351 CG1 VAL A 22 9.286 3.770 4.580 1.00 0.00 C ATOM 352 CG2 VAL A 22 7.628 4.419 2.831 1.00 0.00 C ATOM 0 H VAL A 22 7.817 2.400 1.213 1.00 0.00 H new ATOM 0 HA VAL A 22 10.179 3.904 1.947 1.00 0.00 H new ATOM 0 HB VAL A 22 8.005 2.403 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.547 3.980 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.959 2.985 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.860 4.673 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.895 4.628 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.202 5.322 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.114 4.098 1.925 1.00 0.00 H new ATOM 362 N GLY A 23 10.220 0.701 2.698 1.00 0.00 N ATOM 363 CA GLY A 23 11.150 -0.384 3.134 1.00 0.00 C ATOM 364 C GLY A 23 12.319 -0.479 2.149 1.00 0.00 C ATOM 365 O GLY A 23 13.470 -0.497 2.543 1.00 0.00 O ATOM 0 H GLY A 23 9.288 0.386 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.522 -0.178 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.620 -1.336 3.180 1.00 0.00 H new ATOM 369 N ILE A 24 12.033 -0.529 0.870 1.00 0.00 N ATOM 370 CA ILE A 24 13.131 -0.610 -0.144 1.00 0.00 C ATOM 371 C ILE A 24 13.970 0.677 -0.113 1.00 0.00 C ATOM 372 O ILE A 24 15.161 0.641 -0.345 1.00 0.00 O ATOM 373 CB ILE A 24 12.421 -0.789 -1.498 1.00 0.00 C ATOM 374 CG1 ILE A 24 12.104 -2.274 -1.712 1.00 0.00 C ATOM 375 CG2 ILE A 24 13.322 -0.302 -2.640 1.00 0.00 C ATOM 376 CD1 ILE A 24 10.628 -2.536 -1.403 1.00 0.00 C ATOM 0 H ILE A 24 11.088 -0.517 0.485 1.00 0.00 H new ATOM 0 HA ILE A 24 13.819 -1.433 0.049 1.00 0.00 H new ATOM 0 HB ILE A 24 11.501 -0.205 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.326 -2.559 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.735 -2.887 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.807 -0.435 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.553 0.754 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 24 14.247 -0.878 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.406 -3.592 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.420 -2.268 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.005 -1.935 -2.065 1.00 0.00 H new ATOM 388 N TYR A 25 13.370 1.807 0.190 1.00 0.00 N ATOM 389 CA TYR A 25 14.166 3.075 0.253 1.00 0.00 C ATOM 390 C TYR A 25 15.219 2.968 1.364 1.00 0.00 C ATOM 391 O TYR A 25 16.266 3.582 1.298 1.00 0.00 O ATOM 392 CB TYR A 25 13.169 4.191 0.562 1.00 0.00 C ATOM 393 CG TYR A 25 13.842 5.524 0.333 1.00 0.00 C ATOM 394 CD1 TYR A 25 13.827 6.107 -0.939 1.00 0.00 C ATOM 395 CD2 TYR A 25 14.486 6.174 1.393 1.00 0.00 C ATOM 396 CE1 TYR A 25 14.453 7.341 -1.152 1.00 0.00 C ATOM 397 CE2 TYR A 25 15.112 7.407 1.181 1.00 0.00 C ATOM 398 CZ TYR A 25 15.095 7.990 -0.091 1.00 0.00 C ATOM 399 OH TYR A 25 15.713 9.206 -0.300 1.00 0.00 O ATOM 0 H TYR A 25 12.375 1.905 0.394 1.00 0.00 H new ATOM 0 HA TYR A 25 14.692 3.271 -0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.290 4.098 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.825 4.114 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.332 5.605 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.499 5.723 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.441 7.791 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 25 15.608 7.909 1.999 1.00 0.00 H new ATOM 0 HH TYR A 25 16.109 9.520 0.539 1.00 0.00 H new ATOM 409 N LEU A 26 14.958 2.168 2.370 1.00 0.00 N ATOM 410 CA LEU A 26 15.956 1.987 3.465 1.00 0.00 C ATOM 411 C LEU A 26 17.050 1.023 2.987 1.00 0.00 C ATOM 412 O LEU A 26 18.177 1.076 3.437 1.00 0.00 O ATOM 413 CB LEU A 26 15.173 1.381 4.635 1.00 0.00 C ATOM 414 CG LEU A 26 14.969 2.442 5.722 1.00 0.00 C ATOM 415 CD1 LEU A 26 13.745 3.297 5.383 1.00 0.00 C ATOM 416 CD2 LEU A 26 14.749 1.752 7.072 1.00 0.00 C ATOM 0 H LEU A 26 14.096 1.633 2.478 1.00 0.00 H new ATOM 0 HA LEU A 26 16.438 2.920 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.208 1.012 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.713 0.527 5.043 1.00 0.00 H new ATOM 0 HG LEU A 26 15.852 3.079 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.602 4.051 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.899 3.788 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.861 2.661 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.604 2.505 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.866 1.115 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.620 1.144 7.316 1.00 0.00 H new ATOM 428 N LEU A 27 16.720 0.149 2.060 1.00 0.00 N ATOM 429 CA LEU A 27 17.729 -0.817 1.529 1.00 0.00 C ATOM 430 C LEU A 27 17.710 -0.834 -0.015 1.00 0.00 C ATOM 431 O LEU A 27 17.521 -1.878 -0.613 1.00 0.00 O ATOM 432 CB LEU A 27 17.286 -2.175 2.078 1.00 0.00 C ATOM 433 CG LEU A 27 18.479 -3.138 2.084 1.00 0.00 C ATOM 434 CD1 LEU A 27 18.997 -3.305 3.514 1.00 0.00 C ATOM 435 CD2 LEU A 27 18.039 -4.499 1.538 1.00 0.00 C ATOM 0 H LEU A 27 15.790 0.067 1.650 1.00 0.00 H new ATOM 0 HA LEU A 27 18.745 -0.555 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.893 -2.060 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.480 -2.581 1.466 1.00 0.00 H new ATOM 0 HG LEU A 27 19.273 -2.734 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 27 19.845 -3.990 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.312 -2.336 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 27 18.204 -3.708 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.887 -5.184 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.244 -4.902 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.673 -4.381 0.518 1.00 0.00 H new ATOM 447 N PRO A 28 17.906 0.318 -0.621 1.00 0.00 N ATOM 448 CA PRO A 28 17.909 0.415 -2.096 1.00 0.00 C ATOM 449 C PRO A 28 19.331 0.248 -2.660 1.00 0.00 C ATOM 450 O PRO A 28 19.508 -0.047 -3.827 1.00 0.00 O ATOM 451 CB PRO A 28 17.380 1.825 -2.343 1.00 0.00 C ATOM 452 CG PRO A 28 17.686 2.607 -1.092 1.00 0.00 C ATOM 453 CD PRO A 28 18.133 1.635 -0.020 1.00 0.00 C ATOM 0 HA PRO A 28 17.315 -0.359 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.860 2.275 -3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.308 1.811 -2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.466 3.343 -1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 28 16.804 3.156 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 28 19.182 1.780 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.558 1.760 0.897 1.00 0.00 H new ATOM 461 N ASN A 29 20.341 0.435 -1.843 1.00 0.00 N ATOM 462 CA ASN A 29 21.747 0.290 -2.336 1.00 0.00 C ATOM 463 C ASN A 29 22.245 -1.160 -2.184 1.00 0.00 C ATOM 464 O ASN A 29 23.364 -1.471 -2.547 1.00 0.00 O ATOM 465 CB ASN A 29 22.574 1.232 -1.454 1.00 0.00 C ATOM 466 CG ASN A 29 23.661 1.905 -2.297 1.00 0.00 C ATOM 467 OD1 ASN A 29 23.675 3.112 -2.437 1.00 0.00 O ATOM 468 ND2 ASN A 29 24.580 1.174 -2.868 1.00 0.00 N ATOM 0 H ASN A 29 20.252 0.681 -0.857 1.00 0.00 H new ATOM 0 HA ASN A 29 21.828 0.533 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.928 1.987 -1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 29 23.028 0.674 -0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 29 25.307 1.616 -3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 29 24.571 0.161 -2.752 1.00 0.00 H new ATOM 475 N ARG A 30 21.432 -2.049 -1.657 1.00 0.00 N ATOM 476 CA ARG A 30 21.874 -3.468 -1.495 1.00 0.00 C ATOM 477 C ARG A 30 21.503 -4.285 -2.740 1.00 0.00 C ATOM 478 O ARG A 30 20.337 -4.283 -3.105 1.00 0.00 O ATOM 479 CB ARG A 30 21.123 -3.985 -0.262 1.00 0.00 C ATOM 480 CG ARG A 30 21.733 -5.314 0.194 1.00 0.00 C ATOM 481 CD ARG A 30 20.881 -6.477 -0.323 1.00 0.00 C ATOM 482 NE ARG A 30 21.717 -7.692 -0.112 1.00 0.00 N ATOM 483 CZ ARG A 30 21.475 -8.487 0.897 1.00 0.00 C ATOM 484 NH1 ARG A 30 20.542 -9.397 0.800 1.00 0.00 N ATOM 485 NH2 ARG A 30 22.166 -8.367 2.001 1.00 0.00 N ATOM 486 OXT ARG A 30 22.393 -4.897 -3.308 1.00 0.00 O ATOM 0 H ARG A 30 20.485 -1.851 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 30 22.954 -3.552 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 30 21.179 -3.253 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 30 20.067 -4.120 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 30 22.753 -5.404 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.787 -5.346 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.938 -6.547 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.633 -6.347 -1.376 1.00 0.00 H new ATOM 0 HE ARG A 30 22.479 -7.904 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.004 -9.486 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.352 -10.018 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.892 -7.654 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.979 -8.986 2.790 1.00 0.00 H new TER 500 ARG A 30