USER MOD reduce.3.24.130724 H: found=0, std=0, add=121, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 121 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD NoAdj-H: A 1 GLY H2 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD Single : A 1 GLY N :NH3+ -92:sc= -0.248 (180deg=-0.491) USER MOD Single : A 3 THR OG1 : rot -62:sc= 0.911 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.723 18.660 23.229 1.00 0.00 N ATOM 2 CA GLY A 1 24.512 18.623 21.795 1.00 0.00 C ATOM 3 C GLY A 1 25.224 19.646 20.921 1.00 0.00 C ATOM 4 O GLY A 1 26.036 20.408 21.440 1.00 0.00 O ATOM 0 H3 GLY A 1 25.512 18.031 23.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.801 17.632 21.445 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.442 18.725 21.616 1.00 0.00 H new ATOM 8 N PRO A 2 24.945 19.682 19.616 1.00 0.00 N ATOM 9 CA PRO A 2 25.720 20.409 18.631 1.00 0.00 C ATOM 10 C PRO A 2 25.161 21.778 18.273 1.00 0.00 C ATOM 11 O PRO A 2 25.732 22.426 17.399 1.00 0.00 O ATOM 12 CB PRO A 2 25.641 19.487 17.417 1.00 0.00 C ATOM 13 CG PRO A 2 24.213 18.954 17.489 1.00 0.00 C ATOM 14 CD PRO A 2 23.928 18.866 18.985 1.00 0.00 C ATOM 0 HA PRO A 2 26.723 20.625 19.000 1.00 0.00 H new ATOM 0 HB2 PRO A 2 25.825 20.026 16.487 1.00 0.00 H new ATOM 0 HB3 PRO A 2 26.376 18.684 17.471 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.512 19.621 16.988 1.00 0.00 H new ATOM 0 HG3 PRO A 2 24.126 17.980 17.008 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.929 19.234 19.217 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.978 17.835 19.335 1.00 0.00 H new ATOM 22 N THR A 3 24.096 22.252 18.925 1.00 0.00 N ATOM 23 CA THR A 3 23.589 23.571 18.603 1.00 0.00 C ATOM 24 C THR A 3 24.416 24.771 19.040 1.00 0.00 C ATOM 25 O THR A 3 25.224 24.674 19.962 1.00 0.00 O ATOM 26 CB THR A 3 22.174 23.758 19.144 1.00 0.00 C ATOM 27 OG1 THR A 3 22.186 23.947 20.542 1.00 0.00 O ATOM 28 CG2 THR A 3 21.221 22.621 18.792 1.00 0.00 C ATOM 0 H THR A 3 23.587 21.754 19.655 1.00 0.00 H new ATOM 0 HA THR A 3 23.631 23.570 17.514 1.00 0.00 H new ATOM 0 HB THR A 3 21.796 24.653 18.650 1.00 0.00 H new ATOM 0 HG1 THR A 3 22.553 23.149 20.977 1.00 0.00 H new ATOM 0 HG21 THR A 3 20.237 22.828 19.212 1.00 0.00 H new ATOM 0 HG22 THR A 3 21.142 22.535 17.708 1.00 0.00 H new ATOM 0 HG23 THR A 3 21.602 21.686 19.204 1.00 0.00 H new ATOM 36 N PRO A 4 24.211 25.985 18.521 1.00 0.00 N ATOM 37 CA PRO A 4 24.817 27.220 18.974 1.00 0.00 C ATOM 38 C PRO A 4 24.232 27.769 20.269 1.00 0.00 C ATOM 39 O PRO A 4 24.590 28.871 20.681 1.00 0.00 O ATOM 40 CB PRO A 4 24.725 28.204 17.812 1.00 0.00 C ATOM 41 CG PRO A 4 23.421 27.799 17.131 1.00 0.00 C ATOM 42 CD PRO A 4 23.365 26.296 17.386 1.00 0.00 C ATOM 0 HA PRO A 4 25.857 27.036 19.244 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.697 29.237 18.158 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.578 28.116 17.139 1.00 0.00 H new ATOM 0 HG2 PRO A 4 22.562 28.315 17.560 1.00 0.00 H new ATOM 0 HG3 PRO A 4 23.432 28.029 16.066 1.00 0.00 H new ATOM 0 HD2 PRO A 4 22.339 25.984 17.583 1.00 0.00 H new ATOM 0 HD3 PRO A 4 23.700 25.750 16.504 1.00 0.00 H new ATOM 50 N MET A 5 23.368 26.991 20.924 1.00 0.00 N ATOM 51 CA MET A 5 22.707 27.374 22.155 1.00 0.00 C ATOM 52 C MET A 5 23.560 26.874 23.312 1.00 0.00 C ATOM 53 O MET A 5 23.486 25.693 23.647 1.00 0.00 O ATOM 54 CB MET A 5 21.305 26.774 22.217 1.00 0.00 C ATOM 55 CG MET A 5 20.322 27.719 21.534 1.00 0.00 C ATOM 56 SD MET A 5 20.437 27.759 19.728 1.00 0.00 S ATOM 57 CE MET A 5 19.379 29.158 19.283 1.00 0.00 C ATOM 0 H MET A 5 23.109 26.059 20.600 1.00 0.00 H new ATOM 0 HA MET A 5 22.599 28.457 22.209 1.00 0.00 H new ATOM 0 HB2 MET A 5 21.292 25.800 21.727 1.00 0.00 H new ATOM 0 HB3 MET A 5 21.011 26.613 23.254 1.00 0.00 H new ATOM 0 HG2 MET A 5 19.309 27.430 21.813 1.00 0.00 H new ATOM 0 HG3 MET A 5 20.483 28.727 21.917 1.00 0.00 H new ATOM 0 HE1 MET A 5 19.372 29.279 18.200 1.00 0.00 H new ATOM 0 HE2 MET A 5 18.364 28.972 19.634 1.00 0.00 H new ATOM 0 HE3 MET A 5 19.763 30.067 19.747 1.00 0.00 H new ATOM 67 N VAL A 6 24.367 27.711 23.966 1.00 0.00 N ATOM 68 CA VAL A 6 25.227 27.341 25.072 1.00 0.00 C ATOM 69 C VAL A 6 24.483 26.884 26.319 1.00 0.00 C ATOM 70 O VAL A 6 23.503 27.545 26.657 1.00 0.00 O ATOM 71 CB VAL A 6 26.356 28.348 25.270 1.00 0.00 C ATOM 72 CG1 VAL A 6 25.943 29.563 26.096 1.00 0.00 C ATOM 73 CG2 VAL A 6 27.486 27.650 26.022 1.00 0.00 C ATOM 0 H VAL A 6 24.436 28.700 23.725 1.00 0.00 H new ATOM 0 HA VAL A 6 25.739 26.420 24.794 1.00 0.00 H new ATOM 0 HB VAL A 6 26.651 28.699 24.281 1.00 0.00 H new ATOM 0 HG11 VAL A 6 26.792 30.239 26.199 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.125 30.082 25.596 1.00 0.00 H new ATOM 0 HG13 VAL A 6 25.617 29.238 27.084 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.307 28.350 26.176 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.120 27.302 26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 6 27.839 26.799 25.440 1.00 0.00 H new ATOM 83 N GLY A 7 24.827 25.732 26.898 1.00 0.00 N ATOM 84 CA GLY A 7 24.071 25.070 27.943 1.00 0.00 C ATOM 85 C GLY A 7 24.231 23.560 28.050 1.00 0.00 C ATOM 86 O GLY A 7 25.174 23.063 27.439 1.00 0.00 O ATOM 0 H GLY A 7 25.671 25.223 26.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.354 25.511 28.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.014 25.290 27.790 1.00 0.00 H new ATOM 90 N LEU A 8 23.423 22.819 28.812 1.00 0.00 N ATOM 91 CA LEU A 8 23.493 21.380 28.967 1.00 0.00 C ATOM 92 C LEU A 8 23.073 20.597 27.730 1.00 0.00 C ATOM 93 O LEU A 8 22.010 20.923 27.208 1.00 0.00 O ATOM 94 CB LEU A 8 22.644 20.970 30.165 1.00 0.00 C ATOM 95 CG LEU A 8 23.239 21.290 31.533 1.00 0.00 C ATOM 96 CD1 LEU A 8 22.228 20.920 32.615 1.00 0.00 C ATOM 97 CD2 LEU A 8 24.506 20.483 31.798 1.00 0.00 C ATOM 0 H LEU A 8 22.669 23.234 29.360 1.00 0.00 H new ATOM 0 HA LEU A 8 24.542 21.130 29.126 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.674 21.462 30.086 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.463 19.897 30.109 1.00 0.00 H new ATOM 0 HG LEU A 8 23.479 22.353 31.548 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.646 21.146 33.596 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.313 21.494 32.470 1.00 0.00 H new ATOM 0 HD13 LEU A 8 22.002 19.855 32.553 1.00 0.00 H new ATOM 0 HD21 LEU A 8 24.901 20.738 32.781 1.00 0.00 H new ATOM 0 HD22 LEU A 8 24.273 19.419 31.765 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.251 20.715 31.037 1.00 0.00 H new ATOM 109 N ASP A 9 23.818 19.577 27.297 1.00 0.00 N ATOM 110 CA ASP A 9 23.401 18.702 26.220 1.00 0.00 C ATOM 111 C ASP A 9 22.413 17.638 26.676 1.00 0.00 C ATOM 112 O ASP A 9 22.178 17.409 27.861 1.00 0.00 O ATOM 113 CB ASP A 9 24.633 18.053 25.597 1.00 0.00 C ATOM 114 CG ASP A 9 24.466 17.704 24.125 1.00 0.00 C ATOM 115 OD1 ASP A 9 23.909 16.607 23.903 1.00 0.00 O ATOM 0 H ASP A 9 24.729 19.341 27.691 1.00 0.00 H new ATOM 0 HA ASP A 9 22.880 19.309 25.480 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.482 18.728 25.707 1.00 0.00 H new ATOM 0 HB3 ASP A 9 24.873 17.145 26.151 1.00 0.00 H new ATOM 120 N SER A 10 21.847 16.835 25.772 1.00 0.00 N ATOM 121 CA SER A 10 21.045 15.657 26.035 1.00 0.00 C ATOM 122 C SER A 10 21.865 14.407 26.326 1.00 0.00 C ATOM 123 O SER A 10 21.353 13.435 26.876 1.00 0.00 O ATOM 124 CB SER A 10 20.147 15.383 24.833 1.00 0.00 C ATOM 125 OG SER A 10 19.152 16.380 24.773 1.00 0.00 O ATOM 0 H SER A 10 21.949 17.010 24.772 1.00 0.00 H new ATOM 0 HA SER A 10 20.465 15.873 26.932 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.735 15.381 23.915 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.689 14.398 24.921 1.00 0.00 H new ATOM 0 HG SER A 10 18.569 16.215 24.002 1.00 0.00 H new ATOM 131 N VAL A 11 23.140 14.390 25.931 1.00 0.00 N ATOM 132 CA VAL A 11 24.139 13.384 26.233 1.00 0.00 C ATOM 133 C VAL A 11 25.497 14.021 26.491 1.00 0.00 C ATOM 134 O VAL A 11 25.968 13.981 27.626 1.00 0.00 O ATOM 135 CB VAL A 11 24.206 12.359 25.105 1.00 0.00 C ATOM 136 CG1 VAL A 11 25.036 11.179 25.600 1.00 0.00 C ATOM 137 CG2 VAL A 11 22.893 11.696 24.697 1.00 0.00 C ATOM 0 H VAL A 11 23.520 15.137 25.350 1.00 0.00 H new ATOM 0 HA VAL A 11 23.849 12.866 27.147 1.00 0.00 H new ATOM 0 HB VAL A 11 24.589 12.929 24.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 25.103 10.426 24.814 1.00 0.00 H new ATOM 0 HG12 VAL A 11 26.037 11.522 25.860 1.00 0.00 H new ATOM 0 HG13 VAL A 11 24.562 10.744 26.480 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.078 10.990 23.887 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.472 11.166 25.551 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.190 12.458 24.361 1.00 0.00 H new ATOM 147 N SER A 12 26.119 14.670 25.504 1.00 0.00 N ATOM 148 CA SER A 12 27.516 15.036 25.620 1.00 0.00 C ATOM 149 C SER A 12 27.863 16.354 24.942 1.00 0.00 C ATOM 150 O SER A 12 27.138 16.853 24.084 1.00 0.00 O ATOM 151 CB SER A 12 28.408 13.900 25.131 1.00 0.00 C ATOM 152 OG SER A 12 28.324 12.770 25.971 1.00 0.00 O ATOM 0 H SER A 12 25.676 14.947 24.628 1.00 0.00 H new ATOM 0 HA SER A 12 27.706 15.201 26.681 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.120 13.622 24.117 1.00 0.00 H new ATOM 0 HB3 SER A 12 29.442 14.243 25.085 1.00 0.00 H new ATOM 0 HG SER A 12 28.907 12.062 25.626 1.00 0.00 H new ATOM 158 N GLY A 13 28.949 16.988 25.390 1.00 0.00 N ATOM 159 CA GLY A 13 29.405 18.274 24.902 1.00 0.00 C ATOM 160 C GLY A 13 28.816 19.427 25.702 1.00 0.00 C ATOM 161 O GLY A 13 28.072 19.170 26.646 1.00 0.00 O ATOM 0 H GLY A 13 29.546 16.603 26.122 1.00 0.00 H new ATOM 0 HA2 GLY A 13 30.493 18.316 24.952 1.00 0.00 H new ATOM 0 HA3 GLY A 13 29.130 18.382 23.853 1.00 0.00 H new ATOM 165 N GLN A 14 29.231 20.663 25.416 1.00 0.00 N ATOM 166 CA GLN A 14 29.072 21.808 26.290 1.00 0.00 C ATOM 167 C GLN A 14 28.108 22.887 25.814 1.00 0.00 C ATOM 168 O GLN A 14 28.129 24.028 26.269 1.00 0.00 O ATOM 169 CB GLN A 14 30.463 22.349 26.605 1.00 0.00 C ATOM 170 CG GLN A 14 31.320 22.905 25.470 1.00 0.00 C ATOM 171 CD GLN A 14 31.738 21.961 24.353 1.00 0.00 C ATOM 172 OE1 GLN A 14 32.243 20.872 24.621 1.00 0.00 O ATOM 173 NE2 GLN A 14 31.735 22.371 23.081 1.00 0.00 N ATOM 0 H GLN A 14 29.701 20.893 24.540 1.00 0.00 H new ATOM 0 HA GLN A 14 28.576 21.459 27.196 1.00 0.00 H new ATOM 0 HB2 GLN A 14 30.348 23.139 27.347 1.00 0.00 H new ATOM 0 HB3 GLN A 14 31.028 21.546 27.080 1.00 0.00 H new ATOM 0 HG2 GLN A 14 30.776 23.734 25.018 1.00 0.00 H new ATOM 0 HG3 GLN A 14 32.226 23.321 25.911 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.322 23.271 22.836 1.00 0.00 H new ATOM 0 HE22 GLN A 14 32.146 21.784 22.355 1.00 0.00 H new ATOM 182 N TYR A 15 27.231 22.509 24.880 1.00 0.00 N ATOM 183 CA TYR A 15 26.037 23.178 24.402 1.00 0.00 C ATOM 184 C TYR A 15 24.787 22.315 24.310 1.00 0.00 C ATOM 185 O TYR A 15 24.879 21.099 24.451 1.00 0.00 O ATOM 186 CB TYR A 15 26.324 23.715 23.003 1.00 0.00 C ATOM 187 CG TYR A 15 27.143 24.983 22.957 1.00 0.00 C ATOM 188 CD1 TYR A 15 28.493 24.882 23.313 1.00 0.00 C ATOM 189 CD2 TYR A 15 26.722 26.156 22.321 1.00 0.00 C ATOM 190 CE1 TYR A 15 29.383 25.950 23.151 1.00 0.00 C ATOM 191 CE2 TYR A 15 27.607 27.226 22.142 1.00 0.00 C ATOM 192 CZ TYR A 15 28.938 27.169 22.601 1.00 0.00 C ATOM 193 OH TYR A 15 29.806 28.207 22.425 1.00 0.00 O ATOM 0 H TYR A 15 27.364 21.624 24.390 1.00 0.00 H new ATOM 0 HA TYR A 15 25.820 23.950 25.141 1.00 0.00 H new ATOM 0 HB2 TYR A 15 26.845 22.944 22.435 1.00 0.00 H new ATOM 0 HB3 TYR A 15 25.375 23.896 22.499 1.00 0.00 H new ATOM 0 HD1 TYR A 15 28.858 23.953 23.725 1.00 0.00 H new ATOM 0 HD2 TYR A 15 25.706 26.237 21.965 1.00 0.00 H new ATOM 0 HE1 TYR A 15 30.415 25.840 23.449 1.00 0.00 H new ATOM 0 HE2 TYR A 15 27.261 28.117 21.640 1.00 0.00 H new ATOM 0 HH TYR A 15 29.330 28.969 22.034 1.00 0.00 H new ATOM 203 N TRP A 16 23.588 22.870 24.113 1.00 0.00 N ATOM 204 CA TRP A 16 22.296 22.250 23.900 1.00 0.00 C ATOM 205 C TRP A 16 22.220 21.331 22.690 1.00 0.00 C ATOM 206 O TRP A 16 22.882 21.561 21.680 1.00 0.00 O ATOM 207 CB TRP A 16 21.215 23.315 23.743 1.00 0.00 C ATOM 208 CG TRP A 16 20.620 23.812 25.021 1.00 0.00 C ATOM 209 CD1 TRP A 16 21.141 24.727 25.870 1.00 0.00 C ATOM 210 CD2 TRP A 16 19.370 23.359 25.620 1.00 0.00 C ATOM 211 NE1 TRP A 16 20.304 24.796 26.966 1.00 0.00 N ATOM 212 CE2 TRP A 16 19.199 23.973 26.889 1.00 0.00 C ATOM 213 CE3 TRP A 16 18.381 22.462 25.187 1.00 0.00 C ATOM 214 CZ2 TRP A 16 18.117 23.659 27.719 1.00 0.00 C ATOM 215 CZ3 TRP A 16 17.302 22.166 26.029 1.00 0.00 C ATOM 216 CH2 TRP A 16 17.168 22.714 27.310 1.00 0.00 C ATOM 0 H TRP A 16 23.500 23.886 24.099 1.00 0.00 H new ATOM 0 HA TRP A 16 22.139 21.635 24.786 1.00 0.00 H new ATOM 0 HB2 TRP A 16 21.638 24.163 23.204 1.00 0.00 H new ATOM 0 HB3 TRP A 16 20.416 22.910 23.122 1.00 0.00 H new ATOM 0 HD1 TRP A 16 22.045 25.298 25.719 1.00 0.00 H new ATOM 0 HE1 TRP A 16 20.487 25.404 27.765 1.00 0.00 H new ATOM 0 HE3 TRP A 16 18.452 22.004 24.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 18.014 24.147 28.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.541 21.486 25.675 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.359 22.418 27.962 1.00 0.00 H new ATOM 227 N ASP A 17 21.277 20.387 22.704 1.00 0.00 N ATOM 228 CA ASP A 17 20.939 19.451 21.650 1.00 0.00 C ATOM 229 C ASP A 17 19.688 19.830 20.869 1.00 0.00 C ATOM 230 O ASP A 17 18.856 20.548 21.420 1.00 0.00 O ATOM 231 CB ASP A 17 20.789 18.061 22.261 1.00 0.00 C ATOM 232 CG ASP A 17 20.899 16.969 21.206 1.00 0.00 C ATOM 233 OD1 ASP A 17 21.978 16.849 20.588 1.00 0.00 O ATOM 234 OD2 ASP A 17 19.874 16.275 21.033 1.00 0.00 O1- ATOM 0 H ASP A 17 20.686 20.253 23.524 1.00 0.00 H new ATOM 0 HA ASP A 17 21.751 19.470 20.923 1.00 0.00 H new ATOM 0 HB2 ASP A 17 21.557 17.912 23.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.825 17.986 22.763 1.00 0.00 H new ATOM 239 N GLN A 18 19.394 19.158 19.754 1.00 0.00 N ATOM 240 CA GLN A 18 18.171 19.373 19.007 1.00 0.00 C ATOM 241 C GLN A 18 17.423 18.079 18.724 1.00 0.00 C ATOM 242 O GLN A 18 16.421 18.050 18.014 1.00 0.00 O ATOM 243 CB GLN A 18 18.518 20.110 17.716 1.00 0.00 C ATOM 244 CG GLN A 18 17.444 21.161 17.446 1.00 0.00 C ATOM 245 CD GLN A 18 17.628 21.979 16.176 1.00 0.00 C ATOM 246 OE1 GLN A 18 18.693 22.529 15.901 1.00 0.00 O ATOM 247 NE2 GLN A 18 16.629 22.020 15.292 1.00 0.00 N ATOM 0 H GLN A 18 20.005 18.449 19.349 1.00 0.00 H new ATOM 0 HA GLN A 18 17.493 19.977 19.611 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.496 20.583 17.803 1.00 0.00 H new ATOM 0 HB3 GLN A 18 18.576 19.408 16.884 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.476 20.661 17.398 1.00 0.00 H new ATOM 0 HG3 GLN A 18 17.408 21.844 18.295 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.740 21.568 15.506 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.755 22.503 14.402 1.00 0.00 H new