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+ 180:sc= -0.708 (180deg=-0.708) USER MOD Single : A 3 THR OG1 : rot -78:sc= 0.932 USER MOD Single : A 5 MET CE :methyl -173:sc= 0 (180deg=-0.0594) USER MOD Single : A 10 SER OG : rot -95:sc= 1.26 USER MOD Single : A 12 SER OG : rot 180:sc= 0.146 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.231 18.788 23.427 1.00 0.00 N ATOM 2 CA GLY A 1 23.918 18.631 22.021 1.00 0.00 C ATOM 3 C GLY A 1 24.785 19.257 20.938 1.00 0.00 C ATOM 4 O GLY A 1 25.830 19.814 21.268 1.00 0.00 O ATOM 0 H3 GLY A 1 23.521 18.287 23.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.886 17.560 21.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.907 19.012 21.877 1.00 0.00 H new ATOM 8 N PRO A 2 24.348 19.168 19.680 1.00 0.00 N ATOM 9 CA PRO A 2 25.124 19.653 18.556 1.00 0.00 C ATOM 10 C PRO A 2 24.980 21.138 18.256 1.00 0.00 C ATOM 11 O PRO A 2 25.574 21.624 17.296 1.00 0.00 O ATOM 12 CB PRO A 2 24.576 18.876 17.362 1.00 0.00 C ATOM 13 CG PRO A 2 23.091 18.800 17.704 1.00 0.00 C ATOM 14 CD PRO A 2 23.115 18.570 19.212 1.00 0.00 C ATOM 0 HA PRO A 2 26.183 19.512 18.774 1.00 0.00 H new ATOM 0 HB2 PRO A 2 24.754 19.393 16.419 1.00 0.00 H new ATOM 0 HB3 PRO A 2 25.028 17.888 17.273 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.566 19.718 17.441 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.594 17.986 17.177 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.251 19.029 19.692 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.082 17.506 19.446 1.00 0.00 H new ATOM 22 N THR A 3 24.150 21.910 18.961 1.00 0.00 N ATOM 23 CA THR A 3 23.853 23.291 18.633 1.00 0.00 C ATOM 24 C THR A 3 24.993 24.237 18.983 1.00 0.00 C ATOM 25 O THR A 3 25.909 23.804 19.680 1.00 0.00 O ATOM 26 CB THR A 3 22.532 23.709 19.272 1.00 0.00 C ATOM 27 OG1 THR A 3 22.783 23.918 20.643 1.00 0.00 O ATOM 28 CG2 THR A 3 21.367 22.730 19.162 1.00 0.00 C ATOM 0 H THR A 3 23.660 21.578 19.792 1.00 0.00 H new ATOM 0 HA THR A 3 23.744 23.361 17.551 1.00 0.00 H new ATOM 0 HB THR A 3 22.210 24.591 18.718 1.00 0.00 H new ATOM 0 HG1 THR A 3 22.839 23.053 21.101 1.00 0.00 H new ATOM 0 HG21 THR A 3 20.491 23.150 19.657 1.00 0.00 H new ATOM 0 HG22 THR A 3 21.139 22.552 18.111 1.00 0.00 H new ATOM 0 HG23 THR A 3 21.637 21.788 19.639 1.00 0.00 H new ATOM 36 N PRO A 4 24.950 25.499 18.550 1.00 0.00 N ATOM 37 CA PRO A 4 25.808 26.552 19.054 1.00 0.00 C ATOM 38 C PRO A 4 25.296 27.312 20.269 1.00 0.00 C ATOM 39 O PRO A 4 25.921 28.262 20.736 1.00 0.00 O ATOM 40 CB PRO A 4 25.961 27.496 17.865 1.00 0.00 C ATOM 41 CG PRO A 4 24.611 27.409 17.160 1.00 0.00 C ATOM 42 CD PRO A 4 24.005 26.086 17.622 1.00 0.00 C ATOM 0 HA PRO A 4 26.736 26.114 19.422 1.00 0.00 H new ATOM 0 HB2 PRO A 4 26.180 28.514 18.187 1.00 0.00 H new ATOM 0 HB3 PRO A 4 26.776 27.187 17.210 1.00 0.00 H new ATOM 0 HG2 PRO A 4 23.972 28.250 17.428 1.00 0.00 H new ATOM 0 HG3 PRO A 4 24.730 27.431 16.077 1.00 0.00 H new ATOM 0 HD2 PRO A 4 23.040 26.249 18.103 1.00 0.00 H new ATOM 0 HD3 PRO A 4 23.831 25.423 16.775 1.00 0.00 H new ATOM 50 N MET A 5 24.101 27.004 20.782 1.00 0.00 N ATOM 51 CA MET A 5 23.512 27.611 21.959 1.00 0.00 C ATOM 52 C MET A 5 24.109 27.088 23.258 1.00 0.00 C ATOM 53 O MET A 5 24.030 25.886 23.504 1.00 0.00 O ATOM 54 CB MET A 5 22.000 27.401 21.957 1.00 0.00 C ATOM 55 CG MET A 5 21.325 27.656 20.613 1.00 0.00 C ATOM 56 SD MET A 5 21.546 29.320 19.937 1.00 0.00 S ATOM 57 CE MET A 5 20.573 30.289 21.116 1.00 0.00 C ATOM 0 H MET A 5 23.500 26.294 20.364 1.00 0.00 H new ATOM 0 HA MET A 5 23.739 28.676 21.912 1.00 0.00 H new ATOM 0 HB2 MET A 5 21.788 26.378 22.267 1.00 0.00 H new ATOM 0 HB3 MET A 5 21.554 28.059 22.703 1.00 0.00 H new ATOM 0 HG2 MET A 5 21.708 26.935 19.891 1.00 0.00 H new ATOM 0 HG3 MET A 5 20.257 27.464 20.720 1.00 0.00 H new ATOM 0 HE1 MET A 5 20.504 31.320 20.770 1.00 0.00 H new ATOM 0 HE2 MET A 5 19.572 29.866 21.196 1.00 0.00 H new ATOM 0 HE3 MET A 5 21.056 30.265 22.093 1.00 0.00 H new ATOM 67 N VAL A 6 24.913 27.831 24.023 1.00 0.00 N ATOM 68 CA VAL A 6 25.668 27.322 25.149 1.00 0.00 C ATOM 69 C VAL A 6 24.679 26.829 26.197 1.00 0.00 C ATOM 70 O VAL A 6 23.672 27.494 26.430 1.00 0.00 O ATOM 71 CB VAL A 6 26.707 28.288 25.712 1.00 0.00 C ATOM 72 CG1 VAL A 6 27.826 28.488 24.694 1.00 0.00 C ATOM 73 CG2 VAL A 6 26.101 29.598 26.207 1.00 0.00 C ATOM 0 H VAL A 6 25.054 28.829 23.864 1.00 0.00 H new ATOM 0 HA VAL A 6 26.283 26.493 24.798 1.00 0.00 H new ATOM 0 HB VAL A 6 27.140 27.840 26.606 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.567 29.178 25.098 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.300 27.530 24.482 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.411 28.899 23.774 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.891 30.241 26.595 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.597 30.101 25.382 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.381 29.390 26.999 1.00 0.00 H new ATOM 83 N GLY A 7 24.940 25.731 26.910 1.00 0.00 N ATOM 84 CA GLY A 7 24.029 25.173 27.889 1.00 0.00 C ATOM 85 C GLY A 7 24.511 23.841 28.445 1.00 0.00 C ATOM 86 O GLY A 7 25.678 23.642 28.773 1.00 0.00 O ATOM 0 H GLY A 7 25.807 25.202 26.815 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.904 25.881 28.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.049 25.038 27.432 1.00 0.00 H new ATOM 90 N LEU A 8 23.561 22.907 28.535 1.00 0.00 N ATOM 91 CA LEU A 8 23.640 21.536 28.993 1.00 0.00 C ATOM 92 C LEU A 8 23.069 20.624 27.916 1.00 0.00 C ATOM 93 O LEU A 8 22.118 20.950 27.209 1.00 0.00 O ATOM 94 CB LEU A 8 22.895 21.348 30.313 1.00 0.00 C ATOM 95 CG LEU A 8 23.813 21.308 31.532 1.00 0.00 C ATOM 96 CD1 LEU A 8 23.025 21.412 32.835 1.00 0.00 C ATOM 97 CD2 LEU A 8 24.538 19.965 31.553 1.00 0.00 C ATOM 0 H LEU A 8 22.607 23.131 28.252 1.00 0.00 H new ATOM 0 HA LEU A 8 24.684 21.280 29.175 1.00 0.00 H new ATOM 0 HB2 LEU A 8 22.178 22.160 30.435 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.323 20.421 30.269 1.00 0.00 H new ATOM 0 HG LEU A 8 24.502 22.150 31.458 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.713 21.380 33.680 1.00 0.00 H new ATOM 0 HD12 LEU A 8 22.473 22.352 32.852 1.00 0.00 H new ATOM 0 HD13 LEU A 8 22.326 20.579 32.905 1.00 0.00 H new ATOM 0 HD21 LEU A 8 25.198 19.921 32.419 1.00 0.00 H new ATOM 0 HD22 LEU A 8 23.808 19.158 31.613 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.127 19.855 30.642 1.00 0.00 H new ATOM 109 N ASP A 9 23.514 19.367 27.851 1.00 0.00 N ATOM 110 CA ASP A 9 23.158 18.411 26.823 1.00 0.00 C ATOM 111 C ASP A 9 23.080 17.015 27.421 1.00 0.00 C ATOM 112 O ASP A 9 23.888 16.567 28.231 1.00 0.00 O ATOM 113 CB ASP A 9 24.281 18.418 25.789 1.00 0.00 C ATOM 114 CG ASP A 9 23.972 17.901 24.390 1.00 0.00 C ATOM 115 OD1 ASP A 9 23.585 16.728 24.194 1.00 0.00 O ATOM 0 H ASP A 9 24.156 18.982 28.544 1.00 0.00 H new ATOM 0 HA ASP A 9 22.196 18.673 26.383 1.00 0.00 H new ATOM 0 HB2 ASP A 9 24.640 19.443 25.694 1.00 0.00 H new ATOM 0 HB3 ASP A 9 25.105 17.827 26.188 1.00 0.00 H new ATOM 120 N SER A 10 22.168 16.236 26.833 1.00 0.00 N ATOM 121 CA SER A 10 21.940 14.852 27.196 1.00 0.00 C ATOM 122 C SER A 10 22.972 13.864 26.672 1.00 0.00 C ATOM 123 O SER A 10 22.995 12.737 27.164 1.00 0.00 O ATOM 124 CB SER A 10 20.522 14.492 26.761 1.00 0.00 C ATOM 125 OG SER A 10 20.400 14.685 25.371 1.00 0.00 O ATOM 0 H SER A 10 21.562 16.563 26.080 1.00 0.00 H new ATOM 0 HA SER A 10 22.055 14.766 28.277 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.303 13.455 27.017 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.798 15.111 27.291 1.00 0.00 H new ATOM 0 HG SER A 10 20.022 15.572 25.196 1.00 0.00 H new ATOM 131 N VAL A 11 23.802 14.251 25.701 1.00 0.00 N ATOM 132 CA VAL A 11 24.653 13.382 24.914 1.00 0.00 C ATOM 133 C VAL A 11 26.031 14.015 24.777 1.00 0.00 C ATOM 134 O VAL A 11 27.039 13.378 25.075 1.00 0.00 O ATOM 135 CB VAL A 11 24.087 13.060 23.534 1.00 0.00 C ATOM 136 CG1 VAL A 11 25.038 12.242 22.665 1.00 0.00 C ATOM 137 CG2 VAL A 11 22.804 12.242 23.635 1.00 0.00 C ATOM 0 H VAL A 11 23.897 15.231 25.436 1.00 0.00 H new ATOM 0 HA VAL A 11 24.716 12.433 25.446 1.00 0.00 H new ATOM 0 HB VAL A 11 23.914 14.036 23.080 1.00 0.00 H new ATOM 0 HG11 VAL A 11 24.573 12.049 21.698 1.00 0.00 H new ATOM 0 HG12 VAL A 11 25.964 12.797 22.517 1.00 0.00 H new ATOM 0 HG13 VAL A 11 25.257 11.295 23.158 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.428 12.030 22.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 23.010 11.304 24.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.056 12.806 24.192 1.00 0.00 H new ATOM 147 N SER A 12 26.106 15.221 24.210 1.00 0.00 N ATOM 148 CA SER A 12 27.308 15.969 23.900 1.00 0.00 C ATOM 149 C SER A 12 27.787 16.900 25.004 1.00 0.00 C ATOM 150 O SER A 12 27.321 16.771 26.135 1.00 0.00 O ATOM 151 CB SER A 12 27.051 16.757 22.618 1.00 0.00 C ATOM 152 OG SER A 12 28.244 17.257 22.056 1.00 0.00 O ATOM 0 H SER A 12 25.264 15.729 23.940 1.00 0.00 H new ATOM 0 HA SER A 12 28.115 15.246 23.782 1.00 0.00 H new ATOM 0 HB2 SER A 12 26.550 16.116 21.893 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.376 17.586 22.831 1.00 0.00 H new ATOM 0 HG SER A 12 28.037 17.753 21.237 1.00 0.00 H new ATOM 158 N GLY A 13 28.746 17.792 24.748 1.00 0.00 N ATOM 159 CA GLY A 13 29.221 18.839 25.630 1.00 0.00 C ATOM 160 C GLY A 13 28.230 19.969 25.864 1.00 0.00 C ATOM 161 O GLY A 13 27.047 19.821 25.562 1.00 0.00 O ATOM 0 H GLY A 13 29.240 17.795 23.855 1.00 0.00 H new ATOM 0 HA2 GLY A 13 29.480 18.396 26.592 1.00 0.00 H new ATOM 0 HA3 GLY A 13 30.138 19.258 25.215 1.00 0.00 H new ATOM 165 N GLN A 14 28.692 21.099 26.403 1.00 0.00 N ATOM 166 CA GLN A 14 27.934 22.148 27.054 1.00 0.00 C ATOM 167 C GLN A 14 27.253 23.091 26.070 1.00 0.00 C ATOM 168 O GLN A 14 27.401 24.310 26.088 1.00 0.00 O ATOM 169 CB GLN A 14 28.925 22.932 27.909 1.00 0.00 C ATOM 170 CG GLN A 14 29.533 22.099 29.034 1.00 0.00 C ATOM 171 CD GLN A 14 30.393 22.867 30.028 1.00 0.00 C ATOM 172 OE1 GLN A 14 31.332 23.583 29.690 1.00 0.00 O ATOM 173 NE2 GLN A 14 30.090 22.809 31.327 1.00 0.00 N ATOM 0 H GLN A 14 29.689 21.313 26.390 1.00 0.00 H new ATOM 0 HA GLN A 14 27.135 21.698 27.643 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.725 23.311 27.273 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.421 23.798 28.338 1.00 0.00 H new ATOM 0 HG2 GLN A 14 28.725 21.612 29.580 1.00 0.00 H new ATOM 0 HG3 GLN A 14 30.139 21.309 28.591 1.00 0.00 H new ATOM 0 HE21 GLN A 14 29.316 22.225 31.645 1.00 0.00 H new ATOM 0 HE22 GLN A 14 30.632 23.349 32.002 1.00 0.00 H new ATOM 182 N TYR A 15 26.399 22.519 25.220 1.00 0.00 N ATOM 183 CA TYR A 15 25.528 23.227 24.303 1.00 0.00 C ATOM 184 C TYR A 15 24.185 22.522 24.172 1.00 0.00 C ATOM 185 O TYR A 15 24.102 21.336 24.488 1.00 0.00 O ATOM 186 CB TYR A 15 26.234 23.295 22.952 1.00 0.00 C ATOM 187 CG TYR A 15 27.544 24.040 22.856 1.00 0.00 C ATOM 188 CD1 TYR A 15 28.765 23.392 23.079 1.00 0.00 C ATOM 189 CD2 TYR A 15 27.537 25.386 22.469 1.00 0.00 C ATOM 190 CE1 TYR A 15 29.967 24.090 22.919 1.00 0.00 C ATOM 191 CE2 TYR A 15 28.735 26.089 22.297 1.00 0.00 C ATOM 192 CZ TYR A 15 29.967 25.441 22.517 1.00 0.00 C ATOM 193 OH TYR A 15 31.144 26.080 22.258 1.00 0.00 O ATOM 0 H TYR A 15 26.297 21.506 25.155 1.00 0.00 H new ATOM 0 HA TYR A 15 25.327 24.231 24.678 1.00 0.00 H new ATOM 0 HB2 TYR A 15 26.410 22.272 22.619 1.00 0.00 H new ATOM 0 HB3 TYR A 15 25.543 23.747 22.240 1.00 0.00 H new ATOM 0 HD1 TYR A 15 28.779 22.353 23.375 1.00 0.00 H new ATOM 0 HD2 TYR A 15 26.595 25.888 22.301 1.00 0.00 H new ATOM 0 HE1 TYR A 15 30.905 23.588 23.106 1.00 0.00 H new ATOM 0 HE2 TYR A 15 28.715 27.126 21.996 1.00 0.00 H new ATOM 0 HH TYR A 15 30.962 27.006 21.992 1.00 0.00 H new ATOM 203 N TRP A 16 23.103 23.195 23.773 1.00 0.00 N ATOM 204 CA TRP A 16 21.752 22.681 23.669 1.00 0.00 C ATOM 205 C TRP A 16 21.669 21.496 22.718 1.00 0.00 C ATOM 206 O TRP A 16 22.431 21.383 21.761 1.00 0.00 O ATOM 207 CB TRP A 16 20.788 23.812 23.323 1.00 0.00 C ATOM 208 CG TRP A 16 20.386 24.757 24.411 1.00 0.00 C ATOM 209 CD1 TRP A 16 21.131 25.606 25.155 1.00 0.00 C ATOM 210 CD2 TRP A 16 19.021 25.031 24.848 1.00 0.00 C ATOM 211 NE1 TRP A 16 20.358 26.305 26.061 1.00 0.00 N ATOM 212 CE2 TRP A 16 19.024 25.990 25.893 1.00 0.00 C ATOM 213 CE3 TRP A 16 17.771 24.635 24.345 1.00 0.00 C ATOM 214 CZ2 TRP A 16 17.828 26.445 26.460 1.00 0.00 C ATOM 215 CZ3 TRP A 16 16.585 25.056 24.959 1.00 0.00 C ATOM 216 CH2 TRP A 16 16.587 25.969 26.021 1.00 0.00 C ATOM 0 H TRP A 16 23.160 24.176 23.498 1.00 0.00 H new ATOM 0 HA TRP A 16 21.446 22.287 24.638 1.00 0.00 H new ATOM 0 HB2 TRP A 16 21.237 24.399 22.522 1.00 0.00 H new ATOM 0 HB3 TRP A 16 19.880 23.364 22.919 1.00 0.00 H new ATOM 0 HD1 TRP A 16 22.200 25.723 25.053 1.00 0.00 H new ATOM 0 HE1 TRP A 16 20.720 26.960 26.754 1.00 0.00 H new ATOM 0 HE3 TRP A 16 17.724 23.998 23.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 17.863 27.178 27.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 15.643 24.666 24.604 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.666 26.293 26.483 1.00 0.00 H new ATOM 227 N ASP A 17 20.713 20.622 23.045 1.00 0.00 N ATOM 228 CA ASP A 17 20.323 19.412 22.351 1.00 0.00 C ATOM 229 C ASP A 17 18.983 19.661 21.674 1.00 0.00 C ATOM 230 O ASP A 17 17.933 19.426 22.270 1.00 0.00 O ATOM 231 CB ASP A 17 20.307 18.180 23.249 1.00 0.00 C ATOM 232 CG ASP A 17 19.824 18.284 24.690 1.00 0.00 C ATOM 233 OD1 ASP A 17 19.259 19.327 25.083 1.00 0.00 O ATOM 234 OD2 ASP A 17 19.953 17.267 25.404 1.00 0.00 O1- ATOM 0 H ASP A 17 20.146 20.766 23.881 1.00 0.00 H new ATOM 0 HA ASP A 17 21.075 19.181 21.597 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.690 17.429 22.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 21.324 17.788 23.277 1.00 0.00 H new ATOM 239 N GLN A 18 19.027 20.169 20.441 1.00 0.00 N ATOM 240 CA GLN A 18 17.886 20.127 19.549 1.00 0.00 C ATOM 241 C GLN A 18 18.295 19.667 18.157 1.00 0.00 C ATOM 242 O GLN A 18 19.324 20.085 17.631 1.00 0.00 O ATOM 243 CB GLN A 18 17.089 21.429 19.517 1.00 0.00 C ATOM 244 CG GLN A 18 17.849 22.715 19.206 1.00 0.00 C ATOM 245 CD GLN A 18 16.952 23.894 18.854 1.00 0.00 C ATOM 246 OE1 GLN A 18 17.312 24.765 18.065 1.00 0.00 O ATOM 247 NE2 GLN A 18 15.745 24.054 19.401 1.00 0.00 N ATOM 0 H GLN A 18 19.852 20.616 20.043 1.00 0.00 H new ATOM 0 HA GLN A 18 17.201 19.384 19.959 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.297 21.320 18.777 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.605 21.551 20.486 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.460 22.981 20.068 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.531 22.530 18.376 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.390 23.365 20.064 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.178 24.866 19.156 1.00 0.00 H new