USER MOD reduce.3.24.130724 H: found=0, std=0, add=121, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 123 hydrogens (15 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 7 GLNHE22 : A 7 GLN NE2 : A 17 LNK C5 :(H bumps) USER MOD NoAdj-H: A 15 GLNHE22 : A 15 GLN NE2 : A 17 LNK C1 :(H bumps) USER MOD NoAdj-H: A 17 LNK H23 : A 17 LNK C5 : A 7 GLN NE2 :(H bumps) USER MOD NoAdj-H: A 17 LNK H12 : A 17 LNK C1 : A 15 GLN NE2 :(H bumps) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.0192 (180deg=-0.194) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 1.184 11.461 -6.183 1.00 0.00 C HETATM 2 O ACE A 3 2.154 11.487 -5.428 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.724 12.734 -6.882 1.00 0.00 C HETATM 0 H1 ACE A 3 0.774 12.594 -7.962 1.00 0.00 H new HETATM 0 H2 ACE A 3 -0.303 12.958 -6.592 1.00 0.00 H new HETATM 0 H3 ACE A 3 1.371 13.562 -6.593 1.00 0.00 H new ATOM 7 N ARG A 4 0.480 10.353 -6.442 1.00 0.00 N ATOM 8 CA ARG A 4 0.774 9.044 -5.875 1.00 0.00 C ATOM 9 C ARG A 4 0.730 7.991 -6.989 1.00 0.00 C ATOM 10 O ARG A 4 -0.248 7.251 -7.090 1.00 0.00 O ATOM 11 CB ARG A 4 -0.218 8.733 -4.742 1.00 0.00 C ATOM 12 CG ARG A 4 -0.070 9.724 -3.578 1.00 0.00 C ATOM 13 CD ARG A 4 -0.875 9.269 -2.355 1.00 0.00 C ATOM 14 NE ARG A 4 -2.315 9.190 -2.638 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.168 10.228 -2.640 1.00 0.00 C ATOM 16 NH1 ARG A 4 -2.737 11.481 -2.441 1.00 0.00 N ATOM 17 NH2 ARG A 4 -4.474 10.008 -2.843 1.00 0.00 N ATOM 0 H ARG A 4 -0.327 10.348 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 4 1.774 9.033 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.237 8.772 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.053 7.718 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.982 9.818 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.409 10.711 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.516 8.293 -2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.706 9.963 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.699 8.269 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.745 11.660 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.401 12.256 -2.446 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.814 9.058 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.129 10.790 -2.846 1.00 0.00 H new ATOM 31 N PRO A 5 1.776 7.906 -7.833 1.00 0.00 N ATOM 32 CA PRO A 5 1.866 6.937 -8.916 1.00 0.00 C ATOM 33 C PRO A 5 2.225 5.560 -8.352 1.00 0.00 C ATOM 34 O PRO A 5 3.366 5.118 -8.456 1.00 0.00 O ATOM 35 CB PRO A 5 2.936 7.497 -9.859 1.00 0.00 C ATOM 36 CG PRO A 5 3.886 8.224 -8.909 1.00 0.00 C ATOM 37 CD PRO A 5 2.939 8.786 -7.847 1.00 0.00 C ATOM 0 HA PRO A 5 0.927 6.795 -9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.444 6.705 -10.409 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.508 8.174 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.622 7.547 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.439 9.014 -9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.421 8.810 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.650 9.810 -8.085 1.00 0.00 H new ATOM 45 N LEU A 6 1.233 4.876 -7.771 1.00 0.00 N ATOM 46 CA LEU A 6 1.353 3.501 -7.302 1.00 0.00 C ATOM 47 C LEU A 6 0.966 2.500 -8.400 1.00 0.00 C ATOM 48 O LEU A 6 0.694 1.343 -8.091 1.00 0.00 O ATOM 49 CB LEU A 6 0.481 3.296 -6.053 1.00 0.00 C ATOM 50 CG LEU A 6 0.712 4.328 -4.936 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.182 3.974 -3.742 1.00 0.00 C ATOM 52 CD2 LEU A 6 2.174 4.376 -4.478 1.00 0.00 C ATOM 0 H LEU A 6 0.308 5.275 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 6 2.396 3.318 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.568 3.328 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.669 2.299 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 6 0.463 5.312 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.027 4.699 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.227 3.993 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.071 2.977 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.284 5.120 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.469 3.398 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.811 4.645 -5.321 1.00 0.00 H new ATOM 64 N GLN A 7 0.930 2.923 -9.672 1.00 0.00 N ATOM 65 CA GLN A 7 0.548 2.069 -10.789 1.00 0.00 C ATOM 66 C GLN A 7 1.528 0.905 -10.923 1.00 0.00 C ATOM 67 O GLN A 7 1.112 -0.249 -10.928 1.00 0.00 O ATOM 68 CB GLN A 7 0.499 2.899 -12.080 1.00 0.00 C ATOM 69 CG GLN A 7 -0.009 2.098 -13.288 1.00 0.00 C ATOM 70 CD GLN A 7 -1.520 1.884 -13.248 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.261 2.717 -13.767 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.986 0.784 -12.640 1.00 0.00 N ATOM 0 H GLN A 7 1.168 3.875 -9.949 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.443 1.654 -10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.147 3.763 -11.926 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.496 3.282 -12.298 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.257 2.622 -14.206 1.00 0.00 H new ATOM 0 HG3 GLN A 7 0.492 1.130 -13.316 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.336 0.118 -12.222 1.00 0.00 H new ATOM 80 N TRP A 8 2.825 1.220 -11.019 1.00 0.00 N ATOM 81 CA TRP A 8 3.900 0.236 -11.111 1.00 0.00 C ATOM 82 C TRP A 8 3.831 -0.758 -9.944 1.00 0.00 C ATOM 83 O TRP A 8 4.026 -1.958 -10.127 1.00 0.00 O ATOM 84 CB TRP A 8 5.253 0.963 -11.143 1.00 0.00 C ATOM 85 CG TRP A 8 5.624 1.661 -9.870 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.239 2.906 -9.515 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.338 1.123 -8.717 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.627 3.166 -8.217 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.295 2.088 -7.669 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.976 -0.104 -8.436 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.843 1.839 -6.401 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.546 -0.357 -7.175 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.468 0.606 -6.155 1.00 0.00 C ATOM 0 H TRP A 8 3.158 2.184 -11.035 1.00 0.00 H new ATOM 0 HA TRP A 8 3.786 -0.337 -12.031 1.00 0.00 H new ATOM 0 HB2 TRP A 8 6.032 0.240 -11.384 1.00 0.00 H new ATOM 0 HB3 TRP A 8 5.237 1.695 -11.950 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.706 3.596 -10.153 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.444 4.041 -7.725 1.00 0.00 H new ATOM 0 HE3 TRP A 8 7.028 -0.863 -9.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 6.785 2.587 -5.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 8.046 -1.296 -6.990 1.00 0.00 H new ATOM 0 HH2 TRP A 8 7.889 0.398 -5.182 1.00 0.00 H new ATOM 104 N LEU A 9 3.544 -0.234 -8.747 1.00 0.00 N ATOM 105 CA LEU A 9 3.478 -0.972 -7.499 1.00 0.00 C ATOM 106 C LEU A 9 2.322 -1.973 -7.574 1.00 0.00 C ATOM 107 O LEU A 9 2.507 -3.159 -7.315 1.00 0.00 O ATOM 108 CB LEU A 9 3.326 0.048 -6.352 1.00 0.00 C ATOM 109 CG LEU A 9 4.047 -0.351 -5.055 1.00 0.00 C ATOM 110 CD1 LEU A 9 4.041 0.830 -4.079 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.380 -1.546 -4.376 1.00 0.00 C ATOM 0 H LEU A 9 3.344 0.759 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 9 4.383 -1.550 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.709 1.013 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.266 0.182 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 9 5.067 -0.629 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.553 0.545 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.554 1.679 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.012 1.108 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.921 -1.795 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.348 -1.295 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.394 -2.402 -5.051 1.00 0.00 H new ATOM 123 N ALA A 10 1.139 -1.496 -7.975 1.00 0.00 N ATOM 124 CA ALA A 10 -0.064 -2.300 -8.104 1.00 0.00 C ATOM 125 C ALA A 10 0.098 -3.395 -9.158 1.00 0.00 C ATOM 126 O ALA A 10 -0.238 -4.542 -8.891 1.00 0.00 O ATOM 127 CB ALA A 10 -1.254 -1.395 -8.421 1.00 0.00 C ATOM 0 H ALA A 10 0.996 -0.517 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.247 -2.804 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.156 -2.000 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.386 -0.672 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.070 -0.866 -9.356 1.00 0.00 H new ATOM 133 N GLU A 11 0.619 -3.055 -10.342 1.00 0.00 N ATOM 134 CA GLU A 11 0.857 -4.007 -11.421 1.00 0.00 C ATOM 135 C GLU A 11 1.730 -5.181 -10.969 1.00 0.00 C ATOM 136 O GLU A 11 1.509 -6.308 -11.407 1.00 0.00 O ATOM 137 CB GLU A 11 1.498 -3.292 -12.614 1.00 0.00 C ATOM 138 CG GLU A 11 0.474 -2.415 -13.342 1.00 0.00 C ATOM 139 CD GLU A 11 1.124 -1.636 -14.481 1.00 0.00 C ATOM 140 OE1 GLU A 11 2.036 -0.834 -14.178 1.00 0.00 O ATOM 141 OE2 GLU A 11 0.699 -1.854 -15.635 1.00 0.00 O ATOM 0 H GLU A 11 0.889 -2.099 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.107 -4.419 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.330 -2.677 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.909 -4.027 -13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.328 -3.039 -13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.019 -1.720 -12.636 1.00 0.00 H new ATOM 148 N LYS A 12 2.716 -4.924 -10.102 1.00 0.00 N ATOM 149 CA LYS A 12 3.574 -5.959 -9.548 1.00 0.00 C ATOM 150 C LYS A 12 2.837 -6.740 -8.456 1.00 0.00 C ATOM 151 O LYS A 12 2.617 -7.941 -8.597 1.00 0.00 O ATOM 152 CB LYS A 12 4.865 -5.322 -9.019 1.00 0.00 C ATOM 153 CG LYS A 12 5.737 -4.826 -10.176 1.00 0.00 C ATOM 154 CD LYS A 12 6.913 -4.008 -9.631 1.00 0.00 C ATOM 155 CE LYS A 12 7.801 -3.463 -10.756 1.00 0.00 C ATOM 156 NZ LYS A 12 7.063 -2.558 -11.654 1.00 0.00 N ATOM 0 H LYS A 12 2.936 -3.986 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 12 3.839 -6.671 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.622 -4.490 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.419 -6.049 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.108 -5.674 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.142 -4.215 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.533 -3.179 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.511 -4.631 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.649 -2.932 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.206 -4.294 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.733 -2.070 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.391 -3.108 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.544 -1.856 -11.089 1.00 0.00 H new ATOM 170 N TYR A 13 2.481 -6.062 -7.359 1.00 0.00 N ATOM 171 CA TYR A 13 1.923 -6.681 -6.165 1.00 0.00 C ATOM 172 C TYR A 13 0.431 -6.970 -6.345 1.00 0.00 C ATOM 173 O TYR A 13 0.020 -8.129 -6.365 1.00 0.00 O ATOM 174 CB TYR A 13 2.161 -5.776 -4.946 1.00 0.00 C ATOM 175 CG TYR A 13 3.595 -5.735 -4.445 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.563 -4.953 -5.104 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.949 -6.431 -3.273 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.861 -4.837 -4.579 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.254 -6.333 -2.759 1.00 0.00 C ATOM 180 CZ TYR A 13 6.208 -5.530 -3.408 1.00 0.00 C ATOM 181 OH TYR A 13 7.471 -5.417 -2.904 1.00 0.00 O ATOM 0 H TYR A 13 2.577 -5.050 -7.281 1.00 0.00 H new ATOM 0 HA TYR A 13 2.427 -7.633 -5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.852 -4.762 -5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.518 -6.111 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.306 -4.439 -6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.216 -7.042 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.591 -4.215 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.524 -6.875 -1.865 1.00 0.00 H new ATOM 0 HH TYR A 13 7.548 -5.958 -2.090 1.00 0.00 H new ATOM 191 N PHE A 14 -0.380 -5.911 -6.440 1.00 0.00 N ATOM 192 CA PHE A 14 -1.836 -5.980 -6.411 1.00 0.00 C ATOM 193 C PHE A 14 -2.393 -6.315 -7.801 1.00 0.00 C ATOM 194 O PHE A 14 -3.161 -5.543 -8.373 1.00 0.00 O ATOM 195 CB PHE A 14 -2.393 -4.653 -5.862 1.00 0.00 C ATOM 196 CG PHE A 14 -1.693 -4.109 -4.622 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.312 -4.973 -3.575 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.367 -2.740 -4.541 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.542 -4.488 -2.503 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.611 -2.252 -3.460 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.182 -3.130 -2.451 1.00 0.00 C ATOM 0 H PHE A 14 -0.028 -4.959 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.155 -6.784 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.335 -3.902 -6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.449 -4.791 -5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.612 -6.010 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.700 -2.062 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.227 -5.160 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.361 -1.203 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.424 -2.762 -1.636 1.00 0.00 H new ATOM 211 N GLN A 15 -1.996 -7.474 -8.344 1.00 0.00 N ATOM 212 CA GLN A 15 -2.377 -7.914 -9.679 1.00 0.00 C ATOM 213 C GLN A 15 -2.304 -9.439 -9.770 1.00 0.00 C ATOM 214 O GLN A 15 -3.259 -10.080 -10.201 1.00 0.00 O ATOM 215 CB GLN A 15 -1.463 -7.241 -10.715 1.00 0.00 C ATOM 216 CG GLN A 15 -2.034 -7.258 -12.139 1.00 0.00 C ATOM 217 CD GLN A 15 -3.347 -6.485 -12.252 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.370 -7.069 -12.604 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.325 -5.181 -11.942 1.00 0.00 N ATOM 0 H GLN A 15 -1.393 -8.136 -7.856 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.406 -7.621 -9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.287 -6.208 -10.415 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.495 -7.743 -10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.304 -6.829 -12.825 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.196 -8.290 -12.450 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.451 -4.740 -11.655 1.00 0.00 H new HETATM 227 N NH2 A 16 -1.175 -10.026 -9.364 1.00 0.00 N TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.531 -4.370 -11.923 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.286 -3.016 -11.245 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.620 -1.983 -12.167 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.723 -0.592 -11.525 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.417 0.554 -12.497 1.00 0.00 C HETATM 0 H52 LNK A 17 -4.123 0.525 -13.327 1.00 0.00 H new HETATM 0 H51 LNK A 17 -3.509 1.507 -11.976 1.00 0.00 H new HETATM 0 H42 LNK A 17 -4.728 -0.459 -11.124 1.00 0.00 H new HETATM 0 H41 LNK A 17 -3.034 -0.537 -10.683 1.00 0.00 H new HETATM 0 H32 LNK A 17 -2.575 -2.245 -12.331 1.00 0.00 H new HETATM 0 H31 LNK A 17 -4.105 -1.983 -13.143 1.00 0.00 H new HETATM 0 H22 LNK A 17 -5.237 -2.617 -10.892 1.00 0.00 H new HETATM 0 H21 LNK A 17 -3.658 -3.166 -10.367 1.00 0.00 H new HETATM 0 H13 LNK A 17 -5.184 -4.232 -12.785 1.00 0.00 H new HETATM 0 H11 LNK A 17 -5.003 -5.051 -11.215 1.00 0.00 H new