USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 133 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 181 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.65) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : A 187 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-0.75) USER MOD Single : A 188 THR OG1 : rot 78:sc= 0.349 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot 91:sc= 0.928 USER MOD Single : A 193 THR OG1 : rot 47:sc= -0.569 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.131 0.565 -3.722 1.00 0.00 N ATOM 2 CA VAL A 180 -9.781 -0.843 -3.814 1.00 0.00 C ATOM 3 C VAL A 180 -8.286 -0.974 -4.110 1.00 0.00 C ATOM 4 O VAL A 180 -7.851 -1.962 -4.702 1.00 0.00 O ATOM 5 CB VAL A 180 -10.661 -1.534 -4.858 1.00 0.00 C ATOM 6 CG1 VAL A 180 -10.471 -3.051 -4.817 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.132 -1.160 -4.668 1.00 0.00 C ATOM 0 HA VAL A 180 -9.970 -1.346 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.351 -1.184 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.108 -3.518 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -9.428 -3.293 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -10.741 -3.425 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.736 -1.664 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.460 -1.468 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.249 -0.081 -4.771 1.00 0.00 H new ATOM 17 N ASN A 181 -7.540 0.035 -3.687 1.00 0.00 N ATOM 18 CA ASN A 181 -6.103 0.045 -3.900 1.00 0.00 C ATOM 19 C ASN A 181 -5.441 0.934 -2.844 1.00 0.00 C ATOM 20 O ASN A 181 -4.388 1.518 -3.091 1.00 0.00 O ATOM 21 CB ASN A 181 -5.754 0.609 -5.278 1.00 0.00 C ATOM 22 CG ASN A 181 -5.983 2.122 -5.325 1.00 0.00 C ATOM 23 OD1 ASN A 181 -5.059 2.917 -5.276 1.00 0.00 O ATOM 24 ND2 ASN A 181 -7.262 2.472 -5.424 1.00 0.00 N ATOM 0 H ASN A 181 -7.904 0.852 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 181 -5.745 -0.982 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -4.713 0.388 -5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.363 0.122 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -7.519 3.458 -5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -7.986 1.754 -5.460 1.00 0.00 H new ATOM 31 N ILE A 182 -6.087 1.006 -1.689 1.00 0.00 N ATOM 32 CA ILE A 182 -5.574 1.813 -0.595 1.00 0.00 C ATOM 33 C ILE A 182 -4.485 1.031 0.144 1.00 0.00 C ATOM 34 O ILE A 182 -3.326 1.441 0.162 1.00 0.00 O ATOM 35 CB ILE A 182 -6.718 2.278 0.309 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.439 3.483 -0.296 1.00 0.00 C ATOM 37 CG2 ILE A 182 -6.215 2.563 1.726 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.631 3.039 -1.146 1.00 0.00 C ATOM 0 H ILE A 182 -6.960 0.519 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.110 2.722 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.446 1.470 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.782 4.144 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.744 4.057 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -7.047 2.892 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.783 1.656 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.456 3.345 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.126 3.915 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.282 2.398 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.336 2.487 -0.524 1.00 0.00 H new ATOM 50 N THR A 183 -4.898 -0.081 0.735 1.00 0.00 N ATOM 51 CA THR A 183 -3.973 -0.924 1.473 1.00 0.00 C ATOM 52 C THR A 183 -2.943 -1.543 0.525 1.00 0.00 C ATOM 53 O THR A 183 -1.762 -1.631 0.858 1.00 0.00 O ATOM 54 CB THR A 183 -4.791 -1.962 2.243 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.001 -2.240 3.396 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.868 -3.305 1.513 1.00 0.00 C ATOM 0 H THR A 183 -5.861 -0.417 0.718 1.00 0.00 H new ATOM 0 HA THR A 183 -3.397 -0.343 2.194 1.00 0.00 H new ATOM 0 HB THR A 183 -5.798 -1.580 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 183 -4.458 -2.904 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.460 -4.006 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 183 -5.337 -3.163 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.863 -3.703 1.377 1.00 0.00 H new ATOM 64 N ILE A 184 -3.428 -1.954 -0.638 1.00 0.00 N ATOM 65 CA ILE A 184 -2.565 -2.561 -1.636 1.00 0.00 C ATOM 66 C ILE A 184 -1.430 -1.594 -1.979 1.00 0.00 C ATOM 67 O ILE A 184 -0.276 -1.836 -1.627 1.00 0.00 O ATOM 68 CB ILE A 184 -3.381 -3.007 -2.850 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.188 -4.269 -2.536 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.485 -3.191 -4.077 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.640 -4.119 -2.996 1.00 0.00 C ATOM 0 H ILE A 184 -4.408 -1.878 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.104 -3.466 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.095 -2.219 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.733 -5.128 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.161 -4.465 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.091 -3.508 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.994 -2.247 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.731 -3.949 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.192 -5.029 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.099 -3.274 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.665 -3.947 -4.072 1.00 0.00 H new ATOM 83 N LYS A 185 -1.797 -0.520 -2.663 1.00 0.00 N ATOM 84 CA LYS A 185 -0.824 0.485 -3.057 1.00 0.00 C ATOM 85 C LYS A 185 0.113 0.770 -1.882 1.00 0.00 C ATOM 86 O LYS A 185 1.281 1.099 -2.081 1.00 0.00 O ATOM 87 CB LYS A 185 -1.529 1.730 -3.598 1.00 0.00 C ATOM 88 CG LYS A 185 -0.536 2.666 -4.288 1.00 0.00 C ATOM 89 CD LYS A 185 0.261 3.473 -3.261 1.00 0.00 C ATOM 90 CE LYS A 185 0.040 4.975 -3.452 1.00 0.00 C ATOM 91 NZ LYS A 185 1.226 5.735 -3.000 1.00 0.00 N ATOM 0 H LYS A 185 -2.755 -0.324 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.206 0.116 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.306 1.435 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -2.023 2.256 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.146 2.085 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.071 3.344 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.038 3.183 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 185 1.322 3.243 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.158 5.189 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.839 5.293 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.059 6.752 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.397 5.544 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 2.057 5.443 -3.553 1.00 0.00 H new ATOM 105 N GLN A 186 -0.434 0.633 -0.683 1.00 0.00 N ATOM 106 CA GLN A 186 0.338 0.872 0.524 1.00 0.00 C ATOM 107 C GLN A 186 1.301 -0.290 0.776 1.00 0.00 C ATOM 108 O GLN A 186 2.497 -0.078 0.972 1.00 0.00 O ATOM 109 CB GLN A 186 -0.579 1.096 1.727 1.00 0.00 C ATOM 110 CG GLN A 186 -0.500 2.543 2.216 1.00 0.00 C ATOM 111 CD GLN A 186 0.310 2.640 3.510 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.274 1.769 4.363 1.00 0.00 O ATOM 113 NE2 GLN A 186 1.041 3.747 3.608 1.00 0.00 N ATOM 0 H GLN A 186 -1.403 0.359 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 186 0.924 1.780 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.607 0.856 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.297 0.420 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.041 3.166 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.505 2.930 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 186 1.025 4.437 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.617 3.906 4.435 1.00 0.00 H new ATOM 122 N HIS A 187 0.744 -1.492 0.764 1.00 0.00 N ATOM 123 CA HIS A 187 1.538 -2.688 0.989 1.00 0.00 C ATOM 124 C HIS A 187 2.621 -2.794 -0.086 1.00 0.00 C ATOM 125 O HIS A 187 3.577 -3.554 0.064 1.00 0.00 O ATOM 126 CB HIS A 187 0.645 -3.928 1.056 1.00 0.00 C ATOM 127 CG HIS A 187 1.400 -5.215 1.290 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.249 -5.974 2.439 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.309 -5.870 0.513 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.038 -7.033 2.346 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.695 -6.967 1.152 1.00 0.00 N ATOM 0 H HIS A 187 -0.248 -1.663 0.602 1.00 0.00 H new ATOM 0 HA HIS A 187 2.039 -2.620 1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.084 -3.796 1.855 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.085 -4.011 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.656 -5.550 -0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.143 -7.813 3.086 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.371 -7.648 0.807 1.00 0.00 H new ATOM 140 N THR A 188 2.437 -2.022 -1.146 1.00 0.00 N ATOM 141 CA THR A 188 3.386 -2.020 -2.246 1.00 0.00 C ATOM 142 C THR A 188 4.551 -1.076 -1.942 1.00 0.00 C ATOM 143 O THR A 188 5.624 -1.199 -2.533 1.00 0.00 O ATOM 144 CB THR A 188 2.628 -1.656 -3.524 1.00 0.00 C ATOM 145 OG1 THR A 188 1.715 -2.735 -3.706 1.00 0.00 O ATOM 146 CG2 THR A 188 3.518 -1.707 -4.767 1.00 0.00 C ATOM 0 H THR A 188 1.644 -1.392 -1.267 1.00 0.00 H new ATOM 0 HA THR A 188 3.833 -3.005 -2.385 1.00 0.00 H new ATOM 0 HB THR A 188 2.204 -0.657 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.958 -2.630 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.931 -1.440 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.342 -1.003 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.916 -2.714 -4.888 1.00 0.00 H new ATOM 154 N VAL A 189 4.303 -0.157 -1.021 1.00 0.00 N ATOM 155 CA VAL A 189 5.319 0.806 -0.632 1.00 0.00 C ATOM 156 C VAL A 189 6.359 0.114 0.253 1.00 0.00 C ATOM 157 O VAL A 189 7.523 0.510 0.273 1.00 0.00 O ATOM 158 CB VAL A 189 4.664 2.012 0.046 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.655 2.728 0.966 1.00 0.00 C ATOM 160 CG2 VAL A 189 4.083 2.975 -0.991 1.00 0.00 C ATOM 0 H VAL A 189 3.413 -0.059 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 189 5.841 1.187 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 189 3.841 1.646 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.165 3.581 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.000 2.038 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.507 3.075 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.624 3.823 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.880 3.331 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.331 2.458 -1.587 1.00 0.00 H new ATOM 170 N THR A 190 5.901 -0.906 0.963 1.00 0.00 N ATOM 171 CA THR A 190 6.776 -1.656 1.847 1.00 0.00 C ATOM 172 C THR A 190 7.857 -2.377 1.040 1.00 0.00 C ATOM 173 O THR A 190 9.015 -2.425 1.451 1.00 0.00 O ATOM 174 CB THR A 190 5.909 -2.600 2.682 1.00 0.00 C ATOM 175 OG1 THR A 190 5.017 -1.731 3.374 1.00 0.00 O ATOM 176 CG2 THR A 190 6.699 -3.289 3.796 1.00 0.00 C ATOM 0 H THR A 190 4.934 -1.231 0.944 1.00 0.00 H new ATOM 0 HA THR A 190 7.310 -0.995 2.529 1.00 0.00 H new ATOM 0 HB THR A 190 5.465 -3.355 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.416 -2.261 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.037 -3.947 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.508 -3.875 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.116 -2.537 4.465 1.00 0.00 H new ATOM 184 N THR A 191 7.440 -2.922 -0.094 1.00 0.00 N ATOM 185 CA THR A 191 8.359 -3.639 -0.962 1.00 0.00 C ATOM 186 C THR A 191 9.025 -2.675 -1.946 1.00 0.00 C ATOM 187 O THR A 191 10.208 -2.816 -2.254 1.00 0.00 O ATOM 188 CB THR A 191 7.581 -4.764 -1.647 1.00 0.00 C ATOM 189 OG1 THR A 191 8.586 -5.533 -2.302 1.00 0.00 O ATOM 190 CG2 THR A 191 6.698 -4.255 -2.788 1.00 0.00 C ATOM 0 H THR A 191 6.478 -2.881 -0.432 1.00 0.00 H new ATOM 0 HA THR A 191 9.173 -4.087 -0.392 1.00 0.00 H new ATOM 0 HB THR A 191 6.962 -5.277 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 191 8.168 -6.286 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.168 -5.094 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 191 5.976 -3.538 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.320 -3.771 -3.541 1.00 0.00 H new ATOM 198 N THR A 192 8.237 -1.717 -2.412 1.00 0.00 N ATOM 199 CA THR A 192 8.736 -0.730 -3.354 1.00 0.00 C ATOM 200 C THR A 192 9.473 0.388 -2.615 1.00 0.00 C ATOM 201 O THR A 192 10.024 1.293 -3.240 1.00 0.00 O ATOM 202 CB THR A 192 7.554 -0.231 -4.187 1.00 0.00 C ATOM 203 OG1 THR A 192 7.002 -1.417 -4.752 1.00 0.00 O ATOM 204 CG2 THR A 192 7.996 0.589 -5.400 1.00 0.00 C ATOM 0 H THR A 192 7.257 -1.604 -2.155 1.00 0.00 H new ATOM 0 HA THR A 192 9.469 -1.167 -4.032 1.00 0.00 H new ATOM 0 HB THR A 192 6.899 0.374 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.307 -1.770 -4.158 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.118 0.918 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 192 8.561 1.459 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.625 -0.025 -6.045 1.00 0.00 H new ATOM 212 N THR A 193 9.460 0.289 -1.294 1.00 0.00 N ATOM 213 CA THR A 193 10.121 1.282 -0.463 1.00 0.00 C ATOM 214 C THR A 193 9.903 2.685 -1.032 1.00 0.00 C ATOM 215 O THR A 193 10.856 3.442 -1.207 1.00 0.00 O ATOM 216 CB THR A 193 11.596 0.895 -0.348 1.00 0.00 C ATOM 217 OG1 THR A 193 12.022 0.742 -1.699 1.00 0.00 O ATOM 218 CG2 THR A 193 11.792 -0.494 0.263 1.00 0.00 C ATOM 0 H THR A 193 9.003 -0.463 -0.778 1.00 0.00 H new ATOM 0 HA THR A 193 9.696 1.304 0.541 1.00 0.00 H new ATOM 0 HB THR A 193 12.118 1.635 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.712 1.507 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.857 -0.719 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.361 -0.515 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.298 -1.239 -0.361 1.00 0.00 H new ATOM 226 N LYS A 194 8.643 2.989 -1.305 1.00 0.00 N ATOM 227 CA LYS A 194 8.287 4.288 -1.851 1.00 0.00 C ATOM 228 C LYS A 194 8.552 5.367 -0.800 1.00 0.00 C ATOM 229 O LYS A 194 9.305 6.309 -1.048 1.00 0.00 O ATOM 230 CB LYS A 194 6.849 4.275 -2.371 1.00 0.00 C ATOM 231 CG LYS A 194 6.621 5.399 -3.383 1.00 0.00 C ATOM 232 CD LYS A 194 6.089 6.658 -2.695 1.00 0.00 C ATOM 233 CE LYS A 194 4.582 6.807 -2.912 1.00 0.00 C ATOM 234 NZ LYS A 194 4.125 8.145 -2.476 1.00 0.00 N ATOM 0 H LYS A 194 7.855 2.358 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 194 8.910 4.523 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.636 3.313 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.156 4.386 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 194 7.556 5.628 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.913 5.070 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 194 6.303 6.611 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 194 6.605 7.535 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 194 4.344 6.661 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 194 4.050 6.035 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 3.100 8.229 -2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 4.334 8.271 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.619 8.877 -3.026 1.00 0.00 H new ATOM 248 N GLY A 195 7.919 5.195 0.351 1.00 0.00 N ATOM 249 CA GLY A 195 8.077 6.144 1.441 1.00 0.00 C ATOM 250 C GLY A 195 6.991 7.221 1.391 1.00 0.00 C ATOM 251 O GLY A 195 5.852 6.978 1.787 1.00 0.00 O ATOM 0 H GLY A 195 7.296 4.413 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.030 5.619 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.060 6.611 1.382 1.00 0.00 H new TER 255 GLY A 195