USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=7 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= -0.573 K(o=-0.57,f=-0.071) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.301) USER MOD Single : A 186 GLN : amide:sc=-0.00913 X(o=-0.0091,f=-0.033) USER MOD Single : A 187 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.046) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -18:sc= 0.21! USER MOD Single : A 192 THR OG1 : rot 80:sc= 0.592 USER MOD Single : A 193 THR OG1 : rot -63:sc= 0.033 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.739 0.476 -2.711 1.00 0.00 N ATOM 2 CA VAL A 180 -10.295 -0.814 -2.210 1.00 0.00 C ATOM 3 C VAL A 180 -8.923 -1.141 -2.802 1.00 0.00 C ATOM 4 O VAL A 180 -8.618 -2.303 -3.065 1.00 0.00 O ATOM 5 CB VAL A 180 -11.347 -1.883 -2.510 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.056 -3.171 -1.738 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.756 -1.367 -2.207 1.00 0.00 C ATOM 0 HA VAL A 180 -10.182 -0.785 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.297 -2.113 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.819 -3.914 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.077 -3.554 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -11.064 -2.964 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -13.485 -2.147 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.825 -1.095 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.963 -0.491 -2.822 1.00 0.00 H new ATOM 17 N ASN A 181 -8.133 -0.096 -2.995 1.00 0.00 N ATOM 18 CA ASN A 181 -6.800 -0.257 -3.552 1.00 0.00 C ATOM 19 C ASN A 181 -5.820 0.635 -2.788 1.00 0.00 C ATOM 20 O ASN A 181 -4.727 0.921 -3.273 1.00 0.00 O ATOM 21 CB ASN A 181 -6.764 0.154 -5.024 1.00 0.00 C ATOM 22 CG ASN A 181 -6.992 1.660 -5.179 1.00 0.00 C ATOM 23 OD1 ASN A 181 -8.111 2.144 -5.213 1.00 0.00 O ATOM 24 ND2 ASN A 181 -5.871 2.369 -5.268 1.00 0.00 N ATOM 0 H ASN A 181 -8.390 0.866 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.524 -1.308 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -5.802 -0.118 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.529 -0.392 -5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -5.916 3.383 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -4.966 1.899 -5.232 1.00 0.00 H new ATOM 31 N ILE A 182 -6.249 1.051 -1.604 1.00 0.00 N ATOM 32 CA ILE A 182 -5.423 1.906 -0.768 1.00 0.00 C ATOM 33 C ILE A 182 -4.394 1.048 -0.028 1.00 0.00 C ATOM 34 O ILE A 182 -3.191 1.271 -0.150 1.00 0.00 O ATOM 35 CB ILE A 182 -6.296 2.755 0.157 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.868 3.965 -0.586 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.525 3.165 1.415 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.299 3.694 -1.053 1.00 0.00 C ATOM 0 H ILE A 182 -7.157 0.812 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.866 2.615 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.141 2.148 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.854 4.838 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.239 4.199 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.168 3.768 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.209 2.273 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.648 3.747 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.682 4.569 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.306 2.836 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.930 3.484 -0.189 1.00 0.00 H new ATOM 50 N THR A 183 -4.907 0.085 0.725 1.00 0.00 N ATOM 51 CA THR A 183 -4.048 -0.808 1.484 1.00 0.00 C ATOM 52 C THR A 183 -3.031 -1.483 0.562 1.00 0.00 C ATOM 53 O THR A 183 -1.858 -1.606 0.909 1.00 0.00 O ATOM 54 CB THR A 183 -4.942 -1.798 2.233 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.460 -1.042 3.324 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.142 -2.917 2.903 1.00 0.00 C ATOM 0 H THR A 183 -5.906 -0.096 0.825 1.00 0.00 H new ATOM 0 HA THR A 183 -3.458 -0.260 2.219 1.00 0.00 H new ATOM 0 HB THR A 183 -5.664 -2.231 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.052 -1.608 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.824 -3.592 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.588 -3.472 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.444 -2.486 3.621 1.00 0.00 H new ATOM 64 N ILE A 184 -3.519 -1.905 -0.596 1.00 0.00 N ATOM 65 CA ILE A 184 -2.669 -2.565 -1.571 1.00 0.00 C ATOM 66 C ILE A 184 -1.518 -1.632 -1.952 1.00 0.00 C ATOM 67 O ILE A 184 -0.366 -1.885 -1.600 1.00 0.00 O ATOM 68 CB ILE A 184 -3.494 -3.044 -2.766 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.560 -4.051 -2.329 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.591 -3.606 -3.867 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.942 -3.645 -2.844 1.00 0.00 C ATOM 0 H ILE A 184 -4.493 -1.802 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.224 -3.463 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.016 -2.184 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.305 -5.042 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.578 -4.117 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.203 -3.939 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.904 -2.830 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.022 -4.449 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.681 -4.378 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.205 -2.664 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.927 -3.603 -3.933 1.00 0.00 H new ATOM 83 N LYS A 185 -1.869 -0.572 -2.666 1.00 0.00 N ATOM 84 CA LYS A 185 -0.880 0.400 -3.098 1.00 0.00 C ATOM 85 C LYS A 185 0.083 0.689 -1.945 1.00 0.00 C ATOM 86 O LYS A 185 1.259 0.974 -2.170 1.00 0.00 O ATOM 87 CB LYS A 185 -1.565 1.651 -3.654 1.00 0.00 C ATOM 88 CG LYS A 185 -0.547 2.591 -4.303 1.00 0.00 C ATOM 89 CD LYS A 185 -1.240 3.592 -5.230 1.00 0.00 C ATOM 90 CE LYS A 185 -1.847 4.749 -4.432 1.00 0.00 C ATOM 91 NZ LYS A 185 -3.257 4.458 -4.092 1.00 0.00 N ATOM 0 H LYS A 185 -2.825 -0.365 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.285 -0.002 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.318 1.362 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -2.086 2.172 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.004 3.127 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 185 0.181 2.010 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.523 3.981 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -2.022 3.087 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.272 4.911 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -1.789 5.670 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -3.879 5.128 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -3.491 3.488 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -3.393 4.553 -3.065 1.00 0.00 H new ATOM 105 N GLN A 186 -0.450 0.605 -0.735 1.00 0.00 N ATOM 106 CA GLN A 186 0.349 0.853 0.454 1.00 0.00 C ATOM 107 C GLN A 186 1.273 -0.334 0.730 1.00 0.00 C ATOM 108 O GLN A 186 2.479 -0.160 0.898 1.00 0.00 O ATOM 109 CB GLN A 186 -0.544 1.145 1.661 1.00 0.00 C ATOM 110 CG GLN A 186 -0.409 2.605 2.102 1.00 0.00 C ATOM 111 CD GLN A 186 0.422 2.716 3.382 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.454 2.084 3.540 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.082 3.554 4.283 1.00 0.00 N ATOM 0 H GLN A 186 -1.425 0.369 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 186 0.966 1.734 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.583 0.932 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.274 0.486 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.060 3.187 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.398 3.032 2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.950 4.052 4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.400 3.699 5.170 1.00 0.00 H new ATOM 122 N HIS A 187 0.673 -1.514 0.767 1.00 0.00 N ATOM 123 CA HIS A 187 1.428 -2.730 1.020 1.00 0.00 C ATOM 124 C HIS A 187 2.583 -2.834 0.021 1.00 0.00 C ATOM 125 O HIS A 187 3.551 -3.554 0.258 1.00 0.00 O ATOM 126 CB HIS A 187 0.511 -3.954 0.996 1.00 0.00 C ATOM 127 CG HIS A 187 0.435 -4.690 2.312 1.00 0.00 C ATOM 128 ND1 HIS A 187 -0.737 -5.247 2.792 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.396 -4.955 3.242 1.00 0.00 C ATOM 130 CE1 HIS A 187 -0.482 -5.819 3.960 1.00 0.00 C ATOM 131 NE2 HIS A 187 0.842 -5.636 4.237 1.00 0.00 N ATOM 0 H HIS A 187 -0.327 -1.655 0.626 1.00 0.00 H new ATOM 0 HA HIS A 187 1.860 -2.693 2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.492 -3.638 0.710 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.860 -4.642 0.226 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.433 -4.660 3.179 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -1.196 -6.338 4.583 1.00 0.00 H new ATOM 0 HE2 HIS A 187 1.326 -5.968 5.071 1.00 0.00 H new ATOM 140 N THR A 188 2.442 -2.104 -1.076 1.00 0.00 N ATOM 141 CA THR A 188 3.460 -2.106 -2.112 1.00 0.00 C ATOM 142 C THR A 188 4.581 -1.125 -1.759 1.00 0.00 C ATOM 143 O THR A 188 5.693 -1.238 -2.271 1.00 0.00 O ATOM 144 CB THR A 188 2.779 -1.795 -3.446 1.00 0.00 C ATOM 145 OG1 THR A 188 1.973 -2.942 -3.699 1.00 0.00 O ATOM 146 CG2 THR A 188 3.765 -1.766 -4.615 1.00 0.00 C ATOM 0 H THR A 188 1.638 -1.507 -1.269 1.00 0.00 H new ATOM 0 HA THR A 188 3.938 -3.082 -2.195 1.00 0.00 H new ATOM 0 HB THR A 188 2.270 -0.834 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 188 1.494 -2.825 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.229 -1.541 -5.537 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.518 -0.999 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.251 -2.738 -4.705 1.00 0.00 H new ATOM 154 N VAL A 189 4.248 -0.184 -0.887 1.00 0.00 N ATOM 155 CA VAL A 189 5.212 0.815 -0.461 1.00 0.00 C ATOM 156 C VAL A 189 6.246 0.161 0.458 1.00 0.00 C ATOM 157 O VAL A 189 7.277 0.759 0.763 1.00 0.00 O ATOM 158 CB VAL A 189 4.488 1.992 0.197 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.480 2.919 0.905 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.652 2.764 -0.826 1.00 0.00 C ATOM 0 H VAL A 189 3.324 -0.093 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 189 5.749 1.218 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 189 3.809 1.589 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.940 3.747 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.013 2.362 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.194 3.309 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.148 3.595 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.303 3.149 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.909 2.099 -1.265 1.00 0.00 H new ATOM 170 N THR A 190 5.934 -1.058 0.873 1.00 0.00 N ATOM 171 CA THR A 190 6.823 -1.800 1.751 1.00 0.00 C ATOM 172 C THR A 190 8.009 -2.357 0.961 1.00 0.00 C ATOM 173 O THR A 190 9.152 -2.279 1.411 1.00 0.00 O ATOM 174 CB THR A 190 6.000 -2.882 2.454 1.00 0.00 C ATOM 175 OG1 THR A 190 5.113 -2.149 3.295 1.00 0.00 O ATOM 176 CG2 THR A 190 6.836 -3.713 3.429 1.00 0.00 C ATOM 0 H THR A 190 5.078 -1.550 0.618 1.00 0.00 H new ATOM 0 HA THR A 190 7.255 -1.153 2.514 1.00 0.00 H new ATOM 0 HB THR A 190 5.552 -3.540 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.540 -2.772 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.204 -4.466 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.644 -4.205 2.888 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.257 -3.061 4.195 1.00 0.00 H new ATOM 184 N THR A 191 7.697 -2.907 -0.203 1.00 0.00 N ATOM 185 CA THR A 191 8.723 -3.477 -1.060 1.00 0.00 C ATOM 186 C THR A 191 9.122 -2.480 -2.150 1.00 0.00 C ATOM 187 O THR A 191 10.126 -2.673 -2.834 1.00 0.00 O ATOM 188 CB THR A 191 8.195 -4.802 -1.613 1.00 0.00 C ATOM 189 OG1 THR A 191 9.174 -5.194 -2.571 1.00 0.00 O ATOM 190 CG2 THR A 191 6.917 -4.626 -2.436 1.00 0.00 C ATOM 0 H THR A 191 6.749 -2.970 -0.573 1.00 0.00 H new ATOM 0 HA THR A 191 9.636 -3.682 -0.501 1.00 0.00 H new ATOM 0 HB THR A 191 8.003 -5.488 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.722 -4.419 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.585 -5.597 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.138 -4.190 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.116 -3.966 -3.280 1.00 0.00 H new ATOM 198 N THR A 192 8.316 -1.437 -2.277 1.00 0.00 N ATOM 199 CA THR A 192 8.572 -0.409 -3.272 1.00 0.00 C ATOM 200 C THR A 192 9.139 0.846 -2.608 1.00 0.00 C ATOM 201 O THR A 192 9.606 1.757 -3.291 1.00 0.00 O ATOM 202 CB THR A 192 7.271 -0.157 -4.036 1.00 0.00 C ATOM 203 OG1 THR A 192 6.813 -1.462 -4.382 1.00 0.00 O ATOM 204 CG2 THR A 192 7.508 0.524 -5.386 1.00 0.00 C ATOM 0 H THR A 192 7.484 -1.281 -1.707 1.00 0.00 H new ATOM 0 HA THR A 192 9.329 -0.730 -3.987 1.00 0.00 H new ATOM 0 HB THR A 192 6.607 0.459 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.377 -1.872 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.553 0.680 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.996 1.486 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.144 -0.108 -6.006 1.00 0.00 H new ATOM 212 N THR A 193 9.082 0.854 -1.283 1.00 0.00 N ATOM 213 CA THR A 193 9.585 1.983 -0.520 1.00 0.00 C ATOM 214 C THR A 193 9.321 3.292 -1.266 1.00 0.00 C ATOM 215 O THR A 193 10.210 4.134 -1.385 1.00 0.00 O ATOM 216 CB THR A 193 11.066 1.737 -0.231 1.00 0.00 C ATOM 217 OG1 THR A 193 11.359 2.610 0.856 1.00 0.00 O ATOM 218 CG2 THR A 193 11.973 2.232 -1.360 1.00 0.00 C ATOM 0 H THR A 193 8.695 0.097 -0.720 1.00 0.00 H new ATOM 0 HA THR A 193 9.065 2.078 0.433 1.00 0.00 H new ATOM 0 HB THR A 193 11.231 0.671 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.234 3.540 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 193 13.014 2.033 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.721 1.712 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.832 3.304 -1.497 1.00 0.00 H new ATOM 226 N LYS A 194 8.093 3.424 -1.750 1.00 0.00 N ATOM 227 CA LYS A 194 7.702 4.616 -2.482 1.00 0.00 C ATOM 228 C LYS A 194 8.203 5.855 -1.737 1.00 0.00 C ATOM 229 O LYS A 194 8.109 5.927 -0.512 1.00 0.00 O ATOM 230 CB LYS A 194 6.192 4.619 -2.732 1.00 0.00 C ATOM 231 CG LYS A 194 5.452 5.356 -1.614 1.00 0.00 C ATOM 232 CD LYS A 194 5.452 6.867 -1.861 1.00 0.00 C ATOM 233 CE LYS A 194 5.653 7.636 -0.554 1.00 0.00 C ATOM 234 NZ LYS A 194 4.881 8.898 -0.572 1.00 0.00 N ATOM 0 H LYS A 194 7.357 2.725 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 194 8.167 4.627 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.979 5.095 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.829 3.593 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.426 4.994 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.925 5.140 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 194 6.244 7.124 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.509 7.164 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 194 5.337 7.021 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 194 6.712 7.852 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 5.028 9.408 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 5.202 9.490 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 3.870 8.685 -0.686 1.00 0.00 H new ATOM 248 N GLY A 195 8.726 6.797 -2.507 1.00 0.00 N ATOM 249 CA GLY A 195 9.243 8.030 -1.934 1.00 0.00 C ATOM 250 C GLY A 195 10.718 8.221 -2.290 1.00 0.00 C ATOM 251 O GLY A 195 11.050 8.539 -3.431 1.00 0.00 O ATOM 0 H GLY A 195 8.803 6.733 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.664 8.877 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.126 8.009 -0.850 1.00 0.00 H new TER 255 GLY A 195