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= -0.0445 X(o=-0.045,f=-0.039) 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=-0.000872 X(o=-0.00087,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 188 THR OG1 : rot 82:sc= 0.539 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 180:sc= 0 USER MOD Single : A 193 THR OG1 : rot -68:sc= 1.05 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -11.530 -0.961 -2.212 1.00 0.00 N ATOM 2 CA VAL A 180 -10.392 -0.986 -1.308 1.00 0.00 C ATOM 3 C VAL A 180 -9.120 -1.282 -2.106 1.00 0.00 C ATOM 4 O VAL A 180 -8.828 -2.436 -2.412 1.00 0.00 O ATOM 5 CB VAL A 180 -10.639 -1.993 -0.184 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.445 -1.359 0.952 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.333 -3.250 -0.714 1.00 0.00 C ATOM 0 HA VAL A 180 -10.260 -0.014 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 180 -9.670 -2.291 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.607 -2.096 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.895 -0.510 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.407 -1.019 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.496 -3.949 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.292 -2.978 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -10.706 -3.720 -1.471 1.00 0.00 H new ATOM 17 N ASN A 181 -8.397 -0.217 -2.421 1.00 0.00 N ATOM 18 CA ASN A 181 -7.163 -0.347 -3.177 1.00 0.00 C ATOM 19 C ASN A 181 -6.099 0.571 -2.571 1.00 0.00 C ATOM 20 O ASN A 181 -5.078 0.844 -3.201 1.00 0.00 O ATOM 21 CB ASN A 181 -7.365 0.064 -4.637 1.00 0.00 C ATOM 22 CG ASN A 181 -7.946 1.476 -4.733 1.00 0.00 C ATOM 23 OD1 ASN A 181 -9.143 1.692 -4.620 1.00 0.00 O ATOM 24 ND2 ASN A 181 -7.037 2.423 -4.948 1.00 0.00 N ATOM 0 H ASN A 181 -8.642 0.740 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.851 -1.391 -3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.413 0.022 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -8.034 -0.643 -5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -7.325 3.398 -5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -6.051 2.174 -5.033 1.00 0.00 H new ATOM 31 N ILE A 182 -6.374 1.020 -1.356 1.00 0.00 N ATOM 32 CA ILE A 182 -5.453 1.901 -0.657 1.00 0.00 C ATOM 33 C ILE A 182 -4.393 1.060 0.057 1.00 0.00 C ATOM 34 O ILE A 182 -3.207 1.382 0.011 1.00 0.00 O ATOM 35 CB ILE A 182 -6.218 2.846 0.273 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.935 3.937 -0.524 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.291 3.431 1.341 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.430 3.637 -0.644 1.00 0.00 C ATOM 0 H ILE A 182 -7.222 0.791 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.928 2.543 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 182 -6.985 2.270 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.792 4.901 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.495 4.014 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.858 4.099 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.866 2.623 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.488 3.988 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.915 4.428 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.570 2.684 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.872 3.585 0.351 1.00 0.00 H new ATOM 50 N THR A 183 -4.859 0.000 0.701 1.00 0.00 N ATOM 51 CA THR A 183 -3.965 -0.888 1.424 1.00 0.00 C ATOM 52 C THR A 183 -2.961 -1.531 0.464 1.00 0.00 C ATOM 53 O THR A 183 -1.770 -1.602 0.763 1.00 0.00 O ATOM 54 CB THR A 183 -4.820 -1.908 2.179 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.311 -1.184 3.304 1.00 0.00 O ATOM 56 CG2 THR A 183 -3.985 -3.032 2.795 1.00 0.00 C ATOM 0 H THR A 183 -5.844 -0.264 0.737 1.00 0.00 H new ATOM 0 HA THR A 183 -3.367 -0.340 2.152 1.00 0.00 H new ATOM 0 HB THR A 183 -5.558 -2.335 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.877 -1.770 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.641 -3.727 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.450 -3.562 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.268 -2.609 3.499 1.00 0.00 H new ATOM 64 N ILE A 184 -3.479 -1.981 -0.669 1.00 0.00 N ATOM 65 CA ILE A 184 -2.642 -2.615 -1.674 1.00 0.00 C ATOM 66 C ILE A 184 -1.511 -1.660 -2.065 1.00 0.00 C ATOM 67 O ILE A 184 -0.336 -1.989 -1.910 1.00 0.00 O ATOM 68 CB ILE A 184 -3.489 -3.083 -2.858 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.509 -4.136 -2.421 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.605 -3.584 -4.002 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.935 -3.587 -2.508 1.00 0.00 C ATOM 0 H ILE A 184 -4.467 -1.919 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.176 -3.514 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.049 -2.227 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.417 -5.020 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.298 -4.450 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.233 -3.911 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.952 -2.778 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.999 -4.421 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.641 -4.355 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.030 -2.717 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.151 -3.297 -3.536 1.00 0.00 H new ATOM 83 N LYS A 185 -1.907 -0.499 -2.565 1.00 0.00 N ATOM 84 CA LYS A 185 -0.941 0.504 -2.980 1.00 0.00 C ATOM 85 C LYS A 185 0.043 0.762 -1.837 1.00 0.00 C ATOM 86 O LYS A 185 1.196 1.118 -2.075 1.00 0.00 O ATOM 87 CB LYS A 185 -1.656 1.764 -3.472 1.00 0.00 C ATOM 88 CG LYS A 185 -0.777 2.549 -4.448 1.00 0.00 C ATOM 89 CD LYS A 185 -1.614 3.160 -5.572 1.00 0.00 C ATOM 90 CE LYS A 185 -0.890 3.053 -6.916 1.00 0.00 C ATOM 91 NZ LYS A 185 -1.828 3.316 -8.031 1.00 0.00 N ATOM 0 H LYS A 185 -2.883 -0.230 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.358 0.144 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.591 1.489 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.914 2.395 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.249 3.338 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.020 1.889 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -2.576 2.651 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -1.821 4.207 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.066 3.766 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.456 2.059 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -1.321 3.240 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -2.600 2.620 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -2.222 4.274 -7.935 1.00 0.00 H new ATOM 105 N GLN A 186 -0.449 0.572 -0.622 1.00 0.00 N ATOM 106 CA GLN A 186 0.373 0.780 0.558 1.00 0.00 C ATOM 107 C GLN A 186 1.361 -0.378 0.728 1.00 0.00 C ATOM 108 O GLN A 186 2.565 -0.158 0.845 1.00 0.00 O ATOM 109 CB GLN A 186 -0.494 0.947 1.808 1.00 0.00 C ATOM 110 CG GLN A 186 -0.411 2.378 2.343 1.00 0.00 C ATOM 111 CD GLN A 186 0.437 2.440 3.615 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.651 2.323 3.589 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.268 2.630 4.726 1.00 0.00 N ATOM 0 H GLN A 186 -1.406 0.276 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 186 0.941 1.701 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.530 0.702 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.168 0.247 2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.019 3.030 1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.414 2.751 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.283 2.720 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.206 2.686 5.627 1.00 0.00 H new ATOM 122 N HIS A 187 0.813 -1.584 0.734 1.00 0.00 N ATOM 123 CA HIS A 187 1.631 -2.776 0.887 1.00 0.00 C ATOM 124 C HIS A 187 2.717 -2.794 -0.190 1.00 0.00 C ATOM 125 O HIS A 187 3.720 -3.493 -0.054 1.00 0.00 O ATOM 126 CB HIS A 187 0.762 -4.036 0.875 1.00 0.00 C ATOM 127 CG HIS A 187 1.467 -5.262 0.345 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.280 -5.737 -0.940 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.360 -6.104 0.940 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.030 -6.817 -1.101 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.698 -7.042 0.066 1.00 0.00 N ATOM 0 H HIS A 187 -0.187 -1.762 0.636 1.00 0.00 H new ATOM 0 HA HIS A 187 2.130 -2.758 1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.418 -4.237 1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -0.124 -3.848 0.269 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.729 -6.021 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.100 -7.414 -1.998 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.351 -7.807 0.238 1.00 0.00 H new ATOM 140 N THR A 188 2.481 -2.017 -1.237 1.00 0.00 N ATOM 141 CA THR A 188 3.427 -1.936 -2.337 1.00 0.00 C ATOM 142 C THR A 188 4.551 -0.953 -2.002 1.00 0.00 C ATOM 143 O THR A 188 5.626 -1.007 -2.598 1.00 0.00 O ATOM 144 CB THR A 188 2.651 -1.563 -3.602 1.00 0.00 C ATOM 145 OG1 THR A 188 1.794 -2.679 -3.825 1.00 0.00 O ATOM 146 CG2 THR A 188 3.542 -1.522 -4.844 1.00 0.00 C ATOM 0 H THR A 188 1.648 -1.438 -1.347 1.00 0.00 H new ATOM 0 HA THR A 188 3.916 -2.895 -2.509 1.00 0.00 H new ATOM 0 HB THR A 188 2.177 -0.591 -3.464 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.999 -2.600 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.942 -1.253 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.329 -0.781 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.991 -2.503 -5.003 1.00 0.00 H new ATOM 154 N VAL A 189 4.264 -0.078 -1.050 1.00 0.00 N ATOM 155 CA VAL A 189 5.237 0.916 -0.629 1.00 0.00 C ATOM 156 C VAL A 189 6.308 0.242 0.231 1.00 0.00 C ATOM 157 O VAL A 189 7.454 0.687 0.262 1.00 0.00 O ATOM 158 CB VAL A 189 4.532 2.068 0.090 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.536 2.938 0.847 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.711 2.906 -0.893 1.00 0.00 C ATOM 0 H VAL A 189 3.372 -0.036 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 189 5.739 1.349 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 189 3.845 1.638 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.009 3.749 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.058 2.331 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.258 3.354 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.220 3.718 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.370 3.321 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.958 2.277 -1.367 1.00 0.00 H new ATOM 170 N THR A 190 5.896 -0.820 0.908 1.00 0.00 N ATOM 171 CA THR A 190 6.806 -1.560 1.767 1.00 0.00 C ATOM 172 C THR A 190 7.891 -2.242 0.931 1.00 0.00 C ATOM 173 O THR A 190 9.078 -1.973 1.109 1.00 0.00 O ATOM 174 CB THR A 190 5.978 -2.537 2.602 1.00 0.00 C ATOM 175 OG1 THR A 190 5.209 -1.697 3.459 1.00 0.00 O ATOM 176 CG2 THR A 190 6.838 -3.361 3.563 1.00 0.00 C ATOM 0 H THR A 190 4.944 -1.186 0.879 1.00 0.00 H new ATOM 0 HA THR A 190 7.335 -0.895 2.450 1.00 0.00 H new ATOM 0 HB THR A 190 5.430 -3.207 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.641 -2.250 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.201 -4.038 4.132 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.567 -3.939 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.360 -2.693 4.248 1.00 0.00 H new ATOM 184 N THR A 191 7.444 -3.112 0.037 1.00 0.00 N ATOM 185 CA THR A 191 8.362 -3.834 -0.827 1.00 0.00 C ATOM 186 C THR A 191 9.256 -2.858 -1.593 1.00 0.00 C ATOM 187 O THR A 191 10.479 -2.980 -1.569 1.00 0.00 O ATOM 188 CB THR A 191 7.536 -4.744 -1.738 1.00 0.00 C ATOM 189 OG1 THR A 191 7.109 -5.800 -0.882 1.00 0.00 O ATOM 190 CG2 THR A 191 8.390 -5.446 -2.796 1.00 0.00 C ATOM 0 H THR A 191 6.459 -3.333 -0.107 1.00 0.00 H new ATOM 0 HA THR A 191 9.041 -4.459 -0.247 1.00 0.00 H new ATOM 0 HB THR A 191 6.760 -4.156 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 191 6.565 -6.435 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.754 -6.079 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 191 8.879 -4.700 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 191 9.145 -6.060 -2.305 1.00 0.00 H new ATOM 198 N THR A 192 8.610 -1.909 -2.255 1.00 0.00 N ATOM 199 CA THR A 192 9.331 -0.912 -3.026 1.00 0.00 C ATOM 200 C THR A 192 9.884 0.179 -2.106 1.00 0.00 C ATOM 201 O THR A 192 10.491 1.142 -2.572 1.00 0.00 O ATOM 202 CB THR A 192 8.388 -0.374 -4.105 1.00 0.00 C ATOM 203 OG1 THR A 192 8.481 -1.332 -5.156 1.00 0.00 O ATOM 204 CG2 THR A 192 8.898 0.923 -4.736 1.00 0.00 C ATOM 0 H THR A 192 7.595 -1.810 -2.273 1.00 0.00 H new ATOM 0 HA THR A 192 10.199 -1.348 -3.520 1.00 0.00 H new ATOM 0 HB THR A 192 7.402 -0.203 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 192 7.899 -1.062 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 192 8.192 1.261 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 192 8.997 1.688 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 192 9.869 0.746 -5.198 1.00 0.00 H new ATOM 212 N THR A 193 9.652 -0.010 -0.815 1.00 0.00 N ATOM 213 CA THR A 193 10.118 0.945 0.177 1.00 0.00 C ATOM 214 C THR A 193 9.931 2.376 -0.332 1.00 0.00 C ATOM 215 O THR A 193 10.862 3.179 -0.296 1.00 0.00 O ATOM 216 CB THR A 193 11.572 0.606 0.512 1.00 0.00 C ATOM 217 OG1 THR A 193 11.967 1.631 1.420 1.00 0.00 O ATOM 218 CG2 THR A 193 12.507 0.788 -0.685 1.00 0.00 C ATOM 0 H THR A 193 9.148 -0.810 -0.433 1.00 0.00 H new ATOM 0 HA THR A 193 9.533 0.880 1.094 1.00 0.00 H new ATOM 0 HB THR A 193 11.632 -0.423 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 193 12.000 2.490 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 193 13.526 0.534 -0.393 1.00 0.00 H new ATOM 0 HG22 THR A 193 12.189 0.135 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 193 12.473 1.825 -1.019 1.00 0.00 H new ATOM 226 N LYS A 194 8.720 2.652 -0.793 1.00 0.00 N ATOM 227 CA LYS A 194 8.397 3.972 -1.308 1.00 0.00 C ATOM 228 C LYS A 194 8.436 4.985 -0.162 1.00 0.00 C ATOM 229 O LYS A 194 7.565 4.979 0.705 1.00 0.00 O ATOM 230 CB LYS A 194 7.065 3.944 -2.059 1.00 0.00 C ATOM 231 CG LYS A 194 6.904 5.186 -2.939 1.00 0.00 C ATOM 232 CD LYS A 194 5.833 4.965 -4.009 1.00 0.00 C ATOM 233 CE LYS A 194 6.071 5.871 -5.218 1.00 0.00 C ATOM 234 NZ LYS A 194 4.826 6.026 -6.002 1.00 0.00 N ATOM 0 H LYS A 194 7.950 1.984 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 194 9.141 4.288 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 194 7.010 3.047 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.243 3.890 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 194 6.634 6.042 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.855 5.424 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 194 5.839 3.922 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.847 5.165 -3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 194 6.422 6.848 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 194 6.854 5.449 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 5.005 6.644 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 4.508 5.094 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.089 6.449 -5.403 1.00 0.00 H new ATOM 248 N GLY A 195 9.456 5.831 -0.197 1.00 0.00 N ATOM 249 CA GLY A 195 9.619 6.847 0.828 1.00 0.00 C ATOM 250 C GLY A 195 10.168 6.240 2.120 1.00 0.00 C ATOM 251 O GLY A 195 9.850 5.102 2.459 1.00 0.00 O ATOM 0 H GLY A 195 10.177 5.833 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 195 10.295 7.624 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.660 7.326 1.026 1.00 0.00 H new TER 255 GLY A 195