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 X(o=0,f=0.33) 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= -0.328 K(o=-0.33,f=-2.3!) USER MOD Single : A 187 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.014) USER MOD Single : A 188 THR OG1 : rot 113:sc= 1.1 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -54:sc= 0.342 USER MOD Single : A 192 THR OG1 : rot 45:sc= 1.23 USER MOD Single : A 193 THR OG1 : rot -65:sc= 0.0779 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.382 1.203 -2.126 1.00 0.00 N ATOM 2 CA VAL A 180 -10.363 -0.249 -2.159 1.00 0.00 C ATOM 3 C VAL A 180 -9.050 -0.725 -2.784 1.00 0.00 C ATOM 4 O VAL A 180 -8.849 -1.923 -2.976 1.00 0.00 O ATOM 5 CB VAL A 180 -11.599 -0.772 -2.894 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.332 -0.898 -4.395 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.064 -2.106 -2.305 1.00 0.00 C ATOM 0 HA VAL A 180 -10.407 -0.654 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 180 -12.402 -0.048 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -12.226 -1.272 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -11.071 0.079 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -10.508 -1.591 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.944 -2.455 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.266 -2.842 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.314 -1.972 -1.253 1.00 0.00 H new ATOM 17 N ASN A 181 -8.192 0.239 -3.084 1.00 0.00 N ATOM 18 CA ASN A 181 -6.904 -0.067 -3.683 1.00 0.00 C ATOM 19 C ASN A 181 -5.819 0.774 -3.007 1.00 0.00 C ATOM 20 O ASN A 181 -4.720 0.920 -3.539 1.00 0.00 O ATOM 21 CB ASN A 181 -6.898 0.267 -5.176 1.00 0.00 C ATOM 22 CG ASN A 181 -5.959 -0.666 -5.944 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.751 -0.501 -5.956 1.00 0.00 O ATOM 24 ND2 ASN A 181 -6.581 -1.654 -6.582 1.00 0.00 N ATOM 0 H ASN A 181 -8.363 1.232 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.715 -1.132 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.909 0.181 -5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.586 1.301 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -6.042 -2.331 -7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -7.596 -1.735 -6.531 1.00 0.00 H new ATOM 31 N ILE A 182 -6.166 1.305 -1.844 1.00 0.00 N ATOM 32 CA ILE A 182 -5.236 2.128 -1.089 1.00 0.00 C ATOM 33 C ILE A 182 -4.296 1.224 -0.289 1.00 0.00 C ATOM 34 O ILE A 182 -3.081 1.408 -0.314 1.00 0.00 O ATOM 35 CB ILE A 182 -5.993 3.143 -0.230 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.480 4.321 -1.075 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.142 3.600 0.956 1.00 0.00 C ATOM 38 CD1 ILE A 182 -7.925 4.109 -1.533 1.00 0.00 C ATOM 0 H ILE A 182 -7.079 1.181 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.615 2.718 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 182 -6.877 2.653 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.410 5.242 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -5.833 4.441 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.703 4.321 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.888 2.739 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.227 4.066 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.246 4.961 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.987 3.201 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.573 4.014 -0.661 1.00 0.00 H new ATOM 50 N THR A 183 -4.896 0.266 0.404 1.00 0.00 N ATOM 51 CA THR A 183 -4.128 -0.667 1.211 1.00 0.00 C ATOM 52 C THR A 183 -3.130 -1.431 0.337 1.00 0.00 C ATOM 53 O THR A 183 -1.957 -1.547 0.687 1.00 0.00 O ATOM 54 CB THR A 183 -5.113 -1.577 1.947 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.613 -0.764 3.005 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.416 -2.735 2.664 1.00 0.00 C ATOM 0 H THR A 183 -5.905 0.116 0.423 1.00 0.00 H new ATOM 0 HA THR A 183 -3.527 -0.145 1.956 1.00 0.00 H new ATOM 0 HB THR A 183 -5.840 -1.974 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.261 -1.276 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.160 -3.350 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.878 -3.342 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.713 -2.339 3.397 1.00 0.00 H new ATOM 64 N ILE A 184 -3.634 -1.931 -0.781 1.00 0.00 N ATOM 65 CA ILE A 184 -2.802 -2.682 -1.706 1.00 0.00 C ATOM 66 C ILE A 184 -1.600 -1.826 -2.112 1.00 0.00 C ATOM 67 O ILE A 184 -0.475 -2.320 -2.176 1.00 0.00 O ATOM 68 CB ILE A 184 -3.631 -3.178 -2.892 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.733 -4.134 -2.429 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.737 -3.808 -3.961 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.097 -3.702 -2.969 1.00 0.00 C ATOM 0 H ILE A 184 -4.608 -1.831 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.410 -3.578 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.122 -2.319 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.508 -5.145 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.761 -4.161 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.352 -4.152 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.022 -3.068 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.199 -4.654 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.862 -4.398 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.330 -2.700 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.073 -3.699 -4.059 1.00 0.00 H new ATOM 83 N LYS A 185 -1.879 -0.557 -2.375 1.00 0.00 N ATOM 84 CA LYS A 185 -0.834 0.371 -2.774 1.00 0.00 C ATOM 85 C LYS A 185 0.083 0.641 -1.579 1.00 0.00 C ATOM 86 O LYS A 185 1.247 1.002 -1.755 1.00 0.00 O ATOM 87 CB LYS A 185 -1.445 1.636 -3.379 1.00 0.00 C ATOM 88 CG LYS A 185 -1.563 1.515 -4.900 1.00 0.00 C ATOM 89 CD LYS A 185 -2.377 2.673 -5.480 1.00 0.00 C ATOM 90 CE LYS A 185 -1.463 3.704 -6.147 1.00 0.00 C ATOM 91 NZ LYS A 185 -1.043 3.236 -7.486 1.00 0.00 N ATOM 0 H LYS A 185 -2.813 -0.150 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.216 -0.064 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.430 1.811 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.829 2.499 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.568 1.506 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.037 0.568 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -3.093 2.291 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -2.953 3.151 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.984 4.657 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.585 3.877 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.424 3.947 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.527 2.338 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -1.883 3.093 -8.083 1.00 0.00 H new ATOM 105 N GLN A 186 -0.474 0.457 -0.391 1.00 0.00 N ATOM 106 CA GLN A 186 0.280 0.677 0.830 1.00 0.00 C ATOM 107 C GLN A 186 1.259 -0.474 1.064 1.00 0.00 C ATOM 108 O GLN A 186 2.468 -0.258 1.153 1.00 0.00 O ATOM 109 CB GLN A 186 -0.656 0.852 2.029 1.00 0.00 C ATOM 110 CG GLN A 186 -0.605 2.286 2.559 1.00 0.00 C ATOM 111 CD GLN A 186 0.145 2.351 3.891 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.287 1.369 4.602 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.617 3.558 4.189 1.00 0.00 N ATOM 0 H GLN A 186 -1.439 0.158 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 186 0.852 1.598 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.677 0.604 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.373 0.158 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.114 2.930 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.618 2.666 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 186 0.463 4.338 3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.133 3.704 5.057 1.00 0.00 H new ATOM 122 N HIS A 187 0.704 -1.673 1.157 1.00 0.00 N ATOM 123 CA HIS A 187 1.513 -2.859 1.379 1.00 0.00 C ATOM 124 C HIS A 187 2.579 -2.964 0.287 1.00 0.00 C ATOM 125 O HIS A 187 3.577 -3.663 0.453 1.00 0.00 O ATOM 126 CB HIS A 187 0.634 -4.108 1.471 1.00 0.00 C ATOM 127 CG HIS A 187 -0.043 -4.285 2.809 1.00 0.00 C ATOM 128 ND1 HIS A 187 -1.192 -5.040 2.975 1.00 0.00 N ATOM 129 CD2 HIS A 187 0.279 -3.798 4.042 1.00 0.00 C ATOM 130 CE1 HIS A 187 -1.537 -5.002 4.253 1.00 0.00 C ATOM 131 NE2 HIS A 187 -0.625 -4.231 4.913 1.00 0.00 N ATOM 0 H HIS A 187 -0.298 -1.849 1.083 1.00 0.00 H new ATOM 0 HA HIS A 187 2.028 -2.778 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.128 -4.062 0.693 1.00 0.00 H new ATOM 0 HB3 HIS A 187 1.246 -4.986 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 187 1.125 -3.167 4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -2.390 -5.495 4.695 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -0.636 -4.022 5.911 1.00 0.00 H new ATOM 140 N THR A 188 2.331 -2.259 -0.807 1.00 0.00 N ATOM 141 CA THR A 188 3.258 -2.263 -1.927 1.00 0.00 C ATOM 142 C THR A 188 4.360 -1.225 -1.711 1.00 0.00 C ATOM 143 O THR A 188 5.427 -1.311 -2.317 1.00 0.00 O ATOM 144 CB THR A 188 2.452 -2.038 -3.208 1.00 0.00 C ATOM 145 OG1 THR A 188 1.549 -3.140 -3.248 1.00 0.00 O ATOM 146 CG2 THR A 188 3.301 -2.206 -4.470 1.00 0.00 C ATOM 0 H THR A 188 1.502 -1.681 -0.942 1.00 0.00 H new ATOM 0 HA THR A 188 3.771 -3.221 -2.013 1.00 0.00 H new ATOM 0 HB THR A 188 2.017 -1.039 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.631 -2.815 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.682 -2.036 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.119 -1.486 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.708 -3.217 -4.503 1.00 0.00 H new ATOM 154 N VAL A 189 4.064 -0.265 -0.846 1.00 0.00 N ATOM 155 CA VAL A 189 5.017 0.790 -0.544 1.00 0.00 C ATOM 156 C VAL A 189 6.170 0.208 0.277 1.00 0.00 C ATOM 157 O VAL A 189 7.185 0.873 0.485 1.00 0.00 O ATOM 158 CB VAL A 189 4.307 1.949 0.161 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.317 2.977 0.674 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.279 2.603 -0.763 1.00 0.00 C ATOM 0 H VAL A 189 3.178 -0.196 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 189 5.443 1.196 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 189 3.774 1.545 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.788 3.790 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.995 2.499 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 189 5.889 3.375 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.788 3.423 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 189 3.781 2.988 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.534 1.864 -1.059 1.00 0.00 H new ATOM 170 N THR A 190 5.977 -1.025 0.719 1.00 0.00 N ATOM 171 CA THR A 190 6.989 -1.703 1.511 1.00 0.00 C ATOM 172 C THR A 190 8.208 -2.035 0.648 1.00 0.00 C ATOM 173 O THR A 190 9.294 -1.502 0.869 1.00 0.00 O ATOM 174 CB THR A 190 6.344 -2.933 2.151 1.00 0.00 C ATOM 175 OG1 THR A 190 5.602 -2.407 3.248 1.00 0.00 O ATOM 176 CG2 THR A 190 7.370 -3.860 2.806 1.00 0.00 C ATOM 0 H THR A 190 5.135 -1.573 0.544 1.00 0.00 H new ATOM 0 HA THR A 190 7.361 -1.061 2.310 1.00 0.00 H new ATOM 0 HB THR A 190 5.788 -3.485 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.150 -3.139 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.858 -4.717 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.079 -4.207 2.054 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.904 -3.318 3.586 1.00 0.00 H new ATOM 184 N THR A 191 7.987 -2.917 -0.317 1.00 0.00 N ATOM 185 CA THR A 191 9.053 -3.326 -1.214 1.00 0.00 C ATOM 186 C THR A 191 9.173 -2.346 -2.382 1.00 0.00 C ATOM 187 O THR A 191 9.267 -2.759 -3.537 1.00 0.00 O ATOM 188 CB THR A 191 8.774 -4.764 -1.654 1.00 0.00 C ATOM 189 OG1 THR A 191 9.962 -5.156 -2.337 1.00 0.00 O ATOM 190 CG2 THR A 191 7.685 -4.849 -2.724 1.00 0.00 C ATOM 0 H THR A 191 7.085 -3.359 -0.496 1.00 0.00 H new ATOM 0 HA THR A 191 10.021 -3.306 -0.713 1.00 0.00 H new ATOM 0 HB THR A 191 8.479 -5.356 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 191 10.167 -4.502 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.527 -5.892 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.757 -4.432 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.994 -4.284 -3.603 1.00 0.00 H new ATOM 198 N THR A 192 9.168 -1.066 -2.042 1.00 0.00 N ATOM 199 CA THR A 192 9.275 -0.023 -3.049 1.00 0.00 C ATOM 200 C THR A 192 9.513 1.335 -2.387 1.00 0.00 C ATOM 201 O THR A 192 10.300 2.142 -2.881 1.00 0.00 O ATOM 202 CB THR A 192 8.011 -0.065 -3.910 1.00 0.00 C ATOM 203 OG1 THR A 192 8.411 -0.779 -5.077 1.00 0.00 O ATOM 204 CG2 THR A 192 7.614 1.315 -4.435 1.00 0.00 C ATOM 0 H THR A 192 9.092 -0.727 -1.083 1.00 0.00 H new ATOM 0 HA THR A 192 10.134 -0.188 -3.699 1.00 0.00 H new ATOM 0 HB THR A 192 7.189 -0.482 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.932 -1.567 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.711 1.228 -5.040 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.425 1.983 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.422 1.718 -5.045 1.00 0.00 H new ATOM 212 N THR A 193 8.821 1.546 -1.277 1.00 0.00 N ATOM 213 CA THR A 193 8.948 2.794 -0.542 1.00 0.00 C ATOM 214 C THR A 193 8.604 3.981 -1.443 1.00 0.00 C ATOM 215 O THR A 193 9.355 4.953 -1.508 1.00 0.00 O ATOM 216 CB THR A 193 10.362 2.859 0.037 1.00 0.00 C ATOM 217 OG1 THR A 193 11.140 3.436 -1.008 1.00 0.00 O ATOM 218 CG2 THR A 193 10.978 1.473 0.238 1.00 0.00 C ATOM 0 H THR A 193 8.171 0.874 -0.869 1.00 0.00 H new ATOM 0 HA THR A 193 8.240 2.840 0.286 1.00 0.00 H new ATOM 0 HB THR A 193 10.339 3.387 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.163 2.825 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 193 11.981 1.577 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.360 0.897 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.032 0.956 -0.720 1.00 0.00 H new ATOM 226 N LYS A 194 7.469 3.863 -2.116 1.00 0.00 N ATOM 227 CA LYS A 194 7.017 4.916 -3.011 1.00 0.00 C ATOM 228 C LYS A 194 7.296 6.277 -2.372 1.00 0.00 C ATOM 229 O LYS A 194 7.553 7.255 -3.074 1.00 0.00 O ATOM 230 CB LYS A 194 5.550 4.704 -3.389 1.00 0.00 C ATOM 231 CG LYS A 194 4.626 5.515 -2.479 1.00 0.00 C ATOM 232 CD LYS A 194 3.166 5.377 -2.916 1.00 0.00 C ATOM 233 CE LYS A 194 2.221 5.954 -1.861 1.00 0.00 C ATOM 234 NZ LYS A 194 1.925 7.374 -2.151 1.00 0.00 N ATOM 0 H LYS A 194 6.849 3.055 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 194 7.572 4.884 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.392 4.997 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.301 3.645 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.735 5.175 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 194 4.918 6.565 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 194 3.016 5.893 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 194 2.931 4.326 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 194 1.295 5.380 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.672 5.865 -0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 1.282 7.750 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 2.810 7.921 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 1.475 7.451 -3.085 1.00 0.00 H new ATOM 248 N GLY A 195 7.238 6.297 -1.049 1.00 0.00 N ATOM 249 CA GLY A 195 7.482 7.523 -0.307 1.00 0.00 C ATOM 250 C GLY A 195 7.522 7.254 1.198 1.00 0.00 C ATOM 251 O GLY A 195 6.799 6.395 1.699 1.00 0.00 O ATOM 0 H GLY A 195 7.026 5.484 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.426 7.964 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 195 6.700 8.249 -0.530 1.00 0.00 H new TER 255 GLY A 195