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= -0.542 K(o=-0.54,f=-3.5!) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -129:sc= -0.241 (180deg=-0.62) USER MOD Single : A 186 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.3!) USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 188 THR OG1 : rot 73:sc= 1.02 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -68:sc= 1.06 USER MOD Single : A 192 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 193 THR OG1 : rot 74:sc= -0.61! USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.025 -1.200 -5.908 1.00 0.00 N ATOM 2 CA VAL A 180 -9.404 -0.745 -4.675 1.00 0.00 C ATOM 3 C VAL A 180 -7.888 -0.924 -4.777 1.00 0.00 C ATOM 4 O VAL A 180 -7.411 -1.961 -5.235 1.00 0.00 O ATOM 5 CB VAL A 180 -10.014 -1.479 -3.480 1.00 0.00 C ATOM 6 CG1 VAL A 180 -9.719 -2.979 -3.549 1.00 0.00 C ATOM 7 CG2 VAL A 180 -9.519 -0.883 -2.161 1.00 0.00 C ATOM 0 HA VAL A 180 -9.596 0.317 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.095 -1.348 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -10.164 -3.477 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.142 -3.391 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -8.641 -3.138 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -9.967 -1.423 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -8.434 -0.969 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -9.803 0.168 -2.108 1.00 0.00 H new ATOM 17 N ASN A 181 -7.173 0.103 -4.343 1.00 0.00 N ATOM 18 CA ASN A 181 -5.721 0.072 -4.379 1.00 0.00 C ATOM 19 C ASN A 181 -5.168 1.030 -3.322 1.00 0.00 C ATOM 20 O ASN A 181 -4.101 1.615 -3.505 1.00 0.00 O ATOM 21 CB ASN A 181 -5.194 0.521 -5.744 1.00 0.00 C ATOM 22 CG ASN A 181 -5.371 2.028 -5.931 1.00 0.00 C ATOM 23 OD1 ASN A 181 -6.263 2.649 -5.376 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.475 2.582 -6.744 1.00 0.00 N ATOM 0 H ASN A 181 -7.572 0.962 -3.965 1.00 0.00 H new ATOM 0 HA ASN A 181 -5.401 -0.952 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -4.139 0.261 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -5.722 -0.012 -6.535 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.510 3.583 -6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -3.754 2.005 -7.177 1.00 0.00 H new ATOM 31 N ILE A 182 -5.919 1.160 -2.237 1.00 0.00 N ATOM 32 CA ILE A 182 -5.517 2.037 -1.150 1.00 0.00 C ATOM 33 C ILE A 182 -4.561 1.286 -0.222 1.00 0.00 C ATOM 34 O ILE A 182 -3.464 1.763 0.063 1.00 0.00 O ATOM 35 CB ILE A 182 -6.746 2.605 -0.439 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.363 3.754 -1.241 1.00 0.00 C ATOM 37 CG2 ILE A 182 -6.406 3.025 0.993 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.300 3.222 -2.327 1.00 0.00 C ATOM 0 H ILE A 182 -6.803 0.673 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.974 2.900 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.497 1.817 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.914 4.415 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.572 4.350 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -7.297 3.425 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -6.049 2.159 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.629 3.790 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.725 4.058 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.740 2.581 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.103 2.647 -1.865 1.00 0.00 H new ATOM 50 N THR A 183 -5.013 0.122 0.225 1.00 0.00 N ATOM 51 CA THR A 183 -4.212 -0.700 1.116 1.00 0.00 C ATOM 52 C THR A 183 -3.136 -1.449 0.327 1.00 0.00 C ATOM 53 O THR A 183 -2.007 -1.596 0.795 1.00 0.00 O ATOM 54 CB THR A 183 -5.157 -1.625 1.883 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.718 -0.789 2.892 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.411 -2.707 2.666 1.00 0.00 C ATOM 0 H THR A 183 -5.924 -0.271 -0.014 1.00 0.00 H new ATOM 0 HA THR A 183 -3.673 -0.089 1.840 1.00 0.00 H new ATOM 0 HB THR A 183 -5.849 -2.096 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.346 -1.309 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.129 -3.336 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.829 -3.319 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.742 -2.238 3.388 1.00 0.00 H new ATOM 64 N ILE A 184 -3.522 -1.902 -0.857 1.00 0.00 N ATOM 65 CA ILE A 184 -2.605 -2.632 -1.715 1.00 0.00 C ATOM 66 C ILE A 184 -1.383 -1.759 -2.005 1.00 0.00 C ATOM 67 O ILE A 184 -0.247 -2.219 -1.892 1.00 0.00 O ATOM 68 CB ILE A 184 -3.324 -3.121 -2.973 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.345 -4.209 -2.634 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.322 -3.586 -4.032 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.775 -3.684 -2.780 1.00 0.00 C ATOM 0 H ILE A 184 -4.458 -1.777 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.245 -3.530 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.876 -2.283 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.200 -5.066 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.184 -4.558 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -2.860 -3.929 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.668 -2.757 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.723 -4.404 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.481 -4.477 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.924 -2.842 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.940 -3.358 -3.807 1.00 0.00 H new ATOM 83 N LYS A 185 -1.656 -0.516 -2.373 1.00 0.00 N ATOM 84 CA LYS A 185 -0.592 0.424 -2.681 1.00 0.00 C ATOM 85 C LYS A 185 0.221 0.700 -1.414 1.00 0.00 C ATOM 86 O LYS A 185 1.393 1.065 -1.492 1.00 0.00 O ATOM 87 CB LYS A 185 -1.163 1.685 -3.333 1.00 0.00 C ATOM 88 CG LYS A 185 -0.077 2.447 -4.096 1.00 0.00 C ATOM 89 CD LYS A 185 0.089 3.865 -3.545 1.00 0.00 C ATOM 90 CE LYS A 185 1.403 4.488 -4.019 1.00 0.00 C ATOM 91 NZ LYS A 185 2.114 5.124 -2.887 1.00 0.00 N ATOM 0 H LYS A 185 -2.599 -0.138 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 185 0.093 -0.003 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -1.969 1.413 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.596 2.330 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.869 1.911 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.335 2.492 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.748 4.484 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.066 3.840 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 185 2.034 3.721 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.203 5.229 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.374 6.098 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.494 5.140 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 2.974 4.582 -2.669 1.00 0.00 H new ATOM 105 N GLN A 186 -0.435 0.516 -0.277 1.00 0.00 N ATOM 106 CA GLN A 186 0.212 0.741 1.004 1.00 0.00 C ATOM 107 C GLN A 186 1.199 -0.389 1.306 1.00 0.00 C ATOM 108 O GLN A 186 2.380 -0.139 1.542 1.00 0.00 O ATOM 109 CB GLN A 186 -0.823 0.880 2.123 1.00 0.00 C ATOM 110 CG GLN A 186 -0.840 2.305 2.680 1.00 0.00 C ATOM 111 CD GLN A 186 -0.195 2.360 4.066 1.00 0.00 C ATOM 112 OE1 GLN A 186 -0.261 1.425 4.847 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.431 3.504 4.326 1.00 0.00 N ATOM 0 H GLN A 186 -1.407 0.214 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 186 0.768 1.677 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.812 0.622 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.596 0.176 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.308 2.971 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.867 2.664 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 186 0.448 4.246 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.894 3.639 5.225 1.00 0.00 H new ATOM 122 N HIS A 187 0.678 -1.606 1.290 1.00 0.00 N ATOM 123 CA HIS A 187 1.498 -2.775 1.559 1.00 0.00 C ATOM 124 C HIS A 187 2.548 -2.930 0.456 1.00 0.00 C ATOM 125 O HIS A 187 3.545 -3.628 0.637 1.00 0.00 O ATOM 126 CB HIS A 187 0.629 -4.023 1.729 1.00 0.00 C ATOM 127 CG HIS A 187 0.630 -4.585 3.130 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.570 -5.500 3.570 1.00 0.00 N ATOM 129 CD2 HIS A 187 -0.204 -4.352 4.185 1.00 0.00 C ATOM 130 CE1 HIS A 187 1.304 -5.798 4.833 1.00 0.00 C ATOM 131 NE2 HIS A 187 0.204 -5.086 5.212 1.00 0.00 N ATOM 0 H HIS A 187 -0.302 -1.809 1.095 1.00 0.00 H new ATOM 0 HA HIS A 187 2.028 -2.642 2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.396 -3.781 1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.977 -4.792 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -1.052 -3.683 4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 187 1.861 -6.484 5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -0.233 -5.113 6.133 1.00 0.00 H new ATOM 140 N THR A 188 2.288 -2.269 -0.662 1.00 0.00 N ATOM 141 CA THR A 188 3.197 -2.325 -1.794 1.00 0.00 C ATOM 142 C THR A 188 4.307 -1.283 -1.637 1.00 0.00 C ATOM 143 O THR A 188 5.367 -1.403 -2.251 1.00 0.00 O ATOM 144 CB THR A 188 2.374 -2.148 -3.070 1.00 0.00 C ATOM 145 OG1 THR A 188 1.527 -3.293 -3.099 1.00 0.00 O ATOM 146 CG2 THR A 188 3.222 -2.280 -4.338 1.00 0.00 C ATOM 0 H THR A 188 1.460 -1.691 -0.808 1.00 0.00 H new ATOM 0 HA THR A 188 3.703 -3.289 -1.848 1.00 0.00 H new ATOM 0 HB THR A 188 1.891 -1.171 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.832 -3.203 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.589 -2.146 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.003 -1.519 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.679 -3.269 -4.369 1.00 0.00 H new ATOM 154 N VAL A 189 4.027 -0.286 -0.812 1.00 0.00 N ATOM 155 CA VAL A 189 4.988 0.777 -0.567 1.00 0.00 C ATOM 156 C VAL A 189 6.188 0.207 0.192 1.00 0.00 C ATOM 157 O VAL A 189 7.215 0.871 0.325 1.00 0.00 O ATOM 158 CB VAL A 189 4.312 1.936 0.167 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.350 2.867 0.796 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.379 2.707 -0.768 1.00 0.00 C ATOM 0 H VAL A 189 3.148 -0.191 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 189 5.360 1.180 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 189 3.708 1.516 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.842 3.682 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.956 2.308 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 189 5.993 3.275 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.911 3.526 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 189 3.952 3.109 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.608 2.036 -1.147 1.00 0.00 H new ATOM 170 N THR A 190 6.018 -1.017 0.671 1.00 0.00 N ATOM 171 CA THR A 190 7.074 -1.684 1.413 1.00 0.00 C ATOM 172 C THR A 190 8.226 -2.061 0.480 1.00 0.00 C ATOM 173 O THR A 190 9.341 -1.564 0.631 1.00 0.00 O ATOM 174 CB THR A 190 6.459 -2.884 2.135 1.00 0.00 C ATOM 175 OG1 THR A 190 5.793 -2.310 3.257 1.00 0.00 O ATOM 176 CG2 THR A 190 7.517 -3.798 2.758 1.00 0.00 C ATOM 0 H THR A 190 5.164 -1.564 0.559 1.00 0.00 H new ATOM 0 HA THR A 190 7.508 -1.023 2.163 1.00 0.00 H new ATOM 0 HB THR A 190 5.851 -3.457 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.364 -3.019 3.781 1.00 0.00 H new ATOM 0 HG21 THR A 190 7.027 -4.634 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.175 -4.178 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 190 8.103 -3.234 3.484 1.00 0.00 H new ATOM 184 N THR A 191 7.917 -2.938 -0.466 1.00 0.00 N ATOM 185 CA THR A 191 8.912 -3.387 -1.423 1.00 0.00 C ATOM 186 C THR A 191 8.983 -2.425 -2.611 1.00 0.00 C ATOM 187 O THR A 191 9.007 -2.856 -3.763 1.00 0.00 O ATOM 188 CB THR A 191 8.567 -4.823 -1.824 1.00 0.00 C ATOM 189 OG1 THR A 191 9.512 -5.135 -2.845 1.00 0.00 O ATOM 190 CG2 THR A 191 7.211 -4.925 -2.528 1.00 0.00 C ATOM 0 H THR A 191 6.991 -3.349 -0.589 1.00 0.00 H new ATOM 0 HA THR A 191 9.910 -3.386 -0.985 1.00 0.00 H new ATOM 0 HB THR A 191 8.564 -5.457 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.322 -4.597 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.015 -5.964 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.427 -4.565 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.224 -4.318 -3.433 1.00 0.00 H new ATOM 198 N THR A 192 9.014 -1.140 -2.289 1.00 0.00 N ATOM 199 CA THR A 192 9.082 -0.114 -3.315 1.00 0.00 C ATOM 200 C THR A 192 9.379 1.249 -2.686 1.00 0.00 C ATOM 201 O THR A 192 10.153 2.034 -3.232 1.00 0.00 O ATOM 202 CB THR A 192 7.772 -0.146 -4.103 1.00 0.00 C ATOM 203 OG1 THR A 192 8.092 -0.884 -5.279 1.00 0.00 O ATOM 204 CG2 THR A 192 7.369 1.234 -4.628 1.00 0.00 C ATOM 0 H THR A 192 8.993 -0.786 -1.332 1.00 0.00 H new ATOM 0 HA THR A 192 9.901 -0.303 -4.010 1.00 0.00 H new ATOM 0 HB THR A 192 6.977 -0.539 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.488 -1.745 -5.028 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.432 1.154 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.239 1.918 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.148 1.614 -5.289 1.00 0.00 H new ATOM 212 N THR A 193 8.747 1.490 -1.546 1.00 0.00 N ATOM 213 CA THR A 193 8.932 2.745 -0.838 1.00 0.00 C ATOM 214 C THR A 193 8.641 3.928 -1.763 1.00 0.00 C ATOM 215 O THR A 193 9.448 4.851 -1.870 1.00 0.00 O ATOM 216 CB THR A 193 10.352 2.758 -0.264 1.00 0.00 C ATOM 217 OG1 THR A 193 11.169 3.131 -1.370 1.00 0.00 O ATOM 218 CG2 THR A 193 10.845 1.358 0.108 1.00 0.00 C ATOM 0 H THR A 193 8.106 0.837 -1.095 1.00 0.00 H new ATOM 0 HA THR A 193 8.229 2.840 -0.010 1.00 0.00 H new ATOM 0 HB THR A 193 10.383 3.400 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.052 4.086 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 193 11.856 1.423 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.183 0.927 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 193 10.847 0.725 -0.780 1.00 0.00 H new ATOM 226 N LYS A 194 7.485 3.863 -2.407 1.00 0.00 N ATOM 227 CA LYS A 194 7.077 4.919 -3.318 1.00 0.00 C ATOM 228 C LYS A 194 6.938 6.231 -2.544 1.00 0.00 C ATOM 229 O LYS A 194 6.672 6.222 -1.343 1.00 0.00 O ATOM 230 CB LYS A 194 5.809 4.513 -4.074 1.00 0.00 C ATOM 231 CG LYS A 194 5.574 5.423 -5.280 1.00 0.00 C ATOM 232 CD LYS A 194 6.607 5.156 -6.378 1.00 0.00 C ATOM 233 CE LYS A 194 6.284 5.957 -7.640 1.00 0.00 C ATOM 234 NZ LYS A 194 5.460 5.152 -8.569 1.00 0.00 N ATOM 0 H LYS A 194 6.818 3.096 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 194 7.839 5.079 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.895 3.478 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 194 4.951 4.562 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.570 5.260 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.630 6.466 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 194 7.601 5.421 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 194 6.626 4.092 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 194 5.753 6.870 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 194 7.208 6.259 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 5.250 5.711 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 5.980 4.293 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.570 4.886 -8.102 1.00 0.00 H new ATOM 248 N GLY A 195 7.122 7.328 -3.264 1.00 0.00 N ATOM 249 CA GLY A 195 7.021 8.645 -2.659 1.00 0.00 C ATOM 250 C GLY A 195 8.102 9.583 -3.202 1.00 0.00 C ATOM 251 O GLY A 195 8.912 9.183 -4.037 1.00 0.00 O ATOM 0 H GLY A 195 7.340 7.332 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 195 6.036 9.066 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 195 7.118 8.560 -1.577 1.00 0.00 H new TER 255 GLY A 195