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= -0.16 X(o=-0.16,f=-0.32) 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 X(o=0,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.0765 X(o=-0.076,f=-0.076) USER MOD Single : A 188 THR OG1 : rot 112:sc= 1.02 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -58:sc= 0.459 USER MOD Single : A 192 THR OG1 : rot 57:sc= 1.21 USER MOD Single : A 193 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -11.405 -1.087 -3.005 1.00 0.00 N ATOM 2 CA VAL A 180 -10.303 -0.418 -2.335 1.00 0.00 C ATOM 3 C VAL A 180 -8.982 -0.858 -2.970 1.00 0.00 C ATOM 4 O VAL A 180 -8.774 -2.044 -3.217 1.00 0.00 O ATOM 5 CB VAL A 180 -10.361 -0.687 -0.831 1.00 0.00 C ATOM 6 CG1 VAL A 180 -9.288 0.110 -0.087 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.755 -0.383 -0.273 1.00 0.00 C ATOM 0 HA VAL A 180 -10.381 0.662 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.159 -1.747 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -9.353 -0.101 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -8.302 -0.176 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.443 1.176 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.769 -0.583 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.997 0.665 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.491 -1.015 -0.770 1.00 0.00 H new ATOM 17 N ASN A 181 -8.125 0.122 -3.216 1.00 0.00 N ATOM 18 CA ASN A 181 -6.831 -0.149 -3.818 1.00 0.00 C ATOM 19 C ASN A 181 -5.762 0.696 -3.122 1.00 0.00 C ATOM 20 O ASN A 181 -4.657 0.854 -3.638 1.00 0.00 O ATOM 21 CB ASN A 181 -6.827 0.214 -5.305 1.00 0.00 C ATOM 22 CG ASN A 181 -5.710 -0.523 -6.046 1.00 0.00 C ATOM 23 OD1 ASN A 181 -5.663 -1.741 -6.099 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.817 0.280 -6.616 1.00 0.00 N ATOM 0 H ASN A 181 -8.302 1.105 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.624 -1.213 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.790 -0.039 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.696 1.290 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.034 -0.116 -7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -4.915 1.292 -6.533 1.00 0.00 H new ATOM 31 N ILE A 182 -6.129 1.215 -1.960 1.00 0.00 N ATOM 32 CA ILE A 182 -5.215 2.040 -1.187 1.00 0.00 C ATOM 33 C ILE A 182 -4.318 1.140 -0.335 1.00 0.00 C ATOM 34 O ILE A 182 -3.100 1.304 -0.323 1.00 0.00 O ATOM 35 CB ILE A 182 -5.989 3.082 -0.377 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.512 4.201 -1.280 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.139 3.624 0.773 1.00 0.00 C ATOM 38 CD1 ILE A 182 -7.994 3.999 -1.603 1.00 0.00 C ATOM 0 H ILE A 182 -7.046 1.081 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.560 2.607 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 182 -6.857 2.594 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.371 5.164 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -5.935 4.227 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.713 4.363 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.858 2.805 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.240 4.091 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.340 4.808 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.128 3.046 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.571 3.998 -0.678 1.00 0.00 H new ATOM 50 N THR A 183 -4.958 0.208 0.357 1.00 0.00 N ATOM 51 CA THR A 183 -4.234 -0.719 1.211 1.00 0.00 C ATOM 52 C THR A 183 -3.201 -1.500 0.395 1.00 0.00 C ATOM 53 O THR A 183 -2.084 -1.725 0.854 1.00 0.00 O ATOM 54 CB THR A 183 -5.257 -1.613 1.913 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.736 -0.814 2.991 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.608 -2.817 2.601 1.00 0.00 C ATOM 0 H THR A 183 -5.969 0.075 0.344 1.00 0.00 H new ATOM 0 HA THR A 183 -3.665 -0.191 1.976 1.00 0.00 H new ATOM 0 HB THR A 183 -5.992 -1.962 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.406 -1.317 3.499 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.378 -3.419 3.084 1.00 0.00 H new ATOM 0 HG22 THR A 183 -4.086 -3.422 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.897 -2.468 3.350 1.00 0.00 H new ATOM 64 N ILE A 184 -3.614 -1.891 -0.802 1.00 0.00 N ATOM 65 CA ILE A 184 -2.739 -2.641 -1.687 1.00 0.00 C ATOM 66 C ILE A 184 -1.516 -1.790 -2.030 1.00 0.00 C ATOM 67 O ILE A 184 -0.384 -2.269 -1.967 1.00 0.00 O ATOM 68 CB ILE A 184 -3.510 -3.133 -2.913 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.650 -4.069 -2.505 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.569 -3.783 -3.928 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.012 -3.429 -2.781 1.00 0.00 C ATOM 0 H ILE A 184 -4.543 -1.702 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.373 -3.539 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.962 -2.270 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.568 -5.008 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.566 -4.310 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.143 -4.124 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.825 -3.055 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.068 -4.634 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.804 -4.116 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.101 -2.503 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.103 -3.212 -3.845 1.00 0.00 H new ATOM 83 N LYS A 185 -1.784 -0.542 -2.387 1.00 0.00 N ATOM 84 CA LYS A 185 -0.719 0.380 -2.741 1.00 0.00 C ATOM 85 C LYS A 185 0.139 0.661 -1.505 1.00 0.00 C ATOM 86 O LYS A 185 1.310 1.014 -1.626 1.00 0.00 O ATOM 87 CB LYS A 185 -1.295 1.640 -3.389 1.00 0.00 C ATOM 88 CG LYS A 185 -0.178 2.566 -3.875 1.00 0.00 C ATOM 89 CD LYS A 185 -0.676 4.008 -4.000 1.00 0.00 C ATOM 90 CE LYS A 185 -0.259 4.619 -5.339 1.00 0.00 C ATOM 91 NZ LYS A 185 -1.015 5.864 -5.599 1.00 0.00 N ATOM 0 H LYS A 185 -2.724 -0.148 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.064 -0.065 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -1.933 1.363 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.923 2.168 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.661 2.526 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 185 0.192 2.220 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.762 4.030 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.275 4.607 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.810 4.831 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.437 3.904 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.719 6.265 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -2.033 5.653 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -0.825 6.550 -4.841 1.00 0.00 H new ATOM 105 N GLN A 186 -0.479 0.493 -0.345 1.00 0.00 N ATOM 106 CA GLN A 186 0.212 0.724 0.912 1.00 0.00 C ATOM 107 C GLN A 186 1.215 -0.401 1.181 1.00 0.00 C ATOM 108 O GLN A 186 2.402 -0.146 1.375 1.00 0.00 O ATOM 109 CB GLN A 186 -0.780 0.862 2.068 1.00 0.00 C ATOM 110 CG GLN A 186 -0.777 2.285 2.626 1.00 0.00 C ATOM 111 CD GLN A 186 -0.072 2.340 3.983 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.075 2.739 4.101 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.820 1.918 4.999 1.00 0.00 N ATOM 0 H GLN A 186 -1.451 0.200 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 186 0.760 1.663 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.782 0.604 1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.523 0.157 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.277 2.953 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.802 2.641 2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.773 1.597 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -0.440 1.916 5.946 1.00 0.00 H new ATOM 122 N HIS A 187 0.698 -1.621 1.183 1.00 0.00 N ATOM 123 CA HIS A 187 1.533 -2.787 1.425 1.00 0.00 C ATOM 124 C HIS A 187 2.579 -2.908 0.316 1.00 0.00 C ATOM 125 O HIS A 187 3.566 -3.625 0.464 1.00 0.00 O ATOM 126 CB HIS A 187 0.677 -4.046 1.574 1.00 0.00 C ATOM 127 CG HIS A 187 1.461 -5.334 1.496 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.305 -6.247 0.468 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.410 -5.851 2.329 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.126 -7.264 0.682 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.810 -7.017 1.837 1.00 0.00 N ATOM 0 H HIS A 187 -0.288 -1.828 1.021 1.00 0.00 H new ATOM 0 HA HIS A 187 2.067 -2.668 2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.156 -4.007 2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -0.085 -4.049 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.774 -5.390 3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.235 -8.135 0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.513 -7.628 2.253 1.00 0.00 H new ATOM 140 N THR A 188 2.326 -2.194 -0.772 1.00 0.00 N ATOM 141 CA THR A 188 3.234 -2.213 -1.907 1.00 0.00 C ATOM 142 C THR A 188 4.359 -1.194 -1.707 1.00 0.00 C ATOM 143 O THR A 188 5.415 -1.300 -2.328 1.00 0.00 O ATOM 144 CB THR A 188 2.412 -1.970 -3.174 1.00 0.00 C ATOM 145 OG1 THR A 188 1.505 -3.068 -3.215 1.00 0.00 O ATOM 146 CG2 THR A 188 3.243 -2.125 -4.449 1.00 0.00 C ATOM 0 H THR A 188 1.506 -1.599 -0.891 1.00 0.00 H new ATOM 0 HA THR A 188 3.727 -3.180 -2.003 1.00 0.00 H new ATOM 0 HB THR A 188 1.981 -0.969 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.592 -2.744 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.612 -1.942 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.063 -1.407 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.647 -3.136 -4.500 1.00 0.00 H new ATOM 154 N VAL A 189 4.093 -0.231 -0.837 1.00 0.00 N ATOM 155 CA VAL A 189 5.069 0.805 -0.547 1.00 0.00 C ATOM 156 C VAL A 189 6.227 0.202 0.251 1.00 0.00 C ATOM 157 O VAL A 189 7.266 0.838 0.423 1.00 0.00 O ATOM 158 CB VAL A 189 4.393 1.975 0.171 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.422 2.827 0.919 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.583 2.826 -0.808 1.00 0.00 C ATOM 0 H VAL A 189 3.216 -0.147 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 189 5.486 1.205 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 189 3.702 1.563 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.916 3.652 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.935 2.212 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.149 3.225 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.113 3.650 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.244 3.224 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.813 2.211 -1.274 1.00 0.00 H new ATOM 170 N THR A 190 6.008 -1.019 0.718 1.00 0.00 N ATOM 171 CA THR A 190 7.020 -1.715 1.494 1.00 0.00 C ATOM 172 C THR A 190 8.203 -2.102 0.603 1.00 0.00 C ATOM 173 O THR A 190 9.323 -1.643 0.819 1.00 0.00 O ATOM 174 CB THR A 190 6.354 -2.914 2.172 1.00 0.00 C ATOM 175 OG1 THR A 190 5.583 -2.336 3.221 1.00 0.00 O ATOM 176 CG2 THR A 190 7.359 -3.810 2.897 1.00 0.00 C ATOM 0 H THR A 190 5.145 -1.543 0.574 1.00 0.00 H new ATOM 0 HA THR A 190 7.434 -1.072 2.271 1.00 0.00 H new ATOM 0 HB THR A 190 5.818 -3.501 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.116 -3.044 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.834 -4.645 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.088 -4.192 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.873 -3.233 3.666 1.00 0.00 H new ATOM 184 N THR A 191 7.913 -2.942 -0.380 1.00 0.00 N ATOM 185 CA THR A 191 8.939 -3.395 -1.304 1.00 0.00 C ATOM 186 C THR A 191 9.067 -2.422 -2.478 1.00 0.00 C ATOM 187 O THR A 191 9.102 -2.841 -3.633 1.00 0.00 O ATOM 188 CB THR A 191 8.593 -4.822 -1.732 1.00 0.00 C ATOM 189 OG1 THR A 191 9.709 -5.229 -2.518 1.00 0.00 O ATOM 190 CG2 THR A 191 7.413 -4.871 -2.706 1.00 0.00 C ATOM 0 H THR A 191 6.982 -3.321 -0.557 1.00 0.00 H new ATOM 0 HA THR A 191 9.920 -3.412 -0.829 1.00 0.00 H new ATOM 0 HB THR A 191 8.361 -5.419 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.822 -4.611 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.209 -5.906 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.531 -4.440 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.658 -4.302 -3.603 1.00 0.00 H new ATOM 198 N THR A 192 9.131 -1.143 -2.141 1.00 0.00 N ATOM 199 CA THR A 192 9.254 -0.107 -3.152 1.00 0.00 C ATOM 200 C THR A 192 9.536 1.247 -2.498 1.00 0.00 C ATOM 201 O THR A 192 10.327 2.036 -3.012 1.00 0.00 O ATOM 202 CB THR A 192 7.978 -0.119 -3.998 1.00 0.00 C ATOM 203 OG1 THR A 192 8.349 -0.832 -5.175 1.00 0.00 O ATOM 204 CG2 THR A 192 7.601 1.272 -4.509 1.00 0.00 C ATOM 0 H THR A 192 9.100 -0.800 -1.181 1.00 0.00 H new ATOM 0 HA THR A 192 10.101 -0.296 -3.811 1.00 0.00 H new ATOM 0 HB THR A 192 7.156 -0.524 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.691 -1.716 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.689 1.207 -5.103 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.436 1.938 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.409 1.664 -5.127 1.00 0.00 H new ATOM 212 N THR A 193 8.873 1.475 -1.374 1.00 0.00 N ATOM 213 CA THR A 193 9.043 2.719 -0.644 1.00 0.00 C ATOM 214 C THR A 193 8.700 3.913 -1.538 1.00 0.00 C ATOM 215 O THR A 193 9.467 4.870 -1.623 1.00 0.00 O ATOM 216 CB THR A 193 10.473 2.758 -0.101 1.00 0.00 C ATOM 217 OG1 THR A 193 10.863 1.388 -0.051 1.00 0.00 O ATOM 218 CG2 THR A 193 10.534 3.216 1.357 1.00 0.00 C ATOM 0 H THR A 193 8.217 0.819 -0.951 1.00 0.00 H new ATOM 0 HA THR A 193 8.358 2.778 0.201 1.00 0.00 H new ATOM 0 HB THR A 193 11.076 3.426 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.780 1.321 0.289 1.00 0.00 H new ATOM 0 HG21 THR A 193 11.571 3.226 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.116 4.219 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 193 9.958 2.530 1.978 1.00 0.00 H new ATOM 226 N LYS A 194 7.546 3.816 -2.181 1.00 0.00 N ATOM 227 CA LYS A 194 7.091 4.876 -3.065 1.00 0.00 C ATOM 228 C LYS A 194 7.390 6.233 -2.425 1.00 0.00 C ATOM 229 O LYS A 194 7.725 7.191 -3.120 1.00 0.00 O ATOM 230 CB LYS A 194 5.617 4.677 -3.427 1.00 0.00 C ATOM 231 CG LYS A 194 4.710 5.451 -2.469 1.00 0.00 C ATOM 232 CD LYS A 194 4.571 6.912 -2.904 1.00 0.00 C ATOM 233 CE LYS A 194 3.247 7.143 -3.635 1.00 0.00 C ATOM 234 NZ LYS A 194 3.478 7.855 -4.912 1.00 0.00 N ATOM 0 H LYS A 194 6.912 3.020 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 194 7.634 4.843 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.441 5.011 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.370 3.616 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 194 3.726 4.983 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.119 5.406 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.627 7.562 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 194 5.402 7.182 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 194 2.759 6.187 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.573 7.723 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 2.569 8.004 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 3.923 8.775 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.104 7.287 -5.518 1.00 0.00 H new ATOM 248 N GLY A 195 7.258 6.270 -1.107 1.00 0.00 N ATOM 249 CA GLY A 195 7.510 7.493 -0.364 1.00 0.00 C ATOM 250 C GLY A 195 6.901 7.420 1.037 1.00 0.00 C ATOM 251 O GLY A 195 7.206 6.507 1.803 1.00 0.00 O ATOM 0 H GLY A 195 6.980 5.473 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.584 7.662 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 195 7.091 8.343 -0.903 1.00 0.00 H new TER 255 GLY A 195