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= -1.24 K(o=-1.2,f=-4.8!) 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= -0.307 K(o=-0.31,f=-2.3!) USER MOD Single : A 187 HIS :FLIP no HD1:sc= -0.174 F(o=-1.1,f=-0.17) USER MOD Single : A 188 THR OG1 : rot 83:sc= 1.33 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 -65:sc= 1.04 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.402 0.547 -5.294 1.00 0.00 N ATOM 2 CA VAL A 180 -9.885 -0.249 -4.195 1.00 0.00 C ATOM 3 C VAL A 180 -8.411 -0.569 -4.452 1.00 0.00 C ATOM 4 O VAL A 180 -8.093 -1.524 -5.159 1.00 0.00 O ATOM 5 CB VAL A 180 -10.744 -1.502 -4.007 1.00 0.00 C ATOM 6 CG1 VAL A 180 -12.180 -1.129 -3.635 1.00 0.00 C ATOM 7 CG2 VAL A 180 -10.711 -2.382 -5.258 1.00 0.00 C ATOM 0 HA VAL A 180 -9.939 0.310 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.323 -2.078 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -12.770 -2.036 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -12.179 -0.562 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.616 -0.522 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.329 -3.265 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.095 -1.819 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -9.685 -2.689 -5.460 1.00 0.00 H new ATOM 17 N ASN A 181 -7.550 0.249 -3.864 1.00 0.00 N ATOM 18 CA ASN A 181 -6.117 0.065 -4.021 1.00 0.00 C ATOM 19 C ASN A 181 -5.379 0.999 -3.059 1.00 0.00 C ATOM 20 O ASN A 181 -4.298 1.493 -3.374 1.00 0.00 O ATOM 21 CB ASN A 181 -5.671 0.406 -5.445 1.00 0.00 C ATOM 22 CG ASN A 181 -4.191 0.072 -5.650 1.00 0.00 C ATOM 23 OD1 ASN A 181 -3.626 -0.788 -4.994 1.00 0.00 O ATOM 24 ND2 ASN A 181 -3.599 0.798 -6.595 1.00 0.00 N ATOM 0 H ASN A 181 -7.817 1.040 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 181 -5.886 -0.979 -3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.276 -0.149 -6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -5.839 1.465 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -2.612 0.651 -6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -4.132 1.502 -7.106 1.00 0.00 H new ATOM 31 N ILE A 182 -5.994 1.211 -1.904 1.00 0.00 N ATOM 32 CA ILE A 182 -5.409 2.076 -0.893 1.00 0.00 C ATOM 33 C ILE A 182 -4.422 1.269 -0.048 1.00 0.00 C ATOM 34 O ILE A 182 -3.290 1.700 0.170 1.00 0.00 O ATOM 35 CB ILE A 182 -6.505 2.760 -0.075 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.272 3.776 -0.924 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.928 3.393 1.194 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.356 3.087 -1.755 1.00 0.00 C ATOM 0 H ILE A 182 -6.891 0.799 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.843 2.882 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.220 2.000 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.726 4.527 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.581 4.300 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.728 3.873 1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.465 2.620 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.180 4.137 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.887 3.831 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.896 2.354 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.059 2.584 -1.091 1.00 0.00 H new ATOM 50 N THR A 183 -4.886 0.114 0.405 1.00 0.00 N ATOM 51 CA THR A 183 -4.058 -0.757 1.222 1.00 0.00 C ATOM 52 C THR A 183 -3.019 -1.471 0.356 1.00 0.00 C ATOM 53 O THR A 183 -1.833 -1.480 0.684 1.00 0.00 O ATOM 54 CB THR A 183 -4.981 -1.714 1.979 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.663 -0.877 2.908 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.209 -2.698 2.859 1.00 0.00 C ATOM 0 H THR A 183 -5.825 -0.239 0.222 1.00 0.00 H new ATOM 0 HA THR A 183 -3.487 -0.187 1.955 1.00 0.00 H new ATOM 0 HB THR A 183 -5.593 -2.268 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.284 -1.417 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.911 -3.354 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.542 -3.296 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.623 -2.146 3.594 1.00 0.00 H new ATOM 64 N ILE A 184 -3.502 -2.053 -0.731 1.00 0.00 N ATOM 65 CA ILE A 184 -2.629 -2.770 -1.647 1.00 0.00 C ATOM 66 C ILE A 184 -1.468 -1.860 -2.053 1.00 0.00 C ATOM 67 O ILE A 184 -0.306 -2.255 -1.964 1.00 0.00 O ATOM 68 CB ILE A 184 -3.428 -3.314 -2.833 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.515 -4.282 -2.363 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.502 -3.950 -3.871 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.908 -3.681 -2.561 1.00 0.00 C ATOM 0 H ILE A 184 -4.486 -2.043 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.196 -3.642 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.931 -2.478 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.437 -5.218 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.364 -4.520 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.095 -4.329 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.798 -3.203 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.952 -4.772 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.662 -4.390 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.991 -2.758 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.065 -3.467 -3.618 1.00 0.00 H new ATOM 83 N LYS A 185 -1.821 -0.660 -2.490 1.00 0.00 N ATOM 84 CA LYS A 185 -0.822 0.308 -2.909 1.00 0.00 C ATOM 85 C LYS A 185 0.102 0.623 -1.732 1.00 0.00 C ATOM 86 O LYS A 185 1.263 0.983 -1.929 1.00 0.00 O ATOM 87 CB LYS A 185 -1.495 1.544 -3.511 1.00 0.00 C ATOM 88 CG LYS A 185 -0.455 2.595 -3.907 1.00 0.00 C ATOM 89 CD LYS A 185 -1.088 3.984 -3.998 1.00 0.00 C ATOM 90 CE LYS A 185 -1.378 4.546 -2.605 1.00 0.00 C ATOM 91 NZ LYS A 185 -2.166 5.795 -2.704 1.00 0.00 N ATOM 0 H LYS A 185 -2.785 -0.336 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.198 -0.106 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.078 1.256 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -2.192 1.971 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.353 2.607 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.012 2.330 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.420 4.658 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -2.013 3.929 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.925 3.810 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.441 4.740 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -2.354 6.163 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -1.630 6.501 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -3.068 5.599 -3.184 1.00 0.00 H new ATOM 105 N GLN A 186 -0.444 0.476 -0.535 1.00 0.00 N ATOM 106 CA GLN A 186 0.318 0.740 0.674 1.00 0.00 C ATOM 107 C GLN A 186 1.304 -0.399 0.939 1.00 0.00 C ATOM 108 O GLN A 186 2.506 -0.168 1.056 1.00 0.00 O ATOM 109 CB GLN A 186 -0.611 0.952 1.872 1.00 0.00 C ATOM 110 CG GLN A 186 -0.562 2.403 2.354 1.00 0.00 C ATOM 111 CD GLN A 186 0.215 2.518 3.666 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.375 1.565 4.409 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.688 3.738 3.910 1.00 0.00 N ATOM 0 H GLN A 186 -1.406 0.177 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 186 0.886 1.659 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.633 0.691 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.321 0.285 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.093 3.027 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.576 2.778 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 186 0.518 4.493 3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.220 3.918 4.761 1.00 0.00 H new ATOM 122 N HIS A 187 0.759 -1.603 1.026 1.00 0.00 N ATOM 123 CA HIS A 187 1.576 -2.778 1.275 1.00 0.00 C ATOM 124 C HIS A 187 2.705 -2.846 0.244 1.00 0.00 C ATOM 125 O HIS A 187 3.714 -3.513 0.466 1.00 0.00 O ATOM 126 CB HIS A 187 0.716 -4.043 1.298 1.00 0.00 C ATOM 127 CG HIS A 187 0.090 -4.337 2.639 1.00 0.00 C ATOM 128 ND1 HIS A 187 -1.219 -4.438 3.009 1.00 0.00 N flip ATOM 129 CD2 HIS A 187 0.837 -4.563 3.783 1.00 0.00 C flip ATOM 130 CE1 HIS A 187 -1.268 -4.712 4.308 1.00 0.00 C flip ATOM 131 NE2 HIS A 187 0.006 -4.790 4.789 1.00 0.00 N flip ATOM 0 H HIS A 187 -0.239 -1.790 0.928 1.00 0.00 H new ATOM 0 HA HIS A 187 2.035 -2.704 2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.074 -3.946 0.553 1.00 0.00 H new ATOM 0 HB3 HIS A 187 1.331 -4.893 1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 187 1.915 -4.555 3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -2.169 -4.850 4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 187 0.272 -4.988 5.754 1.00 0.00 H new ATOM 140 N THR A 188 2.496 -2.148 -0.862 1.00 0.00 N ATOM 141 CA THR A 188 3.482 -2.121 -1.927 1.00 0.00 C ATOM 142 C THR A 188 4.561 -1.078 -1.629 1.00 0.00 C ATOM 143 O THR A 188 5.667 -1.153 -2.164 1.00 0.00 O ATOM 144 CB THR A 188 2.747 -1.875 -3.247 1.00 0.00 C ATOM 145 OG1 THR A 188 1.865 -2.987 -3.365 1.00 0.00 O ATOM 146 CG2 THR A 188 3.668 -1.999 -4.463 1.00 0.00 C ATOM 0 H THR A 188 1.657 -1.596 -1.043 1.00 0.00 H new ATOM 0 HA THR A 188 4.007 -3.073 -2.003 1.00 0.00 H new ATOM 0 HB THR A 188 2.298 -0.882 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 188 1.050 -2.815 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.096 -1.815 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.473 -1.268 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.092 -3.003 -4.497 1.00 0.00 H new ATOM 154 N VAL A 189 4.202 -0.130 -0.776 1.00 0.00 N ATOM 155 CA VAL A 189 5.125 0.927 -0.400 1.00 0.00 C ATOM 156 C VAL A 189 6.246 0.338 0.459 1.00 0.00 C ATOM 157 O VAL A 189 7.242 1.007 0.731 1.00 0.00 O ATOM 158 CB VAL A 189 4.369 2.059 0.298 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.340 3.064 0.922 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.407 2.754 -0.668 1.00 0.00 C ATOM 0 H VAL A 189 3.284 -0.072 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 189 5.588 1.362 -1.286 1.00 0.00 H new ATOM 0 HB VAL A 189 3.778 1.620 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.777 3.858 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.966 2.557 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 189 5.970 3.493 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.883 3.554 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 189 3.969 3.172 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.683 2.031 -1.044 1.00 0.00 H new ATOM 170 N THR A 190 6.046 -0.908 0.861 1.00 0.00 N ATOM 171 CA THR A 190 7.027 -1.596 1.683 1.00 0.00 C ATOM 172 C THR A 190 7.929 -2.476 0.815 1.00 0.00 C ATOM 173 O THR A 190 8.970 -2.946 1.273 1.00 0.00 O ATOM 174 CB THR A 190 6.276 -2.375 2.765 1.00 0.00 C ATOM 175 OG1 THR A 190 5.355 -1.428 3.298 1.00 0.00 O ATOM 176 CG2 THR A 190 7.169 -2.739 3.953 1.00 0.00 C ATOM 0 H THR A 190 5.219 -1.459 0.633 1.00 0.00 H new ATOM 0 HA THR A 190 7.694 -0.889 2.176 1.00 0.00 H new ATOM 0 HB THR A 190 5.860 -3.285 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.825 -1.850 4.006 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.586 -3.290 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.998 -3.358 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.560 -1.828 4.407 1.00 0.00 H new ATOM 184 N THR A 191 7.496 -2.672 -0.422 1.00 0.00 N ATOM 185 CA THR A 191 8.251 -3.488 -1.358 1.00 0.00 C ATOM 186 C THR A 191 8.779 -2.628 -2.507 1.00 0.00 C ATOM 187 O THR A 191 9.819 -2.933 -3.088 1.00 0.00 O ATOM 188 CB THR A 191 7.349 -4.634 -1.820 1.00 0.00 C ATOM 189 OG1 THR A 191 7.345 -5.539 -0.719 1.00 0.00 O ATOM 190 CG2 THR A 191 7.968 -5.441 -2.963 1.00 0.00 C ATOM 0 H THR A 191 6.632 -2.280 -0.798 1.00 0.00 H new ATOM 0 HA THR A 191 9.133 -3.921 -0.886 1.00 0.00 H new ATOM 0 HB THR A 191 6.387 -4.233 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 191 6.782 -6.312 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.288 -6.242 -3.253 1.00 0.00 H new ATOM 0 HG22 THR A 191 8.143 -4.787 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 191 8.914 -5.870 -2.634 1.00 0.00 H new ATOM 198 N THR A 192 8.037 -1.571 -2.804 1.00 0.00 N ATOM 199 CA THR A 192 8.418 -0.665 -3.873 1.00 0.00 C ATOM 200 C THR A 192 9.035 0.610 -3.298 1.00 0.00 C ATOM 201 O THR A 192 9.538 1.452 -4.042 1.00 0.00 O ATOM 202 CB THR A 192 7.181 -0.406 -4.736 1.00 0.00 C ATOM 203 OG1 THR A 192 7.214 -1.443 -5.712 1.00 0.00 O ATOM 204 CG2 THR A 192 7.298 0.881 -5.555 1.00 0.00 C ATOM 0 H THR A 192 7.173 -1.322 -2.322 1.00 0.00 H new ATOM 0 HA THR A 192 9.189 -1.103 -4.507 1.00 0.00 H new ATOM 0 HB THR A 192 6.299 -0.352 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.445 -1.351 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.394 1.018 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.422 1.730 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.161 0.814 -6.217 1.00 0.00 H new ATOM 212 N THR A 193 8.978 0.715 -1.979 1.00 0.00 N ATOM 213 CA THR A 193 9.526 1.874 -1.295 1.00 0.00 C ATOM 214 C THR A 193 9.231 3.149 -2.087 1.00 0.00 C ATOM 215 O THR A 193 10.147 3.885 -2.450 1.00 0.00 O ATOM 216 CB THR A 193 11.020 1.629 -1.072 1.00 0.00 C ATOM 217 OG1 THR A 193 11.508 2.878 -0.588 1.00 0.00 O ATOM 218 CG2 THR A 193 11.780 1.417 -2.383 1.00 0.00 C ATOM 0 H THR A 193 8.560 0.016 -1.365 1.00 0.00 H new ATOM 0 HA THR A 193 9.057 2.017 -0.322 1.00 0.00 H new ATOM 0 HB THR A 193 11.153 0.759 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.424 3.556 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.835 1.247 -2.169 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.372 0.551 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.675 2.301 -3.012 1.00 0.00 H new ATOM 226 N LYS A 194 7.948 3.372 -2.330 1.00 0.00 N ATOM 227 CA LYS A 194 7.520 4.546 -3.073 1.00 0.00 C ATOM 228 C LYS A 194 8.268 5.775 -2.551 1.00 0.00 C ATOM 229 O LYS A 194 8.459 6.745 -3.281 1.00 0.00 O ATOM 230 CB LYS A 194 5.997 4.686 -3.023 1.00 0.00 C ATOM 231 CG LYS A 194 5.538 5.196 -1.656 1.00 0.00 C ATOM 232 CD LYS A 194 4.491 6.302 -1.806 1.00 0.00 C ATOM 233 CE LYS A 194 3.078 5.716 -1.838 1.00 0.00 C ATOM 234 NZ LYS A 194 2.204 6.520 -2.723 1.00 0.00 N ATOM 0 H LYS A 194 7.191 2.760 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 194 7.773 4.442 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.666 5.373 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.533 3.722 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 194 5.121 4.372 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 194 6.395 5.575 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.578 7.006 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.677 6.863 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 194 3.113 4.685 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.664 5.694 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 1.249 6.109 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 2.157 7.497 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 2.592 6.519 -3.688 1.00 0.00 H new ATOM 248 N GLY A 195 8.671 5.692 -1.292 1.00 0.00 N ATOM 249 CA GLY A 195 9.394 6.785 -0.664 1.00 0.00 C ATOM 250 C GLY A 195 10.346 6.264 0.415 1.00 0.00 C ATOM 251 O GLY A 195 10.245 6.654 1.578 1.00 0.00 O ATOM 0 H GLY A 195 8.511 4.885 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 195 9.958 7.333 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.687 7.487 -0.222 1.00 0.00 H new TER 255 GLY A 195