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= -0.0103 X(o=-0.01,f=-0.054) 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= -0.0412 X(o=-0.041,f=-0.27) USER MOD Single : A 187 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 188 THR OG1 : rot 111:sc= 0.972 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -63:sc= 0.976 USER MOD Single : A 192 THR OG1 : rot 59:sc= 1.21 USER MOD Single : A 193 THR OG1 : rot -75:sc= 0.107 USER MOD Single : A 194 LYS NZ :NH3+ -155:sc= -0.0769 (180deg=-0.503) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -11.098 -1.579 -3.102 1.00 0.00 N ATOM 2 CA VAL A 180 -10.092 -0.755 -2.453 1.00 0.00 C ATOM 3 C VAL A 180 -8.720 -1.065 -3.054 1.00 0.00 C ATOM 4 O VAL A 180 -8.376 -2.229 -3.256 1.00 0.00 O ATOM 5 CB VAL A 180 -10.142 -0.963 -0.938 1.00 0.00 C ATOM 6 CG1 VAL A 180 -8.986 -0.239 -0.246 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.490 -0.514 -0.367 1.00 0.00 C ATOM 0 HA VAL A 180 -10.293 0.302 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.033 -2.030 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -9.046 -0.403 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -8.038 -0.626 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.049 0.829 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.499 -0.673 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.641 0.544 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.291 -1.094 -0.826 1.00 0.00 H new ATOM 17 N ASN A 181 -7.974 -0.004 -3.322 1.00 0.00 N ATOM 18 CA ASN A 181 -6.647 -0.149 -3.896 1.00 0.00 C ATOM 19 C ASN A 181 -5.658 0.717 -3.110 1.00 0.00 C ATOM 20 O ASN A 181 -4.547 0.971 -3.571 1.00 0.00 O ATOM 21 CB ASN A 181 -6.623 0.312 -5.355 1.00 0.00 C ATOM 22 CG ASN A 181 -7.103 1.760 -5.479 1.00 0.00 C ATOM 23 OD1 ASN A 181 -8.287 2.053 -5.461 1.00 0.00 O ATOM 24 ND2 ASN A 181 -6.119 2.646 -5.607 1.00 0.00 N ATOM 0 H ASN A 181 -8.263 0.959 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.372 -1.203 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -5.611 0.225 -5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.258 -0.338 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -6.335 3.639 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.148 2.333 -5.614 1.00 0.00 H new ATOM 31 N ILE A 182 -6.100 1.147 -1.937 1.00 0.00 N ATOM 32 CA ILE A 182 -5.270 1.979 -1.084 1.00 0.00 C ATOM 33 C ILE A 182 -4.327 1.088 -0.272 1.00 0.00 C ATOM 34 O ILE A 182 -3.110 1.259 -0.321 1.00 0.00 O ATOM 35 CB ILE A 182 -6.139 2.900 -0.225 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.604 4.118 -1.025 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.408 3.302 1.058 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.004 3.894 -1.599 1.00 0.00 C ATOM 0 H ILE A 182 -7.023 0.934 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.646 2.639 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.032 2.350 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.607 4.999 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -5.902 4.315 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.047 3.956 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.168 2.409 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.488 3.827 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.311 4.775 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.992 3.026 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.708 3.721 -0.785 1.00 0.00 H new ATOM 50 N THR A 183 -4.925 0.157 0.456 1.00 0.00 N ATOM 51 CA THR A 183 -4.155 -0.761 1.277 1.00 0.00 C ATOM 52 C THR A 183 -3.142 -1.521 0.420 1.00 0.00 C ATOM 53 O THR A 183 -2.007 -1.741 0.841 1.00 0.00 O ATOM 54 CB THR A 183 -5.137 -1.675 2.013 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.605 -0.880 3.099 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.440 -2.858 2.690 1.00 0.00 C ATOM 0 H THR A 183 -5.935 0.019 0.494 1.00 0.00 H new ATOM 0 HA THR A 183 -3.566 -0.227 2.022 1.00 0.00 H new ATOM 0 HB THR A 183 -5.883 -2.046 1.311 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.249 -1.396 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.181 -3.475 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.924 -3.455 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.717 -2.487 3.417 1.00 0.00 H new ATOM 64 N ILE A 184 -3.588 -1.903 -0.768 1.00 0.00 N ATOM 65 CA ILE A 184 -2.735 -2.634 -1.689 1.00 0.00 C ATOM 66 C ILE A 184 -1.539 -1.761 -2.072 1.00 0.00 C ATOM 67 O ILE A 184 -0.398 -2.222 -2.054 1.00 0.00 O ATOM 68 CB ILE A 184 -3.543 -3.132 -2.889 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.585 -4.166 -2.458 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.622 -3.669 -3.986 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.945 -3.508 -2.218 1.00 0.00 C ATOM 0 H ILE A 184 -4.530 -1.720 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.337 -3.528 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.085 -2.285 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.679 -4.934 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.253 -4.664 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.222 -4.016 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.953 -2.876 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.033 -4.498 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.667 -4.266 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.853 -2.758 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.286 -3.031 -3.137 1.00 0.00 H new ATOM 83 N LYS A 185 -1.840 -0.516 -2.409 1.00 0.00 N ATOM 84 CA LYS A 185 -0.804 0.427 -2.796 1.00 0.00 C ATOM 85 C LYS A 185 0.095 0.713 -1.592 1.00 0.00 C ATOM 86 O LYS A 185 1.255 1.086 -1.753 1.00 0.00 O ATOM 87 CB LYS A 185 -1.424 1.682 -3.413 1.00 0.00 C ATOM 88 CG LYS A 185 -1.649 1.500 -4.916 1.00 0.00 C ATOM 89 CD LYS A 185 -0.833 2.517 -5.719 1.00 0.00 C ATOM 90 CE LYS A 185 -1.720 3.656 -6.225 1.00 0.00 C ATOM 91 NZ LYS A 185 -1.788 3.642 -7.703 1.00 0.00 N ATOM 0 H LYS A 185 -2.787 -0.138 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.170 -0.001 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.373 1.902 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.771 2.537 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.367 0.489 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.708 1.615 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.036 2.922 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.356 2.020 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -2.722 3.557 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -1.325 4.612 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -2.394 4.421 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.832 3.758 -8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -2.186 2.736 -8.024 1.00 0.00 H new ATOM 105 N GLN A 186 -0.476 0.527 -0.410 1.00 0.00 N ATOM 106 CA GLN A 186 0.259 0.761 0.821 1.00 0.00 C ATOM 107 C GLN A 186 1.251 -0.377 1.071 1.00 0.00 C ATOM 108 O GLN A 186 2.450 -0.141 1.212 1.00 0.00 O ATOM 109 CB GLN A 186 -0.695 0.928 2.005 1.00 0.00 C ATOM 110 CG GLN A 186 -0.673 2.365 2.529 1.00 0.00 C ATOM 111 CD GLN A 186 0.080 2.453 3.859 1.00 0.00 C ATOM 112 OE1 GLN A 186 -0.141 1.684 4.778 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.980 3.432 3.907 1.00 0.00 N ATOM 0 H GLN A 186 -1.439 0.217 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 186 0.821 1.689 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.708 0.664 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.413 0.242 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.199 3.016 1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.694 2.723 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 186 1.115 4.041 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.535 3.573 4.751 1.00 0.00 H new ATOM 122 N HIS A 187 0.713 -1.587 1.120 1.00 0.00 N ATOM 123 CA HIS A 187 1.536 -2.762 1.351 1.00 0.00 C ATOM 124 C HIS A 187 2.589 -2.877 0.247 1.00 0.00 C ATOM 125 O HIS A 187 3.570 -3.604 0.393 1.00 0.00 O ATOM 126 CB HIS A 187 0.669 -4.016 1.476 1.00 0.00 C ATOM 127 CG HIS A 187 0.225 -4.317 2.887 1.00 0.00 C ATOM 128 ND1 HIS A 187 -0.086 -5.595 3.320 1.00 0.00 N ATOM 129 CD2 HIS A 187 0.044 -3.494 3.960 1.00 0.00 C ATOM 130 CE1 HIS A 187 -0.438 -5.531 4.595 1.00 0.00 C ATOM 131 NE2 HIS A 187 -0.358 -4.228 4.990 1.00 0.00 N ATOM 0 H HIS A 187 -0.282 -1.779 1.004 1.00 0.00 H new ATOM 0 HA HIS A 187 2.064 -2.660 2.299 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.213 -3.900 0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 187 1.226 -4.870 1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 187 0.201 -2.426 3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -0.736 -6.365 5.214 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -0.572 -3.876 5.923 1.00 0.00 H new ATOM 140 N THR A 188 2.350 -2.147 -0.833 1.00 0.00 N ATOM 141 CA THR A 188 3.264 -2.159 -1.962 1.00 0.00 C ATOM 142 C THR A 188 4.396 -1.153 -1.740 1.00 0.00 C ATOM 143 O THR A 188 5.454 -1.257 -2.359 1.00 0.00 O ATOM 144 CB THR A 188 2.453 -1.891 -3.231 1.00 0.00 C ATOM 145 OG1 THR A 188 1.523 -2.969 -3.283 1.00 0.00 O ATOM 146 CG2 THR A 188 3.286 -2.055 -4.504 1.00 0.00 C ATOM 0 H THR A 188 1.536 -1.543 -0.950 1.00 0.00 H new ATOM 0 HA THR A 188 3.749 -3.129 -2.069 1.00 0.00 H new ATOM 0 HB THR A 188 2.043 -0.882 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.619 -2.629 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.663 -1.854 -5.375 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.121 -1.354 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.669 -3.074 -4.560 1.00 0.00 H new ATOM 154 N VAL A 189 4.135 -0.201 -0.855 1.00 0.00 N ATOM 155 CA VAL A 189 5.118 0.822 -0.545 1.00 0.00 C ATOM 156 C VAL A 189 6.246 0.205 0.285 1.00 0.00 C ATOM 157 O VAL A 189 7.289 0.826 0.479 1.00 0.00 O ATOM 158 CB VAL A 189 4.440 2.003 0.153 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.468 2.871 0.883 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.629 2.835 -0.842 1.00 0.00 C ATOM 0 H VAL A 189 3.257 -0.117 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 189 5.564 1.213 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 189 3.750 1.603 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.961 3.703 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.984 2.271 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.192 3.258 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.157 3.668 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.290 3.220 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.861 2.210 -1.297 1.00 0.00 H new ATOM 170 N THR A 190 5.998 -1.011 0.751 1.00 0.00 N ATOM 171 CA THR A 190 6.979 -1.718 1.555 1.00 0.00 C ATOM 172 C THR A 190 8.155 -2.167 0.686 1.00 0.00 C ATOM 173 O THR A 190 9.299 -1.791 0.940 1.00 0.00 O ATOM 174 CB THR A 190 6.268 -2.875 2.260 1.00 0.00 C ATOM 175 OG1 THR A 190 5.556 -2.248 3.323 1.00 0.00 O ATOM 176 CG2 THR A 190 7.243 -3.817 2.969 1.00 0.00 C ATOM 0 H THR A 190 5.132 -1.524 0.587 1.00 0.00 H new ATOM 0 HA THR A 190 7.408 -1.068 2.318 1.00 0.00 H new ATOM 0 HB THR A 190 5.683 -3.439 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.064 -2.926 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.687 -4.620 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.933 -4.242 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.805 -3.261 3.720 1.00 0.00 H new ATOM 184 N THR A 191 7.835 -2.966 -0.321 1.00 0.00 N ATOM 185 CA THR A 191 8.851 -3.471 -1.229 1.00 0.00 C ATOM 186 C THR A 191 9.062 -2.496 -2.389 1.00 0.00 C ATOM 187 O THR A 191 9.131 -2.908 -3.545 1.00 0.00 O ATOM 188 CB THR A 191 8.428 -4.870 -1.681 1.00 0.00 C ATOM 189 OG1 THR A 191 9.440 -5.257 -2.607 1.00 0.00 O ATOM 190 CG2 THR A 191 7.146 -4.853 -2.517 1.00 0.00 C ATOM 0 H THR A 191 6.886 -3.276 -0.528 1.00 0.00 H new ATOM 0 HA THR A 191 9.819 -3.552 -0.734 1.00 0.00 H new ATOM 0 HB THR A 191 8.283 -5.505 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.425 -4.654 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.890 -5.871 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.332 -4.431 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.301 -4.245 -3.408 1.00 0.00 H new ATOM 198 N THR A 192 9.159 -1.222 -2.038 1.00 0.00 N ATOM 199 CA THR A 192 9.362 -0.185 -3.035 1.00 0.00 C ATOM 200 C THR A 192 9.682 1.150 -2.359 1.00 0.00 C ATOM 201 O THR A 192 10.536 1.899 -2.830 1.00 0.00 O ATOM 202 CB THR A 192 8.117 -0.133 -3.923 1.00 0.00 C ATOM 203 OG1 THR A 192 8.491 -0.861 -5.089 1.00 0.00 O ATOM 204 CG2 THR A 192 7.824 1.277 -4.440 1.00 0.00 C ATOM 0 H THR A 192 9.101 -0.885 -1.077 1.00 0.00 H new ATOM 0 HA THR A 192 10.221 -0.407 -3.667 1.00 0.00 H new ATOM 0 HB THR A 192 7.257 -0.499 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.746 -1.773 -4.837 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.931 1.257 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.662 1.948 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.670 1.632 -5.028 1.00 0.00 H new ATOM 212 N THR A 193 8.980 1.406 -1.265 1.00 0.00 N ATOM 213 CA THR A 193 9.178 2.637 -0.520 1.00 0.00 C ATOM 214 C THR A 193 8.985 3.850 -1.431 1.00 0.00 C ATOM 215 O THR A 193 9.824 4.749 -1.462 1.00 0.00 O ATOM 216 CB THR A 193 10.563 2.580 0.129 1.00 0.00 C ATOM 217 OG1 THR A 193 11.439 3.074 -0.880 1.00 0.00 O ATOM 218 CG2 THR A 193 11.039 1.145 0.365 1.00 0.00 C ATOM 0 H THR A 193 8.273 0.781 -0.877 1.00 0.00 H new ATOM 0 HA THR A 193 8.436 2.743 0.271 1.00 0.00 H new ATOM 0 HB THR A 193 10.543 3.117 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.570 2.386 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.026 1.160 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.338 0.633 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.093 0.618 -0.588 1.00 0.00 H new ATOM 226 N LYS A 194 7.873 3.837 -2.153 1.00 0.00 N ATOM 227 CA LYS A 194 7.558 4.925 -3.063 1.00 0.00 C ATOM 228 C LYS A 194 7.412 6.224 -2.267 1.00 0.00 C ATOM 229 O LYS A 194 6.301 6.632 -1.935 1.00 0.00 O ATOM 230 CB LYS A 194 6.329 4.579 -3.905 1.00 0.00 C ATOM 231 CG LYS A 194 6.203 5.523 -5.104 1.00 0.00 C ATOM 232 CD LYS A 194 5.873 4.747 -6.381 1.00 0.00 C ATOM 233 CE LYS A 194 7.150 4.329 -7.114 1.00 0.00 C ATOM 234 NZ LYS A 194 7.849 5.517 -7.653 1.00 0.00 N ATOM 0 H LYS A 194 7.179 3.090 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 194 8.371 5.076 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.401 3.549 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.432 4.645 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 194 5.424 6.260 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.135 6.072 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 194 5.286 3.863 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 194 5.258 5.363 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 194 7.808 3.790 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 194 6.903 3.645 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 8.434 5.237 -8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 7.149 6.223 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 8.456 5.927 -6.915 1.00 0.00 H new ATOM 248 N GLY A 195 8.552 6.837 -1.983 1.00 0.00 N ATOM 249 CA GLY A 195 8.566 8.082 -1.233 1.00 0.00 C ATOM 250 C GLY A 195 7.949 9.220 -2.048 1.00 0.00 C ATOM 251 O GLY A 195 7.398 8.990 -3.124 1.00 0.00 O ATOM 0 H GLY A 195 9.472 6.495 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.014 7.956 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.591 8.337 -0.964 1.00 0.00 H new TER 255 GLY A 195