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= -1.39 K(o=-1.4,f=-5.1!) 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= -0.321 K(o=-0.32,f=-2.2!) USER MOD Single : A 187 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=-0.082) USER MOD Single : A 188 THR OG1 : rot 109:sc= 1.07 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -72:sc= 1.14 USER MOD Single : A 192 THR OG1 : rot 58:sc= 1.21 USER MOD Single : A 193 THR OG1 : rot -76:sc= 0.138 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.310 0.930 -3.184 1.00 0.00 N ATOM 2 CA VAL A 180 -10.321 -0.343 -3.885 1.00 0.00 C ATOM 3 C VAL A 180 -8.883 -0.764 -4.191 1.00 0.00 C ATOM 4 O VAL A 180 -8.655 -1.779 -4.847 1.00 0.00 O ATOM 5 CB VAL A 180 -11.196 -0.244 -5.136 1.00 0.00 C ATOM 6 CG1 VAL A 180 -10.377 0.222 -6.342 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.890 -1.577 -5.427 1.00 0.00 C ATOM 0 HA VAL A 180 -10.760 -1.120 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.968 0.502 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.022 0.284 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -9.951 1.204 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.574 -0.489 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.506 -1.479 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.139 -2.351 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.520 -1.851 -4.581 1.00 0.00 H new ATOM 17 N ASN A 181 -7.949 0.039 -3.703 1.00 0.00 N ATOM 18 CA ASN A 181 -6.539 -0.237 -3.918 1.00 0.00 C ATOM 19 C ASN A 181 -5.701 0.746 -3.098 1.00 0.00 C ATOM 20 O ASN A 181 -4.634 1.174 -3.536 1.00 0.00 O ATOM 21 CB ASN A 181 -6.161 -0.066 -5.391 1.00 0.00 C ATOM 22 CG ASN A 181 -4.962 -0.943 -5.755 1.00 0.00 C ATOM 23 OD1 ASN A 181 -3.972 -1.011 -5.046 1.00 0.00 O ATOM 24 ND2 ASN A 181 -5.105 -1.608 -6.897 1.00 0.00 N ATOM 0 H ASN A 181 -8.141 0.881 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.347 -1.266 -3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.011 -0.327 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -5.925 0.979 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.359 -2.220 -7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.961 -1.506 -7.443 1.00 0.00 H new ATOM 31 N ILE A 182 -6.215 1.075 -1.922 1.00 0.00 N ATOM 32 CA ILE A 182 -5.528 2.000 -1.036 1.00 0.00 C ATOM 33 C ILE A 182 -4.501 1.232 -0.202 1.00 0.00 C ATOM 34 O ILE A 182 -3.336 1.621 -0.132 1.00 0.00 O ATOM 35 CB ILE A 182 -6.536 2.789 -0.198 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.296 3.797 -1.062 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.851 3.456 0.997 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.735 3.338 -1.303 1.00 0.00 C ATOM 0 H ILE A 182 -7.100 0.717 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.979 2.744 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.271 2.091 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.298 4.771 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.785 3.921 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.589 4.011 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.394 2.693 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.081 4.140 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.253 4.073 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.729 2.375 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.250 3.239 -0.348 1.00 0.00 H new ATOM 50 N THR A 183 -4.970 0.155 0.411 1.00 0.00 N ATOM 51 CA THR A 183 -4.108 -0.672 1.239 1.00 0.00 C ATOM 52 C THR A 183 -3.092 -1.417 0.371 1.00 0.00 C ATOM 53 O THR A 183 -1.922 -1.528 0.735 1.00 0.00 O ATOM 54 CB THR A 183 -4.996 -1.601 2.068 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.529 -0.757 3.084 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.190 -2.648 2.838 1.00 0.00 C ATOM 0 H THR A 183 -5.937 -0.164 0.351 1.00 0.00 H new ATOM 0 HA THR A 183 -3.519 -0.065 1.926 1.00 0.00 H new ATOM 0 HB THR A 183 -5.709 -2.102 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.119 -1.279 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.868 -3.281 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.626 -3.262 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.500 -2.148 3.518 1.00 0.00 H new ATOM 64 N ILE A 184 -3.575 -1.909 -0.761 1.00 0.00 N ATOM 65 CA ILE A 184 -2.723 -2.640 -1.682 1.00 0.00 C ATOM 66 C ILE A 184 -1.528 -1.767 -2.069 1.00 0.00 C ATOM 67 O ILE A 184 -0.387 -2.226 -2.050 1.00 0.00 O ATOM 68 CB ILE A 184 -3.534 -3.137 -2.881 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.312 -4.407 -2.528 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.638 -3.337 -4.105 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.749 -4.075 -2.122 1.00 0.00 C ATOM 0 H ILE A 184 -4.546 -1.815 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.323 -3.533 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.266 -2.371 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.319 -5.083 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -3.812 -4.929 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.240 -3.690 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.168 -2.390 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.868 -4.073 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.279 -4.995 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.739 -3.419 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.254 -3.574 -2.948 1.00 0.00 H new ATOM 83 N LYS A 185 -1.831 -0.523 -2.411 1.00 0.00 N ATOM 84 CA LYS A 185 -0.796 0.419 -2.801 1.00 0.00 C ATOM 85 C LYS A 185 0.111 0.699 -1.601 1.00 0.00 C ATOM 86 O LYS A 185 1.273 1.065 -1.769 1.00 0.00 O ATOM 87 CB LYS A 185 -1.419 1.678 -3.408 1.00 0.00 C ATOM 88 CG LYS A 185 -0.638 2.135 -4.643 1.00 0.00 C ATOM 89 CD LYS A 185 -0.190 3.591 -4.501 1.00 0.00 C ATOM 90 CE LYS A 185 -0.103 4.274 -5.866 1.00 0.00 C ATOM 91 NZ LYS A 185 1.291 4.266 -6.362 1.00 0.00 N ATOM 0 H LYS A 185 -2.779 -0.146 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.168 -0.007 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.455 1.480 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.432 2.476 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.233 1.495 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.260 2.027 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.892 4.130 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.782 3.630 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.751 3.762 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.462 5.300 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.332 4.734 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.901 4.774 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.621 3.284 -6.454 1.00 0.00 H new ATOM 105 N GLN A 186 -0.454 0.517 -0.417 1.00 0.00 N ATOM 106 CA GLN A 186 0.289 0.746 0.810 1.00 0.00 C ATOM 107 C GLN A 186 1.274 -0.399 1.055 1.00 0.00 C ATOM 108 O GLN A 186 2.475 -0.172 1.187 1.00 0.00 O ATOM 109 CB GLN A 186 -0.657 0.918 2.000 1.00 0.00 C ATOM 110 CG GLN A 186 -0.622 2.356 2.524 1.00 0.00 C ATOM 111 CD GLN A 186 0.119 2.434 3.860 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.250 1.462 4.585 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.595 3.644 4.144 1.00 0.00 N ATOM 0 H GLN A 186 -1.418 0.213 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 186 0.856 1.671 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.673 0.660 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.374 0.230 2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.133 3.001 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.639 2.727 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 186 0.450 4.415 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.105 3.800 5.013 1.00 0.00 H new ATOM 122 N HIS A 187 0.729 -1.606 1.109 1.00 0.00 N ATOM 123 CA HIS A 187 1.545 -2.786 1.336 1.00 0.00 C ATOM 124 C HIS A 187 2.604 -2.897 0.238 1.00 0.00 C ATOM 125 O HIS A 187 3.586 -3.623 0.389 1.00 0.00 O ATOM 126 CB HIS A 187 0.671 -4.038 1.445 1.00 0.00 C ATOM 127 CG HIS A 187 1.452 -5.328 1.523 1.00 0.00 C ATOM 128 ND1 HIS A 187 2.193 -5.689 2.635 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.600 -6.336 0.616 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.757 -6.864 2.397 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.389 -7.263 1.146 1.00 0.00 N ATOM 0 H HIS A 187 -0.268 -1.792 0.999 1.00 0.00 H new ATOM 0 HA HIS A 187 2.067 -2.693 2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.041 -3.953 2.330 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.005 -4.080 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 187 1.152 -6.374 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 187 3.396 -7.410 3.075 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.673 -8.131 0.692 1.00 0.00 H new ATOM 140 N THR A 188 2.369 -2.165 -0.842 1.00 0.00 N ATOM 141 CA THR A 188 3.291 -2.172 -1.964 1.00 0.00 C ATOM 142 C THR A 188 4.419 -1.164 -1.735 1.00 0.00 C ATOM 143 O THR A 188 5.481 -1.265 -2.348 1.00 0.00 O ATOM 144 CB THR A 188 2.488 -1.904 -3.238 1.00 0.00 C ATOM 145 OG1 THR A 188 1.562 -2.985 -3.299 1.00 0.00 O ATOM 146 CG2 THR A 188 3.329 -2.062 -4.506 1.00 0.00 C ATOM 0 H THR A 188 1.554 -1.564 -0.963 1.00 0.00 H new ATOM 0 HA THR A 188 3.779 -3.141 -2.067 1.00 0.00 H new ATOM 0 HB THR A 188 2.075 -0.896 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.660 -2.654 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.710 -1.861 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.161 -1.359 -4.481 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.716 -3.080 -4.562 1.00 0.00 H new ATOM 154 N VAL A 189 4.152 -0.217 -0.849 1.00 0.00 N ATOM 155 CA VAL A 189 5.130 0.809 -0.530 1.00 0.00 C ATOM 156 C VAL A 189 6.258 0.190 0.300 1.00 0.00 C ATOM 157 O VAL A 189 7.297 0.816 0.506 1.00 0.00 O ATOM 158 CB VAL A 189 4.448 1.985 0.171 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.474 2.877 0.871 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.599 2.792 -0.813 1.00 0.00 C ATOM 0 H VAL A 189 3.271 -0.138 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 189 5.576 1.208 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 189 3.783 1.580 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.962 3.705 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.016 2.294 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.177 3.269 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.125 3.622 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.235 3.181 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.831 2.149 -1.244 1.00 0.00 H new ATOM 170 N THR A 190 6.014 -1.031 0.754 1.00 0.00 N ATOM 171 CA THR A 190 6.996 -1.740 1.556 1.00 0.00 C ATOM 172 C THR A 190 8.181 -2.172 0.690 1.00 0.00 C ATOM 173 O THR A 190 9.318 -1.776 0.946 1.00 0.00 O ATOM 174 CB THR A 190 6.289 -2.910 2.244 1.00 0.00 C ATOM 175 OG1 THR A 190 5.538 -2.295 3.288 1.00 0.00 O ATOM 176 CG2 THR A 190 7.263 -3.833 2.979 1.00 0.00 C ATOM 0 H THR A 190 5.151 -1.547 0.582 1.00 0.00 H new ATOM 0 HA THR A 190 7.416 -1.095 2.328 1.00 0.00 H new ATOM 0 HB THR A 190 5.734 -3.485 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.046 -2.981 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.709 -4.646 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.980 -4.245 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.795 -3.266 3.743 1.00 0.00 H new ATOM 184 N THR A 191 7.876 -2.977 -0.316 1.00 0.00 N ATOM 185 CA THR A 191 8.902 -3.467 -1.221 1.00 0.00 C ATOM 186 C THR A 191 9.109 -2.483 -2.374 1.00 0.00 C ATOM 187 O THR A 191 9.189 -2.888 -3.533 1.00 0.00 O ATOM 188 CB THR A 191 8.495 -4.867 -1.683 1.00 0.00 C ATOM 189 OG1 THR A 191 9.453 -5.194 -2.686 1.00 0.00 O ATOM 190 CG2 THR A 191 7.159 -4.873 -2.428 1.00 0.00 C ATOM 0 H THR A 191 6.932 -3.303 -0.525 1.00 0.00 H new ATOM 0 HA THR A 191 9.868 -3.542 -0.721 1.00 0.00 H new ATOM 0 HB THR A 191 8.432 -5.529 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.280 -4.660 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.917 -5.891 -2.734 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.375 -4.495 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.231 -4.237 -3.310 1.00 0.00 H new ATOM 198 N THR A 192 9.190 -1.209 -2.016 1.00 0.00 N ATOM 199 CA THR A 192 9.386 -0.165 -3.007 1.00 0.00 C ATOM 200 C THR A 192 9.699 1.167 -2.322 1.00 0.00 C ATOM 201 O THR A 192 10.550 1.923 -2.785 1.00 0.00 O ATOM 202 CB THR A 192 8.142 -0.115 -3.895 1.00 0.00 C ATOM 203 OG1 THR A 192 8.521 -0.837 -5.064 1.00 0.00 O ATOM 204 CG2 THR A 192 7.844 1.295 -4.408 1.00 0.00 C ATOM 0 H THR A 192 9.123 -0.877 -1.054 1.00 0.00 H new ATOM 0 HA THR A 192 10.246 -0.378 -3.642 1.00 0.00 H new ATOM 0 HB THR A 192 7.283 -0.487 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.786 -1.747 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.951 1.274 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.679 1.963 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.689 1.655 -4.995 1.00 0.00 H new ATOM 212 N THR A 193 8.991 1.414 -1.229 1.00 0.00 N ATOM 213 CA THR A 193 9.180 2.642 -0.476 1.00 0.00 C ATOM 214 C THR A 193 8.983 3.859 -1.381 1.00 0.00 C ATOM 215 O THR A 193 9.813 4.766 -1.397 1.00 0.00 O ATOM 216 CB THR A 193 10.563 2.587 0.176 1.00 0.00 C ATOM 217 OG1 THR A 193 11.440 3.097 -0.825 1.00 0.00 O ATOM 218 CG2 THR A 193 11.048 1.153 0.401 1.00 0.00 C ATOM 0 H THR A 193 8.285 0.784 -0.847 1.00 0.00 H new ATOM 0 HA THR A 193 8.435 2.741 0.314 1.00 0.00 H new ATOM 0 HB THR A 193 10.535 3.115 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.581 2.415 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.034 1.171 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.349 0.631 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.108 0.635 -0.556 1.00 0.00 H new ATOM 226 N LYS A 194 7.879 3.839 -2.114 1.00 0.00 N ATOM 227 CA LYS A 194 7.562 4.929 -3.020 1.00 0.00 C ATOM 228 C LYS A 194 7.448 6.231 -2.224 1.00 0.00 C ATOM 229 O LYS A 194 6.423 6.490 -1.596 1.00 0.00 O ATOM 230 CB LYS A 194 6.316 4.599 -3.842 1.00 0.00 C ATOM 231 CG LYS A 194 6.222 5.491 -5.081 1.00 0.00 C ATOM 232 CD LYS A 194 5.392 6.743 -4.793 1.00 0.00 C ATOM 233 CE LYS A 194 4.764 7.292 -6.076 1.00 0.00 C ATOM 234 NZ LYS A 194 3.827 8.394 -5.765 1.00 0.00 N ATOM 0 H LYS A 194 7.193 3.084 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 194 8.364 5.067 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.343 3.552 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.426 4.730 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 194 7.223 5.780 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.772 4.933 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.609 6.507 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 194 6.024 7.506 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 194 5.546 7.650 -6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 194 4.236 6.495 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 3.410 8.755 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 3.071 8.042 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.340 9.161 -5.286 1.00 0.00 H new ATOM 248 N GLY A 195 8.514 7.016 -2.278 1.00 0.00 N ATOM 249 CA GLY A 195 8.544 8.285 -1.569 1.00 0.00 C ATOM 250 C GLY A 195 7.690 9.333 -2.284 1.00 0.00 C ATOM 251 O GLY A 195 6.595 9.660 -1.830 1.00 0.00 O ATOM 0 H GLY A 195 9.362 6.799 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.179 8.146 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.572 8.639 -1.493 1.00 0.00 H new TER 255 GLY A 195