USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=8 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= -1.25! C(o=-1.3!,f=-2.7!) 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 :FLIP no HD1:sc= -0.0925 F(o=-0.72,f=-0.093) USER MOD Single : A 188 THR OG1 : rot 114:sc= 1.05 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -54:sc= 1.05 USER MOD Single : A 192 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 193 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 194 LYS NZ :NH3+ -123:sc= -1.06 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.197 1.113 -2.720 1.00 0.00 N ATOM 2 CA VAL A 180 -10.157 -0.329 -2.893 1.00 0.00 C ATOM 3 C VAL A 180 -8.780 -0.739 -3.416 1.00 0.00 C ATOM 4 O VAL A 180 -8.561 -1.900 -3.757 1.00 0.00 O ATOM 5 CB VAL A 180 -11.302 -0.778 -3.805 1.00 0.00 C ATOM 6 CG1 VAL A 180 -12.550 -1.121 -2.990 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.611 0.287 -4.861 1.00 0.00 C ATOM 0 HA VAL A 180 -10.303 -0.832 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.983 -1.682 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -13.348 -1.437 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -12.320 -1.929 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.873 -0.242 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.428 -0.056 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.900 1.215 -4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -10.725 0.461 -5.472 1.00 0.00 H new ATOM 17 N ASN A 181 -7.886 0.238 -3.465 1.00 0.00 N ATOM 18 CA ASN A 181 -6.536 -0.007 -3.941 1.00 0.00 C ATOM 19 C ASN A 181 -5.550 0.829 -3.120 1.00 0.00 C ATOM 20 O ASN A 181 -4.423 1.065 -3.550 1.00 0.00 O ATOM 21 CB ASN A 181 -6.387 0.397 -5.409 1.00 0.00 C ATOM 22 CG ASN A 181 -6.617 1.899 -5.592 1.00 0.00 C ATOM 23 OD1 ASN A 181 -5.966 2.730 -4.981 1.00 0.00 O ATOM 24 ND2 ASN A 181 -7.576 2.198 -6.463 1.00 0.00 N ATOM 0 H ASN A 181 -8.071 1.201 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.331 -1.072 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -5.391 0.133 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.100 -0.160 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -7.805 3.173 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -8.082 1.452 -6.940 1.00 0.00 H new ATOM 31 N ILE A 182 -6.013 1.253 -1.952 1.00 0.00 N ATOM 32 CA ILE A 182 -5.187 2.056 -1.068 1.00 0.00 C ATOM 33 C ILE A 182 -4.283 1.136 -0.245 1.00 0.00 C ATOM 34 O ILE A 182 -3.065 1.305 -0.234 1.00 0.00 O ATOM 35 CB ILE A 182 -6.057 2.983 -0.218 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.531 4.189 -1.032 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.326 3.405 1.058 1.00 0.00 C ATOM 38 CD1 ILE A 182 -7.961 3.982 -1.537 1.00 0.00 C ATOM 0 H ILE A 182 -6.949 1.055 -1.599 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.535 2.710 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 182 -6.946 2.431 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.485 5.088 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -5.862 4.347 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.967 4.064 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.080 2.521 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.409 3.932 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.273 4.853 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.998 3.096 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.631 3.849 -0.688 1.00 0.00 H new ATOM 50 N THR A 183 -4.916 0.183 0.423 1.00 0.00 N ATOM 51 CA THR A 183 -4.183 -0.765 1.248 1.00 0.00 C ATOM 52 C THR A 183 -3.167 -1.533 0.401 1.00 0.00 C ATOM 53 O THR A 183 -2.037 -1.759 0.834 1.00 0.00 O ATOM 54 CB THR A 183 -5.201 -1.670 1.945 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.615 -0.916 3.081 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.557 -2.922 2.544 1.00 0.00 C ATOM 0 H THR A 183 -5.927 0.046 0.411 1.00 0.00 H new ATOM 0 HA THR A 183 -3.601 -0.255 2.015 1.00 0.00 H new ATOM 0 HB THR A 183 -5.973 -1.963 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.278 -1.428 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.323 -3.530 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 183 -4.080 -3.500 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.809 -2.629 3.280 1.00 0.00 H new ATOM 64 N ILE A 184 -3.603 -1.915 -0.790 1.00 0.00 N ATOM 65 CA ILE A 184 -2.745 -2.653 -1.701 1.00 0.00 C ATOM 66 C ILE A 184 -1.543 -1.785 -2.078 1.00 0.00 C ATOM 67 O ILE A 184 -0.406 -2.253 -2.060 1.00 0.00 O ATOM 68 CB ILE A 184 -3.546 -3.152 -2.905 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.625 -4.147 -2.472 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.621 -3.738 -3.974 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.005 -3.487 -2.457 1.00 0.00 C ATOM 0 H ILE A 184 -4.540 -1.727 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.353 -3.547 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.056 -2.299 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.633 -4.999 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.392 -4.533 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.216 -4.085 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.924 -2.971 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.064 -4.575 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.753 -4.216 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.001 -2.650 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.246 -3.124 -3.456 1.00 0.00 H new ATOM 83 N LYS A 185 -1.837 -0.537 -2.412 1.00 0.00 N ATOM 84 CA LYS A 185 -0.794 0.401 -2.793 1.00 0.00 C ATOM 85 C LYS A 185 0.096 0.687 -1.583 1.00 0.00 C ATOM 86 O LYS A 185 1.260 1.056 -1.736 1.00 0.00 O ATOM 87 CB LYS A 185 -1.404 1.656 -3.419 1.00 0.00 C ATOM 88 CG LYS A 185 -0.349 2.455 -4.186 1.00 0.00 C ATOM 89 CD LYS A 185 -0.321 2.051 -5.661 1.00 0.00 C ATOM 90 CE LYS A 185 1.096 2.155 -6.231 1.00 0.00 C ATOM 91 NZ LYS A 185 1.421 3.561 -6.555 1.00 0.00 N ATOM 0 H LYS A 185 -2.782 -0.153 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.155 -0.032 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.213 1.374 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.842 2.280 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.562 3.521 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 185 0.632 2.289 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.686 1.030 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.994 2.692 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.814 1.766 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.180 1.540 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.385 3.614 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.746 3.920 -7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.361 4.139 -5.692 1.00 0.00 H new ATOM 105 N GLN A 186 -0.484 0.507 -0.405 1.00 0.00 N ATOM 106 CA GLN A 186 0.241 0.741 0.831 1.00 0.00 C ATOM 107 C GLN A 186 1.226 -0.400 1.093 1.00 0.00 C ATOM 108 O GLN A 186 2.426 -0.170 1.234 1.00 0.00 O ATOM 109 CB GLN A 186 -0.721 0.916 2.007 1.00 0.00 C ATOM 110 CG GLN A 186 -0.693 2.353 2.531 1.00 0.00 C ATOM 111 CD GLN A 186 0.049 2.435 3.867 1.00 0.00 C ATOM 112 OE1 GLN A 186 -0.526 2.298 4.935 1.00 0.00 O ATOM 113 NE2 GLN A 186 1.354 2.666 3.749 1.00 0.00 N ATOM 0 H GLN A 186 -1.449 0.201 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 186 0.807 1.667 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.733 0.659 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.450 0.228 2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.208 3.001 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.712 2.719 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 186 1.772 2.771 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.937 2.738 4.583 1.00 0.00 H new ATOM 122 N HIS A 187 0.682 -1.607 1.151 1.00 0.00 N ATOM 123 CA HIS A 187 1.497 -2.785 1.394 1.00 0.00 C ATOM 124 C HIS A 187 2.558 -2.909 0.299 1.00 0.00 C ATOM 125 O HIS A 187 3.545 -3.624 0.464 1.00 0.00 O ATOM 126 CB HIS A 187 0.623 -4.034 1.519 1.00 0.00 C ATOM 127 CG HIS A 187 1.387 -5.285 1.883 1.00 0.00 C ATOM 128 ND1 HIS A 187 2.222 -6.068 1.140 1.00 0.00 N flip ATOM 129 CD2 HIS A 187 1.335 -5.855 3.143 1.00 0.00 C flip ATOM 130 CE1 HIS A 187 2.656 -7.061 1.906 1.00 0.00 C flip ATOM 131 NE2 HIS A 187 2.108 -6.932 3.147 1.00 0.00 N flip ATOM 0 H HIS A 187 -0.314 -1.794 1.034 1.00 0.00 H new ATOM 0 HA HIS A 187 2.018 -2.682 2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.142 -3.855 2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.106 -4.199 0.574 1.00 0.00 H new ATOM 0 HD2 HIS A 187 0.762 -5.485 3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 187 3.333 -7.844 1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.265 -7.555 3.940 1.00 0.00 H new ATOM 140 N THR A 188 2.318 -2.203 -0.796 1.00 0.00 N ATOM 141 CA THR A 188 3.240 -2.225 -1.918 1.00 0.00 C ATOM 142 C THR A 188 4.359 -1.203 -1.710 1.00 0.00 C ATOM 143 O THR A 188 5.423 -1.310 -2.318 1.00 0.00 O ATOM 144 CB THR A 188 2.433 -1.991 -3.198 1.00 0.00 C ATOM 145 OG1 THR A 188 1.517 -3.082 -3.235 1.00 0.00 O ATOM 146 CG2 THR A 188 3.276 -2.168 -4.462 1.00 0.00 C ATOM 0 H THR A 188 1.498 -1.612 -0.930 1.00 0.00 H new ATOM 0 HA THR A 188 3.737 -3.191 -2.002 1.00 0.00 H new ATOM 0 HB THR A 188 2.010 -0.987 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.602 -2.745 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.656 -1.991 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.102 -1.457 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.672 -3.183 -4.496 1.00 0.00 H new ATOM 154 N VAL A 189 4.081 -0.236 -0.849 1.00 0.00 N ATOM 155 CA VAL A 189 5.050 0.805 -0.553 1.00 0.00 C ATOM 156 C VAL A 189 6.199 0.208 0.264 1.00 0.00 C ATOM 157 O VAL A 189 7.228 0.853 0.458 1.00 0.00 O ATOM 158 CB VAL A 189 4.363 1.977 0.150 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.391 2.912 0.789 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.453 2.738 -0.816 1.00 0.00 C ATOM 0 H VAL A 189 3.198 -0.151 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 189 5.477 1.202 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 189 3.740 1.571 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.876 3.737 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.978 2.360 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.053 3.307 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.977 3.566 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.045 3.126 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.688 2.065 -1.202 1.00 0.00 H new ATOM 170 N THR A 190 5.983 -1.017 0.721 1.00 0.00 N ATOM 171 CA THR A 190 6.987 -1.708 1.512 1.00 0.00 C ATOM 172 C THR A 190 8.185 -2.088 0.641 1.00 0.00 C ATOM 173 O THR A 190 9.296 -1.608 0.862 1.00 0.00 O ATOM 174 CB THR A 190 6.317 -2.910 2.181 1.00 0.00 C ATOM 175 OG1 THR A 190 5.550 -2.337 3.237 1.00 0.00 O ATOM 176 CG2 THR A 190 7.320 -3.815 2.898 1.00 0.00 C ATOM 0 H THR A 190 5.128 -1.548 0.559 1.00 0.00 H new ATOM 0 HA THR A 190 7.386 -1.062 2.294 1.00 0.00 H new ATOM 0 HB THR A 190 5.778 -3.488 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.080 -3.047 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.793 -4.652 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.047 -4.193 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.836 -3.246 3.671 1.00 0.00 H new ATOM 184 N THR A 191 7.920 -2.946 -0.333 1.00 0.00 N ATOM 185 CA THR A 191 8.962 -3.395 -1.240 1.00 0.00 C ATOM 186 C THR A 191 9.101 -2.427 -2.416 1.00 0.00 C ATOM 187 O THR A 191 9.166 -2.850 -3.569 1.00 0.00 O ATOM 188 CB THR A 191 8.632 -4.827 -1.668 1.00 0.00 C ATOM 189 OG1 THR A 191 9.682 -5.172 -2.567 1.00 0.00 O ATOM 190 CG2 THR A 191 7.367 -4.906 -2.524 1.00 0.00 C ATOM 0 H THR A 191 6.998 -3.342 -0.514 1.00 0.00 H new ATOM 0 HA THR A 191 9.935 -3.402 -0.750 1.00 0.00 H new ATOM 0 HB THR A 191 8.510 -5.451 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.744 -4.495 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.179 -5.943 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.519 -4.522 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.500 -4.309 -3.426 1.00 0.00 H new ATOM 198 N THR A 192 9.141 -1.145 -2.084 1.00 0.00 N ATOM 199 CA THR A 192 9.270 -0.113 -3.098 1.00 0.00 C ATOM 200 C THR A 192 9.532 1.246 -2.446 1.00 0.00 C ATOM 201 O THR A 192 10.329 2.037 -2.949 1.00 0.00 O ATOM 202 CB THR A 192 8.008 -0.138 -3.963 1.00 0.00 C ATOM 203 OG1 THR A 192 8.401 -0.857 -5.129 1.00 0.00 O ATOM 204 CG2 THR A 192 7.630 1.248 -4.488 1.00 0.00 C ATOM 0 H THR A 192 9.086 -0.798 -1.127 1.00 0.00 H new ATOM 0 HA THR A 192 10.128 -0.300 -3.744 1.00 0.00 H new ATOM 0 HB THR A 192 7.179 -0.544 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.781 -1.722 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.728 1.173 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.447 1.918 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.445 1.642 -5.095 1.00 0.00 H new ATOM 212 N THR A 193 8.846 1.476 -1.336 1.00 0.00 N ATOM 213 CA THR A 193 8.994 2.726 -0.609 1.00 0.00 C ATOM 214 C THR A 193 8.798 3.916 -1.550 1.00 0.00 C ATOM 215 O THR A 193 9.640 4.811 -1.609 1.00 0.00 O ATOM 216 CB THR A 193 10.360 2.713 0.078 1.00 0.00 C ATOM 217 OG1 THR A 193 10.652 1.329 0.248 1.00 0.00 O ATOM 218 CG2 THR A 193 10.303 3.261 1.507 1.00 0.00 C ATOM 0 H THR A 193 8.186 0.818 -0.922 1.00 0.00 H new ATOM 0 HA THR A 193 8.228 2.830 0.160 1.00 0.00 H new ATOM 0 HB THR A 193 11.066 3.301 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.523 1.230 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 193 11.299 3.229 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 193 9.947 4.291 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 193 9.622 2.653 2.103 1.00 0.00 H new ATOM 226 N LYS A 194 7.681 3.888 -2.264 1.00 0.00 N ATOM 227 CA LYS A 194 7.365 4.954 -3.199 1.00 0.00 C ATOM 228 C LYS A 194 7.243 6.276 -2.438 1.00 0.00 C ATOM 229 O LYS A 194 6.184 6.591 -1.898 1.00 0.00 O ATOM 230 CB LYS A 194 6.119 4.598 -4.014 1.00 0.00 C ATOM 231 CG LYS A 194 5.985 5.510 -5.236 1.00 0.00 C ATOM 232 CD LYS A 194 6.977 5.112 -6.329 1.00 0.00 C ATOM 233 CE LYS A 194 8.164 6.077 -6.370 1.00 0.00 C ATOM 234 NZ LYS A 194 9.404 5.391 -5.943 1.00 0.00 N ATOM 0 H LYS A 194 6.985 3.144 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 194 8.170 5.076 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.175 3.558 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.232 4.690 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.968 5.455 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 194 6.158 6.545 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 194 7.334 4.098 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 194 6.475 5.106 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 194 8.287 6.469 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 194 7.970 6.929 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 9.821 5.898 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 9.181 4.415 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 10.082 5.377 -6.731 1.00 0.00 H new ATOM 248 N GLY A 195 8.345 7.013 -2.418 1.00 0.00 N ATOM 249 CA GLY A 195 8.375 8.294 -1.732 1.00 0.00 C ATOM 250 C GLY A 195 7.555 9.340 -2.488 1.00 0.00 C ATOM 251 O GLY A 195 6.789 10.089 -1.883 1.00 0.00 O ATOM 0 H GLY A 195 9.222 6.748 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 195 7.982 8.179 -0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.406 8.635 -1.636 1.00 0.00 H new TER 255 GLY A 195