USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=9 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 :FLIP amide:sc= -0.532 F(o=-1.4,f=-0.53) 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= -0.0791 K(o=-0.079,f=-0.78) USER MOD Single : A 187 HIS :FLIP no HE2:sc= -0.657 F(o=-2.2!,f=-0.66) USER MOD Single : A 188 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -50:sc= 1.08 USER MOD Single : A 192 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 193 THR OG1 : rot -78:sc= 0.276 USER MOD Single : A 194 LYS NZ :NH3+ -122:sc= -1.83 (180deg=-5.82!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.691 0.796 -4.853 1.00 0.00 N ATOM 2 CA VAL A 180 -10.301 -0.271 -3.947 1.00 0.00 C ATOM 3 C VAL A 180 -8.867 -0.702 -4.261 1.00 0.00 C ATOM 4 O VAL A 180 -8.650 -1.697 -4.950 1.00 0.00 O ATOM 5 CB VAL A 180 -11.304 -1.423 -4.034 1.00 0.00 C ATOM 6 CG1 VAL A 180 -12.609 -1.068 -3.320 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.563 -1.816 -5.489 1.00 0.00 C ATOM 0 HA VAL A 180 -10.317 0.079 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.869 -2.285 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -13.305 -1.904 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -12.404 -0.861 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.049 -0.186 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.279 -2.637 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.966 -0.960 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -10.628 -2.131 -5.953 1.00 0.00 H new ATOM 17 N ASN A 181 -7.924 0.070 -3.739 1.00 0.00 N ATOM 18 CA ASN A 181 -6.516 -0.220 -3.955 1.00 0.00 C ATOM 19 C ASN A 181 -5.669 0.754 -3.135 1.00 0.00 C ATOM 20 O ASN A 181 -4.598 1.172 -3.573 1.00 0.00 O ATOM 21 CB ASN A 181 -6.138 -0.051 -5.428 1.00 0.00 C ATOM 22 CG ASN A 181 -4.803 -0.731 -5.733 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.899 -1.762 -6.567 1.00 0.00 O flip ATOM 24 ND2 ASN A 181 -3.754 -0.346 -5.244 1.00 0.00 N flip ATOM 0 H ASN A 181 -8.107 0.895 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.333 -1.251 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.919 -0.476 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.074 1.010 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -3.750 0.453 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -2.881 -0.823 -5.469 1.00 0.00 H new ATOM 31 N ILE A 182 -6.178 1.086 -1.957 1.00 0.00 N ATOM 32 CA ILE A 182 -5.481 2.003 -1.072 1.00 0.00 C ATOM 33 C ILE A 182 -4.460 1.224 -0.239 1.00 0.00 C ATOM 34 O ILE A 182 -3.288 1.591 -0.186 1.00 0.00 O ATOM 35 CB ILE A 182 -6.481 2.799 -0.231 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.271 3.779 -1.100 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.781 3.503 0.934 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.673 3.243 -1.395 1.00 0.00 C ATOM 0 H ILE A 182 -7.065 0.736 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.925 2.742 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.198 2.099 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.345 4.741 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.739 3.951 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.515 4.061 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.301 2.761 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.028 4.189 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.213 3.959 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.596 2.292 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.211 3.095 -0.458 1.00 0.00 H new ATOM 50 N THR A 183 -4.945 0.163 0.389 1.00 0.00 N ATOM 51 CA THR A 183 -4.089 -0.671 1.217 1.00 0.00 C ATOM 52 C THR A 183 -3.052 -1.394 0.354 1.00 0.00 C ATOM 53 O THR A 183 -1.871 -1.427 0.693 1.00 0.00 O ATOM 54 CB THR A 183 -4.984 -1.621 2.015 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.587 -0.784 2.999 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.180 -2.636 2.831 1.00 0.00 C ATOM 0 H THR A 183 -5.918 -0.138 0.342 1.00 0.00 H new ATOM 0 HA THR A 183 -3.516 -0.071 1.924 1.00 0.00 H new ATOM 0 HB THR A 183 -5.651 -2.150 1.334 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.186 -1.319 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.863 -3.286 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.566 -3.237 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.538 -2.109 3.536 1.00 0.00 H new ATOM 64 N ILE A 184 -3.534 -1.955 -0.746 1.00 0.00 N ATOM 65 CA ILE A 184 -2.665 -2.675 -1.661 1.00 0.00 C ATOM 66 C ILE A 184 -1.477 -1.786 -2.035 1.00 0.00 C ATOM 67 O ILE A 184 -0.327 -2.211 -1.946 1.00 0.00 O ATOM 68 CB ILE A 184 -3.458 -3.182 -2.867 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.395 -4.324 -2.466 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.522 -3.582 -4.010 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.845 -3.842 -2.391 1.00 0.00 C ATOM 0 H ILE A 184 -4.515 -1.925 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.259 -3.565 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.082 -2.367 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.315 -5.136 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.091 -4.726 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.111 -3.939 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.933 -2.718 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.854 -4.375 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.490 -4.672 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.926 -3.047 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.153 -3.463 -3.365 1.00 0.00 H new ATOM 83 N LYS A 185 -1.797 -0.568 -2.447 1.00 0.00 N ATOM 84 CA LYS A 185 -0.771 0.385 -2.835 1.00 0.00 C ATOM 85 C LYS A 185 0.138 0.665 -1.637 1.00 0.00 C ATOM 86 O LYS A 185 1.306 1.012 -1.808 1.00 0.00 O ATOM 87 CB LYS A 185 -1.406 1.641 -3.434 1.00 0.00 C ATOM 88 CG LYS A 185 -0.561 2.185 -4.588 1.00 0.00 C ATOM 89 CD LYS A 185 -0.547 3.715 -4.584 1.00 0.00 C ATOM 90 CE LYS A 185 -1.323 4.274 -5.778 1.00 0.00 C ATOM 91 NZ LYS A 185 -0.395 4.845 -6.778 1.00 0.00 N ATOM 0 H LYS A 185 -2.753 -0.219 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.142 -0.031 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.410 1.411 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.509 2.404 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.459 1.808 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.959 1.824 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.985 4.084 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.482 4.073 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.918 3.483 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -2.019 5.041 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.938 5.220 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.154 5.613 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 0.253 4.104 -7.114 1.00 0.00 H new ATOM 105 N GLN A 186 -0.433 0.505 -0.452 1.00 0.00 N ATOM 106 CA GLN A 186 0.313 0.737 0.774 1.00 0.00 C ATOM 107 C GLN A 186 1.277 -0.420 1.035 1.00 0.00 C ATOM 108 O GLN A 186 2.482 -0.211 1.168 1.00 0.00 O ATOM 109 CB GLN A 186 -0.633 0.941 1.959 1.00 0.00 C ATOM 110 CG GLN A 186 -0.575 2.384 2.465 1.00 0.00 C ATOM 111 CD GLN A 186 0.210 2.476 3.775 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.063 1.657 4.075 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.124 3.514 4.535 1.00 0.00 N ATOM 0 H GLN A 186 -1.402 0.218 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 186 0.897 1.650 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.653 0.697 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.364 0.258 2.765 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.108 3.018 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.587 2.761 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.847 4.162 4.224 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.343 3.662 5.429 1.00 0.00 H new ATOM 122 N HIS A 187 0.713 -1.617 1.103 1.00 0.00 N ATOM 123 CA HIS A 187 1.508 -2.808 1.347 1.00 0.00 C ATOM 124 C HIS A 187 2.623 -2.903 0.303 1.00 0.00 C ATOM 125 O HIS A 187 3.611 -3.606 0.507 1.00 0.00 O ATOM 126 CB HIS A 187 0.622 -4.055 1.384 1.00 0.00 C ATOM 127 CG HIS A 187 1.381 -5.339 1.620 1.00 0.00 C ATOM 128 ND1 HIS A 187 2.349 -5.951 0.880 1.00 0.00 N flip ATOM 129 CD2 HIS A 187 1.167 -6.143 2.726 1.00 0.00 C flip ATOM 130 CE1 HIS A 187 2.711 -7.067 1.502 1.00 0.00 C flip ATOM 131 NE2 HIS A 187 1.978 -7.188 2.646 1.00 0.00 N flip ATOM 0 H HIS A 187 -0.287 -1.787 0.993 1.00 0.00 H new ATOM 0 HA HIS A 187 1.980 -2.740 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.124 -3.936 2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.081 -4.132 0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 187 2.731 -5.609 -0.002 1.00 0.00 H new ATOM 0 HD2 HIS A 187 0.460 -5.951 3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 187 3.462 -7.764 1.159 1.00 0.00 H new ATOM 140 N THR A 188 2.427 -2.185 -0.793 1.00 0.00 N ATOM 141 CA THR A 188 3.402 -2.179 -1.868 1.00 0.00 C ATOM 142 C THR A 188 4.494 -1.143 -1.593 1.00 0.00 C ATOM 143 O THR A 188 5.595 -1.237 -2.136 1.00 0.00 O ATOM 144 CB THR A 188 2.656 -1.940 -3.183 1.00 0.00 C ATOM 145 OG1 THR A 188 1.750 -3.037 -3.272 1.00 0.00 O ATOM 146 CG2 THR A 188 3.559 -2.102 -4.408 1.00 0.00 C ATOM 0 H THR A 188 1.606 -1.603 -0.959 1.00 0.00 H new ATOM 0 HA THR A 188 3.917 -3.137 -1.939 1.00 0.00 H new ATOM 0 HB THR A 188 2.227 -0.938 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.842 -2.728 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.980 -1.922 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.379 -1.386 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.963 -3.114 -4.431 1.00 0.00 H new ATOM 154 N VAL A 189 4.153 -0.180 -0.750 1.00 0.00 N ATOM 155 CA VAL A 189 5.090 0.872 -0.396 1.00 0.00 C ATOM 156 C VAL A 189 6.242 0.272 0.410 1.00 0.00 C ATOM 157 O VAL A 189 7.247 0.938 0.655 1.00 0.00 O ATOM 158 CB VAL A 189 4.361 1.993 0.346 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.355 2.988 0.951 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.366 2.705 -0.574 1.00 0.00 C ATOM 0 H VAL A 189 3.240 -0.106 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 189 5.519 1.319 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 189 3.798 1.541 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.810 3.775 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.006 2.469 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 189 5.957 3.429 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.862 3.497 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 189 3.899 3.136 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.628 1.989 -0.936 1.00 0.00 H new ATOM 170 N THR A 190 6.059 -0.981 0.802 1.00 0.00 N ATOM 171 CA THR A 190 7.071 -1.679 1.577 1.00 0.00 C ATOM 172 C THR A 190 8.157 -2.238 0.654 1.00 0.00 C ATOM 173 O THR A 190 9.346 -2.073 0.919 1.00 0.00 O ATOM 174 CB THR A 190 6.370 -2.752 2.411 1.00 0.00 C ATOM 175 OG1 THR A 190 5.743 -2.022 3.462 1.00 0.00 O ATOM 176 CG2 THR A 190 7.360 -3.669 3.135 1.00 0.00 C ATOM 0 H THR A 190 5.225 -1.531 0.597 1.00 0.00 H new ATOM 0 HA THR A 190 7.585 -1.002 2.259 1.00 0.00 H new ATOM 0 HB THR A 190 5.725 -3.349 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.263 -2.642 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.811 -4.413 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.992 -4.172 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.982 -3.076 3.805 1.00 0.00 H new ATOM 184 N THR A 191 7.706 -2.887 -0.409 1.00 0.00 N ATOM 185 CA THR A 191 8.625 -3.472 -1.372 1.00 0.00 C ATOM 186 C THR A 191 8.817 -2.533 -2.564 1.00 0.00 C ATOM 187 O THR A 191 8.794 -2.969 -3.713 1.00 0.00 O ATOM 188 CB THR A 191 8.085 -4.849 -1.765 1.00 0.00 C ATOM 189 OG1 THR A 191 9.002 -5.312 -2.753 1.00 0.00 O ATOM 190 CG2 THR A 191 6.749 -4.764 -2.506 1.00 0.00 C ATOM 0 H THR A 191 6.718 -3.021 -0.625 1.00 0.00 H new ATOM 0 HA THR A 191 9.617 -3.606 -0.941 1.00 0.00 H new ATOM 0 HB THR A 191 7.965 -5.461 -0.871 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.128 -4.618 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.410 -5.768 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.008 -4.283 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 191 6.875 -4.180 -3.418 1.00 0.00 H new ATOM 198 N THR A 192 9.003 -1.258 -2.248 1.00 0.00 N ATOM 199 CA THR A 192 9.199 -0.254 -3.279 1.00 0.00 C ATOM 200 C THR A 192 9.541 1.097 -2.648 1.00 0.00 C ATOM 201 O THR A 192 10.365 1.842 -3.176 1.00 0.00 O ATOM 202 CB THR A 192 7.941 -0.217 -4.150 1.00 0.00 C ATOM 203 OG1 THR A 192 8.284 -1.000 -5.290 1.00 0.00 O ATOM 204 CG2 THR A 192 7.666 1.175 -4.721 1.00 0.00 C ATOM 0 H THR A 192 9.022 -0.899 -1.293 1.00 0.00 H new ATOM 0 HA THR A 192 10.046 -0.504 -3.918 1.00 0.00 H new ATOM 0 HB THR A 192 7.083 -0.544 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.350 -1.943 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.763 1.146 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.529 1.883 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.509 1.489 -5.336 1.00 0.00 H new ATOM 212 N THR A 193 8.891 1.372 -1.527 1.00 0.00 N ATOM 213 CA THR A 193 9.116 2.620 -0.818 1.00 0.00 C ATOM 214 C THR A 193 8.753 3.812 -1.707 1.00 0.00 C ATOM 215 O THR A 193 9.508 4.779 -1.795 1.00 0.00 O ATOM 216 CB THR A 193 10.570 2.639 -0.342 1.00 0.00 C ATOM 217 OG1 THR A 193 11.283 3.225 -1.427 1.00 0.00 O ATOM 218 CG2 THR A 193 11.163 1.233 -0.221 1.00 0.00 C ATOM 0 H THR A 193 8.208 0.752 -1.092 1.00 0.00 H new ATOM 0 HA THR A 193 8.471 2.698 0.057 1.00 0.00 H new ATOM 0 HB THR A 193 10.631 3.143 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.418 2.555 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.196 1.302 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.582 0.654 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.134 0.741 -1.193 1.00 0.00 H new ATOM 226 N LYS A 194 7.597 3.703 -2.345 1.00 0.00 N ATOM 227 CA LYS A 194 7.125 4.758 -3.225 1.00 0.00 C ATOM 228 C LYS A 194 7.005 6.061 -2.432 1.00 0.00 C ATOM 229 O LYS A 194 6.660 6.045 -1.251 1.00 0.00 O ATOM 230 CB LYS A 194 5.826 4.339 -3.917 1.00 0.00 C ATOM 231 CG LYS A 194 4.647 4.385 -2.945 1.00 0.00 C ATOM 232 CD LYS A 194 3.432 5.057 -3.587 1.00 0.00 C ATOM 233 CE LYS A 194 2.431 5.513 -2.523 1.00 0.00 C ATOM 234 NZ LYS A 194 1.123 5.826 -3.142 1.00 0.00 N ATOM 0 H LYS A 194 6.973 2.900 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 194 7.843 4.935 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.631 4.999 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.932 3.331 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.386 3.373 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 194 4.934 4.929 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 194 3.756 5.914 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 194 2.948 4.362 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 194 2.307 4.732 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.815 6.393 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 0.866 6.812 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 1.187 5.697 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 0.396 5.189 -2.758 1.00 0.00 H new ATOM 248 N GLY A 195 7.298 7.160 -3.113 1.00 0.00 N ATOM 249 CA GLY A 195 7.227 8.469 -2.487 1.00 0.00 C ATOM 250 C GLY A 195 6.545 9.482 -3.408 1.00 0.00 C ATOM 251 O GLY A 195 6.702 10.689 -3.234 1.00 0.00 O ATOM 0 H GLY A 195 7.585 7.170 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 195 6.677 8.398 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.232 8.814 -2.242 1.00 0.00 H new TER 255 GLY A 195