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= -1.5 K(o=-1.5,f=-6.2!) 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= -0.163 K(o=-0.16,f=-0.87) USER MOD Single : A 187 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.036) USER MOD Single : A 188 THR OG1 : rot 111:sc= 1.2 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -69:sc= 1.04 USER MOD Single : A 192 THR OG1 : rot 55:sc= 1.22 USER MOD Single : A 193 THR OG1 : rot -69:sc= -0.303 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.070 1.087 -3.422 1.00 0.00 N ATOM 2 CA VAL A 180 -10.020 -0.111 -4.243 1.00 0.00 C ATOM 3 C VAL A 180 -8.559 -0.499 -4.481 1.00 0.00 C ATOM 4 O VAL A 180 -8.277 -1.456 -5.201 1.00 0.00 O ATOM 5 CB VAL A 180 -10.798 0.112 -5.541 1.00 0.00 C ATOM 6 CG1 VAL A 180 -12.284 -0.198 -5.349 1.00 0.00 C ATOM 7 CG2 VAL A 180 -10.598 1.536 -6.063 1.00 0.00 C ATOM 0 HA VAL A 180 -10.500 -0.946 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.406 -0.577 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -12.815 -0.031 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -12.402 -1.238 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.695 0.454 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.162 1.668 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.950 2.249 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -9.539 1.707 -6.257 1.00 0.00 H new ATOM 17 N ASN A 181 -7.669 0.264 -3.863 1.00 0.00 N ATOM 18 CA ASN A 181 -6.244 0.011 -3.999 1.00 0.00 C ATOM 19 C ASN A 181 -5.475 0.936 -3.054 1.00 0.00 C ATOM 20 O ASN A 181 -4.390 1.410 -3.390 1.00 0.00 O ATOM 21 CB ASN A 181 -5.768 0.290 -5.426 1.00 0.00 C ATOM 22 CG ASN A 181 -4.362 -0.267 -5.654 1.00 0.00 C ATOM 23 OD1 ASN A 181 -3.622 -0.554 -4.728 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.037 -0.406 -6.937 1.00 0.00 N ATOM 0 H ASN A 181 -7.907 1.057 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.063 -1.036 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.461 -0.158 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -5.772 1.364 -5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -3.120 -0.772 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -4.705 -0.146 -7.663 1.00 0.00 H new ATOM 31 N ILE A 182 -6.065 1.166 -1.891 1.00 0.00 N ATOM 32 CA ILE A 182 -5.449 2.026 -0.895 1.00 0.00 C ATOM 33 C ILE A 182 -4.459 1.207 -0.062 1.00 0.00 C ATOM 34 O ILE A 182 -3.299 1.589 0.081 1.00 0.00 O ATOM 35 CB ILE A 182 -6.519 2.732 -0.060 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.255 3.785 -0.890 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.916 3.325 1.215 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.633 3.279 -1.320 1.00 0.00 C ATOM 0 H ILE A 182 -6.964 0.771 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.880 2.820 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.257 1.991 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.365 4.700 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.665 4.036 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.698 3.821 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.475 2.528 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.145 4.049 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.135 4.047 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.518 2.378 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.229 3.052 -0.436 1.00 0.00 H new ATOM 50 N THR A 183 -4.956 0.097 0.465 1.00 0.00 N ATOM 51 CA THR A 183 -4.130 -0.777 1.279 1.00 0.00 C ATOM 52 C THR A 183 -3.087 -1.486 0.412 1.00 0.00 C ATOM 53 O THR A 183 -1.919 -1.571 0.785 1.00 0.00 O ATOM 54 CB THR A 183 -5.055 -1.741 2.026 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.707 -0.919 2.990 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.284 -2.761 2.866 1.00 0.00 C ATOM 0 H THR A 183 -5.919 -0.216 0.344 1.00 0.00 H new ATOM 0 HA THR A 183 -3.562 -0.210 2.017 1.00 0.00 H new ATOM 0 HB THR A 183 -5.687 -2.266 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.327 -1.464 3.518 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.988 -3.420 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.637 -3.352 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.677 -2.239 3.605 1.00 0.00 H new ATOM 64 N ILE A 184 -3.548 -1.978 -0.728 1.00 0.00 N ATOM 65 CA ILE A 184 -2.670 -2.677 -1.652 1.00 0.00 C ATOM 66 C ILE A 184 -1.503 -1.763 -2.029 1.00 0.00 C ATOM 67 O ILE A 184 -0.342 -2.151 -1.911 1.00 0.00 O ATOM 68 CB ILE A 184 -3.461 -3.195 -2.855 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.445 -4.289 -2.435 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.521 -3.665 -3.967 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.889 -3.796 -2.540 1.00 0.00 C ATOM 0 H ILE A 184 -4.519 -1.907 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.243 -3.560 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.050 -2.371 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.310 -5.167 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.236 -4.598 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.108 -4.028 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.896 -2.833 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.888 -4.469 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.568 -4.592 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.027 -2.933 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.102 -3.511 -3.570 1.00 0.00 H new ATOM 83 N LYS A 185 -1.852 -0.565 -2.477 1.00 0.00 N ATOM 84 CA LYS A 185 -0.848 0.408 -2.872 1.00 0.00 C ATOM 85 C LYS A 185 0.064 0.707 -1.680 1.00 0.00 C ATOM 86 O LYS A 185 1.224 1.074 -1.859 1.00 0.00 O ATOM 87 CB LYS A 185 -1.511 1.652 -3.466 1.00 0.00 C ATOM 88 CG LYS A 185 -0.469 2.716 -3.816 1.00 0.00 C ATOM 89 CD LYS A 185 -1.093 4.113 -3.825 1.00 0.00 C ATOM 90 CE LYS A 185 -1.402 4.567 -5.252 1.00 0.00 C ATOM 91 NZ LYS A 185 -2.661 5.345 -5.286 1.00 0.00 N ATOM 0 H LYS A 185 -2.816 -0.247 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.217 0.003 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.070 1.378 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -2.228 2.061 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.347 2.683 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.038 2.500 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -2.009 4.110 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.412 4.822 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.581 5.175 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -1.486 3.699 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -2.857 5.646 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -3.444 4.753 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -2.568 6.183 -4.677 1.00 0.00 H new ATOM 105 N GLN A 186 -0.495 0.539 -0.491 1.00 0.00 N ATOM 106 CA GLN A 186 0.253 0.786 0.729 1.00 0.00 C ATOM 107 C GLN A 186 1.243 -0.352 0.985 1.00 0.00 C ATOM 108 O GLN A 186 2.441 -0.115 1.136 1.00 0.00 O ATOM 109 CB GLN A 186 -0.688 0.972 1.922 1.00 0.00 C ATOM 110 CG GLN A 186 -0.656 2.417 2.426 1.00 0.00 C ATOM 111 CD GLN A 186 0.098 2.516 3.753 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.024 1.647 4.606 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.825 3.623 3.880 1.00 0.00 N ATOM 0 H GLN A 186 -1.458 0.235 -0.347 1.00 0.00 H new ATOM 0 HA GLN A 186 0.816 1.711 0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.705 0.707 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.399 0.296 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.178 3.055 1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.674 2.784 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 186 0.843 4.311 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.365 3.784 4.730 1.00 0.00 H new ATOM 122 N HIS A 187 0.706 -1.562 1.026 1.00 0.00 N ATOM 123 CA HIS A 187 1.528 -2.737 1.260 1.00 0.00 C ATOM 124 C HIS A 187 2.591 -2.847 0.165 1.00 0.00 C ATOM 125 O HIS A 187 3.568 -3.578 0.316 1.00 0.00 O ATOM 126 CB HIS A 187 0.661 -3.993 1.373 1.00 0.00 C ATOM 127 CG HIS A 187 1.446 -5.264 1.592 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.867 -5.679 2.843 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.881 -6.207 0.707 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.526 -6.820 2.706 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.533 -7.146 1.381 1.00 0.00 N ATOM 0 H HIS A 187 -0.288 -1.754 0.901 1.00 0.00 H new ATOM 0 HA HIS A 187 2.047 -2.637 2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.040 -3.865 2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.069 -4.096 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 187 1.722 -6.192 -0.361 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.978 -7.392 3.503 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.968 -7.975 0.975 1.00 0.00 H new ATOM 140 N THR A 188 2.363 -2.110 -0.911 1.00 0.00 N ATOM 141 CA THR A 188 3.289 -2.115 -2.031 1.00 0.00 C ATOM 142 C THR A 188 4.432 -1.129 -1.784 1.00 0.00 C ATOM 143 O THR A 188 5.495 -1.237 -2.393 1.00 0.00 O ATOM 144 CB THR A 188 2.494 -1.818 -3.304 1.00 0.00 C ATOM 145 OG1 THR A 188 1.544 -2.878 -3.376 1.00 0.00 O ATOM 146 CG2 THR A 188 3.335 -1.983 -4.572 1.00 0.00 C ATOM 0 H THR A 188 1.551 -1.505 -1.032 1.00 0.00 H new ATOM 0 HA THR A 188 3.763 -3.090 -2.147 1.00 0.00 H new ATOM 0 HB THR A 188 2.103 -0.802 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.646 -2.524 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.723 -1.760 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.182 -1.298 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.700 -3.008 -4.636 1.00 0.00 H new ATOM 154 N VAL A 189 4.174 -0.187 -0.887 1.00 0.00 N ATOM 155 CA VAL A 189 5.167 0.819 -0.552 1.00 0.00 C ATOM 156 C VAL A 189 6.262 0.182 0.305 1.00 0.00 C ATOM 157 O VAL A 189 7.312 0.784 0.527 1.00 0.00 O ATOM 158 CB VAL A 189 4.493 2.013 0.129 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.506 2.825 0.939 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.776 2.895 -0.895 1.00 0.00 C ATOM 0 H VAL A 189 3.292 -0.100 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 189 5.642 1.203 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 189 3.744 1.626 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.002 3.667 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.951 2.191 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.288 3.196 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.306 3.736 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.497 3.269 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.013 2.310 -1.409 1.00 0.00 H new ATOM 170 N THR A 190 5.981 -1.029 0.765 1.00 0.00 N ATOM 171 CA THR A 190 6.928 -1.754 1.593 1.00 0.00 C ATOM 172 C THR A 190 8.134 -2.196 0.761 1.00 0.00 C ATOM 173 O THR A 190 9.266 -1.810 1.046 1.00 0.00 O ATOM 174 CB THR A 190 6.187 -2.917 2.254 1.00 0.00 C ATOM 175 OG1 THR A 190 5.408 -2.297 3.273 1.00 0.00 O ATOM 176 CG2 THR A 190 7.125 -3.852 3.019 1.00 0.00 C ATOM 0 H THR A 190 5.110 -1.526 0.579 1.00 0.00 H new ATOM 0 HA THR A 190 7.331 -1.118 2.381 1.00 0.00 H new ATOM 0 HB THR A 190 5.652 -3.485 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.893 -2.980 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.547 -4.660 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.861 -4.271 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.637 -3.293 3.802 1.00 0.00 H new ATOM 184 N THR A 191 7.850 -3.002 -0.252 1.00 0.00 N ATOM 185 CA THR A 191 8.895 -3.502 -1.127 1.00 0.00 C ATOM 186 C THR A 191 9.129 -2.532 -2.288 1.00 0.00 C ATOM 187 O THR A 191 9.206 -2.947 -3.443 1.00 0.00 O ATOM 188 CB THR A 191 8.500 -4.908 -1.583 1.00 0.00 C ATOM 189 OG1 THR A 191 9.519 -5.272 -2.510 1.00 0.00 O ATOM 190 CG2 THR A 191 7.217 -4.915 -2.416 1.00 0.00 C ATOM 0 H THR A 191 6.910 -3.321 -0.486 1.00 0.00 H new ATOM 0 HA THR A 191 9.848 -3.570 -0.603 1.00 0.00 H new ATOM 0 HB THR A 191 8.369 -5.549 -0.711 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.436 -4.725 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.982 -5.937 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.396 -4.512 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.357 -4.301 -3.306 1.00 0.00 H new ATOM 198 N THR A 192 9.234 -1.257 -1.939 1.00 0.00 N ATOM 199 CA THR A 192 9.457 -0.225 -2.937 1.00 0.00 C ATOM 200 C THR A 192 9.757 1.114 -2.260 1.00 0.00 C ATOM 201 O THR A 192 10.607 1.872 -2.725 1.00 0.00 O ATOM 202 CB THR A 192 8.234 -0.182 -3.854 1.00 0.00 C ATOM 203 OG1 THR A 192 8.643 -0.903 -5.013 1.00 0.00 O ATOM 204 CG2 THR A 192 7.942 1.227 -4.377 1.00 0.00 C ATOM 0 H THR A 192 9.169 -0.916 -0.980 1.00 0.00 H new ATOM 0 HA THR A 192 10.331 -0.448 -3.549 1.00 0.00 H new ATOM 0 HB THR A 192 7.364 -0.557 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.959 -1.793 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.064 1.201 -5.023 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.754 1.895 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.799 1.589 -4.944 1.00 0.00 H new ATOM 212 N THR A 193 9.040 1.365 -1.175 1.00 0.00 N ATOM 213 CA THR A 193 9.219 2.600 -0.430 1.00 0.00 C ATOM 214 C THR A 193 8.952 3.809 -1.329 1.00 0.00 C ATOM 215 O THR A 193 9.769 4.725 -1.403 1.00 0.00 O ATOM 216 CB THR A 193 10.624 2.590 0.173 1.00 0.00 C ATOM 217 OG1 THR A 193 11.453 3.099 -0.869 1.00 0.00 O ATOM 218 CG2 THR A 193 11.151 1.172 0.407 1.00 0.00 C ATOM 0 H THR A 193 8.334 0.735 -0.794 1.00 0.00 H new ATOM 0 HA THR A 193 8.501 2.676 0.386 1.00 0.00 H new ATOM 0 HB THR A 193 10.617 3.136 1.116 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.500 2.446 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.152 1.222 0.836 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.488 0.646 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.189 0.637 -0.542 1.00 0.00 H new ATOM 226 N LYS A 194 7.805 3.772 -1.991 1.00 0.00 N ATOM 227 CA LYS A 194 7.420 4.853 -2.882 1.00 0.00 C ATOM 228 C LYS A 194 7.792 6.192 -2.242 1.00 0.00 C ATOM 229 O LYS A 194 8.146 7.141 -2.941 1.00 0.00 O ATOM 230 CB LYS A 194 5.940 4.739 -3.254 1.00 0.00 C ATOM 231 CG LYS A 194 5.070 5.562 -2.302 1.00 0.00 C ATOM 232 CD LYS A 194 4.990 7.021 -2.754 1.00 0.00 C ATOM 233 CE LYS A 194 4.753 7.953 -1.563 1.00 0.00 C ATOM 234 NZ LYS A 194 3.348 8.416 -1.540 1.00 0.00 N ATOM 0 H LYS A 194 7.130 3.010 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 194 7.967 4.786 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.791 5.083 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.633 3.694 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.068 5.136 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.481 5.512 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 194 5.914 7.300 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.183 7.137 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 194 4.986 7.432 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 194 5.424 8.810 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 3.204 9.047 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 3.138 8.931 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 2.714 7.596 -1.459 1.00 0.00 H new ATOM 248 N GLY A 195 7.699 6.228 -0.922 1.00 0.00 N ATOM 249 CA GLY A 195 8.021 7.435 -0.180 1.00 0.00 C ATOM 250 C GLY A 195 8.212 7.131 1.307 1.00 0.00 C ATOM 251 O GLY A 195 8.076 8.017 2.149 1.00 0.00 O ATOM 0 H GLY A 195 7.405 5.440 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.930 7.882 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 195 7.223 8.167 -0.305 1.00 0.00 H new TER 255 GLY A 195