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 :FLIP amide:sc= 0.586 F(o=-0.39,f=0.59) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 158:sc= -0.039 (180deg=-0.365) USER MOD Single : A 186 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.8!) USER MOD Single : A 187 HIS : no HD1:sc=-0.00313 X(o=-0.0031,f=-0.0031) USER MOD Single : A 188 THR OG1 : rot 122:sc= 1.13 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -41:sc= 0.648 USER MOD Single : A 192 THR OG1 : rot 82:sc= -2.78! USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.330 0.213 -2.453 1.00 0.00 N ATOM 2 CA VAL A 180 -10.081 -1.214 -2.564 1.00 0.00 C ATOM 3 C VAL A 180 -8.699 -1.440 -3.180 1.00 0.00 C ATOM 4 O VAL A 180 -8.307 -2.578 -3.431 1.00 0.00 O ATOM 5 CB VAL A 180 -11.205 -1.881 -3.359 1.00 0.00 C ATOM 6 CG1 VAL A 180 -10.895 -1.877 -4.857 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.464 -3.303 -2.856 1.00 0.00 C ATOM 0 HA VAL A 180 -10.078 -1.679 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 180 -12.114 -1.300 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.710 -2.357 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.785 -0.849 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.969 -2.422 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.268 -3.754 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.558 -3.899 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -11.752 -3.270 -1.805 1.00 0.00 H new ATOM 17 N ASN A 181 -7.998 -0.338 -3.404 1.00 0.00 N ATOM 18 CA ASN A 181 -6.668 -0.402 -3.984 1.00 0.00 C ATOM 19 C ASN A 181 -5.740 0.550 -3.229 1.00 0.00 C ATOM 20 O ASN A 181 -4.658 0.882 -3.711 1.00 0.00 O ATOM 21 CB ASN A 181 -6.688 0.023 -5.453 1.00 0.00 C ATOM 22 CG ASN A 181 -5.527 -0.610 -6.224 1.00 0.00 C ATOM 23 OD1 ASN A 181 -5.837 -0.978 -7.463 1.00 0.00 O flip ATOM 24 ND2 ASN A 181 -4.423 -0.754 -5.725 1.00 0.00 N flip ATOM 0 H ASN A 181 -8.327 0.604 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.317 -1.431 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.634 -0.271 -5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.625 1.109 -5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.253 -0.449 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -3.670 -1.180 -6.266 1.00 0.00 H new ATOM 31 N ILE A 182 -6.197 0.964 -2.055 1.00 0.00 N ATOM 32 CA ILE A 182 -5.421 1.872 -1.228 1.00 0.00 C ATOM 33 C ILE A 182 -4.414 1.069 -0.402 1.00 0.00 C ATOM 34 O ILE A 182 -3.206 1.266 -0.526 1.00 0.00 O ATOM 35 CB ILE A 182 -6.346 2.750 -0.383 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.941 3.883 -1.222 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.622 3.276 0.857 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.449 3.693 -1.408 1.00 0.00 C ATOM 0 H ILE A 182 -7.095 0.687 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.848 2.559 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.176 2.135 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.748 4.840 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.452 3.915 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.302 3.897 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.286 2.436 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.761 3.870 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.848 4.511 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.637 2.747 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.938 3.686 -0.434 1.00 0.00 H new ATOM 50 N THR A 183 -4.948 0.179 0.422 1.00 0.00 N ATOM 51 CA THR A 183 -4.111 -0.655 1.267 1.00 0.00 C ATOM 52 C THR A 183 -3.118 -1.450 0.417 1.00 0.00 C ATOM 53 O THR A 183 -1.997 -1.712 0.848 1.00 0.00 O ATOM 54 CB THR A 183 -5.027 -1.539 2.117 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.289 -0.753 3.277 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.311 -2.777 2.657 1.00 0.00 C ATOM 0 H THR A 183 -5.950 0.018 0.522 1.00 0.00 H new ATOM 0 HA THR A 183 -3.503 -0.050 1.940 1.00 0.00 H new ATOM 0 HB THR A 183 -5.886 -1.849 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.878 -1.250 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.006 -3.369 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.944 -3.377 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.471 -2.469 3.280 1.00 0.00 H new ATOM 64 N ILE A 184 -3.567 -1.812 -0.776 1.00 0.00 N ATOM 65 CA ILE A 184 -2.733 -2.572 -1.691 1.00 0.00 C ATOM 66 C ILE A 184 -1.513 -1.733 -2.079 1.00 0.00 C ATOM 67 O ILE A 184 -0.388 -2.229 -2.076 1.00 0.00 O ATOM 68 CB ILE A 184 -3.553 -3.055 -2.888 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.501 -4.186 -2.483 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.642 -3.461 -4.049 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.957 -3.808 -2.765 1.00 0.00 C ATOM 0 H ILE A 184 -4.498 -1.593 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.359 -3.474 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.169 -2.226 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.245 -5.094 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.378 -4.407 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.250 -3.801 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.043 -2.604 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.983 -4.268 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.610 -4.629 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.217 -2.914 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.082 -3.612 -3.830 1.00 0.00 H new ATOM 83 N LYS A 185 -1.779 -0.476 -2.403 1.00 0.00 N ATOM 84 CA LYS A 185 -0.718 0.436 -2.793 1.00 0.00 C ATOM 85 C LYS A 185 0.186 0.706 -1.588 1.00 0.00 C ATOM 86 O LYS A 185 1.358 1.040 -1.749 1.00 0.00 O ATOM 87 CB LYS A 185 -1.304 1.705 -3.417 1.00 0.00 C ATOM 88 CG LYS A 185 -1.653 1.479 -4.890 1.00 0.00 C ATOM 89 CD LYS A 185 -0.706 2.261 -5.804 1.00 0.00 C ATOM 90 CE LYS A 185 0.628 1.527 -5.967 1.00 0.00 C ATOM 91 NZ LYS A 185 0.449 0.304 -6.781 1.00 0.00 N ATOM 0 H LYS A 185 -2.714 -0.068 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.095 -0.014 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.197 2.005 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.588 2.522 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.593 0.416 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.682 1.789 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.170 2.401 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.531 3.254 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.356 2.184 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.028 1.264 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.362 0.025 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.092 -0.465 -6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -0.233 0.491 -7.544 1.00 0.00 H new ATOM 105 N GLN A 186 -0.396 0.549 -0.407 1.00 0.00 N ATOM 106 CA GLN A 186 0.343 0.771 0.824 1.00 0.00 C ATOM 107 C GLN A 186 1.292 -0.398 1.092 1.00 0.00 C ATOM 108 O GLN A 186 2.501 -0.207 1.209 1.00 0.00 O ATOM 109 CB GLN A 186 -0.610 0.986 2.004 1.00 0.00 C ATOM 110 CG GLN A 186 -0.535 2.427 2.513 1.00 0.00 C ATOM 111 CD GLN A 186 0.195 2.496 3.855 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.873 1.571 4.272 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.021 3.642 4.508 1.00 0.00 N ATOM 0 H GLN A 186 -1.369 0.271 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 186 0.938 1.677 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.631 0.757 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.357 0.298 2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.019 3.049 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.541 2.831 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.559 4.377 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.468 3.786 5.413 1.00 0.00 H new ATOM 122 N HIS A 187 0.708 -1.583 1.184 1.00 0.00 N ATOM 123 CA HIS A 187 1.487 -2.784 1.436 1.00 0.00 C ATOM 124 C HIS A 187 2.589 -2.911 0.382 1.00 0.00 C ATOM 125 O HIS A 187 3.569 -3.627 0.588 1.00 0.00 O ATOM 126 CB HIS A 187 0.582 -4.016 1.499 1.00 0.00 C ATOM 127 CG HIS A 187 1.313 -5.300 1.809 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.170 -6.447 1.048 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.194 -5.605 2.805 1.00 0.00 C ATOM 130 CE1 HIS A 187 1.935 -7.395 1.571 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.568 -6.871 2.660 1.00 0.00 N ATOM 0 H HIS A 187 -0.296 -1.738 1.089 1.00 0.00 H new ATOM 0 HA HIS A 187 1.970 -2.710 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.183 -3.853 2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.067 -4.125 0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.530 -4.932 3.580 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.039 -8.404 1.200 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.221 -7.370 3.264 1.00 0.00 H new ATOM 140 N THR A 188 2.392 -2.207 -0.723 1.00 0.00 N ATOM 141 CA THR A 188 3.358 -2.232 -1.808 1.00 0.00 C ATOM 142 C THR A 188 4.467 -1.209 -1.558 1.00 0.00 C ATOM 143 O THR A 188 5.564 -1.334 -2.101 1.00 0.00 O ATOM 144 CB THR A 188 2.602 -2.001 -3.118 1.00 0.00 C ATOM 145 OG1 THR A 188 1.667 -3.076 -3.173 1.00 0.00 O ATOM 146 CG2 THR A 188 3.486 -2.212 -4.350 1.00 0.00 C ATOM 0 H THR A 188 1.578 -1.616 -0.890 1.00 0.00 H new ATOM 0 HA THR A 188 3.859 -3.198 -1.870 1.00 0.00 H new ATOM 0 HB THR A 188 2.198 -0.989 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.757 -2.716 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.901 -2.036 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.325 -1.516 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.863 -3.235 -4.356 1.00 0.00 H new ATOM 154 N VAL A 189 4.144 -0.221 -0.738 1.00 0.00 N ATOM 155 CA VAL A 189 5.100 0.823 -0.409 1.00 0.00 C ATOM 156 C VAL A 189 6.266 0.214 0.373 1.00 0.00 C ATOM 157 O VAL A 189 7.292 0.862 0.568 1.00 0.00 O ATOM 158 CB VAL A 189 4.401 1.955 0.345 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.419 2.937 0.927 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.397 2.677 -0.557 1.00 0.00 C ATOM 0 H VAL A 189 3.233 -0.121 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 189 5.512 1.262 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 189 3.849 1.513 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.895 3.732 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.077 2.411 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.011 3.369 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.914 3.477 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 189 3.918 3.099 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.643 1.969 -0.902 1.00 0.00 H new ATOM 170 N THR A 190 6.066 -1.024 0.800 1.00 0.00 N ATOM 171 CA THR A 190 7.087 -1.728 1.557 1.00 0.00 C ATOM 172 C THR A 190 8.178 -2.254 0.621 1.00 0.00 C ATOM 173 O THR A 190 9.366 -2.112 0.907 1.00 0.00 O ATOM 174 CB THR A 190 6.401 -2.829 2.368 1.00 0.00 C ATOM 175 OG1 THR A 190 5.818 -2.137 3.469 1.00 0.00 O ATOM 176 CG2 THR A 190 7.400 -3.787 3.019 1.00 0.00 C ATOM 0 H THR A 190 5.212 -1.558 0.636 1.00 0.00 H new ATOM 0 HA THR A 190 7.593 -1.059 2.253 1.00 0.00 H new ATOM 0 HB THR A 190 5.729 -3.391 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.351 -2.776 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.860 -4.548 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.002 -4.266 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 190 8.051 -3.231 3.693 1.00 0.00 H new ATOM 184 N THR A 191 7.735 -2.849 -0.477 1.00 0.00 N ATOM 185 CA THR A 191 8.659 -3.395 -1.455 1.00 0.00 C ATOM 186 C THR A 191 8.788 -2.451 -2.653 1.00 0.00 C ATOM 187 O THR A 191 9.568 -2.707 -3.569 1.00 0.00 O ATOM 188 CB THR A 191 8.170 -4.794 -1.836 1.00 0.00 C ATOM 189 OG1 THR A 191 9.167 -5.278 -2.732 1.00 0.00 O ATOM 190 CG2 THR A 191 6.894 -4.760 -2.680 1.00 0.00 C ATOM 0 H THR A 191 6.749 -2.965 -0.710 1.00 0.00 H new ATOM 0 HA THR A 191 9.664 -3.485 -1.042 1.00 0.00 H new ATOM 0 HB THR A 191 7.990 -5.374 -0.931 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.444 -4.556 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.591 -5.779 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.099 -4.269 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.082 -4.208 -3.601 1.00 0.00 H new ATOM 198 N THR A 192 8.011 -1.379 -2.606 1.00 0.00 N ATOM 199 CA THR A 192 8.028 -0.395 -3.675 1.00 0.00 C ATOM 200 C THR A 192 8.597 0.933 -3.169 1.00 0.00 C ATOM 201 O THR A 192 9.032 1.768 -3.961 1.00 0.00 O ATOM 202 CB THR A 192 6.608 -0.275 -4.231 1.00 0.00 C ATOM 203 OG1 THR A 192 6.209 -1.624 -4.458 1.00 0.00 O ATOM 204 CG2 THR A 192 6.575 0.362 -5.622 1.00 0.00 C ATOM 0 H THR A 192 7.366 -1.170 -1.844 1.00 0.00 H new ATOM 0 HA THR A 192 8.685 -0.706 -4.487 1.00 0.00 H new ATOM 0 HB THR A 192 5.999 0.316 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 192 5.896 -2.018 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 192 5.544 0.423 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.002 1.364 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 192 7.156 -0.247 -6.315 1.00 0.00 H new ATOM 212 N THR A 193 8.575 1.086 -1.853 1.00 0.00 N ATOM 213 CA THR A 193 9.082 2.297 -1.232 1.00 0.00 C ATOM 214 C THR A 193 8.731 3.520 -2.082 1.00 0.00 C ATOM 215 O THR A 193 9.585 4.366 -2.342 1.00 0.00 O ATOM 216 CB THR A 193 10.587 2.121 -1.012 1.00 0.00 C ATOM 217 OG1 THR A 193 10.743 0.724 -0.783 1.00 0.00 O ATOM 218 CG2 THR A 193 11.068 2.769 0.287 1.00 0.00 C ATOM 0 H THR A 193 8.214 0.391 -1.200 1.00 0.00 H new ATOM 0 HA THR A 193 8.615 2.470 -0.262 1.00 0.00 H new ATOM 0 HB THR A 193 11.130 2.551 -1.854 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.690 0.521 -0.633 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.142 2.615 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.855 3.838 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 193 10.550 2.317 1.133 1.00 0.00 H new ATOM 226 N LYS A 194 7.472 3.574 -2.492 1.00 0.00 N ATOM 227 CA LYS A 194 6.997 4.679 -3.307 1.00 0.00 C ATOM 228 C LYS A 194 6.922 5.945 -2.450 1.00 0.00 C ATOM 229 O LYS A 194 6.861 7.053 -2.978 1.00 0.00 O ATOM 230 CB LYS A 194 5.674 4.316 -3.984 1.00 0.00 C ATOM 231 CG LYS A 194 4.520 4.338 -2.980 1.00 0.00 C ATOM 232 CD LYS A 194 3.302 5.060 -3.561 1.00 0.00 C ATOM 233 CE LYS A 194 2.442 5.664 -2.449 1.00 0.00 C ATOM 234 NZ LYS A 194 2.463 7.142 -2.522 1.00 0.00 N ATOM 0 H LYS A 194 6.766 2.870 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 194 7.698 4.883 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.471 5.018 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.751 3.326 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.248 3.317 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 194 4.839 4.835 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 194 3.631 5.847 -4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 194 2.706 4.361 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 194 1.417 5.304 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.811 5.337 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 1.874 7.536 -1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 3.440 7.481 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 2.089 7.449 -3.442 1.00 0.00 H new ATOM 248 N GLY A 195 6.930 5.735 -1.141 1.00 0.00 N ATOM 249 CA GLY A 195 6.863 6.845 -0.206 1.00 0.00 C ATOM 250 C GLY A 195 6.784 6.343 1.237 1.00 0.00 C ATOM 251 O GLY A 195 5.711 5.965 1.708 1.00 0.00 O ATOM 0 H GLY A 195 6.982 4.813 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 195 7.741 7.480 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 195 5.992 7.461 -0.429 1.00 0.00 H new TER 255 GLY A 195