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= -0.142 X(o=-0.14,f=-0.14) 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= -0.19 K(o=-0.19,f=-2!) USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 188 THR OG1 : rot 116:sc= 1.01 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -57:sc= 0.23 USER MOD Single : A 192 THR OG1 : rot 49:sc= 1.2 USER MOD Single : A 193 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -11.262 -1.520 -2.380 1.00 0.00 N ATOM 2 CA VAL A 180 -10.233 -0.597 -1.934 1.00 0.00 C ATOM 3 C VAL A 180 -8.909 -0.946 -2.619 1.00 0.00 C ATOM 4 O VAL A 180 -8.600 -2.119 -2.820 1.00 0.00 O ATOM 5 CB VAL A 180 -10.138 -0.615 -0.408 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.455 -0.165 0.229 1.00 0.00 C ATOM 7 CG2 VAL A 180 -9.728 -1.999 0.100 1.00 0.00 C ATOM 0 HA VAL A 180 -10.488 0.424 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 180 -9.364 0.093 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.360 -0.187 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -11.688 0.850 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.256 -0.837 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -9.668 -1.984 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.468 -2.735 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -8.755 -2.265 -0.313 1.00 0.00 H new ATOM 17 N ASN A 181 -8.163 0.095 -2.960 1.00 0.00 N ATOM 18 CA ASN A 181 -6.881 -0.087 -3.618 1.00 0.00 C ATOM 19 C ASN A 181 -5.828 0.776 -2.921 1.00 0.00 C ATOM 20 O ASN A 181 -4.745 0.998 -3.460 1.00 0.00 O ATOM 21 CB ASN A 181 -6.949 0.343 -5.084 1.00 0.00 C ATOM 22 CG ASN A 181 -5.827 -0.306 -5.899 1.00 0.00 C ATOM 23 OD1 ASN A 181 -5.761 -1.513 -6.061 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.952 0.561 -6.398 1.00 0.00 N ATOM 0 H ASN A 181 -8.422 1.067 -2.793 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.621 -1.144 -3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.916 0.065 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.872 1.428 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.165 0.228 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.067 1.559 -6.224 1.00 0.00 H new ATOM 31 N ILE A 182 -6.182 1.241 -1.731 1.00 0.00 N ATOM 32 CA ILE A 182 -5.281 2.075 -0.955 1.00 0.00 C ATOM 33 C ILE A 182 -4.331 1.183 -0.154 1.00 0.00 C ATOM 34 O ILE A 182 -3.124 1.420 -0.128 1.00 0.00 O ATOM 35 CB ILE A 182 -6.073 3.061 -0.093 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.566 4.245 -0.927 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.252 3.514 1.117 1.00 0.00 C ATOM 38 CD1 ILE A 182 -7.949 3.961 -1.517 1.00 0.00 C ATOM 0 H ILE A 182 -7.081 1.055 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.665 2.687 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 182 -6.955 2.548 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.608 5.140 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -5.858 4.448 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.838 4.214 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.993 2.648 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.340 4.003 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.277 4.818 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.898 3.080 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.659 3.782 -0.710 1.00 0.00 H new ATOM 50 N THR A 183 -4.911 0.176 0.483 1.00 0.00 N ATOM 51 CA THR A 183 -4.131 -0.753 1.282 1.00 0.00 C ATOM 52 C THR A 183 -3.128 -1.502 0.404 1.00 0.00 C ATOM 53 O THR A 183 -1.966 -1.657 0.776 1.00 0.00 O ATOM 54 CB THR A 183 -5.104 -1.677 2.017 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.559 -0.897 3.119 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.400 -2.868 2.670 1.00 0.00 C ATOM 0 H THR A 183 -5.912 -0.017 0.462 1.00 0.00 H new ATOM 0 HA THR A 183 -3.533 -0.228 2.027 1.00 0.00 H new ATOM 0 HB THR A 183 -5.858 -2.039 1.318 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.196 -1.420 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.136 -3.492 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.893 -3.455 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.669 -2.507 3.393 1.00 0.00 H new ATOM 64 N ILE A 184 -3.613 -1.946 -0.746 1.00 0.00 N ATOM 65 CA ILE A 184 -2.773 -2.675 -1.681 1.00 0.00 C ATOM 66 C ILE A 184 -1.593 -1.793 -2.095 1.00 0.00 C ATOM 67 O ILE A 184 -0.448 -2.244 -2.099 1.00 0.00 O ATOM 68 CB ILE A 184 -3.603 -3.185 -2.862 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.629 -4.223 -2.403 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.700 -3.722 -3.974 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.008 -3.587 -2.218 1.00 0.00 C ATOM 0 H ILE A 184 -4.577 -1.815 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.357 -3.563 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.160 -2.345 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.691 -5.027 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.303 -4.672 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.314 -4.078 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.044 -2.926 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.098 -4.545 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.718 -4.347 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.948 -2.800 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.342 -3.161 -3.164 1.00 0.00 H new ATOM 83 N LYS A 185 -1.912 -0.553 -2.432 1.00 0.00 N ATOM 84 CA LYS A 185 -0.892 0.396 -2.845 1.00 0.00 C ATOM 85 C LYS A 185 0.036 0.688 -1.665 1.00 0.00 C ATOM 86 O LYS A 185 1.191 1.063 -1.856 1.00 0.00 O ATOM 87 CB LYS A 185 -1.536 1.647 -3.447 1.00 0.00 C ATOM 88 CG LYS A 185 -0.571 2.357 -4.399 1.00 0.00 C ATOM 89 CD LYS A 185 -1.008 3.803 -4.643 1.00 0.00 C ATOM 90 CE LYS A 185 -0.142 4.780 -3.844 1.00 0.00 C ATOM 91 NZ LYS A 185 -0.553 6.176 -4.113 1.00 0.00 N ATOM 0 H LYS A 185 -2.862 -0.183 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.275 -0.029 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.444 1.371 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.832 2.328 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.435 2.343 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.529 1.821 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.937 4.034 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -2.054 3.923 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.232 4.567 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 185 0.907 4.646 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.044 6.826 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.445 6.380 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -1.548 6.304 -3.838 1.00 0.00 H new ATOM 105 N GLN A 186 -0.506 0.506 -0.469 1.00 0.00 N ATOM 106 CA GLN A 186 0.259 0.747 0.743 1.00 0.00 C ATOM 107 C GLN A 186 1.257 -0.389 0.973 1.00 0.00 C ATOM 108 O GLN A 186 2.459 -0.151 1.079 1.00 0.00 O ATOM 109 CB GLN A 186 -0.666 0.917 1.950 1.00 0.00 C ATOM 110 CG GLN A 186 -0.636 2.357 2.465 1.00 0.00 C ATOM 111 CD GLN A 186 0.202 2.465 3.741 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.907 1.548 4.131 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.087 3.633 4.367 1.00 0.00 N ATOM 0 H GLN A 186 -1.465 0.195 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 186 0.816 1.676 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.685 0.647 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.361 0.236 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.224 3.013 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.652 2.698 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.521 4.358 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.607 3.804 5.228 1.00 0.00 H new ATOM 122 N HIS A 187 0.723 -1.599 1.046 1.00 0.00 N ATOM 123 CA HIS A 187 1.553 -2.772 1.262 1.00 0.00 C ATOM 124 C HIS A 187 2.602 -2.870 0.153 1.00 0.00 C ATOM 125 O HIS A 187 3.598 -3.577 0.296 1.00 0.00 O ATOM 126 CB HIS A 187 0.693 -4.032 1.378 1.00 0.00 C ATOM 127 CG HIS A 187 0.187 -4.305 2.775 1.00 0.00 C ATOM 128 ND1 HIS A 187 0.682 -5.326 3.566 1.00 0.00 N ATOM 129 CD2 HIS A 187 -0.773 -3.677 3.512 1.00 0.00 C ATOM 130 CE1 HIS A 187 0.042 -5.305 4.725 1.00 0.00 C ATOM 131 NE2 HIS A 187 -0.860 -4.284 4.690 1.00 0.00 N ATOM 0 H HIS A 187 -0.275 -1.793 0.959 1.00 0.00 H new ATOM 0 HA HIS A 187 2.084 -2.677 2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.160 -3.940 0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 187 1.275 -4.889 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -1.362 -2.830 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 187 0.206 -5.979 5.553 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -1.497 -4.028 5.444 1.00 0.00 H new ATOM 140 N THR A 188 2.342 -2.151 -0.930 1.00 0.00 N ATOM 141 CA THR A 188 3.251 -2.148 -2.063 1.00 0.00 C ATOM 142 C THR A 188 4.393 -1.158 -1.828 1.00 0.00 C ATOM 143 O THR A 188 5.446 -1.259 -2.454 1.00 0.00 O ATOM 144 CB THR A 188 2.436 -1.848 -3.322 1.00 0.00 C ATOM 145 OG1 THR A 188 1.475 -2.900 -3.372 1.00 0.00 O ATOM 146 CG2 THR A 188 3.252 -2.027 -4.604 1.00 0.00 C ATOM 0 H THR A 188 1.514 -1.566 -1.046 1.00 0.00 H new ATOM 0 HA THR A 188 3.727 -3.120 -2.191 1.00 0.00 H new ATOM 0 HB THR A 188 2.055 -0.828 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.575 -2.526 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.627 -1.802 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.107 -1.351 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.605 -3.056 -4.670 1.00 0.00 H new ATOM 154 N VAL A 189 4.145 -0.221 -0.923 1.00 0.00 N ATOM 155 CA VAL A 189 5.140 0.787 -0.598 1.00 0.00 C ATOM 156 C VAL A 189 6.233 0.157 0.266 1.00 0.00 C ATOM 157 O VAL A 189 7.285 0.759 0.478 1.00 0.00 O ATOM 158 CB VAL A 189 4.467 1.989 0.069 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.490 2.838 0.826 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.706 2.830 -0.956 1.00 0.00 C ATOM 0 H VAL A 189 3.270 -0.139 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 189 5.617 1.160 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 189 3.745 1.611 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.987 3.686 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.967 2.232 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.246 3.202 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.237 3.677 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.399 3.194 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.938 2.219 -1.430 1.00 0.00 H new ATOM 170 N THR A 190 5.948 -1.046 0.742 1.00 0.00 N ATOM 171 CA THR A 190 6.895 -1.764 1.579 1.00 0.00 C ATOM 172 C THR A 190 8.146 -2.128 0.777 1.00 0.00 C ATOM 173 O THR A 190 9.236 -1.635 1.061 1.00 0.00 O ATOM 174 CB THR A 190 6.178 -2.978 2.171 1.00 0.00 C ATOM 175 OG1 THR A 190 5.212 -2.414 3.054 1.00 0.00 O ATOM 176 CG2 THR A 190 7.083 -3.805 3.086 1.00 0.00 C ATOM 0 H THR A 190 5.075 -1.542 0.564 1.00 0.00 H new ATOM 0 HA THR A 190 7.245 -1.142 2.403 1.00 0.00 H new ATOM 0 HB THR A 190 5.806 -3.609 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.700 -3.132 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.524 -4.654 3.479 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.941 -4.166 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.429 -3.185 3.913 1.00 0.00 H new ATOM 184 N THR A 191 7.947 -2.989 -0.210 1.00 0.00 N ATOM 185 CA THR A 191 9.046 -3.426 -1.055 1.00 0.00 C ATOM 186 C THR A 191 9.267 -2.433 -2.196 1.00 0.00 C ATOM 187 O THR A 191 9.425 -2.831 -3.350 1.00 0.00 O ATOM 188 CB THR A 191 8.736 -4.845 -1.536 1.00 0.00 C ATOM 189 OG1 THR A 191 9.968 -5.299 -2.093 1.00 0.00 O ATOM 190 CG2 THR A 191 7.764 -4.865 -2.717 1.00 0.00 C ATOM 0 H THR A 191 7.041 -3.396 -0.444 1.00 0.00 H new ATOM 0 HA THR A 191 9.985 -3.452 -0.502 1.00 0.00 H new ATOM 0 HB THR A 191 8.318 -5.424 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 191 10.257 -4.680 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.579 -5.896 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.824 -4.398 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 191 8.196 -4.315 -3.553 1.00 0.00 H new ATOM 198 N THR A 192 9.273 -1.158 -1.836 1.00 0.00 N ATOM 199 CA THR A 192 9.474 -0.104 -2.816 1.00 0.00 C ATOM 200 C THR A 192 9.834 1.211 -2.119 1.00 0.00 C ATOM 201 O THR A 192 10.707 1.944 -2.583 1.00 0.00 O ATOM 202 CB THR A 192 8.211 -0.010 -3.674 1.00 0.00 C ATOM 203 OG1 THR A 192 8.517 -0.787 -4.828 1.00 0.00 O ATOM 204 CG2 THR A 192 7.980 1.399 -4.225 1.00 0.00 C ATOM 0 H THR A 192 9.142 -0.831 -0.879 1.00 0.00 H new ATOM 0 HA THR A 192 10.315 -0.329 -3.472 1.00 0.00 H new ATOM 0 HB THR A 192 7.348 -0.315 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.879 -1.655 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.071 1.410 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.876 2.101 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.828 1.691 -4.844 1.00 0.00 H new ATOM 212 N THR A 193 9.144 1.468 -1.018 1.00 0.00 N ATOM 213 CA THR A 193 9.381 2.680 -0.253 1.00 0.00 C ATOM 214 C THR A 193 9.125 3.915 -1.119 1.00 0.00 C ATOM 215 O THR A 193 9.951 4.825 -1.167 1.00 0.00 O ATOM 216 CB THR A 193 10.803 2.615 0.308 1.00 0.00 C ATOM 217 OG1 THR A 193 11.117 1.226 0.300 1.00 0.00 O ATOM 218 CG2 THR A 193 10.867 3.003 1.787 1.00 0.00 C ATOM 0 H THR A 193 8.421 0.858 -0.637 1.00 0.00 H new ATOM 0 HA THR A 193 8.689 2.760 0.586 1.00 0.00 H new ATOM 0 HB THR A 193 11.451 3.275 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 193 12.024 1.094 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 193 11.898 2.940 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.503 4.023 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 193 10.245 2.323 2.369 1.00 0.00 H new ATOM 226 N LYS A 194 7.978 3.907 -1.782 1.00 0.00 N ATOM 227 CA LYS A 194 7.604 5.014 -2.644 1.00 0.00 C ATOM 228 C LYS A 194 7.450 6.282 -1.800 1.00 0.00 C ATOM 229 O LYS A 194 7.754 7.381 -2.263 1.00 0.00 O ATOM 230 CB LYS A 194 6.356 4.663 -3.458 1.00 0.00 C ATOM 231 CG LYS A 194 6.170 5.637 -4.622 1.00 0.00 C ATOM 232 CD LYS A 194 5.605 6.973 -4.135 1.00 0.00 C ATOM 233 CE LYS A 194 4.284 7.298 -4.835 1.00 0.00 C ATOM 234 NZ LYS A 194 3.653 8.489 -4.221 1.00 0.00 N ATOM 0 H LYS A 194 7.295 3.150 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 194 8.389 5.209 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.441 3.646 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.478 4.689 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 194 7.126 5.802 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.498 5.202 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 194 5.449 6.935 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 194 6.326 7.768 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 194 4.462 7.479 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 194 3.609 6.445 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 2.757 8.697 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 3.466 8.303 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.292 9.305 -4.309 1.00 0.00 H new ATOM 248 N GLY A 195 6.978 6.087 -0.577 1.00 0.00 N ATOM 249 CA GLY A 195 6.780 7.200 0.334 1.00 0.00 C ATOM 250 C GLY A 195 5.860 6.804 1.491 1.00 0.00 C ATOM 251 O GLY A 195 5.180 7.653 2.067 1.00 0.00 O ATOM 0 H GLY A 195 6.727 5.174 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 195 7.742 7.529 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 195 6.350 8.044 -0.205 1.00 0.00 H new TER 255 GLY A 195