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= -0.0227 K(o=-0.023,f=-0.54) 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 : no HD1:sc= -1.89 K(o=-1.9,f=-0.68) USER MOD Single : A 188 THR OG1 : rot 80:sc= 0.0891 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 193 THR OG1 : rot 14:sc= -0.419! USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.125 -1.548 -0.898 1.00 0.00 N ATOM 2 CA VAL A 180 -9.166 -2.639 -0.912 1.00 0.00 C ATOM 3 C VAL A 180 -8.058 -2.325 -1.919 1.00 0.00 C ATOM 4 O VAL A 180 -7.296 -3.211 -2.305 1.00 0.00 O ATOM 5 CB VAL A 180 -9.882 -3.960 -1.202 1.00 0.00 C ATOM 6 CG1 VAL A 180 -8.964 -5.152 -0.925 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.179 -4.069 -0.399 1.00 0.00 C ATOM 0 HA VAL A 180 -8.695 -2.748 0.065 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.142 -3.975 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -9.496 -6.079 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -8.081 -5.086 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -8.660 -5.142 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.668 -5.017 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.953 -4.021 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -11.843 -3.246 -0.666 1.00 0.00 H new ATOM 17 N ASN A 181 -8.003 -1.062 -2.316 1.00 0.00 N ATOM 18 CA ASN A 181 -7.000 -0.621 -3.270 1.00 0.00 C ATOM 19 C ASN A 181 -6.087 0.409 -2.604 1.00 0.00 C ATOM 20 O ASN A 181 -5.088 0.828 -3.188 1.00 0.00 O ATOM 21 CB ASN A 181 -7.651 0.040 -4.487 1.00 0.00 C ATOM 22 CG ASN A 181 -6.696 0.049 -5.681 1.00 0.00 C ATOM 23 OD1 ASN A 181 -6.014 -0.919 -5.973 1.00 0.00 O ATOM 24 ND2 ASN A 181 -6.685 1.196 -6.356 1.00 0.00 N ATOM 0 H ASN A 181 -8.637 -0.330 -1.994 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.435 -1.495 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -8.564 -0.494 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.940 1.062 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -6.081 1.303 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -7.281 1.969 -6.059 1.00 0.00 H new ATOM 31 N ILE A 182 -6.462 0.790 -1.391 1.00 0.00 N ATOM 32 CA ILE A 182 -5.689 1.763 -0.640 1.00 0.00 C ATOM 33 C ILE A 182 -4.556 1.049 0.099 1.00 0.00 C ATOM 34 O ILE A 182 -3.407 1.483 0.049 1.00 0.00 O ATOM 35 CB ILE A 182 -6.602 2.580 0.277 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.340 3.665 -0.510 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.819 3.161 1.455 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.705 3.163 -0.987 1.00 0.00 C ATOM 0 H ILE A 182 -7.291 0.442 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.226 2.483 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.357 1.911 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.471 4.548 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.740 3.969 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.492 3.737 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.378 2.350 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.028 3.811 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.209 3.953 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.568 2.295 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.311 2.883 -0.125 1.00 0.00 H new ATOM 50 N THR A 183 -4.921 -0.035 0.768 1.00 0.00 N ATOM 51 CA THR A 183 -3.949 -0.815 1.517 1.00 0.00 C ATOM 52 C THR A 183 -2.973 -1.507 0.564 1.00 0.00 C ATOM 53 O THR A 183 -1.818 -1.744 0.917 1.00 0.00 O ATOM 54 CB THR A 183 -4.715 -1.788 2.415 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.925 -1.056 3.619 1.00 0.00 O ATOM 56 CG2 THR A 183 -3.861 -2.981 2.849 1.00 0.00 C ATOM 0 H THR A 183 -5.876 -0.392 0.807 1.00 0.00 H new ATOM 0 HA THR A 183 -3.336 -0.177 2.154 1.00 0.00 H new ATOM 0 HB THR A 183 -5.600 -2.147 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.418 -1.612 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.453 -3.640 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.528 -3.529 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 183 -2.993 -2.625 3.404 1.00 0.00 H new ATOM 64 N ILE A 184 -3.472 -1.812 -0.625 1.00 0.00 N ATOM 65 CA ILE A 184 -2.658 -2.473 -1.631 1.00 0.00 C ATOM 66 C ILE A 184 -1.499 -1.555 -2.026 1.00 0.00 C ATOM 67 O ILE A 184 -0.339 -1.863 -1.758 1.00 0.00 O ATOM 68 CB ILE A 184 -3.523 -2.917 -2.812 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.695 -3.780 -2.341 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.679 -3.625 -3.874 1.00 0.00 C ATOM 71 CD1 ILE A 184 -4.206 -5.140 -1.838 1.00 0.00 C ATOM 0 H ILE A 184 -4.430 -1.614 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.218 -3.385 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.947 -2.027 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -5.233 -3.266 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.399 -3.923 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.318 -3.930 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.910 -2.945 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.207 -4.505 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.058 -5.734 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.689 -5.662 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -3.521 -4.994 -1.003 1.00 0.00 H new ATOM 83 N LYS A 185 -1.855 -0.447 -2.659 1.00 0.00 N ATOM 84 CA LYS A 185 -0.859 0.519 -3.094 1.00 0.00 C ATOM 85 C LYS A 185 0.128 0.776 -1.955 1.00 0.00 C ATOM 86 O LYS A 185 1.299 1.068 -2.196 1.00 0.00 O ATOM 87 CB LYS A 185 -1.535 1.786 -3.620 1.00 0.00 C ATOM 88 CG LYS A 185 -0.496 2.824 -4.050 1.00 0.00 C ATOM 89 CD LYS A 185 -0.843 3.412 -5.418 1.00 0.00 C ATOM 90 CE LYS A 185 0.424 3.799 -6.185 1.00 0.00 C ATOM 91 NZ LYS A 185 0.108 4.066 -7.606 1.00 0.00 N ATOM 0 H LYS A 185 -2.818 -0.196 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.284 0.122 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.176 1.536 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -2.177 2.208 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.446 3.622 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 185 0.491 2.362 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.415 2.686 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -1.478 4.289 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.874 4.684 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.159 2.997 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.978 4.327 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.300 3.212 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -0.576 4.847 -7.669 1.00 0.00 H new ATOM 105 N GLN A 186 -0.380 0.657 -0.737 1.00 0.00 N ATOM 106 CA GLN A 186 0.444 0.872 0.442 1.00 0.00 C ATOM 107 C GLN A 186 1.375 -0.321 0.664 1.00 0.00 C ATOM 108 O GLN A 186 2.585 -0.150 0.806 1.00 0.00 O ATOM 109 CB GLN A 186 -0.422 1.130 1.676 1.00 0.00 C ATOM 110 CG GLN A 186 -0.282 2.577 2.153 1.00 0.00 C ATOM 111 CD GLN A 186 0.614 2.660 3.391 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.772 2.276 3.379 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.016 3.184 4.457 1.00 0.00 N ATOM 0 H GLN A 186 -1.351 0.415 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 186 1.056 1.759 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.466 0.920 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.132 0.450 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.137 3.188 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.266 2.985 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.957 3.486 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.530 3.284 5.332 1.00 0.00 H new ATOM 122 N HIS A 187 0.775 -1.502 0.690 1.00 0.00 N ATOM 123 CA HIS A 187 1.536 -2.723 0.893 1.00 0.00 C ATOM 124 C HIS A 187 2.655 -2.810 -0.147 1.00 0.00 C ATOM 125 O HIS A 187 3.625 -3.543 0.039 1.00 0.00 O ATOM 126 CB HIS A 187 0.616 -3.946 0.878 1.00 0.00 C ATOM 127 CG HIS A 187 1.340 -5.261 1.031 1.00 0.00 C ATOM 128 ND1 HIS A 187 0.773 -6.475 0.681 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.590 -5.542 1.500 1.00 0.00 C ATOM 130 CE1 HIS A 187 1.651 -7.434 0.933 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.776 -6.854 1.440 1.00 0.00 N ATOM 0 H HIS A 187 -0.229 -1.639 0.574 1.00 0.00 H new ATOM 0 HA HIS A 187 2.003 -2.704 1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.113 -3.849 1.682 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.058 -3.957 -0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 187 3.307 -4.819 1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 187 1.502 -8.491 0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.621 -7.348 1.726 1.00 0.00 H new ATOM 140 N THR A 188 2.480 -2.054 -1.220 1.00 0.00 N ATOM 141 CA THR A 188 3.463 -2.037 -2.291 1.00 0.00 C ATOM 142 C THR A 188 4.612 -1.087 -1.945 1.00 0.00 C ATOM 143 O THR A 188 5.703 -1.199 -2.502 1.00 0.00 O ATOM 144 CB THR A 188 2.742 -1.669 -3.589 1.00 0.00 C ATOM 145 OG1 THR A 188 1.879 -2.776 -3.832 1.00 0.00 O ATOM 146 CG2 THR A 188 3.680 -1.655 -4.798 1.00 0.00 C ATOM 0 H THR A 188 1.673 -1.449 -1.372 1.00 0.00 H new ATOM 0 HA THR A 188 3.921 -3.017 -2.423 1.00 0.00 H new ATOM 0 HB THR A 188 2.277 -0.689 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 188 1.075 -2.692 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.117 -1.388 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.472 -0.924 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.120 -2.644 -4.928 1.00 0.00 H new ATOM 154 N VAL A 189 4.328 -0.175 -1.028 1.00 0.00 N ATOM 155 CA VAL A 189 5.324 0.793 -0.600 1.00 0.00 C ATOM 156 C VAL A 189 6.340 0.104 0.313 1.00 0.00 C ATOM 157 O VAL A 189 7.484 0.542 0.417 1.00 0.00 O ATOM 158 CB VAL A 189 4.640 1.991 0.062 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.657 2.865 0.798 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.853 2.808 -0.964 1.00 0.00 C ATOM 0 H VAL A 189 3.422 -0.085 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 189 5.871 1.183 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 189 3.933 1.609 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.145 3.709 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.153 2.276 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.399 3.234 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.377 3.653 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.531 3.175 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.090 2.179 -1.422 1.00 0.00 H new ATOM 170 N THR A 190 5.883 -0.963 0.953 1.00 0.00 N ATOM 171 CA THR A 190 6.738 -1.717 1.855 1.00 0.00 C ATOM 172 C THR A 190 7.889 -2.364 1.082 1.00 0.00 C ATOM 173 O THR A 190 9.043 -2.285 1.500 1.00 0.00 O ATOM 174 CB THR A 190 5.863 -2.726 2.602 1.00 0.00 C ATOM 175 OG1 THR A 190 5.066 -1.923 3.465 1.00 0.00 O ATOM 176 CG2 THR A 190 6.672 -3.609 3.554 1.00 0.00 C ATOM 0 H THR A 190 4.933 -1.323 0.865 1.00 0.00 H new ATOM 0 HA THR A 190 7.209 -1.066 2.592 1.00 0.00 H new ATOM 0 HB THR A 190 5.338 -3.354 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.467 -2.498 3.986 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.004 -4.307 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.418 -4.166 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.171 -2.984 4.295 1.00 0.00 H new ATOM 184 N THR A 191 7.534 -2.990 -0.030 1.00 0.00 N ATOM 185 CA THR A 191 8.524 -3.651 -0.865 1.00 0.00 C ATOM 186 C THR A 191 9.172 -2.646 -1.820 1.00 0.00 C ATOM 187 O THR A 191 10.366 -2.734 -2.101 1.00 0.00 O ATOM 188 CB THR A 191 7.836 -4.814 -1.582 1.00 0.00 C ATOM 189 OG1 THR A 191 8.872 -5.400 -2.366 1.00 0.00 O ATOM 190 CG2 THR A 191 6.810 -4.341 -2.614 1.00 0.00 C ATOM 0 H THR A 191 6.575 -3.054 -0.373 1.00 0.00 H new ATOM 0 HA THR A 191 9.340 -4.056 -0.267 1.00 0.00 H new ATOM 0 HB THR A 191 7.345 -5.453 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 191 8.513 -6.164 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.351 -5.206 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.040 -3.750 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.307 -3.729 -3.367 1.00 0.00 H new ATOM 198 N THR A 192 8.357 -1.715 -2.292 1.00 0.00 N ATOM 199 CA THR A 192 8.836 -0.695 -3.209 1.00 0.00 C ATOM 200 C THR A 192 9.543 0.423 -2.440 1.00 0.00 C ATOM 201 O THR A 192 10.114 1.331 -3.043 1.00 0.00 O ATOM 202 CB THR A 192 7.646 -0.206 -4.036 1.00 0.00 C ATOM 203 OG1 THR A 192 7.054 -1.402 -4.536 1.00 0.00 O ATOM 204 CG2 THR A 192 8.078 0.551 -5.293 1.00 0.00 C ATOM 0 H THR A 192 7.367 -1.645 -2.056 1.00 0.00 H new ATOM 0 HA THR A 192 9.582 -1.097 -3.894 1.00 0.00 H new ATOM 0 HB THR A 192 7.019 0.440 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.423 -1.756 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.195 0.876 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 192 8.669 1.422 -5.008 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.678 -0.104 -5.924 1.00 0.00 H new ATOM 212 N THR A 193 9.482 0.321 -1.120 1.00 0.00 N ATOM 213 CA THR A 193 10.108 1.314 -0.264 1.00 0.00 C ATOM 214 C THR A 193 9.917 2.717 -0.842 1.00 0.00 C ATOM 215 O THR A 193 10.882 3.463 -1.003 1.00 0.00 O ATOM 216 CB THR A 193 11.577 0.924 -0.086 1.00 0.00 C ATOM 217 OG1 THR A 193 12.111 0.976 -1.407 1.00 0.00 O ATOM 218 CG2 THR A 193 11.750 -0.538 0.328 1.00 0.00 C ATOM 0 H THR A 193 9.009 -0.434 -0.623 1.00 0.00 H new ATOM 0 HA THR A 193 9.640 1.338 0.720 1.00 0.00 H new ATOM 0 HB THR A 193 12.035 1.569 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.482 1.442 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.811 -0.761 0.440 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.241 -0.710 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.322 -1.186 -0.437 1.00 0.00 H new ATOM 226 N LYS A 194 8.665 3.033 -1.140 1.00 0.00 N ATOM 227 CA LYS A 194 8.335 4.334 -1.698 1.00 0.00 C ATOM 228 C LYS A 194 8.264 5.365 -0.570 1.00 0.00 C ATOM 229 O LYS A 194 8.373 6.565 -0.814 1.00 0.00 O ATOM 230 CB LYS A 194 7.057 4.249 -2.535 1.00 0.00 C ATOM 231 CG LYS A 194 6.991 5.388 -3.553 1.00 0.00 C ATOM 232 CD LYS A 194 7.762 5.031 -4.825 1.00 0.00 C ATOM 233 CE LYS A 194 8.913 6.011 -5.063 1.00 0.00 C ATOM 234 NZ LYS A 194 10.114 5.293 -5.547 1.00 0.00 N ATOM 0 H LYS A 194 7.868 2.411 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 194 9.116 4.664 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 194 7.021 3.291 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.186 4.291 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 194 5.951 5.599 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.405 6.296 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 194 8.154 4.017 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 194 7.086 5.044 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 194 8.613 6.763 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 194 9.146 6.539 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 10.885 5.973 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 10.409 4.592 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 9.893 4.809 -6.441 1.00 0.00 H new ATOM 248 N GLY A 195 8.084 4.858 0.641 1.00 0.00 N ATOM 249 CA GLY A 195 7.998 5.720 1.808 1.00 0.00 C ATOM 250 C GLY A 195 8.764 5.123 2.988 1.00 0.00 C ATOM 251 O GLY A 195 9.752 4.415 2.798 1.00 0.00 O ATOM 0 H GLY A 195 7.995 3.861 0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.402 6.704 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 195 6.953 5.862 2.083 1.00 0.00 H new TER 255 GLY A 195