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= -0.187 K(o=-0.19,f=-1.5) 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= -0.171 X(o=-0.17,f=-0.026) USER MOD Single : A 188 THR OG1 : rot 80:sc= 0.323 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 100:sc= 0.43 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 -10.637 -1.266 -5.275 1.00 0.00 N ATOM 2 CA VAL A 180 -9.959 -1.459 -4.005 1.00 0.00 C ATOM 3 C VAL A 180 -8.452 -1.570 -4.248 1.00 0.00 C ATOM 4 O VAL A 180 -7.981 -2.557 -4.810 1.00 0.00 O ATOM 5 CB VAL A 180 -10.539 -2.676 -3.281 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.996 -2.435 -2.884 1.00 0.00 C ATOM 7 CG2 VAL A 180 -10.404 -3.937 -4.137 1.00 0.00 C ATOM 0 HA VAL A 180 -10.121 -0.602 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 180 -9.965 -2.828 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -12.384 -3.315 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -12.054 -1.573 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.590 -2.245 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -10.824 -4.788 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.941 -3.799 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -9.351 -4.124 -4.346 1.00 0.00 H new ATOM 17 N ASN A 181 -7.737 -0.541 -3.813 1.00 0.00 N ATOM 18 CA ASN A 181 -6.294 -0.511 -3.976 1.00 0.00 C ATOM 19 C ASN A 181 -5.686 0.428 -2.933 1.00 0.00 C ATOM 20 O ASN A 181 -4.632 1.018 -3.162 1.00 0.00 O ATOM 21 CB ASN A 181 -5.907 0.009 -5.363 1.00 0.00 C ATOM 22 CG ASN A 181 -6.149 1.516 -5.470 1.00 0.00 C ATOM 23 OD1 ASN A 181 -7.186 2.034 -5.087 1.00 0.00 O ATOM 24 ND2 ASN A 181 -5.138 2.190 -6.010 1.00 0.00 N ATOM 0 H ASN A 181 -8.131 0.277 -3.348 1.00 0.00 H new ATOM 0 HA ASN A 181 -5.920 -1.528 -3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -4.857 -0.209 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.487 -0.511 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -5.203 3.201 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -4.298 1.696 -6.310 1.00 0.00 H new ATOM 31 N ILE A 182 -6.378 0.538 -1.808 1.00 0.00 N ATOM 32 CA ILE A 182 -5.920 1.395 -0.728 1.00 0.00 C ATOM 33 C ILE A 182 -4.696 0.763 -0.065 1.00 0.00 C ATOM 34 O ILE A 182 -3.561 1.080 -0.419 1.00 0.00 O ATOM 35 CB ILE A 182 -7.064 1.689 0.246 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.946 2.827 -0.271 1.00 0.00 C ATOM 37 CG2 ILE A 182 -6.529 1.971 1.651 1.00 0.00 C ATOM 38 CD1 ILE A 182 -7.441 4.182 0.228 1.00 0.00 C ATOM 0 H ILE A 182 -7.253 0.048 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.607 2.364 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.692 0.801 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.956 2.818 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -8.974 2.674 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -7.362 2.177 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.978 1.102 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.865 2.835 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.086 4.974 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -7.455 4.197 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.422 4.343 -0.124 1.00 0.00 H new ATOM 50 N THR A 183 -4.966 -0.120 0.885 1.00 0.00 N ATOM 51 CA THR A 183 -3.900 -0.799 1.601 1.00 0.00 C ATOM 52 C THR A 183 -2.943 -1.475 0.617 1.00 0.00 C ATOM 53 O THR A 183 -1.799 -1.770 0.960 1.00 0.00 O ATOM 54 CB THR A 183 -4.542 -1.774 2.591 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.490 -1.087 3.838 1.00 0.00 O ATOM 56 CG2 THR A 183 -3.689 -3.024 2.819 1.00 0.00 C ATOM 0 H THR A 183 -5.908 -0.381 1.176 1.00 0.00 H new ATOM 0 HA THR A 183 -3.291 -0.093 2.166 1.00 0.00 H new ATOM 0 HB THR A 183 -5.526 -2.068 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 183 -4.888 -1.647 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.190 -3.682 3.529 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.552 -3.548 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 183 -2.717 -2.733 3.217 1.00 0.00 H new ATOM 64 N ILE A 184 -3.446 -1.701 -0.587 1.00 0.00 N ATOM 65 CA ILE A 184 -2.650 -2.337 -1.624 1.00 0.00 C ATOM 66 C ILE A 184 -1.485 -1.420 -2.000 1.00 0.00 C ATOM 67 O ILE A 184 -0.325 -1.761 -1.776 1.00 0.00 O ATOM 68 CB ILE A 184 -3.532 -2.729 -2.811 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.469 -3.880 -2.442 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.683 -3.055 -4.042 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.891 -3.370 -2.191 1.00 0.00 C ATOM 0 H ILE A 184 -4.395 -1.455 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.218 -3.268 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.157 -1.874 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.479 -4.617 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.097 -4.385 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.335 -3.330 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.093 -2.181 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.015 -3.886 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.537 -4.208 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.880 -2.651 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.269 -2.887 -3.092 1.00 0.00 H new ATOM 83 N LYS A 185 -1.834 -0.273 -2.566 1.00 0.00 N ATOM 84 CA LYS A 185 -0.831 0.696 -2.975 1.00 0.00 C ATOM 85 C LYS A 185 0.161 0.912 -1.830 1.00 0.00 C ATOM 86 O LYS A 185 1.329 1.215 -2.064 1.00 0.00 O ATOM 87 CB LYS A 185 -1.498 1.983 -3.462 1.00 0.00 C ATOM 88 CG LYS A 185 -0.569 2.762 -4.395 1.00 0.00 C ATOM 89 CD LYS A 185 -0.960 2.551 -5.859 1.00 0.00 C ATOM 90 CE LYS A 185 0.268 2.230 -6.714 1.00 0.00 C ATOM 91 NZ LYS A 185 0.098 2.760 -8.086 1.00 0.00 N ATOM 0 H LYS A 185 -2.797 0.007 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.260 0.319 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.424 1.742 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.766 2.604 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.612 3.824 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 185 0.461 2.441 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.682 1.737 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -1.449 3.447 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.159 2.663 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 185 0.421 1.151 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.940 2.533 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.740 2.328 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -0.025 3.792 -8.047 1.00 0.00 H new ATOM 105 N GLN A 186 -0.342 0.746 -0.615 1.00 0.00 N ATOM 106 CA GLN A 186 0.484 0.919 0.567 1.00 0.00 C ATOM 107 C GLN A 186 1.419 -0.280 0.741 1.00 0.00 C ATOM 108 O GLN A 186 2.630 -0.113 0.882 1.00 0.00 O ATOM 109 CB GLN A 186 -0.378 1.127 1.814 1.00 0.00 C ATOM 110 CG GLN A 186 -0.233 2.554 2.348 1.00 0.00 C ATOM 111 CD GLN A 186 0.590 2.576 3.637 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.810 2.544 3.627 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.142 2.632 4.746 1.00 0.00 N ATOM 0 H GLN A 186 -1.312 0.493 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 186 1.092 1.814 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.423 0.928 1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.086 0.415 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.246 3.181 1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.220 2.978 2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.160 2.656 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.314 2.651 5.658 1.00 0.00 H new ATOM 122 N HIS A 187 0.821 -1.462 0.728 1.00 0.00 N ATOM 123 CA HIS A 187 1.584 -2.689 0.882 1.00 0.00 C ATOM 124 C HIS A 187 2.667 -2.760 -0.196 1.00 0.00 C ATOM 125 O HIS A 187 3.628 -3.516 -0.068 1.00 0.00 O ATOM 126 CB HIS A 187 0.660 -3.909 0.876 1.00 0.00 C ATOM 127 CG HIS A 187 1.386 -5.229 0.979 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.015 -6.347 0.253 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.463 -5.598 1.731 1.00 0.00 C ATOM 130 CE1 HIS A 187 1.838 -7.338 0.561 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.734 -6.873 1.478 1.00 0.00 N ATOM 0 H HIS A 187 -0.184 -1.596 0.613 1.00 0.00 H new ATOM 0 HA HIS A 187 2.084 -2.690 1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.041 -3.825 1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.070 -3.901 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 187 3.003 -4.961 2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 187 1.805 -8.339 0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.488 -7.415 1.900 1.00 0.00 H new ATOM 140 N THR A 188 2.473 -1.961 -1.236 1.00 0.00 N ATOM 141 CA THR A 188 3.421 -1.923 -2.337 1.00 0.00 C ATOM 142 C THR A 188 4.595 -1.004 -1.999 1.00 0.00 C ATOM 143 O THR A 188 5.665 -1.111 -2.596 1.00 0.00 O ATOM 144 CB THR A 188 2.664 -1.504 -3.599 1.00 0.00 C ATOM 145 OG1 THR A 188 1.754 -2.577 -3.830 1.00 0.00 O ATOM 146 CG2 THR A 188 3.555 -1.498 -4.842 1.00 0.00 C ATOM 0 H THR A 188 1.674 -1.336 -1.339 1.00 0.00 H new ATOM 0 HA THR A 188 3.859 -2.905 -2.515 1.00 0.00 H new ATOM 0 HB THR A 188 2.238 -0.511 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.975 -2.477 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.968 -1.194 -5.709 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.378 -0.798 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.955 -2.498 -5.008 1.00 0.00 H new ATOM 154 N VAL A 189 4.355 -0.118 -1.042 1.00 0.00 N ATOM 155 CA VAL A 189 5.379 0.821 -0.618 1.00 0.00 C ATOM 156 C VAL A 189 6.414 0.088 0.237 1.00 0.00 C ATOM 157 O VAL A 189 7.592 0.440 0.230 1.00 0.00 O ATOM 158 CB VAL A 189 4.736 2.005 0.106 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.774 2.780 0.919 1.00 0.00 C ATOM 160 CG2 VAL A 189 4.013 2.924 -0.881 1.00 0.00 C ATOM 0 H VAL A 189 3.466 -0.031 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 189 5.902 1.231 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 189 3.994 1.611 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.290 3.616 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.223 2.119 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.550 3.158 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.565 3.758 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.726 3.307 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.232 2.363 -1.395 1.00 0.00 H new ATOM 170 N THR A 190 5.935 -0.918 0.955 1.00 0.00 N ATOM 171 CA THR A 190 6.804 -1.704 1.814 1.00 0.00 C ATOM 172 C THR A 190 7.886 -2.401 0.986 1.00 0.00 C ATOM 173 O THR A 190 9.076 -2.252 1.262 1.00 0.00 O ATOM 174 CB THR A 190 5.930 -2.676 2.610 1.00 0.00 C ATOM 175 OG1 THR A 190 5.292 -1.851 3.582 1.00 0.00 O ATOM 176 CG2 THR A 190 6.755 -3.660 3.442 1.00 0.00 C ATOM 0 H THR A 190 4.957 -1.206 0.959 1.00 0.00 H new ATOM 0 HA THR A 190 7.338 -1.069 2.521 1.00 0.00 H new ATOM 0 HB THR A 190 5.287 -3.230 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.704 -2.400 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.086 -4.326 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.394 -4.247 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.373 -3.108 4.150 1.00 0.00 H new ATOM 184 N THR A 191 7.435 -3.145 -0.013 1.00 0.00 N ATOM 185 CA THR A 191 8.348 -3.863 -0.884 1.00 0.00 C ATOM 186 C THR A 191 9.138 -2.884 -1.754 1.00 0.00 C ATOM 187 O THR A 191 10.339 -3.059 -1.958 1.00 0.00 O ATOM 188 CB THR A 191 7.534 -4.875 -1.694 1.00 0.00 C ATOM 189 OG1 THR A 191 8.496 -5.498 -2.539 1.00 0.00 O ATOM 190 CG2 THR A 191 6.565 -4.201 -2.666 1.00 0.00 C ATOM 0 H THR A 191 6.448 -3.266 -0.238 1.00 0.00 H new ATOM 0 HA THR A 191 9.093 -4.411 -0.308 1.00 0.00 H new ATOM 0 HB THR A 191 6.977 -5.520 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 191 8.054 -6.170 -3.098 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.012 -4.963 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 191 5.866 -3.577 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.125 -3.582 -3.367 1.00 0.00 H new ATOM 198 N THR A 192 8.433 -1.875 -2.243 1.00 0.00 N ATOM 199 CA THR A 192 9.053 -0.867 -3.086 1.00 0.00 C ATOM 200 C THR A 192 9.775 0.175 -2.229 1.00 0.00 C ATOM 201 O THR A 192 10.289 1.164 -2.749 1.00 0.00 O ATOM 202 CB THR A 192 7.968 -0.269 -3.983 1.00 0.00 C ATOM 203 OG1 THR A 192 7.461 -1.386 -4.707 1.00 0.00 O ATOM 204 CG2 THR A 192 8.543 0.647 -5.066 1.00 0.00 C ATOM 0 H THR A 192 7.438 -1.734 -2.071 1.00 0.00 H new ATOM 0 HA THR A 192 9.820 -1.304 -3.726 1.00 0.00 H new ATOM 0 HB THR A 192 7.260 0.291 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.628 -1.694 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.731 1.045 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 192 9.082 1.470 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 192 9.226 0.079 -5.698 1.00 0.00 H new ATOM 212 N THR A 193 9.792 -0.083 -0.929 1.00 0.00 N ATOM 213 CA THR A 193 10.443 0.819 0.005 1.00 0.00 C ATOM 214 C THR A 193 10.220 2.274 -0.416 1.00 0.00 C ATOM 215 O THR A 193 11.166 3.056 -0.484 1.00 0.00 O ATOM 216 CB THR A 193 11.920 0.430 0.087 1.00 0.00 C ATOM 217 OG1 THR A 193 11.920 -0.978 -0.127 1.00 0.00 O ATOM 218 CG2 THR A 193 12.490 0.595 1.497 1.00 0.00 C ATOM 0 H THR A 193 9.365 -0.904 -0.501 1.00 0.00 H new ATOM 0 HA THR A 193 10.014 0.732 1.003 1.00 0.00 H new ATOM 0 HB THR A 193 12.496 1.038 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 193 12.840 -1.314 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 193 13.541 0.306 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 193 12.399 1.636 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.937 -0.039 2.190 1.00 0.00 H new ATOM 226 N LYS A 194 8.962 2.591 -0.686 1.00 0.00 N ATOM 227 CA LYS A 194 8.601 3.937 -1.098 1.00 0.00 C ATOM 228 C LYS A 194 8.367 4.801 0.143 1.00 0.00 C ATOM 229 O LYS A 194 7.230 5.157 0.450 1.00 0.00 O ATOM 230 CB LYS A 194 7.411 3.904 -2.058 1.00 0.00 C ATOM 231 CG LYS A 194 7.549 4.976 -3.141 1.00 0.00 C ATOM 232 CD LYS A 194 6.746 6.227 -2.779 1.00 0.00 C ATOM 233 CE LYS A 194 5.296 6.105 -3.254 1.00 0.00 C ATOM 234 NZ LYS A 194 4.394 6.870 -2.365 1.00 0.00 N ATOM 0 H LYS A 194 8.180 1.939 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 194 9.417 4.395 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 194 7.341 2.920 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.487 4.061 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 194 8.600 5.238 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.202 4.580 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 194 6.767 6.377 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 194 7.208 7.104 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 194 5.209 6.475 -4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 194 4.999 5.056 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 3.414 6.777 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 4.464 6.499 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.668 7.873 -2.372 1.00 0.00 H new ATOM 248 N GLY A 195 9.460 5.112 0.823 1.00 0.00 N ATOM 249 CA GLY A 195 9.389 5.926 2.025 1.00 0.00 C ATOM 250 C GLY A 195 10.114 5.251 3.191 1.00 0.00 C ATOM 251 O GLY A 195 9.501 4.526 3.972 1.00 0.00 O ATOM 0 H GLY A 195 10.401 4.815 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 195 9.833 6.903 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.346 6.097 2.291 1.00 0.00 H new TER 255 GLY A 195