USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=7 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 Set 1.1: A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 194 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.084) USER MOD Single : A 188 THR OG1 : rot 80:sc= 0.332 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 81:sc= 1.02 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.434 0.543 -1.620 1.00 0.00 N ATOM 2 CA VAL A 180 -10.275 -0.896 -1.754 1.00 0.00 C ATOM 3 C VAL A 180 -8.956 -1.196 -2.468 1.00 0.00 C ATOM 4 O VAL A 180 -8.648 -2.352 -2.750 1.00 0.00 O ATOM 5 CB VAL A 180 -11.490 -1.492 -2.468 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.289 -1.494 -3.984 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.792 -2.901 -1.952 1.00 0.00 C ATOM 0 HA VAL A 180 -10.227 -1.367 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 180 -12.352 -0.862 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -12.167 -1.923 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -11.146 -0.472 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -10.411 -2.089 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.660 -3.302 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.931 -3.546 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.000 -2.860 -0.883 1.00 0.00 H new ATOM 17 N ASN A 181 -8.212 -0.134 -2.739 1.00 0.00 N ATOM 18 CA ASN A 181 -6.932 -0.268 -3.414 1.00 0.00 C ATOM 19 C ASN A 181 -5.895 0.611 -2.713 1.00 0.00 C ATOM 20 O ASN A 181 -4.832 0.885 -3.268 1.00 0.00 O ATOM 21 CB ASN A 181 -7.030 0.185 -4.872 1.00 0.00 C ATOM 22 CG ASN A 181 -7.544 1.623 -4.966 1.00 0.00 C ATOM 23 OD1 ASN A 181 -8.722 1.899 -4.810 1.00 0.00 O ATOM 24 ND2 ASN A 181 -6.599 2.520 -5.230 1.00 0.00 N ATOM 0 H ASN A 181 -8.471 0.824 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.641 -1.318 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.051 0.113 -5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.698 -0.480 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -6.842 3.507 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.631 2.221 -5.349 1.00 0.00 H new ATOM 31 N ILE A 182 -6.241 1.030 -1.504 1.00 0.00 N ATOM 32 CA ILE A 182 -5.353 1.872 -0.722 1.00 0.00 C ATOM 33 C ILE A 182 -4.334 0.993 0.006 1.00 0.00 C ATOM 34 O ILE A 182 -3.127 1.204 -0.115 1.00 0.00 O ATOM 35 CB ILE A 182 -6.158 2.779 0.209 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.765 3.954 -0.561 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.307 3.247 1.391 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.271 3.765 -0.755 1.00 0.00 C ATOM 0 H ILE A 182 -7.124 0.802 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.790 2.541 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 182 -6.986 2.200 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.578 4.882 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.279 4.047 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.904 3.891 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.964 2.381 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.445 3.803 1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.676 4.614 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.453 2.849 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.758 3.697 0.218 1.00 0.00 H new ATOM 50 N THR A 183 -4.854 0.027 0.747 1.00 0.00 N ATOM 51 CA THR A 183 -4.005 -0.884 1.494 1.00 0.00 C ATOM 52 C THR A 183 -3.018 -1.582 0.557 1.00 0.00 C ATOM 53 O THR A 183 -1.869 -1.820 0.926 1.00 0.00 O ATOM 54 CB THR A 183 -4.909 -1.855 2.257 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.245 -1.152 3.451 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.155 -3.090 2.753 1.00 0.00 C ATOM 0 H THR A 183 -5.854 -0.145 0.846 1.00 0.00 H new ATOM 0 HA THR A 183 -3.393 -0.349 2.220 1.00 0.00 H new ATOM 0 HB THR A 183 -5.732 -2.166 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.831 -1.709 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.842 -3.746 3.287 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.732 -3.624 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.353 -2.782 3.423 1.00 0.00 H new ATOM 64 N ILE A 184 -3.501 -1.891 -0.636 1.00 0.00 N ATOM 65 CA ILE A 184 -2.676 -2.558 -1.629 1.00 0.00 C ATOM 66 C ILE A 184 -1.521 -1.637 -2.026 1.00 0.00 C ATOM 67 O ILE A 184 -0.356 -1.963 -1.800 1.00 0.00 O ATOM 68 CB ILE A 184 -3.529 -3.020 -2.812 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.573 -4.046 -2.368 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.650 -3.552 -3.947 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.991 -3.539 -2.643 1.00 0.00 C ATOM 0 H ILE A 184 -4.455 -1.692 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.234 -3.463 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.070 -2.157 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.411 -4.987 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.456 -4.252 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.281 -3.874 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.978 -2.764 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.064 -4.398 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.714 -4.287 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.158 -2.611 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.112 -3.357 -3.711 1.00 0.00 H new ATOM 83 N LYS A 185 -1.883 -0.505 -2.612 1.00 0.00 N ATOM 84 CA LYS A 185 -0.891 0.465 -3.043 1.00 0.00 C ATOM 85 C LYS A 185 0.082 0.739 -1.894 1.00 0.00 C ATOM 86 O LYS A 185 1.247 1.057 -2.126 1.00 0.00 O ATOM 87 CB LYS A 185 -1.572 1.724 -3.584 1.00 0.00 C ATOM 88 CG LYS A 185 -0.834 2.262 -4.812 1.00 0.00 C ATOM 89 CD LYS A 185 -0.277 3.662 -4.545 1.00 0.00 C ATOM 90 CE LYS A 185 1.008 3.902 -5.341 1.00 0.00 C ATOM 91 NZ LYS A 185 2.163 4.046 -4.428 1.00 0.00 N ATOM 0 H LYS A 185 -2.850 -0.238 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.304 0.066 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.606 1.498 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.600 2.489 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.020 1.587 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.513 2.293 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.021 4.411 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.077 3.781 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.179 3.071 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 185 0.904 4.800 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 3.027 4.208 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 2.004 4.853 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 2.271 3.178 -3.866 1.00 0.00 H new ATOM 105 N GLN A 186 -0.433 0.604 -0.681 1.00 0.00 N ATOM 106 CA GLN A 186 0.377 0.832 0.504 1.00 0.00 C ATOM 107 C GLN A 186 1.331 -0.342 0.730 1.00 0.00 C ATOM 108 O GLN A 186 2.537 -0.147 0.870 1.00 0.00 O ATOM 109 CB GLN A 186 -0.506 1.065 1.733 1.00 0.00 C ATOM 110 CG GLN A 186 -0.397 2.513 2.218 1.00 0.00 C ATOM 111 CD GLN A 186 0.458 2.603 3.485 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.628 2.946 3.451 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.191 2.278 4.600 1.00 0.00 N ATOM 0 H GLN A 186 -1.400 0.340 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 186 0.972 1.732 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.543 0.836 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.210 0.386 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.041 3.131 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.392 2.910 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.171 1.999 4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.292 2.307 5.498 1.00 0.00 H new ATOM 122 N HIS A 187 0.755 -1.534 0.757 1.00 0.00 N ATOM 123 CA HIS A 187 1.539 -2.740 0.962 1.00 0.00 C ATOM 124 C HIS A 187 2.644 -2.820 -0.092 1.00 0.00 C ATOM 125 O HIS A 187 3.625 -3.542 0.082 1.00 0.00 O ATOM 126 CB HIS A 187 0.641 -3.978 0.975 1.00 0.00 C ATOM 127 CG HIS A 187 0.964 -4.961 2.074 1.00 0.00 C ATOM 128 ND1 HIS A 187 0.070 -5.927 2.503 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.091 -5.118 2.827 1.00 0.00 C ATOM 130 CE1 HIS A 187 0.643 -6.627 3.471 1.00 0.00 C ATOM 131 NE2 HIS A 187 1.895 -6.124 3.670 1.00 0.00 N ATOM 0 H HIS A 187 -0.246 -1.691 0.640 1.00 0.00 H new ATOM 0 HA HIS A 187 2.020 -2.702 1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.396 -3.660 1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.724 -4.484 0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.990 -4.524 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 187 0.197 -7.451 4.008 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.570 -6.465 4.354 1.00 0.00 H new ATOM 140 N THR A 188 2.449 -2.067 -1.165 1.00 0.00 N ATOM 141 CA THR A 188 3.417 -2.043 -2.249 1.00 0.00 C ATOM 142 C THR A 188 4.558 -1.076 -1.925 1.00 0.00 C ATOM 143 O THR A 188 5.642 -1.176 -2.496 1.00 0.00 O ATOM 144 CB THR A 188 2.673 -1.693 -3.539 1.00 0.00 C ATOM 145 OG1 THR A 188 1.804 -2.802 -3.751 1.00 0.00 O ATOM 146 CG2 THR A 188 3.591 -1.700 -4.764 1.00 0.00 C ATOM 0 H THR A 188 1.635 -1.469 -1.307 1.00 0.00 H new ATOM 0 HA THR A 188 3.887 -3.018 -2.381 1.00 0.00 H new ATOM 0 HB THR A 188 2.211 -0.711 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 188 1.012 -2.710 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.014 -1.445 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.387 -0.968 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.027 -2.692 -4.886 1.00 0.00 H new ATOM 154 N VAL A 189 4.273 -0.163 -1.007 1.00 0.00 N ATOM 155 CA VAL A 189 5.263 0.820 -0.599 1.00 0.00 C ATOM 156 C VAL A 189 6.302 0.149 0.301 1.00 0.00 C ATOM 157 O VAL A 189 7.436 0.614 0.399 1.00 0.00 O ATOM 158 CB VAL A 189 4.572 2.011 0.069 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.583 2.882 0.818 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.790 2.837 -0.954 1.00 0.00 C ATOM 0 H VAL A 189 3.372 -0.083 -0.535 1.00 0.00 H new ATOM 0 HA VAL A 189 5.792 1.213 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 189 3.861 1.620 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.066 3.721 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.076 2.288 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.328 3.259 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.309 3.677 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.472 3.212 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.031 2.211 -1.423 1.00 0.00 H new ATOM 170 N THR A 190 5.877 -0.932 0.936 1.00 0.00 N ATOM 171 CA THR A 190 6.756 -1.673 1.826 1.00 0.00 C ATOM 172 C THR A 190 7.895 -2.318 1.034 1.00 0.00 C ATOM 173 O THR A 190 9.055 -2.244 1.436 1.00 0.00 O ATOM 174 CB THR A 190 5.906 -2.682 2.600 1.00 0.00 C ATOM 175 OG1 THR A 190 5.099 -1.874 3.453 1.00 0.00 O ATOM 176 CG2 THR A 190 6.737 -3.528 3.566 1.00 0.00 C ATOM 0 H THR A 190 4.935 -1.314 0.853 1.00 0.00 H new ATOM 0 HA THR A 190 7.237 -1.012 2.547 1.00 0.00 H new ATOM 0 HB THR A 190 5.389 -3.336 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.515 -2.448 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.086 -4.228 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.491 -4.083 3.008 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.228 -2.877 4.290 1.00 0.00 H new ATOM 184 N THR A 191 7.524 -2.936 -0.078 1.00 0.00 N ATOM 185 CA THR A 191 8.500 -3.594 -0.930 1.00 0.00 C ATOM 186 C THR A 191 9.098 -2.597 -1.924 1.00 0.00 C ATOM 187 O THR A 191 10.275 -2.690 -2.270 1.00 0.00 O ATOM 188 CB THR A 191 7.814 -4.785 -1.602 1.00 0.00 C ATOM 189 OG1 THR A 191 8.855 -5.408 -2.350 1.00 0.00 O ATOM 190 CG2 THR A 191 6.799 -4.354 -2.663 1.00 0.00 C ATOM 0 H THR A 191 6.561 -2.995 -0.409 1.00 0.00 H new ATOM 0 HA THR A 191 9.342 -3.971 -0.349 1.00 0.00 H new ATOM 0 HB THR A 191 7.314 -5.390 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 191 8.498 -6.192 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 191 6.341 -5.237 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.027 -3.740 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.305 -3.778 -3.438 1.00 0.00 H new ATOM 198 N THR A 192 8.260 -1.665 -2.356 1.00 0.00 N ATOM 199 CA THR A 192 8.692 -0.652 -3.305 1.00 0.00 C ATOM 200 C THR A 192 9.398 0.492 -2.576 1.00 0.00 C ATOM 201 O THR A 192 9.937 1.398 -3.211 1.00 0.00 O ATOM 202 CB THR A 192 7.467 -0.201 -4.104 1.00 0.00 C ATOM 203 OG1 THR A 192 6.873 -1.418 -4.546 1.00 0.00 O ATOM 204 CG2 THR A 192 7.847 0.521 -5.398 1.00 0.00 C ATOM 0 H THR A 192 7.285 -1.590 -2.066 1.00 0.00 H new ATOM 0 HA THR A 192 9.425 -1.051 -4.006 1.00 0.00 H new ATOM 0 HB THR A 192 6.853 0.457 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.341 -1.805 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.942 0.820 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 192 8.438 1.406 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.432 -0.148 -6.029 1.00 0.00 H new ATOM 212 N THR A 193 9.373 0.416 -1.254 1.00 0.00 N ATOM 213 CA THR A 193 10.004 1.434 -0.433 1.00 0.00 C ATOM 214 C THR A 193 9.809 2.818 -1.056 1.00 0.00 C ATOM 215 O THR A 193 10.768 3.574 -1.210 1.00 0.00 O ATOM 216 CB THR A 193 11.474 1.051 -0.251 1.00 0.00 C ATOM 217 OG1 THR A 193 11.465 -0.373 -0.268 1.00 0.00 O ATOM 218 CG2 THR A 193 12.004 1.404 1.141 1.00 0.00 C ATOM 0 H THR A 193 8.925 -0.336 -0.731 1.00 0.00 H new ATOM 0 HA THR A 193 9.543 1.488 0.553 1.00 0.00 H new ATOM 0 HB THR A 193 12.077 1.555 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 193 12.380 -0.707 -0.158 1.00 0.00 H new ATOM 0 HG21 THR A 193 13.051 1.111 1.217 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.915 2.478 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.424 0.874 1.896 1.00 0.00 H new ATOM 226 N LYS A 194 8.563 3.108 -1.398 1.00 0.00 N ATOM 227 CA LYS A 194 8.230 4.388 -2.001 1.00 0.00 C ATOM 228 C LYS A 194 8.514 5.508 -0.998 1.00 0.00 C ATOM 229 O LYS A 194 8.926 6.601 -1.384 1.00 0.00 O ATOM 230 CB LYS A 194 6.791 4.377 -2.519 1.00 0.00 C ATOM 231 CG LYS A 194 6.567 5.498 -3.537 1.00 0.00 C ATOM 232 CD LYS A 194 5.085 5.628 -3.893 1.00 0.00 C ATOM 233 CE LYS A 194 4.583 7.052 -3.642 1.00 0.00 C ATOM 234 NZ LYS A 194 3.144 7.160 -3.971 1.00 0.00 N ATOM 0 H LYS A 194 7.771 2.479 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 194 8.857 4.574 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.574 3.413 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.099 4.495 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 194 6.931 6.441 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.145 5.296 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.934 5.365 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.502 4.923 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 194 4.745 7.322 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 194 5.154 7.757 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 2.875 8.163 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 2.962 6.702 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 2.583 6.691 -3.232 1.00 0.00 H new ATOM 248 N GLY A 195 8.282 5.198 0.269 1.00 0.00 N ATOM 249 CA GLY A 195 8.507 6.165 1.329 1.00 0.00 C ATOM 250 C GLY A 195 7.326 6.199 2.302 1.00 0.00 C ATOM 251 O GLY A 195 7.424 5.700 3.421 1.00 0.00 O ATOM 0 H GLY A 195 7.940 4.290 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 195 9.420 5.912 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.655 7.155 0.897 1.00 0.00 H new TER 255 GLY A 195