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= -0.827 K(o=-0.83,f=-1.6) 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= -0.0686 X(o=-0.069,f=-0.069) USER MOD Single : A 188 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 3:sc= 0.735! USER MOD Single : A 192 THR OG1 : rot 79:sc= 0.788 USER MOD Single : A 193 THR OG1 : rot -71:sc= 1.13 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.882 -2.169 -2.978 1.00 0.00 N ATOM 2 CA VAL A 180 -9.969 -1.198 -2.400 1.00 0.00 C ATOM 3 C VAL A 180 -8.580 -1.384 -3.012 1.00 0.00 C ATOM 4 O VAL A 180 -8.139 -2.511 -3.231 1.00 0.00 O ATOM 5 CB VAL A 180 -9.972 -1.318 -0.875 1.00 0.00 C ATOM 6 CG1 VAL A 180 -8.857 -0.474 -0.256 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.336 -0.934 -0.297 1.00 0.00 C ATOM 0 HA VAL A 180 -10.294 -0.184 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 180 -9.782 -2.361 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -8.882 -0.577 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -7.892 -0.815 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.001 0.573 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.311 -1.028 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.568 0.096 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.102 -1.596 -0.701 1.00 0.00 H new ATOM 17 N ASN A 181 -7.926 -0.260 -3.271 1.00 0.00 N ATOM 18 CA ASN A 181 -6.595 -0.285 -3.853 1.00 0.00 C ATOM 19 C ASN A 181 -5.675 0.639 -3.053 1.00 0.00 C ATOM 20 O ASN A 181 -4.593 0.997 -3.516 1.00 0.00 O ATOM 21 CB ASN A 181 -6.618 0.209 -5.301 1.00 0.00 C ATOM 22 CG ASN A 181 -5.241 0.064 -5.952 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.476 -0.838 -5.653 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.968 1.001 -6.855 1.00 0.00 N ATOM 0 H ASN A 181 -8.294 0.674 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.236 -1.314 -3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.355 -0.357 -5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.929 1.253 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.073 0.992 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.653 1.729 -7.058 1.00 0.00 H new ATOM 31 N ILE A 182 -6.140 1.000 -1.866 1.00 0.00 N ATOM 32 CA ILE A 182 -5.373 1.876 -0.997 1.00 0.00 C ATOM 33 C ILE A 182 -4.381 1.041 -0.185 1.00 0.00 C ATOM 34 O ILE A 182 -3.179 1.307 -0.203 1.00 0.00 O ATOM 35 CB ILE A 182 -6.307 2.729 -0.136 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.848 3.921 -0.929 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.615 3.168 1.156 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.205 3.592 -1.555 1.00 0.00 C ATOM 0 H ILE A 182 -7.038 0.702 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.789 2.581 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.162 2.116 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.946 4.785 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.139 4.194 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.301 3.773 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.320 2.288 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.730 3.756 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.567 4.456 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.098 2.743 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.918 3.343 -0.769 1.00 0.00 H new ATOM 50 N THR A 183 -4.920 0.048 0.507 1.00 0.00 N ATOM 51 CA THR A 183 -4.097 -0.828 1.324 1.00 0.00 C ATOM 52 C THR A 183 -3.052 -1.536 0.460 1.00 0.00 C ATOM 53 O THR A 183 -1.904 -1.695 0.873 1.00 0.00 O ATOM 54 CB THR A 183 -5.025 -1.791 2.067 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.548 -1.011 3.138 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.261 -2.918 2.765 1.00 0.00 C ATOM 0 H THR A 183 -5.916 -0.169 0.519 1.00 0.00 H new ATOM 0 HA THR A 183 -3.531 -0.263 2.065 1.00 0.00 H new ATOM 0 HB THR A 183 -5.742 -2.218 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 183 -6.162 -1.558 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.966 -3.573 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.704 -3.493 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.568 -2.493 3.491 1.00 0.00 H new ATOM 64 N ILE A 184 -3.487 -1.943 -0.724 1.00 0.00 N ATOM 65 CA ILE A 184 -2.603 -2.631 -1.650 1.00 0.00 C ATOM 66 C ILE A 184 -1.435 -1.712 -2.012 1.00 0.00 C ATOM 67 O ILE A 184 -0.274 -2.089 -1.860 1.00 0.00 O ATOM 68 CB ILE A 184 -3.387 -3.136 -2.864 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.289 -4.311 -2.482 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.445 -3.487 -4.016 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.631 -3.818 -1.937 1.00 0.00 C ATOM 0 H ILE A 184 -4.440 -1.810 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.177 -3.519 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.035 -2.332 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.457 -4.944 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -3.792 -4.927 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.027 -3.843 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.881 -2.601 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.754 -4.267 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.253 -4.673 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.461 -3.206 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.136 -3.223 -2.698 1.00 0.00 H new ATOM 83 N LYS A 185 -1.782 -0.524 -2.484 1.00 0.00 N ATOM 84 CA LYS A 185 -0.777 0.453 -2.868 1.00 0.00 C ATOM 85 C LYS A 185 0.125 0.749 -1.669 1.00 0.00 C ATOM 86 O LYS A 185 1.287 1.116 -1.837 1.00 0.00 O ATOM 87 CB LYS A 185 -1.440 1.698 -3.462 1.00 0.00 C ATOM 88 CG LYS A 185 -0.416 2.565 -4.198 1.00 0.00 C ATOM 89 CD LYS A 185 -0.307 3.950 -3.556 1.00 0.00 C ATOM 90 CE LYS A 185 -1.446 4.859 -4.020 1.00 0.00 C ATOM 91 NZ LYS A 185 -1.863 5.767 -2.928 1.00 0.00 N ATOM 0 H LYS A 185 -2.746 -0.215 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.139 0.053 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.231 1.400 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.910 2.278 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.558 2.076 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.705 2.667 -5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.332 3.855 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.651 4.401 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.125 5.442 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -2.294 4.254 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -2.637 6.377 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -2.189 5.206 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -1.056 6.357 -2.640 1.00 0.00 H new ATOM 105 N GLN A 186 -0.444 0.578 -0.484 1.00 0.00 N ATOM 106 CA GLN A 186 0.295 0.822 0.743 1.00 0.00 C ATOM 107 C GLN A 186 1.288 -0.313 1.000 1.00 0.00 C ATOM 108 O GLN A 186 2.481 -0.072 1.176 1.00 0.00 O ATOM 109 CB GLN A 186 -0.656 0.999 1.929 1.00 0.00 C ATOM 110 CG GLN A 186 -0.630 2.441 2.442 1.00 0.00 C ATOM 111 CD GLN A 186 0.127 2.538 3.768 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.343 2.454 3.826 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.657 2.717 4.827 1.00 0.00 N ATOM 0 H GLN A 186 -1.408 0.273 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 186 0.856 1.749 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.670 0.734 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.373 0.318 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.157 3.086 1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.650 2.802 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.668 2.779 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -0.247 2.792 5.758 1.00 0.00 H new ATOM 122 N HIS A 187 0.758 -1.528 1.015 1.00 0.00 N ATOM 123 CA HIS A 187 1.582 -2.701 1.247 1.00 0.00 C ATOM 124 C HIS A 187 2.639 -2.812 0.146 1.00 0.00 C ATOM 125 O HIS A 187 3.608 -3.558 0.283 1.00 0.00 O ATOM 126 CB HIS A 187 0.718 -3.958 1.367 1.00 0.00 C ATOM 127 CG HIS A 187 1.507 -5.234 1.522 1.00 0.00 C ATOM 128 ND1 HIS A 187 2.031 -5.651 2.733 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.858 -6.182 0.604 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.665 -6.798 2.543 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.558 -7.125 1.223 1.00 0.00 N ATOM 0 H HIS A 187 -0.232 -1.724 0.870 1.00 0.00 H new ATOM 0 HA HIS A 187 2.106 -2.599 2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.053 -3.848 2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.087 -4.038 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 187 1.609 -6.167 -0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 187 3.177 -7.373 3.300 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.951 -7.957 0.784 1.00 0.00 H new ATOM 140 N THR A 188 2.417 -2.059 -0.921 1.00 0.00 N ATOM 141 CA THR A 188 3.338 -2.064 -2.045 1.00 0.00 C ATOM 142 C THR A 188 4.489 -1.086 -1.795 1.00 0.00 C ATOM 143 O THR A 188 5.547 -1.196 -2.412 1.00 0.00 O ATOM 144 CB THR A 188 2.540 -1.752 -3.312 1.00 0.00 C ATOM 145 OG1 THR A 188 1.606 -2.824 -3.407 1.00 0.00 O ATOM 146 CG2 THR A 188 3.383 -1.878 -4.581 1.00 0.00 C ATOM 0 H THR A 188 1.613 -1.441 -1.031 1.00 0.00 H new ATOM 0 HA THR A 188 3.804 -3.041 -2.170 1.00 0.00 H new ATOM 0 HB THR A 188 2.134 -0.743 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.792 -2.593 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.768 -1.646 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.220 -1.182 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.762 -2.896 -4.666 1.00 0.00 H new ATOM 154 N VAL A 189 4.242 -0.150 -0.890 1.00 0.00 N ATOM 155 CA VAL A 189 5.243 0.846 -0.551 1.00 0.00 C ATOM 156 C VAL A 189 6.323 0.202 0.320 1.00 0.00 C ATOM 157 O VAL A 189 7.408 0.759 0.484 1.00 0.00 O ATOM 158 CB VAL A 189 4.578 2.051 0.116 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.578 2.821 0.981 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.934 2.969 -0.926 1.00 0.00 C ATOM 0 H VAL A 189 3.362 -0.061 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 189 5.731 1.218 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 189 3.788 1.678 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.079 3.673 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.969 2.164 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.400 3.176 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.468 3.818 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.698 3.329 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.177 2.415 -1.481 1.00 0.00 H new ATOM 170 N THR A 190 5.990 -0.963 0.857 1.00 0.00 N ATOM 171 CA THR A 190 6.917 -1.689 1.706 1.00 0.00 C ATOM 172 C THR A 190 7.969 -2.405 0.858 1.00 0.00 C ATOM 173 O THR A 190 9.121 -2.536 1.270 1.00 0.00 O ATOM 174 CB THR A 190 6.104 -2.635 2.593 1.00 0.00 C ATOM 175 OG1 THR A 190 5.490 -1.774 3.547 1.00 0.00 O ATOM 176 CG2 THR A 190 6.992 -3.553 3.437 1.00 0.00 C ATOM 0 H THR A 190 5.089 -1.422 0.720 1.00 0.00 H new ATOM 0 HA THR A 190 7.474 -1.011 2.353 1.00 0.00 H new ATOM 0 HB THR A 190 5.444 -3.239 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.942 -2.305 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.366 -4.204 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.615 -4.161 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.628 -2.949 4.084 1.00 0.00 H new ATOM 184 N THR A 191 7.536 -2.851 -0.312 1.00 0.00 N ATOM 185 CA THR A 191 8.427 -3.551 -1.222 1.00 0.00 C ATOM 186 C THR A 191 8.846 -2.631 -2.372 1.00 0.00 C ATOM 187 O THR A 191 9.738 -2.969 -3.148 1.00 0.00 O ATOM 188 CB THR A 191 7.720 -4.824 -1.690 1.00 0.00 C ATOM 189 OG1 THR A 191 8.516 -5.284 -2.779 1.00 0.00 O ATOM 190 CG2 THR A 191 6.355 -4.538 -2.321 1.00 0.00 C ATOM 0 H THR A 191 6.580 -2.741 -0.651 1.00 0.00 H new ATOM 0 HA THR A 191 9.353 -3.840 -0.724 1.00 0.00 H new ATOM 0 HB THR A 191 7.595 -5.500 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.296 -4.700 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 191 5.896 -5.475 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 191 5.712 -4.047 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 191 6.483 -3.888 -3.187 1.00 0.00 H new ATOM 198 N THR A 192 8.182 -1.487 -2.443 1.00 0.00 N ATOM 199 CA THR A 192 8.474 -0.516 -3.483 1.00 0.00 C ATOM 200 C THR A 192 9.174 0.708 -2.890 1.00 0.00 C ATOM 201 O THR A 192 9.844 1.452 -3.605 1.00 0.00 O ATOM 202 CB THR A 192 7.162 -0.179 -4.197 1.00 0.00 C ATOM 203 OG1 THR A 192 6.623 -1.450 -4.550 1.00 0.00 O ATOM 204 CG2 THR A 192 7.389 0.515 -5.542 1.00 0.00 C ATOM 0 H THR A 192 7.443 -1.211 -1.797 1.00 0.00 H new ATOM 0 HA THR A 192 9.167 -0.922 -4.219 1.00 0.00 H new ATOM 0 HB THR A 192 6.554 0.460 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 192 6.205 -1.858 -3.763 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.427 0.732 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.934 1.446 -5.384 1.00 0.00 H new ATOM 0 HG23 THR A 192 7.968 -0.138 -6.195 1.00 0.00 H new ATOM 212 N THR A 193 8.994 0.880 -1.588 1.00 0.00 N ATOM 213 CA THR A 193 9.600 2.001 -0.891 1.00 0.00 C ATOM 214 C THR A 193 9.452 3.283 -1.712 1.00 0.00 C ATOM 215 O THR A 193 10.424 4.005 -1.922 1.00 0.00 O ATOM 216 CB THR A 193 11.056 1.638 -0.588 1.00 0.00 C ATOM 217 OG1 THR A 193 11.612 2.842 -0.067 1.00 0.00 O ATOM 218 CG2 THR A 193 11.868 1.370 -1.856 1.00 0.00 C ATOM 0 H THR A 193 8.437 0.262 -0.998 1.00 0.00 H new ATOM 0 HA THR A 193 9.095 2.198 0.055 1.00 0.00 H new ATOM 0 HB THR A 193 11.085 0.758 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.704 3.499 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.893 1.117 -1.585 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.422 0.540 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.868 2.261 -2.483 1.00 0.00 H new ATOM 226 N LYS A 194 8.226 3.527 -2.153 1.00 0.00 N ATOM 227 CA LYS A 194 7.938 4.709 -2.947 1.00 0.00 C ATOM 228 C LYS A 194 7.850 5.927 -2.025 1.00 0.00 C ATOM 229 O LYS A 194 6.756 6.353 -1.656 1.00 0.00 O ATOM 230 CB LYS A 194 6.687 4.490 -3.799 1.00 0.00 C ATOM 231 CG LYS A 194 6.708 5.382 -5.043 1.00 0.00 C ATOM 232 CD LYS A 194 5.899 4.756 -6.180 1.00 0.00 C ATOM 233 CE LYS A 194 6.021 5.584 -7.460 1.00 0.00 C ATOM 234 NZ LYS A 194 4.992 6.648 -7.489 1.00 0.00 N ATOM 0 H LYS A 194 7.421 2.926 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 194 8.746 4.901 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.625 3.444 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.797 4.706 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 194 6.300 6.363 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.737 5.537 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 194 6.250 3.741 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.851 4.683 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 194 7.014 6.029 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 194 5.909 4.938 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 5.089 7.201 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 4.046 6.217 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 5.117 7.275 -6.668 1.00 0.00 H new ATOM 248 N GLY A 195 9.015 6.454 -1.679 1.00 0.00 N ATOM 249 CA GLY A 195 9.083 7.614 -0.807 1.00 0.00 C ATOM 250 C GLY A 195 8.418 7.327 0.540 1.00 0.00 C ATOM 251 O GLY A 195 8.067 8.250 1.273 1.00 0.00 O ATOM 0 H GLY A 195 9.920 6.099 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 195 10.124 7.895 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.593 8.462 -1.285 1.00 0.00 H new TER 255 GLY A 195