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= -0.103 K(o=-0.1,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= -0.014 X(o=-0.014,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.51) USER MOD Single : A 188 THR OG1 : rot 114:sc= 1.07 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -58:sc= 0.864 USER MOD Single : A 192 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 193 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -9.860 -0.670 -2.935 1.00 0.00 N ATOM 2 CA VAL A 180 -9.182 -1.947 -3.080 1.00 0.00 C ATOM 3 C VAL A 180 -7.751 -1.706 -3.567 1.00 0.00 C ATOM 4 O VAL A 180 -7.013 -2.656 -3.825 1.00 0.00 O ATOM 5 CB VAL A 180 -9.983 -2.863 -4.007 1.00 0.00 C ATOM 6 CG1 VAL A 180 -9.570 -2.663 -5.467 1.00 0.00 C ATOM 7 CG2 VAL A 180 -9.836 -4.328 -3.590 1.00 0.00 C ATOM 0 HA VAL A 180 -9.117 -2.457 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.035 -2.593 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -10.155 -3.326 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -9.750 -1.628 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -8.510 -2.892 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -10.415 -4.958 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -8.786 -4.616 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -10.202 -4.455 -2.571 1.00 0.00 H new ATOM 17 N ASN A 181 -7.403 -0.433 -3.677 1.00 0.00 N ATOM 18 CA ASN A 181 -6.075 -0.056 -4.129 1.00 0.00 C ATOM 19 C ASN A 181 -5.467 0.938 -3.137 1.00 0.00 C ATOM 20 O ASN A 181 -4.438 1.551 -3.419 1.00 0.00 O ATOM 21 CB ASN A 181 -6.129 0.617 -5.501 1.00 0.00 C ATOM 22 CG ASN A 181 -4.839 0.370 -6.284 1.00 0.00 C ATOM 23 OD1 ASN A 181 -3.884 -0.209 -5.793 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.863 0.841 -7.528 1.00 0.00 N ATOM 0 H ASN A 181 -8.018 0.351 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 181 -5.472 -0.962 -4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.980 0.234 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.285 1.689 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.049 0.727 -8.132 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.695 1.316 -7.877 1.00 0.00 H new ATOM 31 N ILE A 182 -6.130 1.068 -1.997 1.00 0.00 N ATOM 32 CA ILE A 182 -5.667 1.978 -0.962 1.00 0.00 C ATOM 33 C ILE A 182 -4.622 1.271 -0.097 1.00 0.00 C ATOM 34 O ILE A 182 -3.519 1.782 0.091 1.00 0.00 O ATOM 35 CB ILE A 182 -6.851 2.530 -0.167 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.552 3.654 -0.935 1.00 0.00 C ATOM 37 CG2 ILE A 182 -6.414 2.978 1.229 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.802 3.133 -1.648 1.00 0.00 C ATOM 0 H ILE A 182 -6.983 0.559 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.179 2.845 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.577 1.727 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.828 4.453 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.866 4.084 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -7.275 3.366 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.996 2.129 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.659 3.759 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.281 3.951 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.519 2.351 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.497 2.725 -0.913 1.00 0.00 H new ATOM 50 N THR A 183 -5.006 0.106 0.406 1.00 0.00 N ATOM 51 CA THR A 183 -4.116 -0.676 1.247 1.00 0.00 C ATOM 52 C THR A 183 -3.116 -1.453 0.387 1.00 0.00 C ATOM 53 O THR A 183 -1.976 -1.667 0.795 1.00 0.00 O ATOM 54 CB THR A 183 -4.975 -1.572 2.140 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.286 -0.750 3.261 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.181 -2.735 2.739 1.00 0.00 C ATOM 0 H THR A 183 -5.921 -0.315 0.247 1.00 0.00 H new ATOM 0 HA THR A 183 -3.514 -0.034 1.890 1.00 0.00 H new ATOM 0 HB THR A 183 -5.813 -1.963 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.843 -1.253 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.838 -3.340 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.776 -3.351 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.363 -2.344 3.344 1.00 0.00 H new ATOM 64 N ILE A 184 -3.581 -1.854 -0.787 1.00 0.00 N ATOM 65 CA ILE A 184 -2.743 -2.603 -1.708 1.00 0.00 C ATOM 66 C ILE A 184 -1.534 -1.749 -2.099 1.00 0.00 C ATOM 67 O ILE A 184 -0.403 -2.232 -2.095 1.00 0.00 O ATOM 68 CB ILE A 184 -3.563 -3.091 -2.903 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.802 -3.861 -2.440 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.700 -3.917 -3.860 1.00 0.00 C ATOM 71 CD1 ILE A 184 -4.410 -5.057 -1.570 1.00 0.00 C ATOM 0 H ILE A 184 -4.528 -1.674 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.358 -3.502 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.913 -2.219 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -5.458 -3.197 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.365 -4.206 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.307 -4.252 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.877 -3.305 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.300 -4.784 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.308 -5.587 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.774 -5.731 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -3.868 -4.706 -0.692 1.00 0.00 H new ATOM 83 N LYS A 185 -1.815 -0.497 -2.427 1.00 0.00 N ATOM 84 CA LYS A 185 -0.765 0.428 -2.820 1.00 0.00 C ATOM 85 C LYS A 185 0.138 0.708 -1.617 1.00 0.00 C ATOM 86 O LYS A 185 1.303 1.064 -1.781 1.00 0.00 O ATOM 87 CB LYS A 185 -1.368 1.688 -3.444 1.00 0.00 C ATOM 88 CG LYS A 185 -0.271 2.614 -3.974 1.00 0.00 C ATOM 89 CD LYS A 185 -0.263 3.944 -3.218 1.00 0.00 C ATOM 90 CE LYS A 185 0.164 5.092 -4.134 1.00 0.00 C ATOM 91 NZ LYS A 185 -0.922 6.091 -4.256 1.00 0.00 N ATOM 0 H LYS A 185 -2.755 -0.101 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.137 -0.014 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.039 1.411 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.967 2.215 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.700 2.129 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.427 2.797 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.256 4.144 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.417 3.880 -2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.060 5.568 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 185 0.420 4.703 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.615 6.863 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -1.768 5.637 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -1.147 6.475 -3.316 1.00 0.00 H new ATOM 105 N GLN A 186 -0.436 0.537 -0.435 1.00 0.00 N ATOM 106 CA GLN A 186 0.303 0.767 0.795 1.00 0.00 C ATOM 107 C GLN A 186 1.278 -0.384 1.053 1.00 0.00 C ATOM 108 O GLN A 186 2.482 -0.166 1.179 1.00 0.00 O ATOM 109 CB GLN A 186 -0.647 0.955 1.979 1.00 0.00 C ATOM 110 CG GLN A 186 -0.603 2.394 2.495 1.00 0.00 C ATOM 111 CD GLN A 186 0.145 2.477 3.827 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.336 2.230 3.915 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.619 2.835 4.855 1.00 0.00 N ATOM 0 H GLN A 186 -1.403 0.242 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 186 0.878 1.686 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.664 0.704 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.374 0.269 2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.115 3.033 1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.618 2.770 2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.610 3.028 4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -0.214 2.917 5.787 1.00 0.00 H new ATOM 122 N HIS A 187 0.722 -1.584 1.122 1.00 0.00 N ATOM 123 CA HIS A 187 1.526 -2.770 1.362 1.00 0.00 C ATOM 124 C HIS A 187 2.588 -2.899 0.268 1.00 0.00 C ATOM 125 O HIS A 187 3.567 -3.627 0.431 1.00 0.00 O ATOM 126 CB HIS A 187 0.642 -4.012 1.480 1.00 0.00 C ATOM 127 CG HIS A 187 1.230 -5.105 2.340 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.912 -4.849 3.516 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.231 -6.461 2.183 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.301 -6.004 4.036 1.00 0.00 C ATOM 131 NE2 HIS A 187 1.877 -7.002 3.207 1.00 0.00 N ATOM 0 H HIS A 187 -0.277 -1.761 1.016 1.00 0.00 H new ATOM 0 HA HIS A 187 2.046 -2.675 2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.324 -3.720 1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.456 -4.409 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 187 0.782 -7.002 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.856 -6.133 4.954 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.032 -8.000 3.351 1.00 0.00 H new ATOM 140 N THR A 188 2.359 -2.183 -0.823 1.00 0.00 N ATOM 141 CA THR A 188 3.283 -2.208 -1.943 1.00 0.00 C ATOM 142 C THR A 188 4.414 -1.201 -1.725 1.00 0.00 C ATOM 143 O THR A 188 5.477 -1.314 -2.333 1.00 0.00 O ATOM 144 CB THR A 188 2.482 -1.955 -3.222 1.00 0.00 C ATOM 145 OG1 THR A 188 1.543 -3.026 -3.262 1.00 0.00 O ATOM 146 CG2 THR A 188 3.321 -2.148 -4.487 1.00 0.00 C ATOM 0 H THR A 188 1.546 -1.581 -0.955 1.00 0.00 H new ATOM 0 HA THR A 188 3.769 -3.180 -2.033 1.00 0.00 H new ATOM 0 HB THR A 188 2.081 -0.942 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.636 -2.670 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.705 -1.956 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.162 -1.454 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.695 -3.171 -4.523 1.00 0.00 H new ATOM 154 N VAL A 189 4.145 -0.238 -0.856 1.00 0.00 N ATOM 155 CA VAL A 189 5.127 0.789 -0.549 1.00 0.00 C ATOM 156 C VAL A 189 6.258 0.176 0.279 1.00 0.00 C ATOM 157 O VAL A 189 7.293 0.806 0.485 1.00 0.00 O ATOM 158 CB VAL A 189 4.448 1.971 0.147 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.483 2.884 0.808 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.571 2.753 -0.832 1.00 0.00 C ATOM 0 H VAL A 189 3.261 -0.147 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 189 5.570 1.180 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 189 3.802 1.574 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.975 3.716 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.047 2.318 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.165 3.269 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.100 3.587 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.186 3.134 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.801 2.096 -1.235 1.00 0.00 H new ATOM 170 N THR A 190 6.020 -1.047 0.733 1.00 0.00 N ATOM 171 CA THR A 190 7.007 -1.751 1.534 1.00 0.00 C ATOM 172 C THR A 190 8.209 -2.146 0.674 1.00 0.00 C ATOM 173 O THR A 190 9.324 -1.684 0.911 1.00 0.00 O ATOM 174 CB THR A 190 6.313 -2.945 2.194 1.00 0.00 C ATOM 175 OG1 THR A 190 5.468 -2.355 3.177 1.00 0.00 O ATOM 176 CG2 THR A 190 7.281 -3.809 3.006 1.00 0.00 C ATOM 0 H THR A 190 5.159 -1.567 0.561 1.00 0.00 H new ATOM 0 HA THR A 190 7.407 -1.112 2.321 1.00 0.00 H new ATOM 0 HB THR A 190 5.835 -3.556 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.978 -3.058 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.738 -4.642 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.062 -4.195 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.733 -3.206 3.794 1.00 0.00 H new ATOM 184 N THR A 191 7.941 -2.997 -0.305 1.00 0.00 N ATOM 185 CA THR A 191 8.988 -3.460 -1.201 1.00 0.00 C ATOM 186 C THR A 191 9.154 -2.490 -2.373 1.00 0.00 C ATOM 187 O THR A 191 9.227 -2.911 -3.526 1.00 0.00 O ATOM 188 CB THR A 191 8.641 -4.886 -1.637 1.00 0.00 C ATOM 189 OG1 THR A 191 9.736 -5.272 -2.462 1.00 0.00 O ATOM 190 CG2 THR A 191 7.433 -4.935 -2.574 1.00 0.00 C ATOM 0 H THR A 191 7.015 -3.378 -0.498 1.00 0.00 H new ATOM 0 HA THR A 191 9.956 -3.484 -0.700 1.00 0.00 H new ATOM 0 HB THR A 191 8.441 -5.496 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.819 -4.645 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.230 -5.969 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.562 -4.518 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.644 -4.353 -3.471 1.00 0.00 H new ATOM 198 N THR A 192 9.208 -1.210 -2.036 1.00 0.00 N ATOM 199 CA THR A 192 9.365 -0.177 -3.046 1.00 0.00 C ATOM 200 C THR A 192 9.639 1.176 -2.387 1.00 0.00 C ATOM 201 O THR A 192 10.454 1.956 -2.878 1.00 0.00 O ATOM 202 CB THR A 192 8.112 -0.181 -3.924 1.00 0.00 C ATOM 203 OG1 THR A 192 8.505 -0.908 -5.086 1.00 0.00 O ATOM 204 CG2 THR A 192 7.765 1.211 -4.456 1.00 0.00 C ATOM 0 H THR A 192 9.146 -0.865 -1.078 1.00 0.00 H new ATOM 0 HA THR A 192 10.228 -0.374 -3.683 1.00 0.00 H new ATOM 0 HB THR A 192 7.270 -0.572 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.825 -1.796 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.868 1.152 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.586 1.886 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.593 1.588 -5.056 1.00 0.00 H new ATOM 212 N THR A 193 8.944 1.413 -1.284 1.00 0.00 N ATOM 213 CA THR A 193 9.103 2.659 -0.552 1.00 0.00 C ATOM 214 C THR A 193 8.932 3.854 -1.491 1.00 0.00 C ATOM 215 O THR A 193 9.783 4.740 -1.536 1.00 0.00 O ATOM 216 CB THR A 193 10.464 2.625 0.147 1.00 0.00 C ATOM 217 OG1 THR A 193 10.735 1.236 0.313 1.00 0.00 O ATOM 218 CG2 THR A 193 10.400 3.166 1.577 1.00 0.00 C ATOM 0 H THR A 193 8.270 0.764 -0.879 1.00 0.00 H new ATOM 0 HA THR A 193 8.332 2.772 0.210 1.00 0.00 H new ATOM 0 HB THR A 193 11.183 3.206 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.601 1.123 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 193 11.391 3.120 2.028 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.057 4.200 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 193 9.706 2.564 2.163 1.00 0.00 H new ATOM 226 N LYS A 194 7.824 3.841 -2.217 1.00 0.00 N ATOM 227 CA LYS A 194 7.529 4.913 -3.153 1.00 0.00 C ATOM 228 C LYS A 194 7.416 6.234 -2.388 1.00 0.00 C ATOM 229 O LYS A 194 6.430 6.469 -1.691 1.00 0.00 O ATOM 230 CB LYS A 194 6.290 4.574 -3.983 1.00 0.00 C ATOM 231 CG LYS A 194 6.179 5.493 -5.203 1.00 0.00 C ATOM 232 CD LYS A 194 5.664 4.725 -6.422 1.00 0.00 C ATOM 233 CE LYS A 194 5.909 5.514 -7.710 1.00 0.00 C ATOM 234 NZ LYS A 194 4.639 5.718 -8.442 1.00 0.00 N ATOM 0 H LYS A 194 7.119 3.105 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 194 8.342 5.028 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.339 3.535 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.397 4.673 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 194 5.506 6.321 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.154 5.926 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 194 6.162 3.757 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.598 4.528 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 194 6.358 6.479 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 194 6.618 4.979 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 4.823 6.255 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 4.226 4.795 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 3.974 6.248 -7.843 1.00 0.00 H new ATOM 248 N GLY A 195 8.438 7.061 -2.545 1.00 0.00 N ATOM 249 CA GLY A 195 8.465 8.352 -1.878 1.00 0.00 C ATOM 250 C GLY A 195 7.567 9.360 -2.598 1.00 0.00 C ATOM 251 O GLY A 195 6.675 9.948 -1.989 1.00 0.00 O ATOM 0 H GLY A 195 9.254 6.863 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.135 8.239 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.488 8.728 -1.847 1.00 0.00 H new TER 255 GLY A 195