USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=8 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= -0.0572 K(o=-0.057,f=-0.82) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 163:sc= -0.0284 (180deg=-0.206) USER MOD Single : A 186 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.059) USER MOD Single : A 188 THR OG1 : rot 109:sc= 1.16 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -61:sc= 0.911 USER MOD Single : A 192 THR OG1 : rot 59:sc= 1.25 USER MOD Single : A 193 THR OG1 : rot -64:sc= 1.01 USER MOD Single : A 194 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0123) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.983 -0.953 -4.035 1.00 0.00 N ATOM 2 CA VAL A 180 -10.117 -2.048 -4.437 1.00 0.00 C ATOM 3 C VAL A 180 -8.709 -1.510 -4.698 1.00 0.00 C ATOM 4 O VAL A 180 -7.983 -2.041 -5.536 1.00 0.00 O ATOM 5 CB VAL A 180 -10.715 -2.771 -5.647 1.00 0.00 C ATOM 6 CG1 VAL A 180 -9.846 -3.961 -6.058 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.153 -3.212 -5.367 1.00 0.00 C ATOM 0 HA VAL A 180 -10.040 -2.787 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.737 -2.069 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -10.293 -4.457 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -8.848 -3.610 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.778 -4.665 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.554 -3.723 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.166 -3.890 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.765 -2.338 -5.145 1.00 0.00 H new ATOM 17 N ASN A 181 -8.365 -0.463 -3.963 1.00 0.00 N ATOM 18 CA ASN A 181 -7.057 0.153 -4.104 1.00 0.00 C ATOM 19 C ASN A 181 -6.899 1.252 -3.052 1.00 0.00 C ATOM 20 O ASN A 181 -7.254 2.404 -3.293 1.00 0.00 O ATOM 21 CB ASN A 181 -6.895 0.794 -5.484 1.00 0.00 C ATOM 22 CG ASN A 181 -5.420 0.864 -5.887 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.649 -0.059 -5.681 1.00 0.00 O ATOM 24 ND2 ASN A 181 -5.073 2.008 -6.471 1.00 0.00 N ATOM 0 H ASN A 181 -8.970 -0.026 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.304 -0.624 -3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.451 0.218 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.321 1.797 -5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -4.111 2.153 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.769 2.740 -6.613 1.00 0.00 H new ATOM 31 N ILE A 182 -6.365 0.857 -1.905 1.00 0.00 N ATOM 32 CA ILE A 182 -6.156 1.794 -0.814 1.00 0.00 C ATOM 33 C ILE A 182 -5.021 1.286 0.077 1.00 0.00 C ATOM 34 O ILE A 182 -4.136 2.052 0.458 1.00 0.00 O ATOM 35 CB ILE A 182 -7.464 2.042 -0.063 1.00 0.00 C ATOM 36 CG1 ILE A 182 -8.380 2.980 -0.850 1.00 0.00 C ATOM 37 CG2 ILE A 182 -7.195 2.558 1.353 1.00 0.00 C ATOM 38 CD1 ILE A 182 -9.413 2.190 -1.657 1.00 0.00 C ATOM 0 H ILE A 182 -6.071 -0.100 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.849 2.766 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.986 1.090 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.890 3.656 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -7.783 3.597 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -8.142 2.726 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -6.611 1.821 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -6.640 3.495 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -10.051 2.882 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.901 1.532 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -10.024 1.593 -0.980 1.00 0.00 H new ATOM 50 N THR A 183 -5.082 -0.001 0.383 1.00 0.00 N ATOM 51 CA THR A 183 -4.070 -0.619 1.223 1.00 0.00 C ATOM 52 C THR A 183 -3.107 -1.451 0.373 1.00 0.00 C ATOM 53 O THR A 183 -2.040 -1.844 0.842 1.00 0.00 O ATOM 54 CB THR A 183 -4.785 -1.433 2.304 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.592 -0.674 3.495 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.086 -2.763 2.593 1.00 0.00 C ATOM 0 H THR A 183 -5.816 -0.633 0.065 1.00 0.00 H new ATOM 0 HA THR A 183 -3.453 0.132 1.716 1.00 0.00 H new ATOM 0 HB THR A 183 -5.813 -1.622 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.026 -1.129 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.633 -3.301 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 183 -4.057 -3.364 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.068 -2.573 2.934 1.00 0.00 H new ATOM 64 N ILE A 184 -3.518 -1.694 -0.863 1.00 0.00 N ATOM 65 CA ILE A 184 -2.706 -2.472 -1.782 1.00 0.00 C ATOM 66 C ILE A 184 -1.462 -1.667 -2.164 1.00 0.00 C ATOM 67 O ILE A 184 -0.347 -2.183 -2.125 1.00 0.00 O ATOM 68 CB ILE A 184 -3.539 -2.924 -2.983 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.722 -3.785 -2.537 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.667 -3.639 -4.018 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.005 -3.372 -3.260 1.00 0.00 C ATOM 0 H ILE A 184 -4.403 -1.365 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.359 -3.387 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.950 -2.038 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.509 -4.835 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.860 -3.689 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.284 -3.950 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.888 -2.961 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.207 -4.516 -3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.830 -4.000 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.229 -2.329 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.872 -3.492 -4.335 1.00 0.00 H new ATOM 83 N LYS A 185 -1.697 -0.413 -2.524 1.00 0.00 N ATOM 84 CA LYS A 185 -0.609 0.470 -2.913 1.00 0.00 C ATOM 85 C LYS A 185 0.277 0.745 -1.697 1.00 0.00 C ATOM 86 O LYS A 185 1.457 1.063 -1.843 1.00 0.00 O ATOM 87 CB LYS A 185 -1.157 1.735 -3.575 1.00 0.00 C ATOM 88 CG LYS A 185 -0.105 2.381 -4.479 1.00 0.00 C ATOM 89 CD LYS A 185 -0.114 3.903 -4.329 1.00 0.00 C ATOM 90 CE LYS A 185 1.312 4.456 -4.258 1.00 0.00 C ATOM 91 NZ LYS A 185 1.827 4.384 -2.874 1.00 0.00 N ATOM 0 H LYS A 185 -2.624 0.012 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 185 0.020 -0.007 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.043 1.489 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.469 2.445 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.882 1.993 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.299 2.113 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.640 4.352 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.661 4.180 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.962 3.889 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.325 5.490 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.862 4.484 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.410 5.151 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.571 3.467 -2.456 1.00 0.00 H new ATOM 105 N GLN A 186 -0.325 0.615 -0.524 1.00 0.00 N ATOM 106 CA GLN A 186 0.395 0.846 0.717 1.00 0.00 C ATOM 107 C GLN A 186 1.328 -0.329 1.016 1.00 0.00 C ATOM 108 O GLN A 186 2.536 -0.147 1.157 1.00 0.00 O ATOM 109 CB GLN A 186 -0.574 1.088 1.876 1.00 0.00 C ATOM 110 CG GLN A 186 -0.491 2.534 2.367 1.00 0.00 C ATOM 111 CD GLN A 186 0.217 2.614 3.722 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.409 2.857 3.814 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.581 2.396 4.763 1.00 0.00 N ATOM 0 H GLN A 186 -1.304 0.353 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 186 1.001 1.744 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.592 0.867 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.343 0.408 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.045 3.140 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.494 2.951 2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.570 2.198 4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -0.204 2.427 5.710 1.00 0.00 H new ATOM 122 N HIS A 187 0.731 -1.508 1.105 1.00 0.00 N ATOM 123 CA HIS A 187 1.494 -2.713 1.385 1.00 0.00 C ATOM 124 C HIS A 187 2.592 -2.882 0.335 1.00 0.00 C ATOM 125 O HIS A 187 3.560 -3.607 0.555 1.00 0.00 O ATOM 126 CB HIS A 187 0.570 -3.930 1.479 1.00 0.00 C ATOM 127 CG HIS A 187 1.288 -5.255 1.369 1.00 0.00 C ATOM 128 ND1 HIS A 187 2.035 -5.791 2.403 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.364 -6.145 0.338 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.534 -6.951 2.002 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.117 -7.168 0.722 1.00 0.00 N ATOM 0 H HIS A 187 -0.272 -1.655 0.988 1.00 0.00 H new ATOM 0 HA HIS A 187 1.981 -2.622 2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.036 -3.895 2.428 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -0.179 -3.867 0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 187 0.892 -6.036 -0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 187 3.161 -7.609 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 187 2.346 -7.983 0.153 1.00 0.00 H new ATOM 140 N THR A 188 2.406 -2.199 -0.785 1.00 0.00 N ATOM 141 CA THR A 188 3.369 -2.264 -1.870 1.00 0.00 C ATOM 142 C THR A 188 4.496 -1.254 -1.645 1.00 0.00 C ATOM 143 O THR A 188 5.582 -1.394 -2.204 1.00 0.00 O ATOM 144 CB THR A 188 2.617 -2.051 -3.184 1.00 0.00 C ATOM 145 OG1 THR A 188 1.688 -3.131 -3.232 1.00 0.00 O ATOM 146 CG2 THR A 188 3.504 -2.267 -4.411 1.00 0.00 C ATOM 0 H THR A 188 1.602 -1.598 -0.964 1.00 0.00 H new ATOM 0 HA THR A 188 3.853 -3.240 -1.910 1.00 0.00 H new ATOM 0 HB THR A 188 2.208 -1.041 -3.207 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.781 -2.789 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.919 -2.103 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.338 -1.565 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.888 -3.287 -4.407 1.00 0.00 H new ATOM 154 N VAL A 189 4.197 -0.257 -0.825 1.00 0.00 N ATOM 155 CA VAL A 189 5.172 0.777 -0.518 1.00 0.00 C ATOM 156 C VAL A 189 6.307 0.173 0.312 1.00 0.00 C ATOM 157 O VAL A 189 7.334 0.814 0.526 1.00 0.00 O ATOM 158 CB VAL A 189 4.484 1.955 0.177 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.514 2.937 0.738 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.513 2.659 -0.771 1.00 0.00 C ATOM 0 H VAL A 189 3.294 -0.143 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 189 5.613 1.170 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 189 3.907 1.561 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.999 3.764 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.148 2.425 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.130 3.322 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.038 3.492 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.058 3.034 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.750 1.954 -1.100 1.00 0.00 H new ATOM 170 N THR A 190 6.082 -1.054 0.758 1.00 0.00 N ATOM 171 CA THR A 190 7.072 -1.753 1.559 1.00 0.00 C ATOM 172 C THR A 190 8.240 -2.211 0.684 1.00 0.00 C ATOM 173 O THR A 190 9.385 -1.828 0.919 1.00 0.00 O ATOM 174 CB THR A 190 6.370 -2.901 2.284 1.00 0.00 C ATOM 175 OG1 THR A 190 5.679 -2.266 3.356 1.00 0.00 O ATOM 176 CG2 THR A 190 7.354 -3.842 2.982 1.00 0.00 C ATOM 0 H THR A 190 5.228 -1.582 0.580 1.00 0.00 H new ATOM 0 HA THR A 190 7.508 -1.094 2.310 1.00 0.00 H new ATOM 0 HB THR A 190 5.770 -3.466 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.195 -2.940 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.803 -4.639 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.029 -4.275 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.931 -3.283 3.719 1.00 0.00 H new ATOM 184 N THR A 191 7.910 -3.025 -0.309 1.00 0.00 N ATOM 185 CA THR A 191 8.918 -3.539 -1.221 1.00 0.00 C ATOM 186 C THR A 191 9.059 -2.619 -2.435 1.00 0.00 C ATOM 187 O THR A 191 9.061 -3.083 -3.573 1.00 0.00 O ATOM 188 CB THR A 191 8.534 -4.974 -1.588 1.00 0.00 C ATOM 189 OG1 THR A 191 9.570 -5.396 -2.469 1.00 0.00 O ATOM 190 CG2 THR A 191 7.268 -5.040 -2.445 1.00 0.00 C ATOM 0 H THR A 191 6.959 -3.341 -0.502 1.00 0.00 H new ATOM 0 HA THR A 191 9.902 -3.559 -0.752 1.00 0.00 H new ATOM 0 HB THR A 191 8.387 -5.554 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.583 -4.817 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.040 -6.080 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.435 -4.599 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.426 -4.488 -3.371 1.00 0.00 H new ATOM 198 N THR A 192 9.174 -1.330 -2.148 1.00 0.00 N ATOM 199 CA THR A 192 9.315 -0.340 -3.202 1.00 0.00 C ATOM 200 C THR A 192 9.571 1.045 -2.602 1.00 0.00 C ATOM 201 O THR A 192 10.345 1.828 -3.149 1.00 0.00 O ATOM 202 CB THR A 192 8.062 -0.399 -4.078 1.00 0.00 C ATOM 203 OG1 THR A 192 8.478 -1.126 -5.231 1.00 0.00 O ATOM 204 CG2 THR A 192 7.665 0.972 -4.627 1.00 0.00 C ATOM 0 H THR A 192 9.172 -0.949 -1.202 1.00 0.00 H new ATOM 0 HA THR A 192 10.179 -0.553 -3.831 1.00 0.00 H new ATOM 0 HB THR A 192 7.235 -0.812 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.798 -2.012 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.770 0.873 -5.241 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.463 1.651 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.479 1.371 -5.233 1.00 0.00 H new ATOM 212 N THR A 193 8.906 1.302 -1.486 1.00 0.00 N ATOM 213 CA THR A 193 9.053 2.578 -0.806 1.00 0.00 C ATOM 214 C THR A 193 8.950 3.731 -1.806 1.00 0.00 C ATOM 215 O THR A 193 9.843 4.573 -1.883 1.00 0.00 O ATOM 216 CB THR A 193 10.376 2.556 -0.039 1.00 0.00 C ATOM 217 OG1 THR A 193 10.491 3.873 0.494 1.00 0.00 O ATOM 218 CG2 THR A 193 11.588 2.421 -0.963 1.00 0.00 C ATOM 0 H THR A 193 8.264 0.649 -1.036 1.00 0.00 H new ATOM 0 HA THR A 193 8.248 2.738 -0.089 1.00 0.00 H new ATOM 0 HB THR A 193 10.368 1.730 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 193 10.563 4.518 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.501 2.411 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.513 1.492 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.615 3.264 -1.653 1.00 0.00 H new ATOM 226 N LYS A 194 7.852 3.732 -2.548 1.00 0.00 N ATOM 227 CA LYS A 194 7.621 4.768 -3.541 1.00 0.00 C ATOM 228 C LYS A 194 7.546 6.128 -2.845 1.00 0.00 C ATOM 229 O LYS A 194 6.996 6.240 -1.750 1.00 0.00 O ATOM 230 CB LYS A 194 6.385 4.438 -4.381 1.00 0.00 C ATOM 231 CG LYS A 194 6.336 5.297 -5.645 1.00 0.00 C ATOM 232 CD LYS A 194 5.973 4.454 -6.869 1.00 0.00 C ATOM 233 CE LYS A 194 5.085 5.241 -7.834 1.00 0.00 C ATOM 234 NZ LYS A 194 5.831 6.382 -8.411 1.00 0.00 N ATOM 0 H LYS A 194 7.113 3.032 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 194 8.453 4.815 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.398 3.383 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.484 4.603 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 194 5.604 6.094 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.303 5.774 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 194 6.883 4.139 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 194 5.457 3.548 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 194 4.736 4.586 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 194 4.201 5.604 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 5.237 6.865 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 6.084 7.049 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 6.697 6.034 -8.870 1.00 0.00 H new ATOM 248 N GLY A 195 8.107 7.128 -3.508 1.00 0.00 N ATOM 249 CA GLY A 195 8.112 8.476 -2.967 1.00 0.00 C ATOM 250 C GLY A 195 6.972 9.308 -3.558 1.00 0.00 C ATOM 251 O GLY A 195 6.340 10.093 -2.852 1.00 0.00 O ATOM 0 H GLY A 195 8.562 7.031 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.014 8.437 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.067 8.955 -3.183 1.00 0.00 H new TER 255 GLY A 195