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= -0.283 K(o=-0.28,f=-1.4) 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= -0.128 K(o=-0.13,f=-1.3!) USER MOD Single : A 187 HIS : no HD1:sc=-0.00823 X(o=-0.0082,f=-0.15) USER MOD Single : A 188 THR OG1 : rot 106:sc= 0.991 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -52:sc= 1.03 USER MOD Single : A 192 THR OG1 : rot 42:sc= 1.2 USER MOD Single : A 193 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.890 0.244 -2.481 1.00 0.00 N ATOM 2 CA VAL A 180 -10.405 -1.019 -1.950 1.00 0.00 C ATOM 3 C VAL A 180 -9.069 -1.366 -2.609 1.00 0.00 C ATOM 4 O VAL A 180 -8.756 -2.539 -2.807 1.00 0.00 O ATOM 5 CB VAL A 180 -11.465 -2.107 -2.136 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.039 -3.409 -1.456 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.827 -1.639 -1.622 1.00 0.00 C ATOM 0 HA VAL A 180 -10.226 -0.939 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.560 -2.303 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.810 -4.166 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.102 -3.757 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -10.901 -3.234 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -13.562 -2.431 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.753 -1.401 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -13.138 -0.751 -2.172 1.00 0.00 H new ATOM 17 N ASN A 181 -8.317 -0.324 -2.933 1.00 0.00 N ATOM 18 CA ASN A 181 -7.022 -0.504 -3.567 1.00 0.00 C ATOM 19 C ASN A 181 -6.010 0.451 -2.930 1.00 0.00 C ATOM 20 O ASN A 181 -4.947 0.702 -3.496 1.00 0.00 O ATOM 21 CB ASN A 181 -7.092 -0.190 -5.063 1.00 0.00 C ATOM 22 CG ASN A 181 -5.990 -0.924 -5.829 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.935 -1.237 -5.303 1.00 0.00 O ATOM 24 ND2 ASN A 181 -6.293 -1.180 -7.098 1.00 0.00 N ATOM 0 H ASN A 181 -8.580 0.648 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.722 -1.543 -3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -8.067 -0.481 -5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.994 0.884 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -5.623 -1.666 -7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -7.195 -0.890 -7.475 1.00 0.00 H new ATOM 31 N ILE A 182 -6.377 0.959 -1.763 1.00 0.00 N ATOM 32 CA ILE A 182 -5.515 1.881 -1.043 1.00 0.00 C ATOM 33 C ILE A 182 -4.481 1.087 -0.242 1.00 0.00 C ATOM 34 O ILE A 182 -3.286 1.365 -0.316 1.00 0.00 O ATOM 35 CB ILE A 182 -6.349 2.841 -0.192 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.960 3.948 -1.053 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.523 3.404 0.966 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.326 3.529 -1.598 1.00 0.00 C ATOM 0 H ILE A 182 -7.260 0.750 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.962 2.510 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.176 2.281 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.064 4.858 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.290 4.181 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.139 4.083 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.178 2.586 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.663 3.944 0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.738 4.334 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.215 2.633 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.001 3.320 -0.768 1.00 0.00 H new ATOM 50 N THR A 183 -4.980 0.113 0.505 1.00 0.00 N ATOM 51 CA THR A 183 -4.116 -0.724 1.319 1.00 0.00 C ATOM 52 C THR A 183 -3.095 -1.450 0.441 1.00 0.00 C ATOM 53 O THR A 183 -1.939 -1.612 0.830 1.00 0.00 O ATOM 54 CB THR A 183 -5.002 -1.671 2.131 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.259 -0.957 3.338 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.253 -2.922 2.592 1.00 0.00 C ATOM 0 H THR A 183 -5.972 -0.115 0.563 1.00 0.00 H new ATOM 0 HA THR A 183 -3.530 -0.126 2.017 1.00 0.00 H new ATOM 0 HB THR A 183 -5.864 -1.964 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.829 -1.498 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.927 -3.560 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.887 -3.468 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.410 -2.631 3.219 1.00 0.00 H new ATOM 64 N ILE A 184 -3.560 -1.869 -0.728 1.00 0.00 N ATOM 65 CA ILE A 184 -2.702 -2.575 -1.664 1.00 0.00 C ATOM 66 C ILE A 184 -1.520 -1.679 -2.040 1.00 0.00 C ATOM 67 O ILE A 184 -0.367 -2.101 -1.959 1.00 0.00 O ATOM 68 CB ILE A 184 -3.510 -3.063 -2.867 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.287 -4.337 -2.526 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.612 -3.251 -4.092 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.796 -4.087 -2.570 1.00 0.00 C ATOM 0 H ILE A 184 -4.519 -1.733 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.289 -3.471 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.243 -2.296 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.025 -5.127 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.001 -4.687 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.212 -3.599 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.143 -2.301 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -1.840 -3.988 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.325 -5.008 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.058 -3.314 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.082 -3.761 -3.570 1.00 0.00 H new ATOM 83 N LYS A 185 -1.846 -0.460 -2.443 1.00 0.00 N ATOM 84 CA LYS A 185 -0.826 0.498 -2.833 1.00 0.00 C ATOM 85 C LYS A 185 0.091 0.773 -1.638 1.00 0.00 C ATOM 86 O LYS A 185 1.254 1.133 -1.814 1.00 0.00 O ATOM 87 CB LYS A 185 -1.468 1.758 -3.416 1.00 0.00 C ATOM 88 CG LYS A 185 -0.500 2.483 -4.354 1.00 0.00 C ATOM 89 CD LYS A 185 -0.029 3.803 -3.741 1.00 0.00 C ATOM 90 CE LYS A 185 -0.494 4.994 -4.579 1.00 0.00 C ATOM 91 NZ LYS A 185 -0.039 6.266 -3.973 1.00 0.00 N ATOM 0 H LYS A 185 -2.803 -0.114 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.203 0.088 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.375 1.491 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.766 2.426 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.360 1.845 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.989 2.675 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.416 3.895 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 185 1.059 3.807 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.103 4.907 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -1.581 4.990 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.364 7.064 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.433 6.354 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.000 6.275 -3.923 1.00 0.00 H new ATOM 105 N GLN A 186 -0.466 0.592 -0.451 1.00 0.00 N ATOM 106 CA GLN A 186 0.285 0.816 0.772 1.00 0.00 C ATOM 107 C GLN A 186 1.269 -0.334 1.008 1.00 0.00 C ATOM 108 O GLN A 186 2.470 -0.108 1.152 1.00 0.00 O ATOM 109 CB GLN A 186 -0.651 0.990 1.969 1.00 0.00 C ATOM 110 CG GLN A 186 -0.606 2.425 2.496 1.00 0.00 C ATOM 111 CD GLN A 186 0.153 2.499 3.822 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.933 1.627 4.170 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.118 3.585 4.541 1.00 0.00 N ATOM 0 H GLN A 186 -1.431 0.292 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 186 0.853 1.740 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.671 0.738 1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.366 0.299 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.125 3.071 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.621 2.798 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.781 4.276 4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.338 3.727 5.443 1.00 0.00 H new ATOM 122 N HIS A 187 0.722 -1.540 1.040 1.00 0.00 N ATOM 123 CA HIS A 187 1.536 -2.725 1.255 1.00 0.00 C ATOM 124 C HIS A 187 2.576 -2.844 0.139 1.00 0.00 C ATOM 125 O HIS A 187 3.543 -3.594 0.264 1.00 0.00 O ATOM 126 CB HIS A 187 0.659 -3.971 1.382 1.00 0.00 C ATOM 127 CG HIS A 187 0.921 -4.783 2.629 1.00 0.00 C ATOM 128 ND1 HIS A 187 0.842 -4.247 3.903 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.261 -6.094 2.783 1.00 0.00 C ATOM 130 CE1 HIS A 187 1.125 -5.202 4.776 1.00 0.00 C ATOM 131 NE2 HIS A 187 1.385 -6.346 4.080 1.00 0.00 N ATOM 0 H HIS A 187 -0.274 -1.723 0.921 1.00 0.00 H new ATOM 0 HA HIS A 187 2.075 -2.633 2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.388 -3.668 1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.817 -4.604 0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 187 1.405 -6.807 1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 187 1.146 -5.094 5.850 1.00 0.00 H new ATOM 0 HE2 HIS A 187 1.634 -7.247 4.489 1.00 0.00 H new ATOM 140 N THR A 188 2.343 -2.090 -0.926 1.00 0.00 N ATOM 141 CA THR A 188 3.246 -2.102 -2.063 1.00 0.00 C ATOM 142 C THR A 188 4.412 -1.140 -1.827 1.00 0.00 C ATOM 143 O THR A 188 5.459 -1.261 -2.461 1.00 0.00 O ATOM 144 CB THR A 188 2.433 -1.775 -3.317 1.00 0.00 C ATOM 145 OG1 THR A 188 1.447 -2.802 -3.369 1.00 0.00 O ATOM 146 CG2 THR A 188 3.238 -1.967 -4.604 1.00 0.00 C ATOM 0 H THR A 188 1.541 -1.467 -1.025 1.00 0.00 H new ATOM 0 HA THR A 188 3.698 -3.085 -2.199 1.00 0.00 H new ATOM 0 HB THR A 188 2.078 -0.746 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.579 -2.436 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.614 -1.721 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.109 -1.312 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.565 -3.004 -4.677 1.00 0.00 H new ATOM 154 N VAL A 189 4.191 -0.205 -0.915 1.00 0.00 N ATOM 155 CA VAL A 189 5.210 0.777 -0.587 1.00 0.00 C ATOM 156 C VAL A 189 6.294 0.116 0.266 1.00 0.00 C ATOM 157 O VAL A 189 7.366 0.687 0.466 1.00 0.00 O ATOM 158 CB VAL A 189 4.570 1.989 0.094 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.595 2.748 0.938 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.912 2.911 -0.933 1.00 0.00 C ATOM 0 H VAL A 189 3.320 -0.107 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 189 5.690 1.146 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 189 3.790 1.625 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.114 3.604 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 189 5.995 2.086 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.407 3.095 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.465 3.764 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.663 3.264 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.138 2.363 -1.470 1.00 0.00 H new ATOM 170 N THR A 190 5.979 -1.078 0.745 1.00 0.00 N ATOM 171 CA THR A 190 6.914 -1.824 1.571 1.00 0.00 C ATOM 172 C THR A 190 8.152 -2.211 0.760 1.00 0.00 C ATOM 173 O THR A 190 9.254 -1.738 1.036 1.00 0.00 O ATOM 174 CB THR A 190 6.172 -3.025 2.158 1.00 0.00 C ATOM 175 OG1 THR A 190 5.350 -2.462 3.178 1.00 0.00 O ATOM 176 CG2 THR A 190 7.102 -3.977 2.914 1.00 0.00 C ATOM 0 H THR A 190 5.089 -1.548 0.577 1.00 0.00 H new ATOM 0 HA THR A 190 7.283 -1.216 2.397 1.00 0.00 H new ATOM 0 HB THR A 190 5.670 -3.567 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.832 -3.173 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.524 -4.812 3.310 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.866 -4.355 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.579 -3.443 3.736 1.00 0.00 H new ATOM 184 N THR A 191 7.930 -3.069 -0.226 1.00 0.00 N ATOM 185 CA THR A 191 9.012 -3.525 -1.079 1.00 0.00 C ATOM 186 C THR A 191 9.251 -2.531 -2.218 1.00 0.00 C ATOM 187 O THR A 191 9.380 -2.927 -3.375 1.00 0.00 O ATOM 188 CB THR A 191 8.670 -4.935 -1.565 1.00 0.00 C ATOM 189 OG1 THR A 191 9.781 -5.302 -2.378 1.00 0.00 O ATOM 190 CG2 THR A 191 7.482 -4.949 -2.530 1.00 0.00 C ATOM 0 H THR A 191 7.015 -3.460 -0.452 1.00 0.00 H new ATOM 0 HA THR A 191 9.953 -3.574 -0.530 1.00 0.00 H new ATOM 0 HB THR A 191 8.450 -5.571 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.941 -4.604 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.281 -5.973 -2.845 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.602 -4.544 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.716 -4.340 -3.404 1.00 0.00 H new ATOM 198 N THR A 192 9.300 -1.259 -1.849 1.00 0.00 N ATOM 199 CA THR A 192 9.520 -0.205 -2.824 1.00 0.00 C ATOM 200 C THR A 192 9.919 1.095 -2.124 1.00 0.00 C ATOM 201 O THR A 192 10.803 1.811 -2.592 1.00 0.00 O ATOM 202 CB THR A 192 8.253 -0.075 -3.673 1.00 0.00 C ATOM 203 OG1 THR A 192 8.538 -0.839 -4.842 1.00 0.00 O ATOM 204 CG2 THR A 192 8.045 1.346 -4.200 1.00 0.00 C ATOM 0 H THR A 192 9.191 -0.935 -0.888 1.00 0.00 H new ATOM 0 HA THR A 192 10.350 -0.447 -3.488 1.00 0.00 H new ATOM 0 HB THR A 192 7.388 -0.374 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.991 -1.670 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 192 7.133 1.383 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.959 2.036 -3.361 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.895 1.632 -4.820 1.00 0.00 H new ATOM 212 N THR A 193 9.246 1.362 -1.014 1.00 0.00 N ATOM 213 CA THR A 193 9.519 2.564 -0.246 1.00 0.00 C ATOM 214 C THR A 193 9.284 3.810 -1.101 1.00 0.00 C ATOM 215 O THR A 193 10.133 4.698 -1.157 1.00 0.00 O ATOM 216 CB THR A 193 10.945 2.462 0.301 1.00 0.00 C ATOM 217 OG1 THR A 193 11.226 1.065 0.279 1.00 0.00 O ATOM 218 CG2 THR A 193 11.033 2.838 1.782 1.00 0.00 C ATOM 0 H THR A 193 8.513 0.767 -0.629 1.00 0.00 H new ATOM 0 HA THR A 193 8.837 2.656 0.599 1.00 0.00 H new ATOM 0 HB THR A 193 11.603 3.111 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 193 12.133 0.908 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.066 2.749 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.695 3.865 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 193 10.401 2.168 2.366 1.00 0.00 H new ATOM 226 N LYS A 194 8.126 3.836 -1.745 1.00 0.00 N ATOM 227 CA LYS A 194 7.768 4.959 -2.595 1.00 0.00 C ATOM 228 C LYS A 194 7.742 6.239 -1.758 1.00 0.00 C ATOM 229 O LYS A 194 7.215 6.248 -0.647 1.00 0.00 O ATOM 230 CB LYS A 194 6.455 4.678 -3.329 1.00 0.00 C ATOM 231 CG LYS A 194 6.253 5.659 -4.485 1.00 0.00 C ATOM 232 CD LYS A 194 4.874 5.477 -5.123 1.00 0.00 C ATOM 233 CE LYS A 194 4.813 6.147 -6.498 1.00 0.00 C ATOM 234 NZ LYS A 194 5.254 5.206 -7.552 1.00 0.00 N ATOM 0 H LYS A 194 7.424 3.098 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 194 8.518 5.102 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.459 3.657 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.621 4.755 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 194 6.358 6.681 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.028 5.507 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.653 4.414 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 194 4.110 5.903 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 194 3.795 6.480 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 194 5.447 7.034 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 5.207 5.676 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 6.233 4.908 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 4.633 4.372 -7.555 1.00 0.00 H new ATOM 248 N GLY A 195 8.318 7.290 -2.324 1.00 0.00 N ATOM 249 CA GLY A 195 8.368 8.573 -1.643 1.00 0.00 C ATOM 250 C GLY A 195 9.576 8.651 -0.707 1.00 0.00 C ATOM 251 O GLY A 195 10.203 9.702 -0.583 1.00 0.00 O ATOM 0 H GLY A 195 8.754 7.279 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.420 9.377 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 195 7.451 8.722 -1.072 1.00 0.00 H new TER 255 GLY A 195