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= -0.405 K(o=-0.4,f=-3.4!) 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 X(o=0,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.045) USER MOD Single : A 188 THR OG1 : rot 114:sc= 0.973 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 49:sc= 1.23 USER MOD Single : A 193 THR OG1 : rot -62:sc= 0.964 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.133 -0.685 -5.365 1.00 0.00 N ATOM 2 CA VAL A 180 -9.444 -0.836 -4.095 1.00 0.00 C ATOM 3 C VAL A 180 -7.937 -0.925 -4.345 1.00 0.00 C ATOM 4 O VAL A 180 -7.442 -1.947 -4.821 1.00 0.00 O ATOM 5 CB VAL A 180 -9.998 -2.046 -3.340 1.00 0.00 C ATOM 6 CG1 VAL A 180 -11.405 -1.765 -2.811 1.00 0.00 C ATOM 7 CG2 VAL A 180 -9.982 -3.297 -4.222 1.00 0.00 C ATOM 0 HA VAL A 180 -9.617 0.033 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 180 -9.350 -2.232 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.775 -2.641 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -11.375 -0.913 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.069 -1.540 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -10.381 -4.143 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.595 -3.126 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -8.958 -3.514 -4.527 1.00 0.00 H new ATOM 17 N ASN A 181 -7.249 0.157 -4.013 1.00 0.00 N ATOM 18 CA ASN A 181 -5.808 0.213 -4.195 1.00 0.00 C ATOM 19 C ASN A 181 -5.198 1.124 -3.127 1.00 0.00 C ATOM 20 O ASN A 181 -4.096 1.641 -3.303 1.00 0.00 O ATOM 21 CB ASN A 181 -5.449 0.786 -5.567 1.00 0.00 C ATOM 22 CG ASN A 181 -5.721 2.290 -5.621 1.00 0.00 C ATOM 23 OD1 ASN A 181 -6.579 2.817 -4.933 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.945 2.950 -6.477 1.00 0.00 N ATOM 0 H ASN A 181 -7.662 1.002 -3.619 1.00 0.00 H new ATOM 0 HA ASN A 181 -5.418 -0.802 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -4.397 0.595 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.028 0.280 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -5.050 3.959 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -4.245 2.447 -7.023 1.00 0.00 H new ATOM 31 N ILE A 182 -5.943 1.292 -2.043 1.00 0.00 N ATOM 32 CA ILE A 182 -5.489 2.132 -0.948 1.00 0.00 C ATOM 33 C ILE A 182 -4.510 1.342 -0.077 1.00 0.00 C ATOM 34 O ILE A 182 -3.391 1.792 0.168 1.00 0.00 O ATOM 35 CB ILE A 182 -6.683 2.694 -0.175 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.384 3.797 -0.973 1.00 0.00 C ATOM 37 CG2 ILE A 182 -6.259 3.175 1.215 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.690 3.285 -1.583 1.00 0.00 C ATOM 0 H ILE A 182 -6.856 0.861 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.949 2.998 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.406 1.891 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.591 4.647 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.724 4.154 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -7.127 3.570 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.841 2.340 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.507 3.958 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.168 4.087 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.477 2.451 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.357 2.951 -0.788 1.00 0.00 H new ATOM 50 N THR A 183 -4.965 0.180 0.365 1.00 0.00 N ATOM 51 CA THR A 183 -4.143 -0.677 1.203 1.00 0.00 C ATOM 52 C THR A 183 -3.142 -1.456 0.349 1.00 0.00 C ATOM 53 O THR A 183 -1.985 -1.620 0.734 1.00 0.00 O ATOM 54 CB THR A 183 -5.074 -1.574 2.020 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.350 -1.824 3.220 1.00 0.00 O ATOM 56 CG2 THR A 183 -5.249 -2.960 1.394 1.00 0.00 C ATOM 0 H THR A 183 -5.893 -0.189 0.159 1.00 0.00 H new ATOM 0 HA THR A 183 -3.542 -0.091 1.898 1.00 0.00 H new ATOM 0 HB THR A 183 -6.048 -1.094 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 183 -4.882 -2.398 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.919 -3.557 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 183 -5.673 -2.857 0.395 1.00 0.00 H new ATOM 0 HG23 THR A 183 -4.280 -3.454 1.328 1.00 0.00 H new ATOM 64 N ILE A 184 -3.623 -1.918 -0.797 1.00 0.00 N ATOM 65 CA ILE A 184 -2.785 -2.677 -1.710 1.00 0.00 C ATOM 66 C ILE A 184 -1.578 -1.827 -2.113 1.00 0.00 C ATOM 67 O ILE A 184 -0.452 -2.321 -2.149 1.00 0.00 O ATOM 68 CB ILE A 184 -3.607 -3.182 -2.897 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.558 -4.301 -2.470 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.698 -3.612 -4.050 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.016 -3.843 -2.552 1.00 0.00 C ATOM 0 H ILE A 184 -4.583 -1.781 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.397 -3.569 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.222 -2.359 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.410 -5.172 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.327 -4.610 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.308 -3.967 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.098 -2.763 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.040 -4.413 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.671 -4.658 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.166 -2.987 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.251 -3.558 -3.578 1.00 0.00 H new ATOM 83 N LYS A 185 -1.855 -0.566 -2.407 1.00 0.00 N ATOM 84 CA LYS A 185 -0.806 0.357 -2.806 1.00 0.00 C ATOM 85 C LYS A 185 0.101 0.642 -1.607 1.00 0.00 C ATOM 86 O LYS A 185 1.266 0.998 -1.776 1.00 0.00 O ATOM 87 CB LYS A 185 -1.409 1.615 -3.434 1.00 0.00 C ATOM 88 CG LYS A 185 -0.313 2.555 -3.941 1.00 0.00 C ATOM 89 CD LYS A 185 -0.318 3.873 -3.164 1.00 0.00 C ATOM 90 CE LYS A 185 1.022 4.597 -3.303 1.00 0.00 C ATOM 91 NZ LYS A 185 1.294 5.420 -2.104 1.00 0.00 N ATOM 0 H LYS A 185 -2.791 -0.161 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.181 -0.089 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.064 1.336 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -2.026 2.133 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.660 2.073 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.462 2.754 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.121 4.513 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.522 3.678 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.822 3.870 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.010 5.230 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.208 5.904 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.539 6.126 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.327 4.809 -1.263 1.00 0.00 H new ATOM 105 N GLN A 186 -0.469 0.474 -0.423 1.00 0.00 N ATOM 106 CA GLN A 186 0.274 0.709 0.804 1.00 0.00 C ATOM 107 C GLN A 186 1.250 -0.441 1.062 1.00 0.00 C ATOM 108 O GLN A 186 2.457 -0.225 1.163 1.00 0.00 O ATOM 109 CB GLN A 186 -0.673 0.900 1.991 1.00 0.00 C ATOM 110 CG GLN A 186 -0.626 2.341 2.503 1.00 0.00 C ATOM 111 CD GLN A 186 0.111 2.422 3.842 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.305 2.664 3.908 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.666 2.209 4.900 1.00 0.00 N ATOM 0 H GLN A 186 -1.436 0.178 -0.287 1.00 0.00 H new ATOM 0 HA GLN A 186 0.848 1.628 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.691 0.649 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.398 0.216 2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.127 2.975 1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.640 2.723 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.659 2.012 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -0.269 2.243 5.839 1.00 0.00 H new ATOM 122 N HIS A 187 0.691 -1.638 1.162 1.00 0.00 N ATOM 123 CA HIS A 187 1.498 -2.822 1.406 1.00 0.00 C ATOM 124 C HIS A 187 2.569 -2.946 0.321 1.00 0.00 C ATOM 125 O HIS A 187 3.559 -3.653 0.499 1.00 0.00 O ATOM 126 CB HIS A 187 0.616 -4.067 1.514 1.00 0.00 C ATOM 127 CG HIS A 187 0.692 -4.760 2.853 1.00 0.00 C ATOM 128 ND1 HIS A 187 -0.404 -5.354 3.455 1.00 0.00 N ATOM 129 CD2 HIS A 187 1.745 -4.949 3.699 1.00 0.00 C ATOM 130 CE1 HIS A 187 -0.017 -5.872 4.611 1.00 0.00 C ATOM 131 NE2 HIS A 187 1.315 -5.620 4.761 1.00 0.00 N ATOM 0 H HIS A 187 -0.310 -1.814 1.079 1.00 0.00 H new ATOM 0 HA HIS A 187 2.010 -2.727 2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.419 -3.784 1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.904 -4.772 0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.757 -4.610 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -0.646 -6.401 5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 187 1.887 -5.901 5.558 1.00 0.00 H new ATOM 140 N THR A 188 2.333 -2.250 -0.781 1.00 0.00 N ATOM 141 CA THR A 188 3.265 -2.272 -1.895 1.00 0.00 C ATOM 142 C THR A 188 4.375 -1.241 -1.685 1.00 0.00 C ATOM 143 O THR A 188 5.446 -1.345 -2.280 1.00 0.00 O ATOM 144 CB THR A 188 2.468 -2.054 -3.183 1.00 0.00 C ATOM 145 OG1 THR A 188 1.543 -3.137 -3.207 1.00 0.00 O ATOM 146 CG2 THR A 188 3.317 -2.261 -4.439 1.00 0.00 C ATOM 0 H THR A 188 1.509 -1.667 -0.926 1.00 0.00 H new ATOM 0 HA THR A 188 3.771 -3.235 -1.967 1.00 0.00 H new ATOM 0 HB THR A 188 2.054 -1.046 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.632 -2.791 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.704 -2.094 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.149 -1.557 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.704 -3.280 -4.453 1.00 0.00 H new ATOM 154 N VAL A 189 4.081 -0.268 -0.834 1.00 0.00 N ATOM 155 CA VAL A 189 5.040 0.781 -0.537 1.00 0.00 C ATOM 156 C VAL A 189 6.199 0.194 0.271 1.00 0.00 C ATOM 157 O VAL A 189 7.217 0.854 0.473 1.00 0.00 O ATOM 158 CB VAL A 189 4.343 1.942 0.175 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.363 2.926 0.750 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.364 2.653 -0.763 1.00 0.00 C ATOM 0 H VAL A 189 3.192 -0.185 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 189 5.459 1.186 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 189 3.771 1.529 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.840 3.741 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.002 2.410 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 189 5.975 3.329 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 189 2.882 3.474 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 189 3.905 3.046 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.607 1.946 -1.102 1.00 0.00 H new ATOM 170 N THR A 190 6.004 -1.040 0.712 1.00 0.00 N ATOM 171 CA THR A 190 7.020 -1.724 1.494 1.00 0.00 C ATOM 172 C THR A 190 8.238 -2.043 0.624 1.00 0.00 C ATOM 173 O THR A 190 9.314 -1.482 0.827 1.00 0.00 O ATOM 174 CB THR A 190 6.380 -2.965 2.119 1.00 0.00 C ATOM 175 OG1 THR A 190 5.573 -2.445 3.173 1.00 0.00 O ATOM 176 CG2 THR A 190 7.400 -3.853 2.835 1.00 0.00 C ATOM 0 H THR A 190 5.158 -1.584 0.543 1.00 0.00 H new ATOM 0 HA THR A 190 7.391 -1.090 2.300 1.00 0.00 H new ATOM 0 HB THR A 190 5.877 -3.543 1.344 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.119 -3.182 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.893 -4.719 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.154 -4.187 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.880 -3.286 3.632 1.00 0.00 H new ATOM 184 N THR A 191 8.027 -2.940 -0.327 1.00 0.00 N ATOM 185 CA THR A 191 9.095 -3.340 -1.228 1.00 0.00 C ATOM 186 C THR A 191 9.175 -2.381 -2.418 1.00 0.00 C ATOM 187 O THR A 191 9.239 -2.815 -3.567 1.00 0.00 O ATOM 188 CB THR A 191 8.849 -4.794 -1.636 1.00 0.00 C ATOM 189 OG1 THR A 191 9.102 -5.536 -0.447 1.00 0.00 O ATOM 190 CG2 THR A 191 9.897 -5.310 -2.626 1.00 0.00 C ATOM 0 H THR A 191 7.133 -3.401 -0.494 1.00 0.00 H new ATOM 0 HA THR A 191 10.067 -3.284 -0.739 1.00 0.00 H new ATOM 0 HB THR A 191 7.856 -4.884 -2.078 1.00 0.00 H new ATOM 0 HG1 THR A 191 8.964 -6.490 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 191 9.676 -6.346 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 191 9.876 -4.700 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 191 10.886 -5.252 -2.172 1.00 0.00 H new ATOM 198 N THR A 192 9.170 -1.094 -2.100 1.00 0.00 N ATOM 199 CA THR A 192 9.242 -0.069 -3.129 1.00 0.00 C ATOM 200 C THR A 192 9.437 1.309 -2.495 1.00 0.00 C ATOM 201 O THR A 192 10.178 2.138 -3.020 1.00 0.00 O ATOM 202 CB THR A 192 7.979 -0.171 -3.986 1.00 0.00 C ATOM 203 OG1 THR A 192 8.405 -0.872 -5.151 1.00 0.00 O ATOM 204 CG2 THR A 192 7.521 1.189 -4.516 1.00 0.00 C ATOM 0 H THR A 192 9.117 -0.738 -1.146 1.00 0.00 H new ATOM 0 HA THR A 192 10.105 -0.218 -3.778 1.00 0.00 H new ATOM 0 HB THR A 192 7.178 -0.621 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.904 -1.673 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.621 1.061 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.306 1.852 -3.678 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.309 1.624 -5.130 1.00 0.00 H new ATOM 212 N THR A 193 8.759 1.511 -1.374 1.00 0.00 N ATOM 213 CA THR A 193 8.848 2.775 -0.664 1.00 0.00 C ATOM 214 C THR A 193 8.683 3.946 -1.635 1.00 0.00 C ATOM 215 O THR A 193 9.475 4.887 -1.619 1.00 0.00 O ATOM 216 CB THR A 193 10.177 2.798 0.095 1.00 0.00 C ATOM 217 OG1 THR A 193 10.196 4.076 0.723 1.00 0.00 O ATOM 218 CG2 THR A 193 11.386 2.826 -0.842 1.00 0.00 C ATOM 0 H THR A 193 8.146 0.820 -0.941 1.00 0.00 H new ATOM 0 HA THR A 193 8.041 2.879 0.061 1.00 0.00 H new ATOM 0 HB THR A 193 10.240 1.924 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 193 10.181 4.777 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.303 2.842 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.376 1.939 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.341 3.718 -1.467 1.00 0.00 H new ATOM 226 N LYS A 194 7.647 3.850 -2.456 1.00 0.00 N ATOM 227 CA LYS A 194 7.368 4.889 -3.432 1.00 0.00 C ATOM 228 C LYS A 194 7.253 6.237 -2.717 1.00 0.00 C ATOM 229 O LYS A 194 6.652 6.326 -1.647 1.00 0.00 O ATOM 230 CB LYS A 194 6.135 4.527 -4.262 1.00 0.00 C ATOM 231 CG LYS A 194 6.041 5.401 -5.515 1.00 0.00 C ATOM 232 CD LYS A 194 7.026 4.930 -6.588 1.00 0.00 C ATOM 233 CE LYS A 194 7.117 5.942 -7.731 1.00 0.00 C ATOM 234 NZ LYS A 194 8.486 6.496 -7.826 1.00 0.00 N ATOM 0 H LYS A 194 6.991 3.069 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 194 8.190 4.974 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.181 3.477 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.236 4.653 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 194 5.025 5.369 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 194 6.250 6.439 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 194 8.011 4.787 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 194 6.709 3.963 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 194 6.847 5.462 -8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 194 6.402 6.749 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 8.530 7.181 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 8.731 6.972 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 9.161 5.725 -8.004 1.00 0.00 H new ATOM 248 N GLY A 195 7.837 7.252 -3.336 1.00 0.00 N ATOM 249 CA GLY A 195 7.808 8.590 -2.771 1.00 0.00 C ATOM 250 C GLY A 195 9.076 9.365 -3.132 1.00 0.00 C ATOM 251 O GLY A 195 9.127 10.036 -4.162 1.00 0.00 O ATOM 0 H GLY A 195 8.333 7.175 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 195 6.933 9.125 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 195 7.711 8.529 -1.687 1.00 0.00 H new TER 255 GLY A 195