USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 180 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 173 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.57) USER MOD Single : A 177 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.028) 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= -0.71 K(o=-0.71,f=-4.2!) USER MOD Single : A 187 HIS :FLIP no HD1:sc= -1.21 F(o=-3.4,f=-1.2) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 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 112:sc= 0.987 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 173 16.429 -2.406 1.517 1.00 0.00 N ATOM 2 CA ASN A 173 15.758 -2.774 2.752 1.00 0.00 C ATOM 3 C ASN A 173 14.789 -1.659 3.153 1.00 0.00 C ATOM 4 O ASN A 173 13.591 -1.894 3.294 1.00 0.00 O ATOM 5 CB ASN A 173 16.762 -2.960 3.891 1.00 0.00 C ATOM 6 CG ASN A 173 16.669 -4.368 4.480 1.00 0.00 C ATOM 7 OD1 ASN A 173 15.968 -4.620 5.447 1.00 0.00 O ATOM 8 ND2 ASN A 173 17.412 -5.270 3.845 1.00 0.00 N ATOM 0 HA ASN A 173 15.229 -3.712 2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 173 17.772 -2.782 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 173 16.573 -2.223 4.671 1.00 0.00 H new ATOM 0 HD21 ASN A 173 17.418 -6.240 4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 173 17.976 -4.992 3.042 1.00 0.00 H new ATOM 15 N ASN A 174 15.347 -0.469 3.325 1.00 0.00 N ATOM 16 CA ASN A 174 14.547 0.682 3.708 1.00 0.00 C ATOM 17 C ASN A 174 13.712 1.139 2.510 1.00 0.00 C ATOM 18 O ASN A 174 12.484 1.081 2.548 1.00 0.00 O ATOM 19 CB ASN A 174 15.436 1.852 4.136 1.00 0.00 C ATOM 20 CG ASN A 174 16.475 1.403 5.165 1.00 0.00 C ATOM 21 OD1 ASN A 174 16.281 0.454 5.908 1.00 0.00 O ATOM 22 ND2 ASN A 174 17.586 2.134 5.167 1.00 0.00 N ATOM 0 H ASN A 174 16.342 -0.278 3.206 1.00 0.00 H new ATOM 0 HA ASN A 174 13.910 0.387 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 174 15.939 2.269 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 174 14.820 2.646 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 174 18.340 1.913 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 174 17.684 2.915 4.518 1.00 0.00 H new ATOM 29 N PHE A 175 14.412 1.581 1.475 1.00 0.00 N ATOM 30 CA PHE A 175 13.749 2.046 0.268 1.00 0.00 C ATOM 31 C PHE A 175 12.607 1.108 -0.127 1.00 0.00 C ATOM 32 O PHE A 175 11.615 1.543 -0.710 1.00 0.00 O ATOM 33 CB PHE A 175 14.799 2.049 -0.845 1.00 0.00 C ATOM 34 CG PHE A 175 15.810 0.904 -0.750 1.00 0.00 C ATOM 35 CD1 PHE A 175 15.494 -0.324 -1.243 1.00 0.00 C ATOM 36 CD2 PHE A 175 17.023 1.114 -0.174 1.00 0.00 C ATOM 37 CE1 PHE A 175 16.432 -1.386 -1.156 1.00 0.00 C ATOM 38 CE2 PHE A 175 17.961 0.052 -0.086 1.00 0.00 C ATOM 39 CZ PHE A 175 17.645 -1.176 -0.579 1.00 0.00 C ATOM 0 H PHE A 175 15.431 1.627 1.447 1.00 0.00 H new ATOM 0 HA PHE A 175 13.328 3.038 0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 175 14.292 1.994 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.336 2.997 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 175 14.530 -0.491 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 175 17.273 2.089 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 175 16.182 -2.361 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 175 18.925 0.219 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 175 18.358 -1.984 -0.512 1.00 0.00 H new ATOM 49 N VAL A 176 12.785 -0.162 0.205 1.00 0.00 N ATOM 50 CA VAL A 176 11.782 -1.166 -0.107 1.00 0.00 C ATOM 51 C VAL A 176 10.625 -1.052 0.889 1.00 0.00 C ATOM 52 O VAL A 176 9.478 -0.854 0.493 1.00 0.00 O ATOM 53 CB VAL A 176 12.420 -2.556 -0.125 1.00 0.00 C ATOM 54 CG1 VAL A 176 11.398 -3.633 0.245 1.00 0.00 C ATOM 55 CG2 VAL A 176 13.056 -2.849 -1.486 1.00 0.00 C ATOM 0 H VAL A 176 13.610 -0.519 0.687 1.00 0.00 H new ATOM 0 HA VAL A 176 11.372 -0.999 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 176 13.210 -2.572 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 176 11.877 -4.612 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 176 11.011 -3.439 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.576 -3.616 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 176 13.503 -3.843 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 176 12.292 -2.805 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 176 13.827 -2.108 -1.694 1.00 0.00 H new ATOM 65 N HIS A 177 10.968 -1.183 2.162 1.00 0.00 N ATOM 66 CA HIS A 177 9.974 -1.098 3.218 1.00 0.00 C ATOM 67 C HIS A 177 9.073 0.116 2.977 1.00 0.00 C ATOM 68 O HIS A 177 7.899 0.105 3.343 1.00 0.00 O ATOM 69 CB HIS A 177 10.642 -1.077 4.594 1.00 0.00 C ATOM 70 CG HIS A 177 9.694 -1.340 5.740 1.00 0.00 C ATOM 71 ND1 HIS A 177 9.997 -1.017 7.051 1.00 0.00 N ATOM 72 CD2 HIS A 177 8.449 -1.896 5.758 1.00 0.00 C ATOM 73 CE1 HIS A 177 8.974 -1.368 7.816 1.00 0.00 C ATOM 74 NE2 HIS A 177 8.015 -1.912 7.012 1.00 0.00 N ATOM 0 H HIS A 177 11.921 -1.347 2.486 1.00 0.00 H new ATOM 0 HA HIS A 177 9.342 -1.986 3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.435 -1.824 4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 177 11.115 -0.106 4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 177 7.908 -2.261 4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 177 8.910 -1.245 8.887 1.00 0.00 H new ATOM 0 HE2 HIS A 177 7.113 -2.272 7.324 1.00 0.00 H new ATOM 83 N ASP A 178 9.658 1.134 2.364 1.00 0.00 N ATOM 84 CA ASP A 178 8.923 2.353 2.069 1.00 0.00 C ATOM 85 C ASP A 178 8.050 2.132 0.833 1.00 0.00 C ATOM 86 O ASP A 178 6.914 2.599 0.779 1.00 0.00 O ATOM 87 CB ASP A 178 9.876 3.513 1.775 1.00 0.00 C ATOM 88 CG ASP A 178 9.349 4.897 2.158 1.00 0.00 C ATOM 89 OD1 ASP A 178 8.517 4.949 3.089 1.00 0.00 O ATOM 90 OD2 ASP A 178 9.791 5.871 1.512 1.00 0.00 O ATOM 0 H ASP A 178 10.633 1.140 2.063 1.00 0.00 H new ATOM 0 HA ASP A 178 8.314 2.598 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.812 3.338 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 178 10.108 3.511 0.710 1.00 0.00 H new ATOM 95 N CYS A 179 8.615 1.418 -0.131 1.00 0.00 N ATOM 96 CA CYS A 179 7.902 1.130 -1.363 1.00 0.00 C ATOM 97 C CYS A 179 6.715 0.223 -1.032 1.00 0.00 C ATOM 98 O CYS A 179 5.615 0.422 -1.543 1.00 0.00 O ATOM 99 CB CYS A 179 8.821 0.504 -2.415 1.00 0.00 C ATOM 100 SG CYS A 179 8.598 1.349 -4.023 1.00 0.00 S ATOM 0 H CYS A 179 9.558 1.031 -0.083 1.00 0.00 H new ATOM 0 HA CYS A 179 7.537 2.060 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.860 0.582 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.598 -0.558 -2.519 1.00 0.00 H new ATOM 0 HG CYS A 179 9.384 0.812 -4.908 1.00 0.00 H new ATOM 106 N VAL A 180 6.979 -0.753 -0.176 1.00 0.00 N ATOM 107 CA VAL A 180 5.946 -1.691 0.231 1.00 0.00 C ATOM 108 C VAL A 180 4.674 -0.920 0.587 1.00 0.00 C ATOM 109 O VAL A 180 3.698 -0.945 -0.161 1.00 0.00 O ATOM 110 CB VAL A 180 6.456 -2.566 1.379 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.353 -2.815 2.410 1.00 0.00 C ATOM 112 CG2 VAL A 180 7.023 -3.886 0.852 1.00 0.00 C ATOM 0 H VAL A 180 7.893 -0.915 0.247 1.00 0.00 H new ATOM 0 HA VAL A 180 5.698 -2.365 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 180 7.264 -2.029 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 180 5.741 -3.439 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.016 -1.863 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 180 4.515 -3.321 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 180 7.378 -4.489 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 180 6.243 -4.430 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 180 7.852 -3.681 0.174 1.00 0.00 H new ATOM 122 N ASN A 181 4.726 -0.251 1.730 1.00 0.00 N ATOM 123 CA ASN A 181 3.590 0.527 2.194 1.00 0.00 C ATOM 124 C ASN A 181 3.094 1.425 1.059 1.00 0.00 C ATOM 125 O ASN A 181 1.895 1.495 0.798 1.00 0.00 O ATOM 126 CB ASN A 181 3.980 1.425 3.371 1.00 0.00 C ATOM 127 CG ASN A 181 2.815 1.584 4.349 1.00 0.00 C ATOM 128 OD1 ASN A 181 1.742 2.053 4.004 1.00 0.00 O ATOM 129 ND2 ASN A 181 3.084 1.170 5.583 1.00 0.00 N ATOM 0 H ASN A 181 5.537 -0.232 2.348 1.00 0.00 H new ATOM 0 HA ASN A 181 2.814 -0.168 2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 181 4.839 0.999 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.285 2.404 3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.371 1.235 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 181 4.003 0.787 5.804 1.00 0.00 H new ATOM 136 N ILE A 182 4.043 2.089 0.416 1.00 0.00 N ATOM 137 CA ILE A 182 3.718 2.981 -0.686 1.00 0.00 C ATOM 138 C ILE A 182 2.847 2.235 -1.699 1.00 0.00 C ATOM 139 O ILE A 182 2.032 2.845 -2.389 1.00 0.00 O ATOM 140 CB ILE A 182 4.992 3.574 -1.289 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.639 4.574 -0.330 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.712 4.193 -2.660 1.00 0.00 C ATOM 143 CD1 ILE A 182 5.070 5.979 -0.535 1.00 0.00 C ATOM 0 H ILE A 182 5.037 2.028 0.636 1.00 0.00 H new ATOM 0 HA ILE A 182 3.137 3.831 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 182 5.707 2.765 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.471 4.257 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 182 6.717 4.588 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.634 4.608 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 182 4.330 3.426 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.972 4.987 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 182 5.548 6.670 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 182 5.261 6.303 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 182 3.995 5.966 -0.353 1.00 0.00 H new ATOM 155 N THR A 183 3.048 0.927 -1.754 1.00 0.00 N ATOM 156 CA THR A 183 2.291 0.092 -2.671 1.00 0.00 C ATOM 157 C THR A 183 0.993 -0.380 -2.015 1.00 0.00 C ATOM 158 O THR A 183 -0.037 -0.495 -2.678 1.00 0.00 O ATOM 159 CB THR A 183 3.197 -1.057 -3.122 1.00 0.00 C ATOM 160 OG1 THR A 183 2.940 -1.172 -4.519 1.00 0.00 O ATOM 161 CG2 THR A 183 2.759 -2.406 -2.551 1.00 0.00 C ATOM 0 H THR A 183 3.724 0.425 -1.179 1.00 0.00 H new ATOM 0 HA THR A 183 1.986 0.652 -3.555 1.00 0.00 H new ATOM 0 HB THR A 183 4.224 -0.851 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 183 3.487 -1.893 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 183 3.435 -3.186 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.785 -2.366 -1.462 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.745 -2.629 -2.882 1.00 0.00 H new ATOM 169 N ILE A 184 1.083 -0.643 -0.719 1.00 0.00 N ATOM 170 CA ILE A 184 -0.071 -1.100 0.035 1.00 0.00 C ATOM 171 C ILE A 184 -0.995 0.088 0.315 1.00 0.00 C ATOM 172 O ILE A 184 -2.130 -0.094 0.753 1.00 0.00 O ATOM 173 CB ILE A 184 0.373 -1.845 1.295 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.584 -2.996 1.618 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.530 -0.883 2.475 1.00 0.00 C ATOM 176 CD1 ILE A 184 0.169 -4.181 2.224 1.00 0.00 C ATOM 0 H ILE A 184 1.939 -0.548 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.646 -1.821 -0.547 1.00 0.00 H new ATOM 0 HB ILE A 184 1.352 -2.284 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -1.350 -2.653 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -1.097 -3.313 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 184 0.846 -1.439 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.279 -0.129 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.424 -0.395 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.534 -4.985 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 184 0.917 -4.537 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 184 0.661 -3.867 3.145 1.00 0.00 H new ATOM 188 N LYS A 185 -0.474 1.276 0.051 1.00 0.00 N ATOM 189 CA LYS A 185 -1.237 2.493 0.269 1.00 0.00 C ATOM 190 C LYS A 185 -2.704 2.240 -0.082 1.00 0.00 C ATOM 191 O LYS A 185 -3.575 2.308 0.784 1.00 0.00 O ATOM 192 CB LYS A 185 -0.614 3.661 -0.497 1.00 0.00 C ATOM 193 CG LYS A 185 -1.066 5.003 0.084 1.00 0.00 C ATOM 194 CD LYS A 185 0.136 5.875 0.449 1.00 0.00 C ATOM 195 CE LYS A 185 -0.160 7.354 0.186 1.00 0.00 C ATOM 196 NZ LYS A 185 1.016 8.018 -0.420 1.00 0.00 N ATOM 0 H LYS A 185 0.468 1.422 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.205 2.779 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.473 3.590 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.896 3.603 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.692 5.525 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.678 4.832 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 185 0.388 5.732 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 185 1.005 5.565 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.020 7.447 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.424 7.850 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.798 9.020 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.827 7.946 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.250 7.555 -1.321 1.00 0.00 H new ATOM 210 N GLN A 186 -2.933 1.953 -1.355 1.00 0.00 N ATOM 211 CA GLN A 186 -4.281 1.689 -1.832 1.00 0.00 C ATOM 212 C GLN A 186 -4.887 0.504 -1.079 1.00 0.00 C ATOM 213 O GLN A 186 -6.054 0.541 -0.692 1.00 0.00 O ATOM 214 CB GLN A 186 -4.289 1.442 -3.342 1.00 0.00 C ATOM 215 CG GLN A 186 -4.774 2.681 -4.098 1.00 0.00 C ATOM 216 CD GLN A 186 -6.259 2.938 -3.833 1.00 0.00 C ATOM 217 OE1 GLN A 186 -6.849 2.415 -2.902 1.00 0.00 O ATOM 218 NE2 GLN A 186 -6.827 3.771 -4.701 1.00 0.00 N ATOM 0 H GLN A 186 -2.209 1.897 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.894 2.569 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -3.286 1.177 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -4.935 0.595 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -4.191 3.550 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.610 2.547 -5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -6.274 4.174 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -7.815 4.007 -4.610 1.00 0.00 H new ATOM 227 N HIS A 187 -4.068 -0.522 -0.896 1.00 0.00 N ATOM 228 CA HIS A 187 -4.509 -1.716 -0.196 1.00 0.00 C ATOM 229 C HIS A 187 -5.399 -1.320 0.985 1.00 0.00 C ATOM 230 O HIS A 187 -6.594 -1.610 0.991 1.00 0.00 O ATOM 231 CB HIS A 187 -3.314 -2.574 0.224 1.00 0.00 C ATOM 232 CG HIS A 187 -3.641 -4.036 0.411 1.00 0.00 C ATOM 233 ND1 HIS A 187 -2.893 -5.060 0.912 1.00 0.00 N flip ATOM 234 CD2 HIS A 187 -4.865 -4.580 0.061 1.00 0.00 C flip ATOM 235 CE1 HIS A 187 -3.621 -6.169 0.874 1.00 0.00 C flip ATOM 236 NE2 HIS A 187 -4.843 -5.874 0.346 1.00 0.00 N flip ATOM 0 H HIS A 187 -3.101 -0.551 -1.221 1.00 0.00 H new ATOM 0 HA HIS A 187 -5.107 -2.334 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.531 -2.481 -0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -2.908 -2.181 1.156 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -5.696 -4.042 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -3.299 -7.145 1.207 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -5.606 -6.534 0.197 1.00 0.00 H new ATOM 245 N THR A 188 -4.781 -0.664 1.955 1.00 0.00 N ATOM 246 CA THR A 188 -5.502 -0.225 3.139 1.00 0.00 C ATOM 247 C THR A 188 -6.761 0.548 2.740 1.00 0.00 C ATOM 248 O THR A 188 -7.781 0.473 3.423 1.00 0.00 O ATOM 249 CB THR A 188 -4.538 0.589 4.004 1.00 0.00 C ATOM 250 OG1 THR A 188 -4.157 -0.312 5.041 1.00 0.00 O ATOM 251 CG2 THR A 188 -5.236 1.732 4.743 1.00 0.00 C ATOM 0 H THR A 188 -3.789 -0.425 1.946 1.00 0.00 H new ATOM 0 HA THR A 188 -5.852 -1.074 3.727 1.00 0.00 H new ATOM 0 HB THR A 188 -3.743 0.994 3.378 1.00 0.00 H new ATOM 0 HG1 THR A 188 -3.530 0.134 5.648 1.00 0.00 H new ATOM 0 HG21 THR A 188 -4.506 2.277 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 188 -5.690 2.409 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 188 -6.009 1.325 5.395 1.00 0.00 H new ATOM 259 N VAL A 189 -6.647 1.272 1.637 1.00 0.00 N ATOM 260 CA VAL A 189 -7.765 2.058 1.140 1.00 0.00 C ATOM 261 C VAL A 189 -8.500 1.264 0.057 1.00 0.00 C ATOM 262 O VAL A 189 -9.176 1.843 -0.791 1.00 0.00 O ATOM 263 CB VAL A 189 -7.268 3.419 0.649 1.00 0.00 C ATOM 264 CG1 VAL A 189 -8.431 4.400 0.487 1.00 0.00 C ATOM 265 CG2 VAL A 189 -6.200 3.984 1.587 1.00 0.00 C ATOM 0 H VAL A 189 -5.799 1.332 1.073 1.00 0.00 H new ATOM 0 HA VAL A 189 -8.479 2.255 1.939 1.00 0.00 H new ATOM 0 HB VAL A 189 -6.811 3.276 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -8.051 5.360 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -9.142 4.005 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -8.929 4.535 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -5.864 4.952 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -6.620 4.105 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.354 3.298 1.630 1.00 0.00 H new ATOM 275 N THR A 190 -8.341 -0.050 0.124 1.00 0.00 N ATOM 276 CA THR A 190 -8.982 -0.930 -0.841 1.00 0.00 C ATOM 277 C THR A 190 -9.909 -1.917 -0.127 1.00 0.00 C ATOM 278 O THR A 190 -11.117 -1.915 -0.356 1.00 0.00 O ATOM 279 CB THR A 190 -7.884 -1.611 -1.660 1.00 0.00 C ATOM 280 OG1 THR A 190 -7.966 -0.985 -2.938 1.00 0.00 O ATOM 281 CG2 THR A 190 -8.194 -3.082 -1.947 1.00 0.00 C ATOM 0 H THR A 190 -7.779 -0.526 0.830 1.00 0.00 H new ATOM 0 HA THR A 190 -9.619 -0.371 -1.526 1.00 0.00 H new ATOM 0 HB THR A 190 -6.936 -1.537 -1.128 1.00 0.00 H new ATOM 0 HG1 THR A 190 -7.287 -1.366 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.383 -3.518 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 190 -8.295 -3.623 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 190 -9.125 -3.155 -2.509 1.00 0.00 H new ATOM 289 N THR A 191 -9.306 -2.737 0.721 1.00 0.00 N ATOM 290 CA THR A 191 -10.063 -3.728 1.467 1.00 0.00 C ATOM 291 C THR A 191 -11.223 -3.063 2.212 1.00 0.00 C ATOM 292 O THR A 191 -12.321 -3.614 2.275 1.00 0.00 O ATOM 293 CB THR A 191 -9.092 -4.466 2.391 1.00 0.00 C ATOM 294 OG1 THR A 191 -8.603 -5.542 1.594 1.00 0.00 O ATOM 295 CG2 THR A 191 -9.804 -5.159 3.556 1.00 0.00 C ATOM 0 H THR A 191 -8.303 -2.736 0.908 1.00 0.00 H new ATOM 0 HA THR A 191 -10.522 -4.459 0.801 1.00 0.00 H new ATOM 0 HB THR A 191 -8.357 -3.762 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 191 -7.965 -6.072 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 191 -9.070 -5.667 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 191 -10.335 -4.416 4.152 1.00 0.00 H new ATOM 0 HG23 THR A 191 -10.515 -5.887 3.166 1.00 0.00 H new ATOM 303 N THR A 192 -10.939 -1.889 2.757 1.00 0.00 N ATOM 304 CA THR A 192 -11.945 -1.143 3.493 1.00 0.00 C ATOM 305 C THR A 192 -13.109 -0.765 2.575 1.00 0.00 C ATOM 306 O THR A 192 -14.202 -1.315 2.694 1.00 0.00 O ATOM 307 CB THR A 192 -11.261 0.064 4.137 1.00 0.00 C ATOM 308 OG1 THR A 192 -9.892 -0.320 4.229 1.00 0.00 O ATOM 309 CG2 THR A 192 -11.688 0.273 5.591 1.00 0.00 C ATOM 0 H THR A 192 -10.027 -1.436 2.703 1.00 0.00 H new ATOM 0 HA THR A 192 -12.384 -1.748 4.287 1.00 0.00 H new ATOM 0 HB THR A 192 -11.489 0.960 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 192 -9.358 0.223 3.612 1.00 0.00 H new ATOM 0 HG21 THR A 192 -11.173 1.142 6.000 1.00 0.00 H new ATOM 0 HG22 THR A 192 -12.765 0.436 5.634 1.00 0.00 H new ATOM 0 HG23 THR A 192 -11.431 -0.610 6.176 1.00 0.00 H new ATOM 317 N THR A 193 -12.833 0.170 1.678 1.00 0.00 N ATOM 318 CA THR A 193 -13.842 0.628 0.739 1.00 0.00 C ATOM 319 C THR A 193 -13.829 -0.237 -0.522 1.00 0.00 C ATOM 320 O THR A 193 -14.817 -0.902 -0.833 1.00 0.00 O ATOM 321 CB THR A 193 -13.591 2.112 0.462 1.00 0.00 C ATOM 322 OG1 THR A 193 -14.791 2.753 0.885 1.00 0.00 O ATOM 323 CG2 THR A 193 -13.512 2.422 -1.035 1.00 0.00 C ATOM 0 H THR A 193 -11.924 0.623 1.582 1.00 0.00 H new ATOM 0 HA THR A 193 -14.845 0.525 1.154 1.00 0.00 H new ATOM 0 HB THR A 193 -12.665 2.420 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 193 -14.713 3.719 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 193 -13.333 3.488 -1.177 1.00 0.00 H new ATOM 0 HG22 THR A 193 -12.696 1.854 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 193 -14.451 2.145 -1.514 1.00 0.00 H new ATOM 331 N LYS A 194 -12.700 -0.201 -1.214 1.00 0.00 N ATOM 332 CA LYS A 194 -12.546 -0.973 -2.435 1.00 0.00 C ATOM 333 C LYS A 194 -13.380 -0.333 -3.548 1.00 0.00 C ATOM 334 O LYS A 194 -14.595 -0.516 -3.600 1.00 0.00 O ATOM 335 CB LYS A 194 -12.882 -2.445 -2.184 1.00 0.00 C ATOM 336 CG LYS A 194 -11.749 -3.355 -2.663 1.00 0.00 C ATOM 337 CD LYS A 194 -12.304 -4.633 -3.294 1.00 0.00 C ATOM 338 CE LYS A 194 -12.055 -4.652 -4.804 1.00 0.00 C ATOM 339 NZ LYS A 194 -10.667 -5.075 -5.096 1.00 0.00 N ATOM 0 H LYS A 194 -11.883 0.351 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 194 -11.508 -0.958 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -13.057 -2.606 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -13.805 -2.704 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -11.133 -2.824 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -11.103 -3.610 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -11.836 -5.503 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -13.374 -4.705 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -12.757 -5.332 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -12.234 -3.661 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -10.515 -5.082 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -10.001 -4.411 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -10.508 -6.030 -4.716 1.00 0.00 H new ATOM 353 N GLY A 195 -12.693 0.402 -4.409 1.00 0.00 N ATOM 354 CA GLY A 195 -13.354 1.070 -5.517 1.00 0.00 C ATOM 355 C GLY A 195 -14.401 0.158 -6.161 1.00 0.00 C ATOM 356 O GLY A 195 -14.185 -1.045 -6.289 1.00 0.00 O ATOM 0 H GLY A 195 -11.685 0.550 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.831 1.984 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -12.615 1.364 -6.262 1.00 0.00 H new TER 360 GLY A 195