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 Set 1.1: A 187 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-1.7) USER MOD Set 1.2: A 191 THR OG1 : rot -170:sc= 0 USER MOD Single : A 173 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc=-0.00919 X(o=-0.0092,f=-0.0092) USER MOD Single : A 177 HIS :FLIP no HE2:sc= 0.0792 F(o=-0.56,f=0.079) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.075) 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= -0.367 X(o=-0.37,f=-0.22) 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 192 THR OG1 : rot 180:sc= 0 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 16.020 -3.298 1.738 1.00 0.00 N ATOM 2 CA ASN A 173 15.248 -3.522 2.949 1.00 0.00 C ATOM 3 C ASN A 173 14.463 -2.255 3.292 1.00 0.00 C ATOM 4 O ASN A 173 13.247 -2.302 3.466 1.00 0.00 O ATOM 5 CB ASN A 173 16.163 -3.846 4.133 1.00 0.00 C ATOM 6 CG ASN A 173 15.814 -5.206 4.739 1.00 0.00 C ATOM 7 OD1 ASN A 173 14.963 -5.330 5.604 1.00 0.00 O ATOM 8 ND2 ASN A 173 16.518 -6.218 4.239 1.00 0.00 N ATOM 0 HA ASN A 173 14.577 -4.362 2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 173 17.202 -3.846 3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 173 16.069 -3.070 4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 173 16.360 -7.167 4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 173 17.216 -6.045 3.516 1.00 0.00 H new ATOM 15 N ASN A 174 15.191 -1.151 3.377 1.00 0.00 N ATOM 16 CA ASN A 174 14.578 0.128 3.696 1.00 0.00 C ATOM 17 C ASN A 174 13.807 0.636 2.476 1.00 0.00 C ATOM 18 O ASN A 174 12.582 0.736 2.511 1.00 0.00 O ATOM 19 CB ASN A 174 15.638 1.172 4.055 1.00 0.00 C ATOM 20 CG ASN A 174 16.589 0.642 5.129 1.00 0.00 C ATOM 21 OD1 ASN A 174 17.730 0.297 4.869 1.00 0.00 O ATOM 22 ND2 ASN A 174 16.058 0.597 6.347 1.00 0.00 N ATOM 0 H ASN A 174 16.200 -1.116 3.231 1.00 0.00 H new ATOM 0 HA ASN A 174 13.914 -0.018 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 174 16.205 1.441 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 174 15.152 2.081 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 174 16.613 0.258 7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 174 15.096 0.901 6.495 1.00 0.00 H new ATOM 29 N PHE A 175 14.556 0.943 1.428 1.00 0.00 N ATOM 30 CA PHE A 175 13.957 1.439 0.200 1.00 0.00 C ATOM 31 C PHE A 175 12.691 0.652 -0.148 1.00 0.00 C ATOM 32 O PHE A 175 11.734 1.214 -0.679 1.00 0.00 O ATOM 33 CB PHE A 175 14.988 1.240 -0.912 1.00 0.00 C ATOM 34 CG PHE A 175 15.723 -0.101 -0.848 1.00 0.00 C ATOM 35 CD1 PHE A 175 15.221 -1.183 -1.501 1.00 0.00 C ATOM 36 CD2 PHE A 175 16.879 -0.210 -0.139 1.00 0.00 C ATOM 37 CE1 PHE A 175 15.902 -2.427 -1.442 1.00 0.00 C ATOM 38 CE2 PHE A 175 17.560 -1.454 -0.080 1.00 0.00 C ATOM 39 CZ PHE A 175 17.058 -2.537 -0.732 1.00 0.00 C ATOM 0 H PHE A 175 15.572 0.858 1.403 1.00 0.00 H new ATOM 0 HA PHE A 175 13.681 2.487 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 175 14.487 1.322 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.720 2.046 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 175 14.304 -1.096 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 175 17.278 0.650 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 175 15.503 -3.286 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 175 18.478 -1.541 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 175 17.576 -3.483 -0.686 1.00 0.00 H new ATOM 49 N VAL A 176 12.729 -0.635 0.163 1.00 0.00 N ATOM 50 CA VAL A 176 11.596 -1.503 -0.111 1.00 0.00 C ATOM 51 C VAL A 176 10.458 -1.171 0.856 1.00 0.00 C ATOM 52 O VAL A 176 9.319 -0.975 0.436 1.00 0.00 O ATOM 53 CB VAL A 176 12.032 -2.969 -0.041 1.00 0.00 C ATOM 54 CG1 VAL A 176 10.864 -3.868 0.371 1.00 0.00 C ATOM 55 CG2 VAL A 176 12.634 -3.426 -1.371 1.00 0.00 C ATOM 0 H VAL A 176 13.525 -1.098 0.602 1.00 0.00 H new ATOM 0 HA VAL A 176 11.222 -1.336 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 176 12.805 -3.053 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 176 11.200 -4.904 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 176 10.500 -3.564 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.060 -3.777 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 176 12.935 -4.471 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 176 11.892 -3.320 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 176 13.505 -2.814 -1.606 1.00 0.00 H new ATOM 65 N HIS A 177 10.806 -1.118 2.133 1.00 0.00 N ATOM 66 CA HIS A 177 9.828 -0.812 3.163 1.00 0.00 C ATOM 67 C HIS A 177 9.003 0.405 2.743 1.00 0.00 C ATOM 68 O HIS A 177 7.836 0.526 3.112 1.00 0.00 O ATOM 69 CB HIS A 177 10.509 -0.627 4.521 1.00 0.00 C ATOM 70 CG HIS A 177 9.562 -0.686 5.696 1.00 0.00 C ATOM 71 ND1 HIS A 177 8.200 -0.744 5.741 1.00 0.00 N flip ATOM 72 CD2 HIS A 177 9.997 -0.688 7.010 1.00 0.00 C flip ATOM 73 CE1 HIS A 177 7.823 -0.782 7.013 1.00 0.00 C flip ATOM 74 NE2 HIS A 177 8.936 -0.746 7.801 1.00 0.00 N flip ATOM 0 H HIS A 177 11.752 -1.282 2.478 1.00 0.00 H new ATOM 0 HA HIS A 177 9.141 -1.651 3.277 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.270 -1.398 4.642 1.00 0.00 H new ATOM 0 HB3 HIS A 177 11.024 0.334 4.530 1.00 0.00 H new ATOM 0 HD1 HIS A 177 7.577 -0.756 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 177 11.026 -0.649 7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 177 6.804 -0.833 7.366 1.00 0.00 H new ATOM 83 N ASP A 178 9.642 1.277 1.975 1.00 0.00 N ATOM 84 CA ASP A 178 8.981 2.481 1.501 1.00 0.00 C ATOM 85 C ASP A 178 8.007 2.115 0.380 1.00 0.00 C ATOM 86 O ASP A 178 6.875 2.596 0.354 1.00 0.00 O ATOM 87 CB ASP A 178 9.995 3.480 0.939 1.00 0.00 C ATOM 88 CG ASP A 178 9.602 4.952 1.086 1.00 0.00 C ATOM 89 OD1 ASP A 178 8.399 5.238 0.900 1.00 0.00 O ATOM 90 OD2 ASP A 178 10.512 5.755 1.379 1.00 0.00 O ATOM 0 H ASP A 178 10.610 1.173 1.670 1.00 0.00 H new ATOM 0 HA ASP A 178 8.458 2.933 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.952 3.323 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 178 10.148 3.264 -0.118 1.00 0.00 H new ATOM 95 N CYS A 179 8.483 1.266 -0.520 1.00 0.00 N ATOM 96 CA CYS A 179 7.667 0.829 -1.641 1.00 0.00 C ATOM 97 C CYS A 179 6.479 0.037 -1.092 1.00 0.00 C ATOM 98 O CYS A 179 5.351 0.205 -1.551 1.00 0.00 O ATOM 99 CB CYS A 179 8.480 0.013 -2.647 1.00 0.00 C ATOM 100 SG CYS A 179 8.161 0.616 -4.346 1.00 0.00 S ATOM 0 H CYS A 179 9.422 0.869 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 179 7.301 1.698 -2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.543 0.092 -2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.215 -1.042 -2.571 1.00 0.00 H new ATOM 0 HG CYS A 179 8.858 -0.082 -5.192 1.00 0.00 H new ATOM 106 N VAL A 180 6.774 -0.809 -0.116 1.00 0.00 N ATOM 107 CA VAL A 180 5.743 -1.628 0.500 1.00 0.00 C ATOM 108 C VAL A 180 4.541 -0.750 0.849 1.00 0.00 C ATOM 109 O VAL A 180 3.510 -0.809 0.181 1.00 0.00 O ATOM 110 CB VAL A 180 6.317 -2.364 1.713 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.289 -2.441 2.844 1.00 0.00 C ATOM 112 CG2 VAL A 180 6.810 -3.760 1.324 1.00 0.00 C ATOM 0 H VAL A 180 7.711 -0.945 0.263 1.00 0.00 H new ATOM 0 HA VAL A 180 5.396 -2.393 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 180 7.173 -1.795 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 180 5.722 -2.969 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.007 -1.433 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 180 4.405 -2.976 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 180 7.213 -4.262 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 180 5.979 -4.341 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 180 7.589 -3.673 0.567 1.00 0.00 H new ATOM 122 N ASN A 181 4.712 0.047 1.894 1.00 0.00 N ATOM 123 CA ASN A 181 3.653 0.936 2.339 1.00 0.00 C ATOM 124 C ASN A 181 3.117 1.723 1.141 1.00 0.00 C ATOM 125 O ASN A 181 1.906 1.833 0.959 1.00 0.00 O ATOM 126 CB ASN A 181 4.174 1.941 3.369 1.00 0.00 C ATOM 127 CG ASN A 181 3.096 2.276 4.401 1.00 0.00 C ATOM 128 OD1 ASN A 181 1.993 2.683 4.076 1.00 0.00 O ATOM 129 ND2 ASN A 181 3.476 2.084 5.661 1.00 0.00 N ATOM 0 H ASN A 181 5.569 0.095 2.445 1.00 0.00 H new ATOM 0 HA ASN A 181 2.870 0.328 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 181 5.049 1.531 3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.495 2.852 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.829 2.280 6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 181 4.415 1.741 5.864 1.00 0.00 H new ATOM 136 N ILE A 182 4.045 2.249 0.356 1.00 0.00 N ATOM 137 CA ILE A 182 3.681 3.022 -0.819 1.00 0.00 C ATOM 138 C ILE A 182 2.705 2.211 -1.674 1.00 0.00 C ATOM 139 O ILE A 182 1.862 2.780 -2.368 1.00 0.00 O ATOM 140 CB ILE A 182 4.933 3.472 -1.574 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.666 4.577 -0.812 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.590 3.892 -3.005 1.00 0.00 C ATOM 143 CD1 ILE A 182 5.119 5.956 -1.186 1.00 0.00 C ATOM 0 H ILE A 182 5.049 2.155 0.511 1.00 0.00 H new ATOM 0 HA ILE A 182 3.167 3.938 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 182 5.613 2.623 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.558 4.417 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 182 6.732 4.532 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.498 4.207 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 182 4.147 3.049 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.881 4.719 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 182 5.657 6.724 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 182 5.251 6.122 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 182 4.058 6.006 -0.939 1.00 0.00 H new ATOM 155 N THR A 183 2.852 0.897 -1.599 1.00 0.00 N ATOM 156 CA THR A 183 1.993 0.003 -2.357 1.00 0.00 C ATOM 157 C THR A 183 0.714 -0.300 -1.575 1.00 0.00 C ATOM 158 O THR A 183 -0.366 -0.390 -2.156 1.00 0.00 O ATOM 159 CB THR A 183 2.803 -1.247 -2.705 1.00 0.00 C ATOM 160 OG1 THR A 183 2.446 -1.529 -4.056 1.00 0.00 O ATOM 161 CG2 THR A 183 2.335 -2.482 -1.932 1.00 0.00 C ATOM 0 H THR A 183 3.553 0.429 -1.025 1.00 0.00 H new ATOM 0 HA THR A 183 1.664 0.465 -3.288 1.00 0.00 H new ATOM 0 HB THR A 183 3.857 -1.065 -2.496 1.00 0.00 H new ATOM 0 HG1 THR A 183 2.928 -2.325 -4.362 1.00 0.00 H new ATOM 0 HG21 THR A 183 2.943 -3.341 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.439 -2.302 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.290 -2.684 -2.167 1.00 0.00 H new ATOM 169 N ILE A 184 0.878 -0.448 -0.269 1.00 0.00 N ATOM 170 CA ILE A 184 -0.251 -0.738 0.599 1.00 0.00 C ATOM 171 C ILE A 184 -1.105 0.521 0.756 1.00 0.00 C ATOM 172 O ILE A 184 -2.240 0.451 1.224 1.00 0.00 O ATOM 173 CB ILE A 184 0.232 -1.324 1.927 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.743 -2.383 2.447 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.480 -0.218 2.956 1.00 0.00 C ATOM 176 CD1 ILE A 184 -0.051 -3.330 3.429 1.00 0.00 C ATOM 0 H ILE A 184 1.776 -0.373 0.210 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.889 -1.501 0.153 1.00 0.00 H new ATOM 0 HB ILE A 184 1.186 -1.823 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -1.586 -1.897 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -1.147 -2.953 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 184 0.823 -0.661 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.240 0.466 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.446 0.330 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.766 -4.073 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 184 0.776 -3.833 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 184 0.330 -2.760 4.276 1.00 0.00 H new ATOM 188 N LYS A 185 -0.526 1.644 0.356 1.00 0.00 N ATOM 189 CA LYS A 185 -1.220 2.917 0.447 1.00 0.00 C ATOM 190 C LYS A 185 -2.699 2.711 0.115 1.00 0.00 C ATOM 191 O LYS A 185 -3.564 2.914 0.966 1.00 0.00 O ATOM 192 CB LYS A 185 -0.532 3.966 -0.430 1.00 0.00 C ATOM 193 CG LYS A 185 -0.909 5.381 0.012 1.00 0.00 C ATOM 194 CD LYS A 185 -0.102 5.807 1.240 1.00 0.00 C ATOM 195 CE LYS A 185 1.252 6.389 0.832 1.00 0.00 C ATOM 196 NZ LYS A 185 1.514 7.651 1.559 1.00 0.00 N ATOM 0 H LYS A 185 0.416 1.698 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.173 3.305 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.549 3.840 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.817 3.818 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.731 6.080 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.974 5.423 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.663 6.548 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.050 4.949 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 185 2.043 5.669 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.267 6.572 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.437 8.033 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.769 8.341 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.520 7.467 2.583 1.00 0.00 H new ATOM 210 N GLN A 186 -2.944 2.312 -1.124 1.00 0.00 N ATOM 211 CA GLN A 186 -4.303 2.077 -1.580 1.00 0.00 C ATOM 212 C GLN A 186 -4.861 0.800 -0.948 1.00 0.00 C ATOM 213 O GLN A 186 -6.036 0.744 -0.586 1.00 0.00 O ATOM 214 CB GLN A 186 -4.366 2.006 -3.107 1.00 0.00 C ATOM 215 CG GLN A 186 -4.751 3.361 -3.703 1.00 0.00 C ATOM 216 CD GLN A 186 -6.209 3.705 -3.387 1.00 0.00 C ATOM 217 OE1 GLN A 186 -7.140 3.141 -3.938 1.00 0.00 O ATOM 218 NE2 GLN A 186 -6.353 4.659 -2.472 1.00 0.00 N ATOM 0 H GLN A 186 -2.224 2.145 -1.827 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.922 2.917 -1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -3.399 1.693 -3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -5.092 1.252 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -4.096 4.136 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.604 3.342 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -5.530 5.090 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -7.286 4.960 -2.192 1.00 0.00 H new ATOM 227 N HIS A 187 -3.993 -0.195 -0.836 1.00 0.00 N ATOM 228 CA HIS A 187 -4.384 -1.468 -0.256 1.00 0.00 C ATOM 229 C HIS A 187 -5.316 -1.225 0.933 1.00 0.00 C ATOM 230 O HIS A 187 -6.483 -1.612 0.902 1.00 0.00 O ATOM 231 CB HIS A 187 -3.153 -2.296 0.116 1.00 0.00 C ATOM 232 CG HIS A 187 -3.467 -3.720 0.510 1.00 0.00 C ATOM 233 ND1 HIS A 187 -4.761 -4.201 0.615 1.00 0.00 N ATOM 234 CD2 HIS A 187 -2.643 -4.761 0.821 1.00 0.00 C ATOM 235 CE1 HIS A 187 -4.705 -5.475 0.975 1.00 0.00 C ATOM 236 NE2 HIS A 187 -3.392 -5.820 1.102 1.00 0.00 N ATOM 0 H HIS A 187 -3.020 -0.145 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 187 -4.935 -2.053 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.466 -2.307 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -2.635 -1.807 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -1.564 -4.729 0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -5.551 -6.126 1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -3.043 -6.740 1.369 1.00 0.00 H new ATOM 245 N THR A 188 -4.765 -0.584 1.954 1.00 0.00 N ATOM 246 CA THR A 188 -5.533 -0.284 3.152 1.00 0.00 C ATOM 247 C THR A 188 -6.848 0.406 2.783 1.00 0.00 C ATOM 248 O THR A 188 -7.874 0.175 3.421 1.00 0.00 O ATOM 249 CB THR A 188 -4.650 0.549 4.083 1.00 0.00 C ATOM 250 OG1 THR A 188 -4.242 -0.372 5.091 1.00 0.00 O ATOM 251 CG2 THR A 188 -5.443 1.610 4.847 1.00 0.00 C ATOM 0 H THR A 188 -3.797 -0.264 1.977 1.00 0.00 H new ATOM 0 HA THR A 188 -5.817 -1.195 3.679 1.00 0.00 H new ATOM 0 HB THR A 188 -3.864 1.032 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 188 -3.664 0.085 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 188 -4.769 2.173 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 188 -5.918 2.289 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 188 -6.208 1.126 5.454 1.00 0.00 H new ATOM 259 N VAL A 189 -6.774 1.239 1.755 1.00 0.00 N ATOM 260 CA VAL A 189 -7.947 1.964 1.295 1.00 0.00 C ATOM 261 C VAL A 189 -8.625 1.170 0.176 1.00 0.00 C ATOM 262 O VAL A 189 -9.378 1.730 -0.619 1.00 0.00 O ATOM 263 CB VAL A 189 -7.551 3.379 0.868 1.00 0.00 C ATOM 264 CG1 VAL A 189 -8.790 4.224 0.559 1.00 0.00 C ATOM 265 CG2 VAL A 189 -6.683 4.051 1.933 1.00 0.00 C ATOM 0 H VAL A 189 -5.921 1.428 1.228 1.00 0.00 H new ATOM 0 HA VAL A 189 -8.672 2.072 2.102 1.00 0.00 H new ATOM 0 HB VAL A 189 -6.960 3.301 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -8.482 5.225 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -9.355 3.760 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -9.417 4.289 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -6.416 5.055 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -7.238 4.111 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.776 3.466 2.086 1.00 0.00 H new ATOM 275 N THR A 190 -8.335 -0.122 0.152 1.00 0.00 N ATOM 276 CA THR A 190 -8.908 -1.000 -0.855 1.00 0.00 C ATOM 277 C THR A 190 -9.718 -2.116 -0.192 1.00 0.00 C ATOM 278 O THR A 190 -10.922 -2.230 -0.414 1.00 0.00 O ATOM 279 CB THR A 190 -7.769 -1.515 -1.736 1.00 0.00 C ATOM 280 OG1 THR A 190 -7.933 -0.811 -2.964 1.00 0.00 O ATOM 281 CG2 THR A 190 -7.948 -2.985 -2.122 1.00 0.00 C ATOM 0 H THR A 190 -7.710 -0.583 0.814 1.00 0.00 H new ATOM 0 HA THR A 190 -9.613 -0.465 -1.491 1.00 0.00 H new ATOM 0 HB THR A 190 -6.821 -1.389 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 190 -7.233 -1.084 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.113 -3.301 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 190 -7.978 -3.597 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 190 -8.880 -3.105 -2.674 1.00 0.00 H new ATOM 289 N THR A 191 -9.023 -2.912 0.608 1.00 0.00 N ATOM 290 CA THR A 191 -9.661 -4.015 1.304 1.00 0.00 C ATOM 291 C THR A 191 -10.915 -3.530 2.036 1.00 0.00 C ATOM 292 O THR A 191 -11.887 -4.272 2.169 1.00 0.00 O ATOM 293 CB THR A 191 -8.625 -4.653 2.232 1.00 0.00 C ATOM 294 OG1 THR A 191 -7.983 -5.629 1.416 1.00 0.00 O ATOM 295 CG2 THR A 191 -9.267 -5.469 3.355 1.00 0.00 C ATOM 0 H THR A 191 -8.024 -2.814 0.789 1.00 0.00 H new ATOM 0 HA THR A 191 -10.005 -4.777 0.605 1.00 0.00 H new ATOM 0 HB THR A 191 -7.997 -3.874 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 191 -7.410 -6.196 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 191 -8.487 -5.899 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.903 -4.821 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 191 -9.869 -6.269 2.925 1.00 0.00 H new ATOM 303 N THR A 192 -10.852 -2.287 2.491 1.00 0.00 N ATOM 304 CA THR A 192 -11.969 -1.694 3.206 1.00 0.00 C ATOM 305 C THR A 192 -12.950 -1.052 2.223 1.00 0.00 C ATOM 306 O THR A 192 -14.117 -1.438 2.164 1.00 0.00 O ATOM 307 CB THR A 192 -11.404 -0.709 4.232 1.00 0.00 C ATOM 308 OG1 THR A 192 -11.681 -1.321 5.490 1.00 0.00 O ATOM 309 CG2 THR A 192 -12.189 0.603 4.277 1.00 0.00 C ATOM 0 H THR A 192 -10.044 -1.674 2.378 1.00 0.00 H new ATOM 0 HA THR A 192 -12.543 -2.450 3.742 1.00 0.00 H new ATOM 0 HB THR A 192 -10.360 -0.501 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 192 -11.346 -0.750 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 192 -11.747 1.266 5.021 1.00 0.00 H new ATOM 0 HG22 THR A 192 -12.155 1.081 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 192 -13.226 0.398 4.544 1.00 0.00 H new ATOM 317 N THR A 193 -12.442 -0.083 1.478 1.00 0.00 N ATOM 318 CA THR A 193 -13.259 0.618 0.501 1.00 0.00 C ATOM 319 C THR A 193 -13.131 -0.043 -0.873 1.00 0.00 C ATOM 320 O THR A 193 -12.022 -0.307 -1.338 1.00 0.00 O ATOM 321 CB THR A 193 -12.846 2.090 0.508 1.00 0.00 C ATOM 322 OG1 THR A 193 -14.044 2.785 0.845 1.00 0.00 O ATOM 323 CG2 THR A 193 -12.496 2.607 -0.890 1.00 0.00 C ATOM 0 H THR A 193 -11.474 0.234 1.530 1.00 0.00 H new ATOM 0 HA THR A 193 -14.317 0.562 0.757 1.00 0.00 H new ATOM 0 HB THR A 193 -11.990 2.224 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 193 -13.866 3.748 0.874 1.00 0.00 H new ATOM 0 HG21 THR A 193 -12.210 3.657 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 193 -11.666 2.028 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 193 -13.363 2.505 -1.543 1.00 0.00 H new ATOM 331 N LYS A 194 -14.279 -0.293 -1.484 1.00 0.00 N ATOM 332 CA LYS A 194 -14.309 -0.918 -2.796 1.00 0.00 C ATOM 333 C LYS A 194 -13.504 -2.217 -2.755 1.00 0.00 C ATOM 334 O LYS A 194 -12.275 -2.193 -2.800 1.00 0.00 O ATOM 335 CB LYS A 194 -13.835 0.065 -3.868 1.00 0.00 C ATOM 336 CG LYS A 194 -14.733 -0.001 -5.106 1.00 0.00 C ATOM 337 CD LYS A 194 -13.898 0.005 -6.389 1.00 0.00 C ATOM 338 CE LYS A 194 -14.647 -0.682 -7.532 1.00 0.00 C ATOM 339 NZ LYS A 194 -14.561 0.128 -8.768 1.00 0.00 N ATOM 0 H LYS A 194 -15.196 -0.074 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 194 -15.330 -1.184 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -13.838 1.078 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -12.807 -0.164 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -15.344 -0.903 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -15.417 0.847 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -13.662 1.032 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -12.950 -0.503 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -14.225 -1.671 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -15.692 -0.825 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -15.075 -0.352 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -14.984 1.063 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -13.564 0.243 -9.039 1.00 0.00 H new ATOM 353 N GLY A 195 -14.228 -3.323 -2.669 1.00 0.00 N ATOM 354 CA GLY A 195 -13.597 -4.631 -2.622 1.00 0.00 C ATOM 355 C GLY A 195 -12.327 -4.595 -1.770 1.00 0.00 C ATOM 356 O GLY A 195 -11.359 -5.297 -2.061 1.00 0.00 O ATOM 0 H GLY A 195 -15.247 -3.340 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.295 -5.361 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.352 -4.958 -3.633 1.00 0.00 H new TER 360 GLY A 195