USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=7 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= -0.231 K(o=-0.23,f=-1.6!) USER MOD Single : A 174 ASN : amide:sc= 0.475 K(o=0.48,f=-3.8!) USER MOD Single : A 177 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=-0.015) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.691 K(o=-0.69,f=-4!) USER MOD Single : A 187 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.83) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0.0892 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 180:sc= 0 USER MOD Single : A 193 THR OG1 : rot -127:sc= 1.13 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 173 16.769 -2.326 1.789 1.00 0.00 N ATOM 2 CA ASN A 173 15.603 -2.772 2.533 1.00 0.00 C ATOM 3 C ASN A 173 14.704 -1.570 2.829 1.00 0.00 C ATOM 4 O ASN A 173 13.515 -1.588 2.512 1.00 0.00 O ATOM 5 CB ASN A 173 16.008 -3.400 3.868 1.00 0.00 C ATOM 6 CG ASN A 173 15.502 -4.841 3.972 1.00 0.00 C ATOM 7 OD1 ASN A 173 15.269 -5.517 2.983 1.00 0.00 O ATOM 8 ND2 ASN A 173 15.345 -5.270 5.221 1.00 0.00 N ATOM 0 HA ASN A 173 15.081 -3.515 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 173 17.093 -3.384 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 173 15.604 -2.809 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 173 15.011 -6.218 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 173 15.559 -4.651 6.003 1.00 0.00 H new ATOM 15 N ASN A 174 15.304 -0.557 3.434 1.00 0.00 N ATOM 16 CA ASN A 174 14.571 0.650 3.777 1.00 0.00 C ATOM 17 C ASN A 174 13.817 1.151 2.544 1.00 0.00 C ATOM 18 O ASN A 174 12.589 1.234 2.554 1.00 0.00 O ATOM 19 CB ASN A 174 15.521 1.760 4.233 1.00 0.00 C ATOM 20 CG ASN A 174 16.456 1.261 5.337 1.00 0.00 C ATOM 21 OD1 ASN A 174 17.241 0.345 5.154 1.00 0.00 O ATOM 22 ND2 ASN A 174 16.329 1.914 6.488 1.00 0.00 N ATOM 0 H ASN A 174 16.290 -0.546 3.696 1.00 0.00 H new ATOM 0 HA ASN A 174 13.883 0.408 4.587 1.00 0.00 H new ATOM 0 HB2 ASN A 174 16.109 2.112 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 174 14.945 2.611 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 174 16.909 1.657 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 174 15.651 2.672 6.572 1.00 0.00 H new ATOM 29 N PHE A 175 14.582 1.472 1.511 1.00 0.00 N ATOM 30 CA PHE A 175 14.002 1.963 0.273 1.00 0.00 C ATOM 31 C PHE A 175 12.768 1.145 -0.116 1.00 0.00 C ATOM 32 O PHE A 175 11.716 1.707 -0.414 1.00 0.00 O ATOM 33 CB PHE A 175 15.067 1.805 -0.814 1.00 0.00 C ATOM 34 CG PHE A 175 14.567 2.123 -2.225 1.00 0.00 C ATOM 35 CD1 PHE A 175 14.577 3.406 -2.678 1.00 0.00 C ATOM 36 CD2 PHE A 175 14.115 1.122 -3.028 1.00 0.00 C ATOM 37 CE1 PHE A 175 14.114 3.700 -3.987 1.00 0.00 C ATOM 38 CE2 PHE A 175 13.652 1.417 -4.337 1.00 0.00 C ATOM 39 CZ PHE A 175 13.660 2.700 -4.789 1.00 0.00 C ATOM 0 H PHE A 175 15.600 1.401 1.506 1.00 0.00 H new ATOM 0 HA PHE A 175 13.694 3.002 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 175 15.908 2.458 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.443 0.782 -0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 175 14.937 4.201 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 175 14.108 0.103 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 175 14.122 4.718 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 175 13.293 0.622 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 175 13.306 2.924 -5.784 1.00 0.00 H new ATOM 49 N VAL A 176 12.939 -0.168 -0.099 1.00 0.00 N ATOM 50 CA VAL A 176 11.853 -1.069 -0.447 1.00 0.00 C ATOM 51 C VAL A 176 10.723 -0.915 0.574 1.00 0.00 C ATOM 52 O VAL A 176 9.567 -0.723 0.200 1.00 0.00 O ATOM 53 CB VAL A 176 12.375 -2.503 -0.548 1.00 0.00 C ATOM 54 CG1 VAL A 176 11.274 -3.512 -0.216 1.00 0.00 C ATOM 55 CG2 VAL A 176 12.967 -2.775 -1.933 1.00 0.00 C ATOM 0 H VAL A 176 13.813 -0.630 0.150 1.00 0.00 H new ATOM 0 HA VAL A 176 11.445 -0.816 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 176 13.171 -2.622 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 176 11.672 -4.524 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 176 10.918 -3.341 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.447 -3.391 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 176 13.331 -3.802 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 176 12.199 -2.629 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 176 13.794 -2.089 -2.117 1.00 0.00 H new ATOM 65 N HIS A 177 11.097 -1.005 1.841 1.00 0.00 N ATOM 66 CA HIS A 177 10.129 -0.878 2.918 1.00 0.00 C ATOM 67 C HIS A 177 9.222 0.324 2.653 1.00 0.00 C ATOM 68 O HIS A 177 8.070 0.344 3.084 1.00 0.00 O ATOM 69 CB HIS A 177 10.833 -0.803 4.274 1.00 0.00 C ATOM 70 CG HIS A 177 10.000 -1.311 5.427 1.00 0.00 C ATOM 71 ND1 HIS A 177 10.512 -1.493 6.700 1.00 0.00 N ATOM 72 CD2 HIS A 177 8.686 -1.673 5.486 1.00 0.00 C ATOM 73 CE1 HIS A 177 9.542 -1.944 7.481 1.00 0.00 C ATOM 74 NE2 HIS A 177 8.410 -2.055 6.726 1.00 0.00 N ATOM 0 H HIS A 177 12.057 -1.164 2.147 1.00 0.00 H new ATOM 0 HA HIS A 177 9.497 -1.765 2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.757 -1.379 4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 177 11.113 0.232 4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 177 7.988 -1.652 4.662 1.00 0.00 H new ATOM 0 HE1 HIS A 177 9.631 -2.182 8.531 1.00 0.00 H new ATOM 0 HE2 HIS A 177 7.502 -2.378 7.060 1.00 0.00 H new ATOM 83 N ASP A 178 9.776 1.298 1.946 1.00 0.00 N ATOM 84 CA ASP A 178 9.030 2.503 1.619 1.00 0.00 C ATOM 85 C ASP A 178 8.058 2.201 0.477 1.00 0.00 C ATOM 86 O ASP A 178 6.891 2.585 0.532 1.00 0.00 O ATOM 87 CB ASP A 178 9.967 3.621 1.157 1.00 0.00 C ATOM 88 CG ASP A 178 9.485 5.038 1.475 1.00 0.00 C ATOM 89 OD1 ASP A 178 8.250 5.230 1.483 1.00 0.00 O ATOM 90 OD2 ASP A 178 10.363 5.899 1.701 1.00 0.00 O ATOM 0 H ASP A 178 10.732 1.278 1.590 1.00 0.00 H new ATOM 0 HA ASP A 178 8.498 2.824 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.942 3.472 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 178 10.109 3.534 0.080 1.00 0.00 H new ATOM 95 N CYS A 179 8.574 1.514 -0.533 1.00 0.00 N ATOM 96 CA CYS A 179 7.766 1.156 -1.685 1.00 0.00 C ATOM 97 C CYS A 179 6.651 0.219 -1.218 1.00 0.00 C ATOM 98 O CYS A 179 5.503 0.355 -1.638 1.00 0.00 O ATOM 99 CB CYS A 179 8.610 0.529 -2.796 1.00 0.00 C ATOM 100 SG CYS A 179 8.207 1.305 -4.404 1.00 0.00 S ATOM 0 H CYS A 179 9.542 1.196 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 179 7.326 2.055 -2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.670 0.659 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.423 -0.544 -2.844 1.00 0.00 H new ATOM 0 HG CYS A 179 8.931 0.766 -5.339 1.00 0.00 H new ATOM 106 N VAL A 180 7.028 -0.714 -0.355 1.00 0.00 N ATOM 107 CA VAL A 180 6.075 -1.674 0.174 1.00 0.00 C ATOM 108 C VAL A 180 4.822 -0.934 0.648 1.00 0.00 C ATOM 109 O VAL A 180 3.782 -0.984 -0.007 1.00 0.00 O ATOM 110 CB VAL A 180 6.730 -2.509 1.277 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.736 -2.805 2.403 1.00 0.00 C ATOM 112 CG2 VAL A 180 7.318 -3.802 0.709 1.00 0.00 C ATOM 0 H VAL A 180 7.981 -0.825 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 180 5.765 -2.373 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 180 7.549 -1.926 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 180 6.226 -3.400 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.386 -1.868 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 180 4.887 -3.359 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 180 7.777 -4.377 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 180 6.525 -4.391 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 180 8.072 -3.560 -0.041 1.00 0.00 H new ATOM 122 N ASN A 181 4.963 -0.265 1.783 1.00 0.00 N ATOM 123 CA ASN A 181 3.856 0.484 2.353 1.00 0.00 C ATOM 124 C ASN A 181 3.236 1.372 1.271 1.00 0.00 C ATOM 125 O ASN A 181 2.016 1.422 1.128 1.00 0.00 O ATOM 126 CB ASN A 181 4.331 1.388 3.492 1.00 0.00 C ATOM 127 CG ASN A 181 3.260 1.509 4.578 1.00 0.00 C ATOM 128 OD1 ASN A 181 2.277 2.219 4.442 1.00 0.00 O ATOM 129 ND2 ASN A 181 3.505 0.778 5.662 1.00 0.00 N ATOM 0 H ASN A 181 5.827 -0.226 2.323 1.00 0.00 H new ATOM 0 HA ASN A 181 3.129 -0.230 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 181 5.247 0.985 3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.571 2.377 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.850 0.790 6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 181 4.347 0.205 5.711 1.00 0.00 H new ATOM 136 N ILE A 182 4.106 2.049 0.537 1.00 0.00 N ATOM 137 CA ILE A 182 3.660 2.933 -0.526 1.00 0.00 C ATOM 138 C ILE A 182 2.722 2.165 -1.461 1.00 0.00 C ATOM 139 O ILE A 182 1.826 2.753 -2.065 1.00 0.00 O ATOM 140 CB ILE A 182 4.859 3.560 -1.240 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.534 4.613 -0.359 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.452 4.128 -2.601 1.00 0.00 C ATOM 143 CD1 ILE A 182 4.882 5.984 -0.546 1.00 0.00 C ATOM 0 H ILE A 182 5.118 2.003 0.657 1.00 0.00 H new ATOM 0 HA ILE A 182 3.091 3.767 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 182 5.593 2.776 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.467 4.314 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 182 6.594 4.674 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.323 4.568 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 182 4.054 3.328 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.689 4.894 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 182 5.381 6.714 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 182 4.972 6.291 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 182 3.828 5.926 -0.275 1.00 0.00 H new ATOM 155 N THR A 183 2.960 0.865 -1.548 1.00 0.00 N ATOM 156 CA THR A 183 2.146 0.012 -2.397 1.00 0.00 C ATOM 157 C THR A 183 0.906 -0.469 -1.640 1.00 0.00 C ATOM 158 O THR A 183 -0.179 -0.555 -2.211 1.00 0.00 O ATOM 159 CB THR A 183 3.029 -1.130 -2.905 1.00 0.00 C ATOM 160 OG1 THR A 183 2.660 -1.274 -4.274 1.00 0.00 O ATOM 161 CG2 THR A 183 2.663 -2.477 -2.277 1.00 0.00 C ATOM 0 H THR A 183 3.704 0.382 -1.045 1.00 0.00 H new ATOM 0 HA THR A 183 1.768 0.559 -3.261 1.00 0.00 H new ATOM 0 HB THR A 183 4.074 -0.902 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 183 3.187 -1.993 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 183 3.319 -3.253 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.780 -2.418 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.628 -2.721 -2.517 1.00 0.00 H new ATOM 169 N ILE A 184 1.110 -0.770 -0.366 1.00 0.00 N ATOM 170 CA ILE A 184 0.022 -1.239 0.475 1.00 0.00 C ATOM 171 C ILE A 184 -0.917 -0.073 0.786 1.00 0.00 C ATOM 172 O ILE A 184 -2.044 -0.281 1.232 1.00 0.00 O ATOM 173 CB ILE A 184 0.572 -1.935 1.723 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.314 -3.115 2.128 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.759 -0.938 2.868 1.00 0.00 C ATOM 176 CD1 ILE A 184 0.512 -4.393 2.281 1.00 0.00 C ATOM 0 H ILE A 184 2.012 -0.698 0.104 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.567 -1.991 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 184 1.556 -2.339 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -0.819 -2.890 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -1.090 -3.267 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 184 1.151 -1.458 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.460 -0.161 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.200 -0.484 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.142 -5.216 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 184 0.996 -4.629 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 184 1.271 -4.246 3.050 1.00 0.00 H new ATOM 188 N LYS A 185 -0.418 1.129 0.536 1.00 0.00 N ATOM 189 CA LYS A 185 -1.199 2.329 0.783 1.00 0.00 C ATOM 190 C LYS A 185 -2.650 2.084 0.366 1.00 0.00 C ATOM 191 O LYS A 185 -3.553 2.113 1.201 1.00 0.00 O ATOM 192 CB LYS A 185 -0.558 3.537 0.096 1.00 0.00 C ATOM 193 CG LYS A 185 -1.037 4.846 0.728 1.00 0.00 C ATOM 194 CD LYS A 185 0.072 5.487 1.565 1.00 0.00 C ATOM 195 CE LYS A 185 -0.462 6.685 2.354 1.00 0.00 C ATOM 196 NZ LYS A 185 0.657 7.476 2.915 1.00 0.00 N ATOM 0 H LYS A 185 0.517 1.297 0.165 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.208 2.564 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.527 3.469 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.805 3.530 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.354 5.537 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.907 4.654 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 185 0.487 4.750 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.885 5.808 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.070 7.314 1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -1.110 6.338 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.278 8.285 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.221 6.877 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.259 7.823 2.141 1.00 0.00 H new ATOM 210 N GLN A 186 -2.829 1.846 -0.925 1.00 0.00 N ATOM 211 CA GLN A 186 -4.156 1.595 -1.463 1.00 0.00 C ATOM 212 C GLN A 186 -4.818 0.432 -0.721 1.00 0.00 C ATOM 213 O GLN A 186 -6.008 0.483 -0.415 1.00 0.00 O ATOM 214 CB GLN A 186 -4.094 1.323 -2.967 1.00 0.00 C ATOM 215 CG GLN A 186 -4.556 2.542 -3.765 1.00 0.00 C ATOM 216 CD GLN A 186 -6.054 2.789 -3.573 1.00 0.00 C ATOM 217 OE1 GLN A 186 -6.686 2.260 -2.672 1.00 0.00 O ATOM 218 NE2 GLN A 186 -6.585 3.619 -4.466 1.00 0.00 N ATOM 0 H GLN A 186 -2.078 1.822 -1.614 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.763 2.488 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -3.074 1.063 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -4.721 0.465 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -3.995 3.422 -3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.342 2.391 -4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -5.999 4.027 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -7.578 3.848 -4.422 1.00 0.00 H new ATOM 227 N HIS A 187 -4.018 -0.590 -0.454 1.00 0.00 N ATOM 228 CA HIS A 187 -4.511 -1.763 0.247 1.00 0.00 C ATOM 229 C HIS A 187 -5.499 -1.335 1.333 1.00 0.00 C ATOM 230 O HIS A 187 -6.695 -1.607 1.232 1.00 0.00 O ATOM 231 CB HIS A 187 -3.351 -2.597 0.795 1.00 0.00 C ATOM 232 CG HIS A 187 -3.487 -4.080 0.544 1.00 0.00 C ATOM 233 ND1 HIS A 187 -4.711 -4.724 0.505 1.00 0.00 N ATOM 234 CD2 HIS A 187 -2.541 -5.036 0.317 1.00 0.00 C ATOM 235 CE1 HIS A 187 -4.500 -6.010 0.267 1.00 0.00 C ATOM 236 NE2 HIS A 187 -3.154 -6.201 0.151 1.00 0.00 N ATOM 0 H HIS A 187 -3.032 -0.630 -0.711 1.00 0.00 H new ATOM 0 HA HIS A 187 -5.048 -2.408 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.422 -2.247 0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -3.270 -2.427 1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -1.474 -4.872 0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -5.260 -6.773 0.180 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -2.695 -7.093 -0.033 1.00 0.00 H new ATOM 245 N THR A 188 -4.963 -0.672 2.348 1.00 0.00 N ATOM 246 CA THR A 188 -5.783 -0.203 3.451 1.00 0.00 C ATOM 247 C THR A 188 -7.005 0.553 2.926 1.00 0.00 C ATOM 248 O THR A 188 -8.087 0.473 3.506 1.00 0.00 O ATOM 249 CB THR A 188 -4.898 0.638 4.374 1.00 0.00 C ATOM 250 OG1 THR A 188 -3.674 -0.089 4.439 1.00 0.00 O ATOM 251 CG2 THR A 188 -5.402 0.649 5.818 1.00 0.00 C ATOM 0 H THR A 188 -3.971 -0.449 2.429 1.00 0.00 H new ATOM 0 HA THR A 188 -6.181 -1.037 4.029 1.00 0.00 H new ATOM 0 HB THR A 188 -4.851 1.660 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 188 -3.041 0.387 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 188 -4.738 1.260 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 188 -6.409 1.065 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 188 -5.418 -0.370 6.206 1.00 0.00 H new ATOM 259 N VAL A 189 -6.790 1.271 1.833 1.00 0.00 N ATOM 260 CA VAL A 189 -7.860 2.041 1.223 1.00 0.00 C ATOM 261 C VAL A 189 -8.489 1.225 0.090 1.00 0.00 C ATOM 262 O VAL A 189 -9.028 1.789 -0.861 1.00 0.00 O ATOM 263 CB VAL A 189 -7.330 3.398 0.757 1.00 0.00 C ATOM 264 CG1 VAL A 189 -8.467 4.411 0.609 1.00 0.00 C ATOM 265 CG2 VAL A 189 -6.251 3.920 1.708 1.00 0.00 C ATOM 0 H VAL A 189 -5.891 1.335 1.355 1.00 0.00 H new ATOM 0 HA VAL A 189 -8.644 2.246 1.952 1.00 0.00 H new ATOM 0 HB VAL A 189 -6.875 3.261 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -8.062 5.367 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -9.186 4.047 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -8.965 4.542 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -5.891 4.886 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -6.671 4.033 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.422 3.213 1.741 1.00 0.00 H new ATOM 275 N THR A 190 -8.399 -0.089 0.231 1.00 0.00 N ATOM 276 CA THR A 190 -8.951 -0.988 -0.767 1.00 0.00 C ATOM 277 C THR A 190 -9.909 -1.987 -0.114 1.00 0.00 C ATOM 278 O THR A 190 -11.088 -2.041 -0.464 1.00 0.00 O ATOM 279 CB THR A 190 -7.785 -1.656 -1.501 1.00 0.00 C ATOM 280 OG1 THR A 190 -7.802 -1.058 -2.795 1.00 0.00 O ATOM 281 CG2 THR A 190 -8.037 -3.140 -1.772 1.00 0.00 C ATOM 0 H THR A 190 -7.952 -0.553 1.022 1.00 0.00 H new ATOM 0 HA THR A 190 -9.547 -0.445 -1.500 1.00 0.00 H new ATOM 0 HB THR A 190 -6.874 -1.545 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 190 -7.077 -1.432 -3.338 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.180 -3.565 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 190 -8.182 -3.663 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 190 -8.929 -3.251 -2.389 1.00 0.00 H new ATOM 289 N THR A 191 -9.368 -2.753 0.821 1.00 0.00 N ATOM 290 CA THR A 191 -10.160 -3.747 1.526 1.00 0.00 C ATOM 291 C THR A 191 -11.451 -3.121 2.055 1.00 0.00 C ATOM 292 O THR A 191 -12.468 -3.803 2.183 1.00 0.00 O ATOM 293 CB THR A 191 -9.285 -4.354 2.624 1.00 0.00 C ATOM 294 OG1 THR A 191 -8.575 -5.400 1.964 1.00 0.00 O ATOM 295 CG2 THR A 191 -10.107 -5.080 3.693 1.00 0.00 C ATOM 0 H THR A 191 -8.390 -2.706 1.107 1.00 0.00 H new ATOM 0 HA THR A 191 -10.474 -4.550 0.859 1.00 0.00 H new ATOM 0 HB THR A 191 -8.693 -3.568 3.092 1.00 0.00 H new ATOM 0 HG1 THR A 191 -7.982 -5.847 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 191 -9.438 -5.492 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 191 -10.795 -4.377 4.162 1.00 0.00 H new ATOM 0 HG23 THR A 191 -10.673 -5.888 3.230 1.00 0.00 H new ATOM 303 N THR A 192 -11.372 -1.831 2.347 1.00 0.00 N ATOM 304 CA THR A 192 -12.522 -1.107 2.858 1.00 0.00 C ATOM 305 C THR A 192 -13.385 -0.592 1.704 1.00 0.00 C ATOM 306 O THR A 192 -14.505 -1.059 1.506 1.00 0.00 O ATOM 307 CB THR A 192 -12.011 0.005 3.778 1.00 0.00 C ATOM 308 OG1 THR A 192 -12.423 -0.404 5.079 1.00 0.00 O ATOM 309 CG2 THR A 192 -12.740 1.331 3.555 1.00 0.00 C ATOM 0 H THR A 192 -10.528 -1.269 2.239 1.00 0.00 H new ATOM 0 HA THR A 192 -13.172 -1.759 3.442 1.00 0.00 H new ATOM 0 HB THR A 192 -10.943 0.147 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 192 -12.131 0.260 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 192 -12.339 2.085 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 192 -12.597 1.656 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 192 -13.804 1.198 3.749 1.00 0.00 H new ATOM 317 N THR A 193 -12.829 0.363 0.974 1.00 0.00 N ATOM 318 CA THR A 193 -13.533 0.947 -0.156 1.00 0.00 C ATOM 319 C THR A 193 -13.962 -0.144 -1.139 1.00 0.00 C ATOM 320 O THR A 193 -13.121 -0.845 -1.699 1.00 0.00 O ATOM 321 CB THR A 193 -12.626 2.007 -0.783 1.00 0.00 C ATOM 322 OG1 THR A 193 -11.546 1.257 -1.333 1.00 0.00 O ATOM 323 CG2 THR A 193 -11.962 2.904 0.264 1.00 0.00 C ATOM 0 H THR A 193 -11.899 0.747 1.142 1.00 0.00 H new ATOM 0 HA THR A 193 -14.454 1.435 0.162 1.00 0.00 H new ATOM 0 HB THR A 193 -13.207 2.622 -1.471 1.00 0.00 H new ATOM 0 HG1 THR A 193 -10.697 1.613 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 193 -11.329 3.638 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 193 -12.730 3.419 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 193 -11.353 2.295 0.932 1.00 0.00 H new ATOM 331 N LYS A 194 -15.271 -0.255 -1.316 1.00 0.00 N ATOM 332 CA LYS A 194 -15.821 -1.249 -2.221 1.00 0.00 C ATOM 333 C LYS A 194 -15.035 -2.553 -2.080 1.00 0.00 C ATOM 334 O LYS A 194 -14.071 -2.785 -2.809 1.00 0.00 O ATOM 335 CB LYS A 194 -15.862 -0.708 -3.652 1.00 0.00 C ATOM 336 CG LYS A 194 -17.131 0.111 -3.893 1.00 0.00 C ATOM 337 CD LYS A 194 -17.272 0.483 -5.371 1.00 0.00 C ATOM 338 CE LYS A 194 -17.441 1.995 -5.541 1.00 0.00 C ATOM 339 NZ LYS A 194 -18.419 2.289 -6.613 1.00 0.00 N ATOM 0 H LYS A 194 -15.966 0.327 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 194 -16.856 -1.470 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -14.985 -0.088 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -15.820 -1.537 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -18.003 -0.460 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -17.104 1.017 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -16.392 0.148 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -18.131 -0.033 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -17.776 2.437 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -16.480 2.450 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -18.522 3.319 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -18.083 1.883 -7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -19.339 1.872 -6.367 1.00 0.00 H new ATOM 353 N GLY A 195 -15.474 -3.373 -1.135 1.00 0.00 N ATOM 354 CA GLY A 195 -14.822 -4.647 -0.888 1.00 0.00 C ATOM 355 C GLY A 195 -15.584 -5.458 0.162 1.00 0.00 C ATOM 356 O GLY A 195 -16.209 -4.890 1.056 1.00 0.00 O ATOM 0 H GLY A 195 -16.273 -3.179 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.761 -5.214 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.800 -4.477 -0.550 1.00 0.00 H new TER 360 GLY A 195