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= -0.0114 X(o=-0.011,f=-0.1) USER MOD Single : A 174 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 177 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.13) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= -0.0147 X(o=-0.015,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= -0.735 X(o=-0.74,f=-0.34) USER MOD Single : A 187 HIS :FLIP no HD1:sc= -3.57! C(o=-4.3!,f=-3.6!) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 THR OG1 : rot -97:sc= 1.06 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 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 173 17.409 -0.542 1.806 1.00 0.00 N ATOM 2 CA ASN A 173 16.312 -1.327 2.346 1.00 0.00 C ATOM 3 C ASN A 173 15.138 -0.399 2.668 1.00 0.00 C ATOM 4 O ASN A 173 14.026 -0.609 2.186 1.00 0.00 O ATOM 5 CB ASN A 173 16.723 -2.035 3.638 1.00 0.00 C ATOM 6 CG ASN A 173 16.551 -3.550 3.512 1.00 0.00 C ATOM 7 OD1 ASN A 173 17.038 -4.181 2.589 1.00 0.00 O ATOM 8 ND2 ASN A 173 15.834 -4.096 4.490 1.00 0.00 N ATOM 0 HA ASN A 173 16.032 -2.072 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 173 17.762 -1.802 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 173 16.120 -1.665 4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 173 15.663 -5.102 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 173 15.455 -3.509 5.233 1.00 0.00 H new ATOM 15 N ASN A 174 15.426 0.606 3.480 1.00 0.00 N ATOM 16 CA ASN A 174 14.408 1.567 3.872 1.00 0.00 C ATOM 17 C ASN A 174 13.601 1.979 2.640 1.00 0.00 C ATOM 18 O ASN A 174 12.380 1.832 2.615 1.00 0.00 O ATOM 19 CB ASN A 174 15.040 2.827 4.467 1.00 0.00 C ATOM 20 CG ASN A 174 13.998 3.934 4.639 1.00 0.00 C ATOM 21 OD1 ASN A 174 12.856 3.697 4.997 1.00 0.00 O ATOM 22 ND2 ASN A 174 14.454 5.152 4.365 1.00 0.00 N ATOM 0 H ASN A 174 16.350 0.777 3.878 1.00 0.00 H new ATOM 0 HA ASN A 174 13.770 1.096 4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 174 15.489 2.592 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 174 15.843 3.176 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 174 13.836 5.959 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 174 15.422 5.280 4.070 1.00 0.00 H new ATOM 29 N PHE A 175 14.316 2.489 1.647 1.00 0.00 N ATOM 30 CA PHE A 175 13.682 2.924 0.414 1.00 0.00 C ATOM 31 C PHE A 175 12.589 1.943 -0.016 1.00 0.00 C ATOM 32 O PHE A 175 11.471 2.351 -0.326 1.00 0.00 O ATOM 33 CB PHE A 175 14.770 2.959 -0.660 1.00 0.00 C ATOM 34 CG PHE A 175 14.229 3.012 -2.091 1.00 0.00 C ATOM 35 CD1 PHE A 175 13.793 1.874 -2.695 1.00 0.00 C ATOM 36 CD2 PHE A 175 14.186 4.197 -2.758 1.00 0.00 C ATOM 37 CE1 PHE A 175 13.292 1.922 -4.023 1.00 0.00 C ATOM 38 CE2 PHE A 175 13.685 4.245 -4.087 1.00 0.00 C ATOM 39 CZ PHE A 175 13.249 3.107 -4.690 1.00 0.00 C ATOM 0 H PHE A 175 15.328 2.611 1.672 1.00 0.00 H new ATOM 0 HA PHE A 175 13.220 3.901 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 175 15.406 3.828 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.401 2.076 -0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 175 13.828 0.934 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 175 14.532 5.100 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 175 12.945 1.019 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 175 13.651 5.185 -4.618 1.00 0.00 H new ATOM 0 HZ PHE A 175 12.868 3.144 -5.700 1.00 0.00 H new ATOM 49 N VAL A 176 12.950 0.668 -0.020 1.00 0.00 N ATOM 50 CA VAL A 176 12.015 -0.374 -0.407 1.00 0.00 C ATOM 51 C VAL A 176 10.835 -0.381 0.567 1.00 0.00 C ATOM 52 O VAL A 176 9.679 -0.349 0.148 1.00 0.00 O ATOM 53 CB VAL A 176 12.735 -1.722 -0.484 1.00 0.00 C ATOM 54 CG1 VAL A 176 11.772 -2.875 -0.192 1.00 0.00 C ATOM 55 CG2 VAL A 176 13.414 -1.904 -1.843 1.00 0.00 C ATOM 0 H VAL A 176 13.878 0.333 0.239 1.00 0.00 H new ATOM 0 HA VAL A 176 11.615 -0.178 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 176 13.511 -1.732 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 176 12.309 -3.822 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 176 11.356 -2.757 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.964 -2.868 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 176 13.918 -2.870 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 176 12.664 -1.863 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 176 14.144 -1.109 -1.994 1.00 0.00 H new ATOM 65 N HIS A 177 11.168 -0.425 1.849 1.00 0.00 N ATOM 66 CA HIS A 177 10.150 -0.437 2.886 1.00 0.00 C ATOM 67 C HIS A 177 9.117 0.657 2.605 1.00 0.00 C ATOM 68 O HIS A 177 7.944 0.508 2.939 1.00 0.00 O ATOM 69 CB HIS A 177 10.785 -0.310 4.272 1.00 0.00 C ATOM 70 CG HIS A 177 10.049 -1.062 5.356 1.00 0.00 C ATOM 71 ND1 HIS A 177 10.130 -0.718 6.694 1.00 0.00 N ATOM 72 CD2 HIS A 177 9.219 -2.141 5.286 1.00 0.00 C ATOM 73 CE1 HIS A 177 9.379 -1.559 7.388 1.00 0.00 C ATOM 74 NE2 HIS A 177 8.815 -2.441 6.514 1.00 0.00 N ATOM 0 H HIS A 177 12.128 -0.453 2.193 1.00 0.00 H new ATOM 0 HA HIS A 177 9.627 -1.393 2.876 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.812 -0.673 4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 177 10.832 0.745 4.544 1.00 0.00 H new ATOM 0 HD2 HIS A 177 8.938 -2.663 4.384 1.00 0.00 H new ATOM 0 HE1 HIS A 177 9.238 -1.548 8.459 1.00 0.00 H new ATOM 0 HE2 HIS A 177 8.187 -3.205 6.763 1.00 0.00 H new ATOM 83 N ASP A 178 9.593 1.731 1.994 1.00 0.00 N ATOM 84 CA ASP A 178 8.726 2.850 1.664 1.00 0.00 C ATOM 85 C ASP A 178 7.803 2.451 0.510 1.00 0.00 C ATOM 86 O ASP A 178 6.606 2.734 0.543 1.00 0.00 O ATOM 87 CB ASP A 178 9.541 4.066 1.218 1.00 0.00 C ATOM 88 CG ASP A 178 8.910 5.421 1.542 1.00 0.00 C ATOM 89 OD1 ASP A 178 7.718 5.589 1.201 1.00 0.00 O ATOM 90 OD2 ASP A 178 9.632 6.260 2.124 1.00 0.00 O ATOM 0 H ASP A 178 10.568 1.851 1.719 1.00 0.00 H new ATOM 0 HA ASP A 178 8.153 3.107 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.524 4.018 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 178 9.699 4.004 0.141 1.00 0.00 H new ATOM 95 N CYS A 179 8.395 1.802 -0.481 1.00 0.00 N ATOM 96 CA CYS A 179 7.640 1.362 -1.643 1.00 0.00 C ATOM 97 C CYS A 179 6.614 0.325 -1.184 1.00 0.00 C ATOM 98 O CYS A 179 5.463 0.351 -1.618 1.00 0.00 O ATOM 99 CB CYS A 179 8.558 0.811 -2.737 1.00 0.00 C ATOM 100 SG CYS A 179 8.103 1.533 -4.356 1.00 0.00 S ATOM 0 H CYS A 179 9.388 1.570 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 179 7.122 2.212 -2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.597 1.045 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.478 -0.275 -2.778 1.00 0.00 H new ATOM 0 HG CYS A 179 8.889 1.061 -5.278 1.00 0.00 H new ATOM 106 N VAL A 180 7.067 -0.565 -0.312 1.00 0.00 N ATOM 107 CA VAL A 180 6.202 -1.608 0.210 1.00 0.00 C ATOM 108 C VAL A 180 4.880 -0.987 0.669 1.00 0.00 C ATOM 109 O VAL A 180 3.856 -1.135 0.003 1.00 0.00 O ATOM 110 CB VAL A 180 6.920 -2.376 1.322 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.947 -2.761 2.439 1.00 0.00 C ATOM 112 CG2 VAL A 180 7.632 -3.609 0.765 1.00 0.00 C ATOM 0 H VAL A 180 8.022 -0.584 0.046 1.00 0.00 H new ATOM 0 HA VAL A 180 5.967 -2.334 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 180 7.676 -1.718 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 180 6.483 -3.306 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.507 -1.859 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 180 5.157 -3.393 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 180 8.134 -4.137 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 180 6.902 -4.271 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 180 8.368 -3.300 0.023 1.00 0.00 H new ATOM 122 N ASN A 181 4.946 -0.306 1.803 1.00 0.00 N ATOM 123 CA ASN A 181 3.768 0.338 2.359 1.00 0.00 C ATOM 124 C ASN A 181 3.081 1.163 1.268 1.00 0.00 C ATOM 125 O ASN A 181 1.862 1.103 1.115 1.00 0.00 O ATOM 126 CB ASN A 181 4.144 1.284 3.501 1.00 0.00 C ATOM 127 CG ASN A 181 3.056 1.303 4.577 1.00 0.00 C ATOM 128 OD1 ASN A 181 1.952 1.779 4.374 1.00 0.00 O ATOM 129 ND2 ASN A 181 3.429 0.758 5.733 1.00 0.00 N ATOM 0 H ASN A 181 5.797 -0.186 2.352 1.00 0.00 H new ATOM 0 HA ASN A 181 3.106 -0.440 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 181 5.091 0.970 3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.292 2.291 3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.774 0.722 6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 181 4.369 0.377 5.837 1.00 0.00 H new ATOM 136 N ILE A 182 3.893 1.914 0.540 1.00 0.00 N ATOM 137 CA ILE A 182 3.379 2.751 -0.532 1.00 0.00 C ATOM 138 C ILE A 182 2.522 1.899 -1.471 1.00 0.00 C ATOM 139 O ILE A 182 1.554 2.391 -2.050 1.00 0.00 O ATOM 140 CB ILE A 182 4.523 3.480 -1.238 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.005 4.674 -0.410 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.121 3.891 -2.656 1.00 0.00 C ATOM 143 CD1 ILE A 182 6.322 5.226 -0.959 1.00 0.00 C ATOM 0 H ILE A 182 4.904 1.961 0.671 1.00 0.00 H new ATOM 0 HA ILE A 182 2.734 3.532 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 182 5.362 2.790 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 182 4.247 5.457 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.138 4.371 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 182 4.953 4.407 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 182 3.865 3.003 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.259 4.556 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 182 6.642 6.073 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 182 7.084 4.448 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 182 6.179 5.551 -1.990 1.00 0.00 H new ATOM 155 N THR A 183 2.907 0.638 -1.592 1.00 0.00 N ATOM 156 CA THR A 183 2.185 -0.287 -2.450 1.00 0.00 C ATOM 157 C THR A 183 0.972 -0.859 -1.715 1.00 0.00 C ATOM 158 O THR A 183 -0.094 -1.026 -2.306 1.00 0.00 O ATOM 159 CB THR A 183 3.169 -1.358 -2.925 1.00 0.00 C ATOM 160 OG1 THR A 183 2.843 -1.544 -4.299 1.00 0.00 O ATOM 161 CG2 THR A 183 2.900 -2.723 -2.289 1.00 0.00 C ATOM 0 H THR A 183 3.710 0.234 -1.110 1.00 0.00 H new ATOM 0 HA THR A 183 1.784 0.219 -3.329 1.00 0.00 H new ATOM 0 HB THR A 183 4.187 -1.044 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 183 3.435 -2.222 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 183 3.626 -3.447 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.988 -2.643 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.894 -3.053 -2.548 1.00 0.00 H new ATOM 169 N ILE A 184 1.174 -1.146 -0.437 1.00 0.00 N ATOM 170 CA ILE A 184 0.109 -1.696 0.384 1.00 0.00 C ATOM 171 C ILE A 184 -0.930 -0.609 0.661 1.00 0.00 C ATOM 172 O ILE A 184 -2.058 -0.907 1.052 1.00 0.00 O ATOM 173 CB ILE A 184 0.685 -2.333 1.651 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.083 -3.603 2.024 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.722 -1.326 2.802 1.00 0.00 C ATOM 176 CD1 ILE A 184 -0.013 -3.864 3.530 1.00 0.00 C ATOM 0 H ILE A 184 2.060 -1.008 0.050 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.404 -2.499 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 184 1.715 -2.628 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -1.124 -3.506 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 184 0.331 -4.455 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 184 1.135 -1.804 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.346 -0.477 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.289 -0.979 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.567 -4.772 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 184 1.028 -3.984 3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -0.450 -3.022 4.066 1.00 0.00 H new ATOM 188 N LYS A 185 -0.514 0.631 0.446 1.00 0.00 N ATOM 189 CA LYS A 185 -1.395 1.765 0.668 1.00 0.00 C ATOM 190 C LYS A 185 -2.810 1.404 0.209 1.00 0.00 C ATOM 191 O LYS A 185 -3.737 1.363 1.016 1.00 0.00 O ATOM 192 CB LYS A 185 -0.833 3.020 -0.003 1.00 0.00 C ATOM 193 CG LYS A 185 -1.430 4.287 0.615 1.00 0.00 C ATOM 194 CD LYS A 185 -0.558 4.801 1.761 1.00 0.00 C ATOM 195 CE LYS A 185 -1.361 5.709 2.696 1.00 0.00 C ATOM 196 NZ LYS A 185 -1.534 7.050 2.093 1.00 0.00 N ATOM 0 H LYS A 185 0.421 0.875 0.120 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.454 1.999 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.252 3.037 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.051 2.994 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.525 5.059 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.434 4.078 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.156 3.958 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.293 5.350 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -2.336 5.265 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.849 5.798 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -2.081 7.654 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.601 7.478 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -2.042 6.962 1.190 1.00 0.00 H new ATOM 210 N GLN A 186 -2.930 1.152 -1.086 1.00 0.00 N ATOM 211 CA GLN A 186 -4.215 0.796 -1.663 1.00 0.00 C ATOM 212 C GLN A 186 -4.745 -0.490 -1.025 1.00 0.00 C ATOM 213 O GLN A 186 -5.872 -0.525 -0.533 1.00 0.00 O ATOM 214 CB GLN A 186 -4.114 0.652 -3.182 1.00 0.00 C ATOM 215 CG GLN A 186 -4.644 1.902 -3.888 1.00 0.00 C ATOM 216 CD GLN A 186 -6.159 2.032 -3.708 1.00 0.00 C ATOM 217 OE1 GLN A 186 -6.916 1.099 -3.911 1.00 0.00 O ATOM 218 NE2 GLN A 186 -6.554 3.239 -3.315 1.00 0.00 N ATOM 0 H GLN A 186 -2.158 1.187 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.920 1.601 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -3.076 0.482 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -4.680 -0.221 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -4.149 2.787 -3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.403 1.854 -4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -5.866 3.976 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -7.545 3.428 -3.165 1.00 0.00 H new ATOM 227 N HIS A 187 -3.907 -1.515 -1.053 1.00 0.00 N ATOM 228 CA HIS A 187 -4.277 -2.801 -0.484 1.00 0.00 C ATOM 229 C HIS A 187 -5.071 -2.580 0.805 1.00 0.00 C ATOM 230 O HIS A 187 -6.300 -2.518 0.778 1.00 0.00 O ATOM 231 CB HIS A 187 -3.041 -3.678 -0.276 1.00 0.00 C ATOM 232 CG HIS A 187 -3.268 -4.847 0.654 1.00 0.00 C ATOM 233 ND1 HIS A 187 -2.381 -5.627 1.336 1.00 0.00 N flip ATOM 234 CD2 HIS A 187 -4.529 -5.325 0.964 1.00 0.00 C flip ATOM 235 CE1 HIS A 187 -3.063 -6.532 2.026 1.00 0.00 C flip ATOM 236 NE2 HIS A 187 -4.395 -6.347 1.797 1.00 0.00 N flip ATOM 0 H HIS A 187 -2.973 -1.482 -1.461 1.00 0.00 H new ATOM 0 HA HIS A 187 -4.920 -3.340 -1.179 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.709 -4.055 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -2.234 -3.062 0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -5.463 -4.932 0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -2.634 -7.290 2.664 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -5.154 -6.898 2.197 1.00 0.00 H new ATOM 245 N THR A 188 -4.338 -2.470 1.902 1.00 0.00 N ATOM 246 CA THR A 188 -4.959 -2.259 3.199 1.00 0.00 C ATOM 247 C THR A 188 -6.164 -1.326 3.068 1.00 0.00 C ATOM 248 O THR A 188 -7.132 -1.446 3.818 1.00 0.00 O ATOM 249 CB THR A 188 -3.887 -1.736 4.158 1.00 0.00 C ATOM 250 OG1 THR A 188 -3.522 -2.877 4.928 1.00 0.00 O ATOM 251 CG2 THR A 188 -4.451 -0.756 5.188 1.00 0.00 C ATOM 0 H THR A 188 -3.320 -2.523 1.920 1.00 0.00 H new ATOM 0 HA THR A 188 -5.352 -3.191 3.605 1.00 0.00 H new ATOM 0 HB THR A 188 -3.097 -1.248 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 188 -2.829 -2.627 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 188 -3.649 -0.416 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 188 -4.888 0.100 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 188 -5.218 -1.253 5.781 1.00 0.00 H new ATOM 259 N VAL A 189 -6.066 -0.416 2.110 1.00 0.00 N ATOM 260 CA VAL A 189 -7.135 0.537 1.870 1.00 0.00 C ATOM 261 C VAL A 189 -8.034 0.017 0.746 1.00 0.00 C ATOM 262 O VAL A 189 -8.333 0.744 -0.201 1.00 0.00 O ATOM 263 CB VAL A 189 -6.550 1.920 1.576 1.00 0.00 C ATOM 264 CG1 VAL A 189 -7.648 2.909 1.182 1.00 0.00 C ATOM 265 CG2 VAL A 189 -5.746 2.440 2.769 1.00 0.00 C ATOM 0 H VAL A 189 -5.262 -0.319 1.490 1.00 0.00 H new ATOM 0 HA VAL A 189 -7.756 0.645 2.760 1.00 0.00 H new ATOM 0 HB VAL A 189 -5.870 1.822 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -7.204 3.884 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -8.158 2.549 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -8.365 3.000 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -5.341 3.424 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -6.396 2.514 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -4.927 1.753 2.983 1.00 0.00 H new ATOM 275 N THR A 190 -8.440 -1.236 0.888 1.00 0.00 N ATOM 276 CA THR A 190 -9.298 -1.861 -0.104 1.00 0.00 C ATOM 277 C THR A 190 -10.769 -1.681 0.274 1.00 0.00 C ATOM 278 O THR A 190 -11.422 -0.746 -0.186 1.00 0.00 O ATOM 279 CB THR A 190 -8.879 -3.327 -0.235 1.00 0.00 C ATOM 280 OG1 THR A 190 -8.374 -3.660 1.056 1.00 0.00 O ATOM 281 CG2 THR A 190 -7.678 -3.513 -1.164 1.00 0.00 C ATOM 0 H THR A 190 -8.191 -1.835 1.675 1.00 0.00 H new ATOM 0 HA THR A 190 -9.185 -1.387 -1.079 1.00 0.00 H new ATOM 0 HB THR A 190 -9.720 -3.912 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 190 -7.397 -3.580 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.423 -4.571 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 190 -7.928 -3.146 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 190 -6.827 -2.955 -0.774 1.00 0.00 H new ATOM 289 N THR A 191 -11.248 -2.592 1.109 1.00 0.00 N ATOM 290 CA THR A 191 -12.631 -2.546 1.555 1.00 0.00 C ATOM 291 C THR A 191 -12.980 -1.146 2.066 1.00 0.00 C ATOM 292 O THR A 191 -14.150 -0.770 2.107 1.00 0.00 O ATOM 293 CB THR A 191 -12.827 -3.641 2.603 1.00 0.00 C ATOM 294 OG1 THR A 191 -13.163 -4.797 1.840 1.00 0.00 O ATOM 295 CG2 THR A 191 -14.058 -3.401 3.479 1.00 0.00 C ATOM 0 H THR A 191 -10.703 -3.366 1.488 1.00 0.00 H new ATOM 0 HA THR A 191 -13.319 -2.738 0.731 1.00 0.00 H new ATOM 0 HB THR A 191 -11.940 -3.702 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 191 -13.306 -5.557 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 191 -14.150 -4.208 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 191 -13.952 -2.451 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 191 -14.950 -3.373 2.853 1.00 0.00 H new ATOM 303 N THR A 192 -11.942 -0.413 2.444 1.00 0.00 N ATOM 304 CA THR A 192 -12.124 0.936 2.950 1.00 0.00 C ATOM 305 C THR A 192 -12.442 1.899 1.804 1.00 0.00 C ATOM 306 O THR A 192 -13.367 2.704 1.904 1.00 0.00 O ATOM 307 CB THR A 192 -10.867 1.320 3.735 1.00 0.00 C ATOM 308 OG1 THR A 192 -11.313 1.403 5.085 1.00 0.00 O ATOM 309 CG2 THR A 192 -10.386 2.736 3.413 1.00 0.00 C ATOM 0 H THR A 192 -10.973 -0.729 2.410 1.00 0.00 H new ATOM 0 HA THR A 192 -12.978 0.992 3.626 1.00 0.00 H new ATOM 0 HB THR A 192 -10.071 0.608 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 192 -10.560 1.646 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 192 -9.492 2.958 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 192 -10.153 2.808 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 192 -11.169 3.452 3.663 1.00 0.00 H new ATOM 317 N THR A 193 -11.659 1.782 0.742 1.00 0.00 N ATOM 318 CA THR A 193 -11.846 2.631 -0.422 1.00 0.00 C ATOM 319 C THR A 193 -12.770 1.952 -1.435 1.00 0.00 C ATOM 320 O THR A 193 -12.807 0.726 -1.522 1.00 0.00 O ATOM 321 CB THR A 193 -10.465 2.968 -0.989 1.00 0.00 C ATOM 322 OG1 THR A 193 -10.405 4.390 -0.936 1.00 0.00 O ATOM 323 CG2 THR A 193 -10.350 2.644 -2.480 1.00 0.00 C ATOM 0 H THR A 193 -10.894 1.112 0.663 1.00 0.00 H new ATOM 0 HA THR A 193 -12.340 3.565 -0.155 1.00 0.00 H new ATOM 0 HB THR A 193 -9.702 2.418 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 193 -9.541 4.694 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 193 -9.351 2.902 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 193 -10.526 1.580 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 193 -11.091 3.219 -3.036 1.00 0.00 H new ATOM 331 N LYS A 194 -13.493 2.779 -2.175 1.00 0.00 N ATOM 332 CA LYS A 194 -14.414 2.274 -3.179 1.00 0.00 C ATOM 333 C LYS A 194 -15.129 1.037 -2.632 1.00 0.00 C ATOM 334 O LYS A 194 -14.765 -0.091 -2.961 1.00 0.00 O ATOM 335 CB LYS A 194 -13.685 2.029 -4.501 1.00 0.00 C ATOM 336 CG LYS A 194 -13.591 3.316 -5.322 1.00 0.00 C ATOM 337 CD LYS A 194 -13.042 3.034 -6.722 1.00 0.00 C ATOM 338 CE LYS A 194 -14.161 2.615 -7.677 1.00 0.00 C ATOM 339 NZ LYS A 194 -14.245 3.551 -8.821 1.00 0.00 N ATOM 0 H LYS A 194 -13.460 3.796 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 194 -15.182 3.016 -3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -12.684 1.646 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -14.211 1.265 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -14.577 3.775 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -12.946 4.031 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -12.545 3.924 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -12.290 2.246 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -13.978 1.604 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -15.112 2.595 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -15.010 3.252 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -14.442 4.510 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -13.342 3.550 -9.338 1.00 0.00 H new ATOM 353 N GLY A 195 -16.133 1.290 -1.806 1.00 0.00 N ATOM 354 CA GLY A 195 -16.903 0.210 -1.210 1.00 0.00 C ATOM 355 C GLY A 195 -18.075 0.758 -0.395 1.00 0.00 C ATOM 356 O GLY A 195 -19.119 1.096 -0.952 1.00 0.00 O ATOM 0 H GLY A 195 -16.432 2.227 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -17.277 -0.450 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -16.258 -0.390 -0.568 1.00 0.00 H new TER 360 GLY A 195