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 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc= -0.0083 X(o=-0.0083,f=-0.0083) USER MOD Single : A 177 HIS : no HD1:sc=-0.00359 X(o=-0.0036,f=-0.49) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.097) 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= -1.61 K(o=-1.6,f=-6.2!) USER MOD Single : A 187 HIS : no HD1:sc= -3.53 K(o=-3.5,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 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 15.708 -3.075 2.019 1.00 0.00 N ATOM 2 CA ASN A 173 14.949 -3.252 3.245 1.00 0.00 C ATOM 3 C ASN A 173 14.202 -1.958 3.570 1.00 0.00 C ATOM 4 O ASN A 173 12.980 -1.961 3.708 1.00 0.00 O ATOM 5 CB ASN A 173 15.871 -3.575 4.422 1.00 0.00 C ATOM 6 CG ASN A 173 15.497 -4.912 5.063 1.00 0.00 C ATOM 7 OD1 ASN A 173 14.524 -5.030 5.790 1.00 0.00 O ATOM 8 ND2 ASN A 173 16.319 -5.910 4.754 1.00 0.00 N ATOM 0 HA ASN A 173 14.254 -4.078 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 173 16.905 -3.609 4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 173 15.808 -2.781 5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 173 16.153 -6.843 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 173 17.116 -5.743 4.139 1.00 0.00 H new ATOM 15 N ASN A 174 14.968 -0.883 3.682 1.00 0.00 N ATOM 16 CA ASN A 174 14.394 0.417 3.988 1.00 0.00 C ATOM 17 C ASN A 174 13.662 0.950 2.755 1.00 0.00 C ATOM 18 O ASN A 174 12.441 1.095 2.767 1.00 0.00 O ATOM 19 CB ASN A 174 15.481 1.425 4.366 1.00 0.00 C ATOM 20 CG ASN A 174 16.391 0.865 5.461 1.00 0.00 C ATOM 21 OD1 ASN A 174 17.516 0.460 5.222 1.00 0.00 O ATOM 22 ND2 ASN A 174 15.842 0.865 6.672 1.00 0.00 N ATOM 0 H ASN A 174 15.981 -0.885 3.566 1.00 0.00 H new ATOM 0 HA ASN A 174 13.710 0.294 4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 174 16.075 1.672 3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 174 15.020 2.351 4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 174 16.369 0.511 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 174 14.894 1.219 6.802 1.00 0.00 H new ATOM 29 N PHE A 175 14.440 1.226 1.718 1.00 0.00 N ATOM 30 CA PHE A 175 13.882 1.740 0.479 1.00 0.00 C ATOM 31 C PHE A 175 12.659 0.926 0.050 1.00 0.00 C ATOM 32 O PHE A 175 11.723 1.469 -0.534 1.00 0.00 O ATOM 33 CB PHE A 175 14.968 1.608 -0.590 1.00 0.00 C ATOM 34 CG PHE A 175 15.512 0.188 -0.751 1.00 0.00 C ATOM 35 CD1 PHE A 175 14.900 -0.683 -1.597 1.00 0.00 C ATOM 36 CD2 PHE A 175 16.609 -0.205 -0.049 1.00 0.00 C ATOM 37 CE1 PHE A 175 15.405 -2.002 -1.749 1.00 0.00 C ATOM 38 CE2 PHE A 175 17.115 -1.524 -0.199 1.00 0.00 C ATOM 39 CZ PHE A 175 16.502 -2.394 -1.046 1.00 0.00 C ATOM 0 H PHE A 175 15.453 1.103 1.711 1.00 0.00 H new ATOM 0 HA PHE A 175 13.568 2.775 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 175 14.565 1.942 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.792 2.276 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 175 14.029 -0.372 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 175 17.096 0.486 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 175 14.919 -2.693 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 175 17.986 -1.836 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 175 16.886 -3.397 -1.161 1.00 0.00 H new ATOM 49 N VAL A 176 12.708 -0.362 0.357 1.00 0.00 N ATOM 50 CA VAL A 176 11.616 -1.255 0.010 1.00 0.00 C ATOM 51 C VAL A 176 10.438 -1.003 0.953 1.00 0.00 C ATOM 52 O VAL A 176 9.334 -0.696 0.505 1.00 0.00 O ATOM 53 CB VAL A 176 12.100 -2.706 0.033 1.00 0.00 C ATOM 54 CG1 VAL A 176 10.953 -3.662 0.368 1.00 0.00 C ATOM 55 CG2 VAL A 176 12.760 -3.085 -1.295 1.00 0.00 C ATOM 0 H VAL A 176 13.487 -0.808 0.842 1.00 0.00 H new ATOM 0 HA VAL A 176 11.269 -1.058 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 176 12.851 -2.796 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 176 11.324 -4.687 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 176 10.547 -3.414 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.169 -3.567 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 176 13.095 -4.121 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 176 12.040 -2.970 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 176 13.616 -2.434 -1.475 1.00 0.00 H new ATOM 65 N HIS A 177 10.712 -1.143 2.242 1.00 0.00 N ATOM 66 CA HIS A 177 9.688 -0.935 3.252 1.00 0.00 C ATOM 67 C HIS A 177 8.871 0.312 2.905 1.00 0.00 C ATOM 68 O HIS A 177 7.693 0.401 3.246 1.00 0.00 O ATOM 69 CB HIS A 177 10.309 -0.867 4.648 1.00 0.00 C ATOM 70 CG HIS A 177 9.310 -1.002 5.772 1.00 0.00 C ATOM 71 ND1 HIS A 177 8.397 -0.010 6.088 1.00 0.00 N ATOM 72 CD2 HIS A 177 9.088 -2.023 6.650 1.00 0.00 C ATOM 73 CE1 HIS A 177 7.666 -0.425 7.112 1.00 0.00 C ATOM 74 NE2 HIS A 177 8.095 -1.672 7.459 1.00 0.00 N ATOM 0 H HIS A 177 11.628 -1.398 2.610 1.00 0.00 H new ATOM 0 HA HIS A 177 9.004 -1.784 3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.055 -1.657 4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 177 10.835 0.082 4.755 1.00 0.00 H new ATOM 0 HD2 HIS A 177 9.628 -2.958 6.682 1.00 0.00 H new ATOM 0 HE1 HIS A 177 6.870 0.128 7.588 1.00 0.00 H new ATOM 0 HE2 HIS A 177 7.716 -2.241 8.215 1.00 0.00 H new ATOM 83 N ASP A 178 9.530 1.243 2.231 1.00 0.00 N ATOM 84 CA ASP A 178 8.880 2.481 1.834 1.00 0.00 C ATOM 85 C ASP A 178 7.983 2.215 0.623 1.00 0.00 C ATOM 86 O ASP A 178 6.827 2.636 0.597 1.00 0.00 O ATOM 87 CB ASP A 178 9.908 3.541 1.437 1.00 0.00 C ATOM 88 CG ASP A 178 9.487 4.986 1.711 1.00 0.00 C ATOM 89 OD1 ASP A 178 9.071 5.247 2.861 1.00 0.00 O ATOM 90 OD2 ASP A 178 9.590 5.796 0.765 1.00 0.00 O ATOM 0 H ASP A 178 10.507 1.165 1.950 1.00 0.00 H new ATOM 0 HA ASP A 178 8.299 2.843 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.837 3.342 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 178 10.123 3.437 0.373 1.00 0.00 H new ATOM 95 N CYS A 179 8.550 1.517 -0.350 1.00 0.00 N ATOM 96 CA CYS A 179 7.816 1.191 -1.561 1.00 0.00 C ATOM 97 C CYS A 179 6.648 0.276 -1.184 1.00 0.00 C ATOM 98 O CYS A 179 5.540 0.437 -1.692 1.00 0.00 O ATOM 99 CB CYS A 179 8.721 0.553 -2.617 1.00 0.00 C ATOM 100 SG CYS A 179 8.461 1.363 -4.237 1.00 0.00 S ATOM 0 H CYS A 179 9.508 1.168 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 179 7.430 2.105 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.765 0.647 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.507 -0.513 -2.696 1.00 0.00 H new ATOM 0 HG CYS A 179 9.236 0.815 -5.125 1.00 0.00 H new ATOM 106 N VAL A 180 6.938 -0.664 -0.296 1.00 0.00 N ATOM 107 CA VAL A 180 5.926 -1.603 0.156 1.00 0.00 C ATOM 108 C VAL A 180 4.656 -0.838 0.531 1.00 0.00 C ATOM 109 O VAL A 180 3.667 -0.873 -0.200 1.00 0.00 O ATOM 110 CB VAL A 180 6.474 -2.451 1.306 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.395 -2.713 2.357 1.00 0.00 C ATOM 112 CG2 VAL A 180 7.066 -3.763 0.787 1.00 0.00 C ATOM 0 H VAL A 180 7.859 -0.795 0.122 1.00 0.00 H new ATOM 0 HA VAL A 180 5.664 -2.295 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 180 7.276 -1.889 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 180 5.811 -3.318 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.042 -1.764 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 180 4.561 -3.244 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 180 7.448 -4.346 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 180 6.293 -4.332 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 180 7.880 -3.546 0.095 1.00 0.00 H new ATOM 122 N ASN A 181 4.724 -0.163 1.669 1.00 0.00 N ATOM 123 CA ASN A 181 3.591 0.610 2.150 1.00 0.00 C ATOM 124 C ASN A 181 3.071 1.501 1.020 1.00 0.00 C ATOM 125 O ASN A 181 1.866 1.569 0.782 1.00 0.00 O ATOM 126 CB ASN A 181 3.997 1.513 3.316 1.00 0.00 C ATOM 127 CG ASN A 181 2.859 1.642 4.331 1.00 0.00 C ATOM 128 OD1 ASN A 181 3.059 1.605 5.534 1.00 0.00 O ATOM 129 ND2 ASN A 181 1.658 1.793 3.782 1.00 0.00 N ATOM 0 H ASN A 181 5.546 -0.135 2.272 1.00 0.00 H new ATOM 0 HA ASN A 181 2.823 -0.088 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 181 4.881 1.105 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.267 2.500 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 181 0.834 1.886 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 181 1.560 1.816 2.767 1.00 0.00 H new ATOM 136 N ILE A 182 4.006 2.162 0.353 1.00 0.00 N ATOM 137 CA ILE A 182 3.657 3.046 -0.746 1.00 0.00 C ATOM 138 C ILE A 182 2.780 2.289 -1.745 1.00 0.00 C ATOM 139 O ILE A 182 1.950 2.887 -2.427 1.00 0.00 O ATOM 140 CB ILE A 182 4.917 3.651 -1.368 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.556 4.675 -0.427 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.618 4.247 -2.745 1.00 0.00 C ATOM 143 CD1 ILE A 182 7.038 4.867 -0.752 1.00 0.00 C ATOM 0 H ILE A 182 5.005 2.103 0.553 1.00 0.00 H new ATOM 0 HA ILE A 182 3.071 3.891 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 182 5.643 2.851 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.035 5.628 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.446 4.344 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.531 4.670 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 182 4.243 3.466 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.867 5.031 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 182 7.468 5.599 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 182 7.561 3.917 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 182 7.143 5.222 -1.777 1.00 0.00 H new ATOM 155 N THR A 183 2.997 0.983 -1.802 1.00 0.00 N ATOM 156 CA THR A 183 2.237 0.138 -2.707 1.00 0.00 C ATOM 157 C THR A 183 0.955 -0.352 -2.031 1.00 0.00 C ATOM 158 O THR A 183 -0.082 -0.485 -2.679 1.00 0.00 O ATOM 159 CB THR A 183 3.150 -1.000 -3.172 1.00 0.00 C ATOM 160 OG1 THR A 183 2.884 -1.112 -4.566 1.00 0.00 O ATOM 161 CG2 THR A 183 2.733 -2.357 -2.601 1.00 0.00 C ATOM 0 H THR A 183 3.688 0.490 -1.236 1.00 0.00 H new ATOM 0 HA THR A 183 1.912 0.694 -3.586 1.00 0.00 H new ATOM 0 HB THR A 183 4.177 -0.784 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 183 3.436 -1.826 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 183 3.413 -3.128 -2.962 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.771 -2.321 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.718 -2.590 -2.921 1.00 0.00 H new ATOM 169 N ILE A 184 1.067 -0.605 -0.735 1.00 0.00 N ATOM 170 CA ILE A 184 -0.070 -1.076 0.037 1.00 0.00 C ATOM 171 C ILE A 184 -1.006 0.099 0.326 1.00 0.00 C ATOM 172 O ILE A 184 -2.133 -0.097 0.780 1.00 0.00 O ATOM 173 CB ILE A 184 0.401 -1.810 1.293 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.532 -2.975 1.631 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.559 -0.842 2.468 1.00 0.00 C ATOM 176 CD1 ILE A 184 0.247 -4.145 2.234 1.00 0.00 C ATOM 0 H ILE A 184 1.928 -0.493 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.642 -1.807 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 184 1.385 -2.234 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -1.296 -2.642 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -1.050 -3.304 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 184 0.895 -1.390 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.294 -0.078 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.399 -0.367 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.440 -4.959 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 184 0.994 -4.492 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 184 0.743 -3.819 3.148 1.00 0.00 H new ATOM 188 N LYS A 185 -0.506 1.295 0.053 1.00 0.00 N ATOM 189 CA LYS A 185 -1.283 2.501 0.279 1.00 0.00 C ATOM 190 C LYS A 185 -2.751 2.227 -0.053 1.00 0.00 C ATOM 191 O LYS A 185 -3.611 2.285 0.824 1.00 0.00 O ATOM 192 CB LYS A 185 -0.685 3.676 -0.499 1.00 0.00 C ATOM 193 CG LYS A 185 -1.149 5.012 0.086 1.00 0.00 C ATOM 194 CD LYS A 185 -0.011 5.704 0.841 1.00 0.00 C ATOM 195 CE LYS A 185 -0.057 7.218 0.633 1.00 0.00 C ATOM 196 NZ LYS A 185 1.295 7.741 0.329 1.00 0.00 N ATOM 0 H LYS A 185 0.429 1.454 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.243 2.790 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.403 3.620 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.980 3.611 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.506 5.660 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.989 4.846 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.084 5.477 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.948 5.315 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.738 7.458 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.448 7.702 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.246 8.771 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.936 7.528 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.654 7.292 -0.538 1.00 0.00 H new ATOM 210 N GLN A 186 -2.992 1.932 -1.323 1.00 0.00 N ATOM 211 CA GLN A 186 -4.341 1.649 -1.781 1.00 0.00 C ATOM 212 C GLN A 186 -4.919 0.453 -1.022 1.00 0.00 C ATOM 213 O GLN A 186 -6.082 0.473 -0.619 1.00 0.00 O ATOM 214 CB GLN A 186 -4.367 1.404 -3.291 1.00 0.00 C ATOM 215 CG GLN A 186 -4.875 2.639 -4.039 1.00 0.00 C ATOM 216 CD GLN A 186 -6.360 2.876 -3.759 1.00 0.00 C ATOM 217 OE1 GLN A 186 -6.775 3.119 -2.638 1.00 0.00 O ATOM 218 NE2 GLN A 186 -7.134 2.792 -4.837 1.00 0.00 N ATOM 0 H GLN A 186 -2.276 1.883 -2.048 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.964 2.520 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -3.366 1.150 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -5.008 0.551 -3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -4.300 3.514 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.719 2.510 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -6.721 2.585 -5.746 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -8.141 2.934 -4.754 1.00 0.00 H new ATOM 227 N HIS A 187 -4.082 -0.558 -0.849 1.00 0.00 N ATOM 228 CA HIS A 187 -4.496 -1.761 -0.145 1.00 0.00 C ATOM 229 C HIS A 187 -5.376 -1.380 1.047 1.00 0.00 C ATOM 230 O HIS A 187 -6.567 -1.689 1.068 1.00 0.00 O ATOM 231 CB HIS A 187 -3.281 -2.599 0.259 1.00 0.00 C ATOM 232 CG HIS A 187 -3.585 -4.065 0.455 1.00 0.00 C ATOM 233 ND1 HIS A 187 -4.801 -4.631 0.114 1.00 0.00 N ATOM 234 CD2 HIS A 187 -2.818 -5.074 0.959 1.00 0.00 C ATOM 235 CE1 HIS A 187 -4.758 -5.923 0.405 1.00 0.00 C ATOM 236 NE2 HIS A 187 -3.528 -6.196 0.928 1.00 0.00 N ATOM 0 H HIS A 187 -3.119 -0.570 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 187 -5.093 -2.388 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.511 -2.497 -0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -2.867 -2.197 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -1.805 -4.977 1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -5.556 -6.635 0.255 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -3.207 -7.111 1.243 1.00 0.00 H new ATOM 245 N THR A 188 -4.756 -0.714 2.011 1.00 0.00 N ATOM 246 CA THR A 188 -5.469 -0.288 3.203 1.00 0.00 C ATOM 247 C THR A 188 -6.748 0.459 2.822 1.00 0.00 C ATOM 248 O THR A 188 -7.765 0.347 3.506 1.00 0.00 O ATOM 249 CB THR A 188 -4.509 0.546 4.054 1.00 0.00 C ATOM 250 OG1 THR A 188 -4.121 -0.335 5.105 1.00 0.00 O ATOM 251 CG2 THR A 188 -5.215 1.698 4.774 1.00 0.00 C ATOM 0 H THR A 188 -3.769 -0.459 1.990 1.00 0.00 H new ATOM 0 HA THR A 188 -5.794 -1.143 3.796 1.00 0.00 H new ATOM 0 HB THR A 188 -3.716 0.945 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 188 -3.496 0.125 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 188 -4.489 2.258 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 188 -5.674 2.360 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 188 -5.986 1.298 5.433 1.00 0.00 H new ATOM 259 N VAL A 189 -6.657 1.206 1.731 1.00 0.00 N ATOM 260 CA VAL A 189 -7.795 1.971 1.251 1.00 0.00 C ATOM 261 C VAL A 189 -8.531 1.164 0.179 1.00 0.00 C ATOM 262 O VAL A 189 -9.236 1.731 -0.656 1.00 0.00 O ATOM 263 CB VAL A 189 -7.332 3.342 0.753 1.00 0.00 C ATOM 264 CG1 VAL A 189 -8.489 4.342 0.743 1.00 0.00 C ATOM 265 CG2 VAL A 189 -6.162 3.863 1.592 1.00 0.00 C ATOM 0 H VAL A 189 -5.813 1.297 1.166 1.00 0.00 H new ATOM 0 HA VAL A 189 -8.500 2.155 2.062 1.00 0.00 H new ATOM 0 HB VAL A 189 -6.983 3.226 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -8.132 5.308 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -9.278 3.979 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -8.883 4.453 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -5.852 4.839 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -6.473 3.956 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.327 3.166 1.524 1.00 0.00 H new ATOM 275 N THR A 190 -8.342 -0.146 0.237 1.00 0.00 N ATOM 276 CA THR A 190 -8.980 -1.036 -0.718 1.00 0.00 C ATOM 277 C THR A 190 -9.866 -2.051 0.007 1.00 0.00 C ATOM 278 O THR A 190 -11.082 -2.056 -0.169 1.00 0.00 O ATOM 279 CB THR A 190 -7.882 -1.685 -1.566 1.00 0.00 C ATOM 280 OG1 THR A 190 -8.003 -1.048 -2.834 1.00 0.00 O ATOM 281 CG2 THR A 190 -8.164 -3.160 -1.860 1.00 0.00 C ATOM 0 H THR A 190 -7.757 -0.612 0.930 1.00 0.00 H new ATOM 0 HA THR A 190 -9.646 -0.488 -1.385 1.00 0.00 H new ATOM 0 HB THR A 190 -6.925 -1.595 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 190 -7.327 -1.407 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.355 -3.572 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 190 -8.233 -3.711 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 190 -9.105 -3.249 -2.404 1.00 0.00 H new ATOM 289 N THR A 191 -9.220 -2.886 0.809 1.00 0.00 N ATOM 290 CA THR A 191 -9.935 -3.902 1.562 1.00 0.00 C ATOM 291 C THR A 191 -11.116 -3.281 2.310 1.00 0.00 C ATOM 292 O THR A 191 -12.127 -3.942 2.540 1.00 0.00 O ATOM 293 CB THR A 191 -8.931 -4.600 2.483 1.00 0.00 C ATOM 294 OG1 THR A 191 -8.413 -5.664 1.689 1.00 0.00 O ATOM 295 CG2 THR A 191 -9.609 -5.307 3.659 1.00 0.00 C ATOM 0 H THR A 191 -8.210 -2.879 0.953 1.00 0.00 H new ATOM 0 HA THR A 191 -10.369 -4.652 0.901 1.00 0.00 H new ATOM 0 HB THR A 191 -8.217 -3.869 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 191 -7.752 -6.168 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 191 -8.853 -5.786 4.281 1.00 0.00 H new ATOM 0 HG22 THR A 191 -10.159 -4.578 4.254 1.00 0.00 H new ATOM 0 HG23 THR A 191 -10.299 -6.062 3.281 1.00 0.00 H new ATOM 303 N THR A 192 -10.948 -2.016 2.670 1.00 0.00 N ATOM 304 CA THR A 192 -11.987 -1.298 3.387 1.00 0.00 C ATOM 305 C THR A 192 -12.965 -0.652 2.402 1.00 0.00 C ATOM 306 O THR A 192 -14.144 -1.006 2.370 1.00 0.00 O ATOM 307 CB THR A 192 -11.310 -0.292 4.319 1.00 0.00 C ATOM 308 OG1 THR A 192 -11.571 -0.798 5.625 1.00 0.00 O ATOM 309 CG2 THR A 192 -11.998 1.075 4.304 1.00 0.00 C ATOM 0 H THR A 192 -10.108 -1.471 2.478 1.00 0.00 H new ATOM 0 HA THR A 192 -12.587 -1.974 3.996 1.00 0.00 H new ATOM 0 HB THR A 192 -10.265 -0.176 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 192 -11.165 -0.206 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 192 -11.478 1.751 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 192 -11.973 1.484 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 192 -13.034 0.965 4.625 1.00 0.00 H new ATOM 317 N THR A 193 -12.440 0.283 1.625 1.00 0.00 N ATOM 318 CA THR A 193 -13.252 0.982 0.643 1.00 0.00 C ATOM 319 C THR A 193 -13.162 0.285 -0.717 1.00 0.00 C ATOM 320 O THR A 193 -12.069 -0.023 -1.188 1.00 0.00 O ATOM 321 CB THR A 193 -12.800 2.442 0.608 1.00 0.00 C ATOM 322 OG1 THR A 193 -13.973 3.178 0.946 1.00 0.00 O ATOM 323 CG2 THR A 193 -12.457 2.916 -0.805 1.00 0.00 C ATOM 0 H THR A 193 -11.463 0.573 1.655 1.00 0.00 H new ATOM 0 HA THR A 193 -14.307 0.960 0.915 1.00 0.00 H new ATOM 0 HB THR A 193 -11.931 2.567 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 193 -13.769 4.136 0.948 1.00 0.00 H new ATOM 0 HG21 THR A 193 -12.142 3.959 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 193 -11.649 2.305 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 193 -13.335 2.822 -1.444 1.00 0.00 H new ATOM 331 N LYS A 194 -14.325 0.057 -1.308 1.00 0.00 N ATOM 332 CA LYS A 194 -14.391 -0.597 -2.602 1.00 0.00 C ATOM 333 C LYS A 194 -13.362 -1.728 -2.651 1.00 0.00 C ATOM 334 O LYS A 194 -12.235 -1.529 -3.101 1.00 0.00 O ATOM 335 CB LYS A 194 -14.232 0.427 -3.729 1.00 0.00 C ATOM 336 CG LYS A 194 -15.574 1.076 -4.072 1.00 0.00 C ATOM 337 CD LYS A 194 -15.904 0.903 -5.557 1.00 0.00 C ATOM 338 CE LYS A 194 -16.435 2.206 -6.156 1.00 0.00 C ATOM 339 NZ LYS A 194 -17.574 1.934 -7.061 1.00 0.00 N ATOM 0 H LYS A 194 -15.230 0.314 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 194 -15.371 -1.050 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -13.518 1.195 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -13.823 -0.061 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -16.363 0.630 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -15.543 2.137 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -15.011 0.588 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -16.646 0.114 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -16.750 2.878 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -15.640 2.712 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -17.923 2.829 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -17.263 1.310 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -18.338 1.471 -6.528 1.00 0.00 H new ATOM 353 N GLY A 195 -13.787 -2.893 -2.181 1.00 0.00 N ATOM 354 CA GLY A 195 -12.917 -4.055 -2.164 1.00 0.00 C ATOM 355 C GLY A 195 -12.158 -4.191 -3.486 1.00 0.00 C ATOM 356 O GLY A 195 -11.470 -5.185 -3.712 1.00 0.00 O ATOM 0 H GLY A 195 -14.723 -3.056 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.208 -3.971 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.508 -4.953 -1.986 1.00 0.00 H new TER 360 GLY A 195