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 X(o=0,f=0) USER MOD Single : A 177 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.37) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= -1.65 K(o=-1.6,f=-0.16) 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= -0.216 X(o=-0.22,f=-0.23) USER MOD Single : A 187 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.86) 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= 0.00471 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 16.143 -2.723 1.235 1.00 0.00 N ATOM 2 CA ASN A 173 15.320 -3.086 2.375 1.00 0.00 C ATOM 3 C ASN A 173 14.648 -1.830 2.935 1.00 0.00 C ATOM 4 O ASN A 173 13.435 -1.807 3.135 1.00 0.00 O ATOM 5 CB ASN A 173 16.165 -3.706 3.490 1.00 0.00 C ATOM 6 CG ASN A 173 15.672 -5.113 3.833 1.00 0.00 C ATOM 7 OD1 ASN A 173 15.052 -5.349 4.857 1.00 0.00 O ATOM 8 ND2 ASN A 173 15.982 -6.033 2.923 1.00 0.00 N ATOM 0 HA ASN A 173 14.579 -3.811 2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 173 17.209 -3.748 3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 173 16.122 -3.075 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 173 15.698 -7.003 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 173 16.503 -5.768 2.087 1.00 0.00 H new ATOM 15 N ASN A 174 15.467 -0.816 3.172 1.00 0.00 N ATOM 16 CA ASN A 174 14.967 0.440 3.705 1.00 0.00 C ATOM 17 C ASN A 174 14.140 1.152 2.632 1.00 0.00 C ATOM 18 O ASN A 174 13.020 1.586 2.895 1.00 0.00 O ATOM 19 CB ASN A 174 16.118 1.366 4.104 1.00 0.00 C ATOM 20 CG ASN A 174 17.097 0.652 5.039 1.00 0.00 C ATOM 21 OD1 ASN A 174 18.160 0.204 4.642 1.00 0.00 O ATOM 22 ND2 ASN A 174 16.680 0.570 6.299 1.00 0.00 N ATOM 0 H ASN A 174 16.473 -0.838 3.005 1.00 0.00 H new ATOM 0 HA ASN A 174 14.362 0.216 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 174 16.644 1.704 3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 174 15.721 2.254 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 174 17.262 0.111 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 174 15.779 0.967 6.565 1.00 0.00 H new ATOM 29 N PHE A 175 14.724 1.247 1.446 1.00 0.00 N ATOM 30 CA PHE A 175 14.055 1.897 0.333 1.00 0.00 C ATOM 31 C PHE A 175 12.781 1.144 -0.056 1.00 0.00 C ATOM 32 O PHE A 175 11.723 1.750 -0.220 1.00 0.00 O ATOM 33 CB PHE A 175 15.027 1.876 -0.847 1.00 0.00 C ATOM 34 CG PHE A 175 15.487 0.472 -1.250 1.00 0.00 C ATOM 35 CD1 PHE A 175 14.784 -0.235 -2.173 1.00 0.00 C ATOM 36 CD2 PHE A 175 16.599 -0.066 -0.682 1.00 0.00 C ATOM 37 CE1 PHE A 175 15.211 -1.537 -2.546 1.00 0.00 C ATOM 38 CE2 PHE A 175 17.026 -1.369 -1.055 1.00 0.00 C ATOM 39 CZ PHE A 175 16.323 -2.076 -1.980 1.00 0.00 C ATOM 0 H PHE A 175 15.653 0.884 1.232 1.00 0.00 H new ATOM 0 HA PHE A 175 13.774 2.913 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 175 14.551 2.352 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.902 2.475 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 175 13.900 0.193 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 175 17.157 0.496 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 175 14.652 -2.099 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 175 17.909 -1.798 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 175 16.648 -3.066 -2.265 1.00 0.00 H new ATOM 49 N VAL A 176 12.925 -0.166 -0.195 1.00 0.00 N ATOM 50 CA VAL A 176 11.798 -1.007 -0.562 1.00 0.00 C ATOM 51 C VAL A 176 10.694 -0.860 0.485 1.00 0.00 C ATOM 52 O VAL A 176 9.531 -0.651 0.141 1.00 0.00 O ATOM 53 CB VAL A 176 12.264 -2.455 -0.741 1.00 0.00 C ATOM 54 CG1 VAL A 176 12.018 -3.270 0.529 1.00 0.00 C ATOM 55 CG2 VAL A 176 11.586 -3.103 -1.949 1.00 0.00 C ATOM 0 H VAL A 176 13.804 -0.665 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 176 11.381 -0.692 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 176 13.338 -2.442 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 176 12.358 -4.294 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 176 12.568 -2.826 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.953 -3.272 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 176 11.934 -4.131 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 176 10.506 -3.099 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 176 11.834 -2.542 -2.850 1.00 0.00 H new ATOM 65 N HIS A 177 11.095 -0.974 1.743 1.00 0.00 N ATOM 66 CA HIS A 177 10.154 -0.855 2.843 1.00 0.00 C ATOM 67 C HIS A 177 9.220 0.331 2.593 1.00 0.00 C ATOM 68 O HIS A 177 8.061 0.309 3.003 1.00 0.00 O ATOM 69 CB HIS A 177 10.890 -0.759 4.181 1.00 0.00 C ATOM 70 CG HIS A 177 9.976 -0.655 5.378 1.00 0.00 C ATOM 71 ND1 HIS A 177 10.045 -1.525 6.452 1.00 0.00 N ATOM 72 CD2 HIS A 177 8.974 0.226 5.661 1.00 0.00 C ATOM 73 CE1 HIS A 177 9.121 -1.176 7.334 1.00 0.00 C ATOM 74 NE2 HIS A 177 8.458 -0.090 6.842 1.00 0.00 N ATOM 0 H HIS A 177 12.060 -1.148 2.025 1.00 0.00 H new ATOM 0 HA HIS A 177 9.538 -1.753 2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.526 -1.636 4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 177 11.547 0.111 4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 177 8.655 1.043 5.031 1.00 0.00 H new ATOM 0 HE1 HIS A 177 8.926 -1.665 8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 177 7.692 0.399 7.306 1.00 0.00 H new ATOM 83 N ASP A 178 9.761 1.338 1.924 1.00 0.00 N ATOM 84 CA ASP A 178 8.991 2.531 1.615 1.00 0.00 C ATOM 85 C ASP A 178 8.016 2.224 0.476 1.00 0.00 C ATOM 86 O ASP A 178 6.847 2.601 0.535 1.00 0.00 O ATOM 87 CB ASP A 178 9.903 3.673 1.163 1.00 0.00 C ATOM 88 CG ASP A 178 9.393 5.077 1.495 1.00 0.00 C ATOM 89 OD1 ASP A 178 9.270 5.365 2.707 1.00 0.00 O ATOM 90 OD2 ASP A 178 9.139 5.831 0.532 1.00 0.00 O ATOM 0 H ASP A 178 10.724 1.353 1.587 1.00 0.00 H new ATOM 0 HA ASP A 178 8.458 2.831 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.882 3.540 1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 178 10.045 3.600 0.085 1.00 0.00 H new ATOM 95 N CYS A 179 8.535 1.541 -0.535 1.00 0.00 N ATOM 96 CA CYS A 179 7.726 1.179 -1.686 1.00 0.00 C ATOM 97 C CYS A 179 6.616 0.236 -1.216 1.00 0.00 C ATOM 98 O CYS A 179 5.466 0.372 -1.627 1.00 0.00 O ATOM 99 CB CYS A 179 8.571 0.554 -2.798 1.00 0.00 C ATOM 100 SG CYS A 179 8.157 1.324 -4.405 1.00 0.00 S ATOM 0 H CYS A 179 9.505 1.229 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 179 7.282 2.076 -2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.631 0.691 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.391 -0.520 -2.843 1.00 0.00 H new ATOM 0 HG CYS A 179 8.881 0.788 -5.342 1.00 0.00 H new ATOM 106 N VAL A 180 7.001 -0.699 -0.359 1.00 0.00 N ATOM 107 CA VAL A 180 6.053 -1.664 0.171 1.00 0.00 C ATOM 108 C VAL A 180 4.804 -0.929 0.660 1.00 0.00 C ATOM 109 O VAL A 180 3.760 -0.972 0.011 1.00 0.00 O ATOM 110 CB VAL A 180 6.717 -2.504 1.264 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.732 -2.816 2.392 1.00 0.00 C ATOM 112 CG2 VAL A 180 7.311 -3.789 0.683 1.00 0.00 C ATOM 0 H VAL A 180 7.956 -0.808 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 180 5.739 -2.358 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 180 7.534 -1.918 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 180 6.230 -3.414 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.378 -1.885 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 180 4.884 -3.372 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 180 7.777 -4.368 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 180 6.520 -4.379 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 180 8.060 -3.537 -0.067 1.00 0.00 H new ATOM 122 N ASN A 181 4.951 -0.270 1.801 1.00 0.00 N ATOM 123 CA ASN A 181 3.847 0.473 2.383 1.00 0.00 C ATOM 124 C ASN A 181 3.219 1.369 1.313 1.00 0.00 C ATOM 125 O ASN A 181 1.998 1.428 1.185 1.00 0.00 O ATOM 126 CB ASN A 181 4.329 1.369 3.526 1.00 0.00 C ATOM 127 CG ASN A 181 3.277 1.457 4.634 1.00 0.00 C ATOM 128 OD1 ASN A 181 3.579 1.423 5.816 1.00 0.00 O ATOM 129 ND2 ASN A 181 2.030 1.573 4.188 1.00 0.00 N ATOM 0 H ASN A 181 5.818 -0.236 2.337 1.00 0.00 H new ATOM 0 HA ASN A 181 3.123 -0.245 2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 181 5.260 0.975 3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.545 2.367 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 181 1.256 1.640 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 181 1.847 1.595 3.185 1.00 0.00 H new ATOM 136 N ILE A 182 4.085 2.047 0.572 1.00 0.00 N ATOM 137 CA ILE A 182 3.631 2.937 -0.482 1.00 0.00 C ATOM 138 C ILE A 182 2.685 2.177 -1.414 1.00 0.00 C ATOM 139 O ILE A 182 1.773 2.765 -1.993 1.00 0.00 O ATOM 140 CB ILE A 182 4.825 3.569 -1.201 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.442 4.687 -0.360 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.430 4.054 -2.598 1.00 0.00 C ATOM 143 CD1 ILE A 182 6.817 5.084 -0.900 1.00 0.00 C ATOM 0 H ILE A 182 5.098 1.997 0.682 1.00 0.00 H new ATOM 0 HA ILE A 182 3.065 3.768 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 182 5.590 2.803 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 182 4.782 5.555 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.535 4.359 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.297 4.499 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 182 4.073 3.210 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.639 4.799 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 182 7.234 5.881 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 182 7.481 4.220 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 182 6.717 5.434 -1.927 1.00 0.00 H new ATOM 155 N THR A 183 2.933 0.881 -1.528 1.00 0.00 N ATOM 156 CA THR A 183 2.114 0.033 -2.378 1.00 0.00 C ATOM 157 C THR A 183 0.878 -0.451 -1.618 1.00 0.00 C ATOM 158 O THR A 183 -0.213 -0.520 -2.180 1.00 0.00 O ATOM 159 CB THR A 183 2.993 -1.107 -2.897 1.00 0.00 C ATOM 160 OG1 THR A 183 2.616 -1.240 -4.265 1.00 0.00 O ATOM 161 CG2 THR A 183 2.630 -2.456 -2.276 1.00 0.00 C ATOM 0 H THR A 183 3.690 0.397 -1.046 1.00 0.00 H new ATOM 0 HA THR A 183 1.733 0.586 -3.237 1.00 0.00 H new ATOM 0 HB THR A 183 4.039 -0.883 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 183 3.139 -1.957 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 183 3.284 -3.230 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.753 -2.404 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.594 -2.698 -2.512 1.00 0.00 H new ATOM 169 N ILE A 184 1.091 -0.774 -0.351 1.00 0.00 N ATOM 170 CA ILE A 184 0.008 -1.249 0.494 1.00 0.00 C ATOM 171 C ILE A 184 -0.932 -0.086 0.812 1.00 0.00 C ATOM 172 O ILE A 184 -2.059 -0.298 1.258 1.00 0.00 O ATOM 173 CB ILE A 184 0.564 -1.950 1.734 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.312 -3.140 2.131 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.744 -0.961 2.888 1.00 0.00 C ATOM 176 CD1 ILE A 184 0.516 -4.423 2.225 1.00 0.00 C ATOM 0 H ILE A 184 1.998 -0.716 0.111 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.582 -2.001 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 184 1.551 -2.344 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -0.790 -2.940 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -1.109 -3.270 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 184 1.141 -1.485 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.439 -0.176 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.219 -0.517 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.131 -5.253 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 184 0.973 -4.633 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 184 1.297 -4.298 2.976 1.00 0.00 H new ATOM 188 N LYS A 185 -0.435 1.118 0.573 1.00 0.00 N ATOM 189 CA LYS A 185 -1.216 2.316 0.831 1.00 0.00 C ATOM 190 C LYS A 185 -2.667 2.072 0.411 1.00 0.00 C ATOM 191 O LYS A 185 -3.570 2.095 1.246 1.00 0.00 O ATOM 192 CB LYS A 185 -0.575 3.530 0.154 1.00 0.00 C ATOM 193 CG LYS A 185 -1.054 4.833 0.798 1.00 0.00 C ATOM 194 CD LYS A 185 0.107 5.575 1.461 1.00 0.00 C ATOM 195 CE LYS A 185 -0.394 6.484 2.585 1.00 0.00 C ATOM 196 NZ LYS A 185 0.743 7.013 3.371 1.00 0.00 N ATOM 0 H LYS A 185 0.500 1.290 0.203 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.225 2.543 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.510 3.461 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.823 3.532 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -1.513 5.470 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.822 4.615 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 185 0.822 4.856 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.636 6.169 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.968 7.310 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -1.067 5.928 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.385 7.628 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.274 6.222 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.370 7.561 2.748 1.00 0.00 H new ATOM 210 N GLN A 186 -2.845 1.845 -0.882 1.00 0.00 N ATOM 211 CA GLN A 186 -4.171 1.598 -1.423 1.00 0.00 C ATOM 212 C GLN A 186 -4.833 0.429 -0.691 1.00 0.00 C ATOM 213 O GLN A 186 -6.024 0.476 -0.389 1.00 0.00 O ATOM 214 CB GLN A 186 -4.109 1.338 -2.929 1.00 0.00 C ATOM 215 CG GLN A 186 -4.572 2.564 -3.718 1.00 0.00 C ATOM 216 CD GLN A 186 -6.067 2.812 -3.518 1.00 0.00 C ATOM 217 OE1 GLN A 186 -6.486 3.767 -2.884 1.00 0.00 O ATOM 218 NE2 GLN A 186 -6.849 1.901 -4.092 1.00 0.00 N ATOM 0 H GLN A 186 -2.093 1.827 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.778 2.490 -1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -3.089 1.081 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -4.736 0.482 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -4.008 3.441 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.362 2.419 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -6.434 1.126 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -7.863 1.978 -4.015 1.00 0.00 H new ATOM 227 N HIS A 187 -4.032 -0.592 -0.427 1.00 0.00 N ATOM 228 CA HIS A 187 -4.525 -1.771 0.264 1.00 0.00 C ATOM 229 C HIS A 187 -5.512 -1.351 1.356 1.00 0.00 C ATOM 230 O HIS A 187 -6.701 -1.657 1.274 1.00 0.00 O ATOM 231 CB HIS A 187 -3.365 -2.610 0.805 1.00 0.00 C ATOM 232 CG HIS A 187 -3.501 -4.090 0.541 1.00 0.00 C ATOM 233 ND1 HIS A 187 -4.727 -4.728 0.470 1.00 0.00 N ATOM 234 CD2 HIS A 187 -2.555 -5.050 0.333 1.00 0.00 C ATOM 235 CE1 HIS A 187 -4.516 -6.014 0.230 1.00 0.00 C ATOM 236 NE2 HIS A 187 -3.170 -6.211 0.146 1.00 0.00 N ATOM 0 H HIS A 187 -3.044 -0.627 -0.679 1.00 0.00 H new ATOM 0 HA HIS A 187 -5.062 -2.409 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.435 -2.256 0.359 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -3.284 -2.449 1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -1.487 -4.892 0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -5.277 -6.773 0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -2.711 -7.104 -0.031 1.00 0.00 H new ATOM 245 N THR A 188 -4.982 -0.657 2.352 1.00 0.00 N ATOM 246 CA THR A 188 -5.802 -0.191 3.458 1.00 0.00 C ATOM 247 C THR A 188 -7.035 0.547 2.935 1.00 0.00 C ATOM 248 O THR A 188 -8.113 0.455 3.519 1.00 0.00 O ATOM 249 CB THR A 188 -4.921 0.665 4.371 1.00 0.00 C ATOM 250 OG1 THR A 188 -4.642 -0.184 5.481 1.00 0.00 O ATOM 251 CG2 THR A 188 -5.685 1.841 4.984 1.00 0.00 C ATOM 0 H THR A 188 -3.995 -0.406 2.417 1.00 0.00 H new ATOM 0 HA THR A 188 -6.188 -1.025 4.044 1.00 0.00 H new ATOM 0 HB THR A 188 -4.068 1.040 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 188 -4.074 0.292 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 188 -5.015 2.417 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 188 -6.067 2.481 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 188 -6.518 1.464 5.578 1.00 0.00 H new ATOM 259 N VAL A 189 -6.835 1.265 1.839 1.00 0.00 N ATOM 260 CA VAL A 189 -7.916 2.019 1.230 1.00 0.00 C ATOM 261 C VAL A 189 -8.564 1.176 0.130 1.00 0.00 C ATOM 262 O VAL A 189 -9.203 1.712 -0.774 1.00 0.00 O ATOM 263 CB VAL A 189 -7.395 3.365 0.723 1.00 0.00 C ATOM 264 CG1 VAL A 189 -8.549 4.274 0.294 1.00 0.00 C ATOM 265 CG2 VAL A 189 -6.523 4.048 1.777 1.00 0.00 C ATOM 0 H VAL A 189 -5.939 1.340 1.357 1.00 0.00 H new ATOM 0 HA VAL A 189 -8.688 2.241 1.966 1.00 0.00 H new ATOM 0 HB VAL A 189 -6.775 3.175 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -8.151 5.224 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -9.112 3.794 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -9.207 4.452 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -6.166 5.003 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -7.110 4.218 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.671 3.410 2.013 1.00 0.00 H new ATOM 275 N THR A 190 -8.377 -0.131 0.242 1.00 0.00 N ATOM 276 CA THR A 190 -8.936 -1.053 -0.732 1.00 0.00 C ATOM 277 C THR A 190 -9.880 -2.043 -0.048 1.00 0.00 C ATOM 278 O THR A 190 -11.044 -2.159 -0.428 1.00 0.00 O ATOM 279 CB THR A 190 -7.774 -1.729 -1.464 1.00 0.00 C ATOM 280 OG1 THR A 190 -7.783 -1.131 -2.757 1.00 0.00 O ATOM 281 CG2 THR A 190 -8.036 -3.211 -1.737 1.00 0.00 C ATOM 0 H THR A 190 -7.846 -0.573 0.992 1.00 0.00 H new ATOM 0 HA THR A 190 -9.544 -0.529 -1.470 1.00 0.00 H new ATOM 0 HB THR A 190 -6.864 -1.625 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 190 -7.059 -1.511 -3.298 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.181 -3.642 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 190 -8.187 -3.734 -0.793 1.00 0.00 H new ATOM 0 HG23 THR A 190 -8.928 -3.315 -2.355 1.00 0.00 H new ATOM 289 N THR A 191 -9.344 -2.732 0.949 1.00 0.00 N ATOM 290 CA THR A 191 -10.125 -3.709 1.689 1.00 0.00 C ATOM 291 C THR A 191 -11.452 -3.096 2.144 1.00 0.00 C ATOM 292 O THR A 191 -12.455 -3.798 2.262 1.00 0.00 O ATOM 293 CB THR A 191 -9.266 -4.223 2.845 1.00 0.00 C ATOM 294 OG1 THR A 191 -8.835 -3.040 3.512 1.00 0.00 O ATOM 295 CG2 THR A 191 -7.967 -4.874 2.365 1.00 0.00 C ATOM 0 H THR A 191 -8.378 -2.633 1.262 1.00 0.00 H new ATOM 0 HA THR A 191 -10.393 -4.559 1.061 1.00 0.00 H new ATOM 0 HB THR A 191 -9.839 -4.943 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 191 -8.273 -3.282 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.395 -5.222 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.201 -5.720 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.379 -4.145 1.808 1.00 0.00 H new ATOM 303 N THR A 192 -11.413 -1.794 2.387 1.00 0.00 N ATOM 304 CA THR A 192 -12.599 -1.080 2.826 1.00 0.00 C ATOM 305 C THR A 192 -13.426 -0.626 1.621 1.00 0.00 C ATOM 306 O THR A 192 -14.526 -1.128 1.394 1.00 0.00 O ATOM 307 CB THR A 192 -12.151 0.074 3.724 1.00 0.00 C ATOM 308 OG1 THR A 192 -12.607 -0.298 5.022 1.00 0.00 O ATOM 309 CG2 THR A 192 -12.899 1.375 3.424 1.00 0.00 C ATOM 0 H THR A 192 -10.579 -1.216 2.288 1.00 0.00 H new ATOM 0 HA THR A 192 -13.257 -1.727 3.407 1.00 0.00 H new ATOM 0 HB THR A 192 -11.080 0.235 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 192 -12.357 0.395 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 192 -12.543 2.161 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 192 -12.721 1.667 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 192 -13.967 1.225 3.580 1.00 0.00 H new ATOM 317 N THR A 193 -12.864 0.317 0.880 1.00 0.00 N ATOM 318 CA THR A 193 -13.535 0.844 -0.296 1.00 0.00 C ATOM 319 C THR A 193 -13.100 0.077 -1.547 1.00 0.00 C ATOM 320 O THR A 193 -11.929 -0.274 -1.688 1.00 0.00 O ATOM 321 CB THR A 193 -13.246 2.344 -0.373 1.00 0.00 C ATOM 322 OG1 THR A 193 -14.537 2.948 -0.332 1.00 0.00 O ATOM 323 CG2 THR A 193 -12.682 2.764 -1.732 1.00 0.00 C ATOM 0 H THR A 193 -11.951 0.730 1.071 1.00 0.00 H new ATOM 0 HA THR A 193 -14.615 0.709 -0.229 1.00 0.00 H new ATOM 0 HB THR A 193 -12.542 2.618 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 193 -14.444 3.923 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 193 -12.495 3.838 -1.732 1.00 0.00 H new ATOM 0 HG22 THR A 193 -11.748 2.233 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 193 -13.400 2.521 -2.515 1.00 0.00 H new ATOM 331 N LYS A 194 -14.065 -0.160 -2.423 1.00 0.00 N ATOM 332 CA LYS A 194 -13.796 -0.879 -3.656 1.00 0.00 C ATOM 333 C LYS A 194 -12.829 -2.029 -3.371 1.00 0.00 C ATOM 334 O LYS A 194 -11.616 -1.875 -3.510 1.00 0.00 O ATOM 335 CB LYS A 194 -13.305 0.082 -4.741 1.00 0.00 C ATOM 336 CG LYS A 194 -14.482 0.743 -5.461 1.00 0.00 C ATOM 337 CD LYS A 194 -14.794 0.023 -6.776 1.00 0.00 C ATOM 338 CE LYS A 194 -16.141 0.477 -7.343 1.00 0.00 C ATOM 339 NZ LYS A 194 -16.315 -0.020 -8.726 1.00 0.00 N ATOM 0 H LYS A 194 -15.035 0.133 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 194 -14.713 -1.322 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -12.671 0.848 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -12.691 -0.459 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -15.361 0.729 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -14.250 1.789 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -14.004 0.223 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -14.809 -1.054 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -16.950 0.108 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -16.199 1.565 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -17.234 0.297 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -15.553 0.353 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -16.281 -1.059 -8.728 1.00 0.00 H new ATOM 353 N GLY A 195 -13.401 -3.158 -2.978 1.00 0.00 N ATOM 354 CA GLY A 195 -12.605 -4.334 -2.672 1.00 0.00 C ATOM 355 C GLY A 195 -11.505 -4.538 -3.716 1.00 0.00 C ATOM 356 O GLY A 195 -11.511 -5.531 -4.443 1.00 0.00 O ATOM 0 H GLY A 195 -14.407 -3.283 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.158 -4.228 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.247 -5.214 -2.639 1.00 0.00 H new TER 360 GLY A 195