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= -0.0168 X(o=-0.017,f=-0.063) USER MOD Single : A 174 ASN : amide:sc= -1.54! C(o=-1.5!,f=-5!) USER MOD Single : A 177 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0084) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=-0.24) 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= -2.07 K(o=-2.1,f=-7.8!) USER MOD Single : A 187 HIS :FLIP no HD1:sc= -0.812 F(o=-1.5,f=-0.81) 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 105:sc= 1.24 USER MOD Single : A 193 THR OG1 : rot -29:sc= 0.743 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 173 17.335 -1.574 1.957 1.00 0.00 N ATOM 2 CA ASN A 173 16.167 -2.251 2.496 1.00 0.00 C ATOM 3 C ASN A 173 15.062 -1.225 2.753 1.00 0.00 C ATOM 4 O ASN A 173 13.946 -1.372 2.255 1.00 0.00 O ATOM 5 CB ASN A 173 16.493 -2.938 3.823 1.00 0.00 C ATOM 6 CG ASN A 173 16.208 -4.439 3.749 1.00 0.00 C ATOM 7 OD1 ASN A 173 16.701 -5.149 2.888 1.00 0.00 O ATOM 8 ND2 ASN A 173 15.385 -4.881 4.696 1.00 0.00 N ATOM 0 HA ASN A 173 15.846 -3.000 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 173 17.542 -2.775 4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 173 15.902 -2.491 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 173 15.132 -5.868 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 173 15.007 -4.233 5.387 1.00 0.00 H new ATOM 15 N ASN A 174 15.410 -0.210 3.529 1.00 0.00 N ATOM 16 CA ASN A 174 14.461 0.840 3.859 1.00 0.00 C ATOM 17 C ASN A 174 13.686 1.235 2.599 1.00 0.00 C ATOM 18 O ASN A 174 12.457 1.185 2.582 1.00 0.00 O ATOM 19 CB ASN A 174 15.179 2.086 4.382 1.00 0.00 C ATOM 20 CG ASN A 174 14.180 3.204 4.690 1.00 0.00 C ATOM 21 OD1 ASN A 174 13.293 3.512 3.910 1.00 0.00 O ATOM 22 ND2 ASN A 174 14.373 3.793 5.866 1.00 0.00 N ATOM 0 H ASN A 174 16.336 -0.092 3.939 1.00 0.00 H new ATOM 0 HA ASN A 174 13.791 0.459 4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 174 15.740 1.836 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 174 15.901 2.432 3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 174 13.759 4.552 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 174 15.135 3.486 6.471 1.00 0.00 H new ATOM 29 N PHE A 175 14.437 1.618 1.577 1.00 0.00 N ATOM 30 CA PHE A 175 13.836 2.020 0.317 1.00 0.00 C ATOM 31 C PHE A 175 12.649 1.121 -0.036 1.00 0.00 C ATOM 32 O PHE A 175 11.556 1.611 -0.315 1.00 0.00 O ATOM 33 CB PHE A 175 14.912 1.870 -0.760 1.00 0.00 C ATOM 34 CG PHE A 175 14.359 1.765 -2.182 1.00 0.00 C ATOM 35 CD1 PHE A 175 13.738 2.832 -2.751 1.00 0.00 C ATOM 36 CD2 PHE A 175 14.489 0.603 -2.878 1.00 0.00 C ATOM 37 CE1 PHE A 175 13.224 2.734 -4.072 1.00 0.00 C ATOM 38 CE2 PHE A 175 13.975 0.505 -4.199 1.00 0.00 C ATOM 39 CZ PHE A 175 13.353 1.572 -4.767 1.00 0.00 C ATOM 0 H PHE A 175 15.456 1.658 1.596 1.00 0.00 H new ATOM 0 HA PHE A 175 13.472 3.045 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 175 15.587 2.724 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 175 15.505 0.981 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 175 13.635 3.754 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 175 14.983 -0.245 -2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 175 12.731 3.582 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 175 14.078 -0.417 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 175 12.961 1.497 -5.771 1.00 0.00 H new ATOM 49 N VAL A 176 12.905 -0.179 -0.013 1.00 0.00 N ATOM 50 CA VAL A 176 11.871 -1.150 -0.328 1.00 0.00 C ATOM 51 C VAL A 176 10.723 -1.010 0.674 1.00 0.00 C ATOM 52 O VAL A 176 9.572 -0.827 0.282 1.00 0.00 O ATOM 53 CB VAL A 176 12.469 -2.559 -0.358 1.00 0.00 C ATOM 54 CG1 VAL A 176 11.420 -3.608 0.012 1.00 0.00 C ATOM 55 CG2 VAL A 176 13.088 -2.862 -1.724 1.00 0.00 C ATOM 0 H VAL A 176 13.813 -0.582 0.219 1.00 0.00 H new ATOM 0 HA VAL A 176 11.461 -0.963 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 176 13.263 -2.602 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 176 11.871 -4.600 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 176 11.045 -3.409 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.595 -3.564 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 176 13.506 -3.869 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 176 12.321 -2.791 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 176 13.879 -2.142 -1.933 1.00 0.00 H new ATOM 65 N HIS A 177 11.078 -1.101 1.947 1.00 0.00 N ATOM 66 CA HIS A 177 10.091 -0.987 3.008 1.00 0.00 C ATOM 67 C HIS A 177 9.201 0.230 2.752 1.00 0.00 C ATOM 68 O HIS A 177 8.046 0.259 3.174 1.00 0.00 O ATOM 69 CB HIS A 177 10.770 -0.946 4.378 1.00 0.00 C ATOM 70 CG HIS A 177 9.976 -1.614 5.476 1.00 0.00 C ATOM 71 ND1 HIS A 177 9.683 -0.989 6.676 1.00 0.00 N ATOM 72 CD2 HIS A 177 9.417 -2.856 5.544 1.00 0.00 C ATOM 73 CE1 HIS A 177 8.981 -1.827 7.424 1.00 0.00 C ATOM 74 NE2 HIS A 177 8.817 -2.984 6.720 1.00 0.00 N ATOM 0 H HIS A 177 12.034 -1.252 2.268 1.00 0.00 H new ATOM 0 HA HIS A 177 9.450 -1.869 3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.745 -1.428 4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 177 10.948 0.094 4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 177 9.456 -3.609 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 177 8.605 -1.629 8.417 1.00 0.00 H new ATOM 0 HE2 HIS A 177 8.316 -3.811 7.044 1.00 0.00 H new ATOM 83 N ASP A 178 9.771 1.206 2.061 1.00 0.00 N ATOM 84 CA ASP A 178 9.043 2.423 1.742 1.00 0.00 C ATOM 85 C ASP A 178 8.089 2.151 0.577 1.00 0.00 C ATOM 86 O ASP A 178 6.929 2.559 0.613 1.00 0.00 O ATOM 87 CB ASP A 178 9.998 3.541 1.320 1.00 0.00 C ATOM 88 CG ASP A 178 9.530 4.956 1.667 1.00 0.00 C ATOM 89 OD1 ASP A 178 8.439 5.061 2.268 1.00 0.00 O ATOM 90 OD2 ASP A 178 10.273 5.900 1.322 1.00 0.00 O ATOM 0 H ASP A 178 10.729 1.179 1.713 1.00 0.00 H new ATOM 0 HA ASP A 178 8.497 2.733 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 178 10.966 3.369 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 178 10.152 3.479 0.243 1.00 0.00 H new ATOM 95 N CYS A 179 8.614 1.466 -0.428 1.00 0.00 N ATOM 96 CA CYS A 179 7.823 1.136 -1.601 1.00 0.00 C ATOM 97 C CYS A 179 6.689 0.204 -1.170 1.00 0.00 C ATOM 98 O CYS A 179 5.551 0.359 -1.610 1.00 0.00 O ATOM 99 CB CYS A 179 8.682 0.516 -2.706 1.00 0.00 C ATOM 100 SG CYS A 179 8.320 1.325 -4.307 1.00 0.00 S ATOM 0 H CYS A 179 9.577 1.131 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 179 7.401 2.047 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.739 0.628 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 179 8.483 -0.553 -2.776 1.00 0.00 H new ATOM 0 HG CYS A 179 9.056 0.794 -5.238 1.00 0.00 H new ATOM 106 N VAL A 180 7.040 -0.746 -0.315 1.00 0.00 N ATOM 107 CA VAL A 180 6.065 -1.703 0.181 1.00 0.00 C ATOM 108 C VAL A 180 4.811 -0.957 0.640 1.00 0.00 C ATOM 109 O VAL A 180 3.783 -0.990 -0.035 1.00 0.00 O ATOM 110 CB VAL A 180 6.688 -2.560 1.286 1.00 0.00 C ATOM 111 CG1 VAL A 180 5.671 -2.855 2.390 1.00 0.00 C ATOM 112 CG2 VAL A 180 7.268 -3.855 0.713 1.00 0.00 C ATOM 0 H VAL A 180 7.985 -0.873 0.047 1.00 0.00 H new ATOM 0 HA VAL A 180 5.764 -2.387 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 180 7.507 -1.993 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 180 6.139 -3.465 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 180 5.326 -1.918 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 180 4.822 -3.392 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 180 7.705 -4.446 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 180 6.475 -4.427 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 180 8.038 -3.616 -0.020 1.00 0.00 H new ATOM 122 N ASN A 181 4.937 -0.301 1.784 1.00 0.00 N ATOM 123 CA ASN A 181 3.825 0.452 2.341 1.00 0.00 C ATOM 124 C ASN A 181 3.236 1.359 1.259 1.00 0.00 C ATOM 125 O ASN A 181 2.020 1.421 1.090 1.00 0.00 O ATOM 126 CB ASN A 181 4.287 1.339 3.500 1.00 0.00 C ATOM 127 CG ASN A 181 3.195 1.460 4.565 1.00 0.00 C ATOM 128 OD1 ASN A 181 2.028 1.663 4.273 1.00 0.00 O ATOM 129 ND2 ASN A 181 3.638 1.326 5.812 1.00 0.00 N ATOM 0 H ASN A 181 5.791 -0.275 2.341 1.00 0.00 H new ATOM 0 HA ASN A 181 3.083 -0.260 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 181 5.190 0.921 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 181 4.546 2.329 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.987 1.392 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 181 4.629 1.157 5.986 1.00 0.00 H new ATOM 136 N ILE A 182 4.127 2.040 0.551 1.00 0.00 N ATOM 137 CA ILE A 182 3.710 2.940 -0.510 1.00 0.00 C ATOM 138 C ILE A 182 2.784 2.192 -1.472 1.00 0.00 C ATOM 139 O ILE A 182 1.907 2.796 -2.087 1.00 0.00 O ATOM 140 CB ILE A 182 4.929 3.564 -1.192 1.00 0.00 C ATOM 141 CG1 ILE A 182 5.596 4.600 -0.283 1.00 0.00 C ATOM 142 CG2 ILE A 182 4.555 4.154 -2.553 1.00 0.00 C ATOM 143 CD1 ILE A 182 7.054 4.826 -0.685 1.00 0.00 C ATOM 0 H ILE A 182 5.136 1.986 0.692 1.00 0.00 H new ATOM 0 HA ILE A 182 3.140 3.774 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 182 5.659 2.775 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.050 5.542 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.549 4.264 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.440 4.591 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 182 4.161 3.366 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.797 4.926 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 182 7.503 5.566 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 182 7.603 3.888 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 182 7.096 5.185 -1.713 1.00 0.00 H new ATOM 155 N THR A 183 3.011 0.892 -1.570 1.00 0.00 N ATOM 156 CA THR A 183 2.208 0.056 -2.447 1.00 0.00 C ATOM 157 C THR A 183 0.949 -0.423 -1.721 1.00 0.00 C ATOM 158 O THR A 183 -0.126 -0.492 -2.315 1.00 0.00 O ATOM 159 CB THR A 183 3.091 -1.087 -2.951 1.00 0.00 C ATOM 160 OG1 THR A 183 2.750 -1.208 -4.329 1.00 0.00 O ATOM 161 CG2 THR A 183 2.699 -2.439 -2.350 1.00 0.00 C ATOM 0 H THR A 183 3.740 0.396 -1.057 1.00 0.00 H new ATOM 0 HA THR A 183 1.853 0.617 -3.312 1.00 0.00 H new ATOM 0 HB THR A 183 4.133 -0.872 -2.713 1.00 0.00 H new ATOM 0 HG1 THR A 183 3.278 -1.927 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 183 3.357 -3.215 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 183 2.793 -2.396 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.667 -2.670 -2.616 1.00 0.00 H new ATOM 169 N ILE A 184 1.125 -0.740 -0.447 1.00 0.00 N ATOM 170 CA ILE A 184 0.017 -1.211 0.367 1.00 0.00 C ATOM 171 C ILE A 184 -0.918 -0.040 0.674 1.00 0.00 C ATOM 172 O ILE A 184 -2.055 -0.242 1.096 1.00 0.00 O ATOM 173 CB ILE A 184 0.535 -1.927 1.616 1.00 0.00 C ATOM 174 CG1 ILE A 184 -0.370 -3.104 1.988 1.00 0.00 C ATOM 175 CG2 ILE A 184 0.708 -0.947 2.777 1.00 0.00 C ATOM 176 CD1 ILE A 184 0.442 -4.391 2.149 1.00 0.00 C ATOM 0 H ILE A 184 2.018 -0.680 0.042 1.00 0.00 H new ATOM 0 HA ILE A 184 -0.567 -1.953 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 184 1.520 -2.337 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -0.896 -2.883 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -1.128 -3.242 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 184 1.077 -1.481 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 184 1.422 -0.173 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -0.252 -0.487 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -0.225 -5.211 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 184 0.947 -4.622 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 184 1.183 -4.258 2.937 1.00 0.00 H new ATOM 188 N LYS A 185 -0.404 1.161 0.448 1.00 0.00 N ATOM 189 CA LYS A 185 -1.179 2.365 0.696 1.00 0.00 C ATOM 190 C LYS A 185 -2.624 2.138 0.248 1.00 0.00 C ATOM 191 O LYS A 185 -3.543 2.165 1.066 1.00 0.00 O ATOM 192 CB LYS A 185 -0.514 3.575 0.036 1.00 0.00 C ATOM 193 CG LYS A 185 -0.993 4.880 0.676 1.00 0.00 C ATOM 194 CD LYS A 185 -0.278 5.133 2.005 1.00 0.00 C ATOM 195 CE LYS A 185 1.093 5.770 1.778 1.00 0.00 C ATOM 196 NZ LYS A 185 1.027 7.235 1.989 1.00 0.00 N ATOM 0 H LYS A 185 0.539 1.326 0.096 1.00 0.00 H new ATOM 0 HA LYS A 185 -1.207 2.587 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 185 0.569 3.496 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.742 3.583 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.809 5.712 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.070 4.835 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.887 5.785 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.161 4.193 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.822 5.331 2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.436 5.558 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.967 7.651 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.347 7.652 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 0.721 7.432 2.963 1.00 0.00 H new ATOM 210 N GLN A 186 -2.781 1.918 -1.049 1.00 0.00 N ATOM 211 CA GLN A 186 -4.099 1.685 -1.615 1.00 0.00 C ATOM 212 C GLN A 186 -4.785 0.519 -0.900 1.00 0.00 C ATOM 213 O GLN A 186 -5.982 0.576 -0.619 1.00 0.00 O ATOM 214 CB GLN A 186 -4.011 1.430 -3.120 1.00 0.00 C ATOM 215 CG GLN A 186 -4.448 2.664 -3.912 1.00 0.00 C ATOM 216 CD GLN A 186 -5.947 2.922 -3.744 1.00 0.00 C ATOM 217 OE1 GLN A 186 -6.460 3.062 -2.647 1.00 0.00 O ATOM 218 NE2 GLN A 186 -6.617 2.977 -4.891 1.00 0.00 N ATOM 0 H GLN A 186 -2.017 1.896 -1.724 1.00 0.00 H new ATOM 0 HA GLN A 186 -4.701 2.581 -1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -2.988 1.165 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -4.641 0.581 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -3.886 3.535 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -4.216 2.524 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -6.125 2.851 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -7.623 3.145 -4.886 1.00 0.00 H new ATOM 227 N HIS A 187 -3.999 -0.512 -0.626 1.00 0.00 N ATOM 228 CA HIS A 187 -4.516 -1.689 0.050 1.00 0.00 C ATOM 229 C HIS A 187 -5.518 -1.265 1.125 1.00 0.00 C ATOM 230 O HIS A 187 -6.708 -1.556 1.020 1.00 0.00 O ATOM 231 CB HIS A 187 -3.373 -2.541 0.607 1.00 0.00 C ATOM 232 CG HIS A 187 -3.521 -4.019 0.334 1.00 0.00 C ATOM 233 ND1 HIS A 187 -2.580 -4.981 0.112 1.00 0.00 N flip ATOM 234 CD2 HIS A 187 -4.750 -4.650 0.265 1.00 0.00 C flip ATOM 235 CE1 HIS A 187 -3.201 -6.139 -0.080 1.00 0.00 C flip ATOM 236 NE2 HIS A 187 -4.547 -5.935 0.014 1.00 0.00 N flip ATOM 0 H HIS A 187 -3.007 -0.556 -0.860 1.00 0.00 H new ATOM 0 HA HIS A 187 -5.047 -2.319 -0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -2.433 -2.195 0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -3.308 -2.385 1.684 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -5.712 -4.176 0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -2.720 -7.086 -0.278 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -5.270 -6.647 -0.091 1.00 0.00 H new ATOM 245 N THR A 188 -4.998 -0.582 2.136 1.00 0.00 N ATOM 246 CA THR A 188 -5.833 -0.114 3.230 1.00 0.00 C ATOM 247 C THR A 188 -7.047 0.645 2.689 1.00 0.00 C ATOM 248 O THR A 188 -8.136 0.563 3.253 1.00 0.00 O ATOM 249 CB THR A 188 -4.960 0.725 4.165 1.00 0.00 C ATOM 250 OG1 THR A 188 -4.711 -0.136 5.273 1.00 0.00 O ATOM 251 CG2 THR A 188 -5.720 1.905 4.773 1.00 0.00 C ATOM 0 H THR A 188 -4.010 -0.342 2.220 1.00 0.00 H new ATOM 0 HA THR A 188 -6.239 -0.948 3.802 1.00 0.00 H new ATOM 0 HB THR A 188 -4.093 1.095 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 188 -4.149 0.328 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 188 -5.055 2.467 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 188 -6.080 2.556 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 188 -6.568 1.534 5.349 1.00 0.00 H new ATOM 259 N VAL A 189 -6.816 1.364 1.600 1.00 0.00 N ATOM 260 CA VAL A 189 -7.878 2.136 0.975 1.00 0.00 C ATOM 261 C VAL A 189 -8.510 1.312 -0.147 1.00 0.00 C ATOM 262 O VAL A 189 -9.119 1.865 -1.061 1.00 0.00 O ATOM 263 CB VAL A 189 -7.332 3.482 0.495 1.00 0.00 C ATOM 264 CG1 VAL A 189 -8.471 4.435 0.123 1.00 0.00 C ATOM 265 CG2 VAL A 189 -6.414 4.109 1.546 1.00 0.00 C ATOM 0 H VAL A 189 -5.911 1.428 1.135 1.00 0.00 H new ATOM 0 HA VAL A 189 -8.665 2.358 1.696 1.00 0.00 H new ATOM 0 HB VAL A 189 -6.739 3.302 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -8.055 5.384 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -9.067 3.995 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -9.102 4.605 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -6.040 5.065 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -6.972 4.268 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.575 3.442 1.741 1.00 0.00 H new ATOM 275 N THR A 190 -8.343 0.002 -0.042 1.00 0.00 N ATOM 276 CA THR A 190 -8.890 -0.904 -1.038 1.00 0.00 C ATOM 277 C THR A 190 -9.873 -1.881 -0.387 1.00 0.00 C ATOM 278 O THR A 190 -11.037 -1.946 -0.778 1.00 0.00 O ATOM 279 CB THR A 190 -7.721 -1.598 -1.739 1.00 0.00 C ATOM 280 OG1 THR A 190 -7.688 -1.000 -3.032 1.00 0.00 O ATOM 281 CG2 THR A 190 -7.998 -3.076 -2.018 1.00 0.00 C ATOM 0 H THR A 190 -7.837 -0.454 0.717 1.00 0.00 H new ATOM 0 HA THR A 190 -9.465 -0.364 -1.790 1.00 0.00 H new ATOM 0 HB THR A 190 -6.825 -1.508 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 190 -6.957 -1.391 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 190 -7.136 -3.520 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 190 -8.181 -3.596 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 190 -8.875 -3.167 -2.659 1.00 0.00 H new ATOM 289 N THR A 191 -9.369 -2.613 0.593 1.00 0.00 N ATOM 290 CA THR A 191 -10.187 -3.583 1.301 1.00 0.00 C ATOM 291 C THR A 191 -11.391 -2.894 1.946 1.00 0.00 C ATOM 292 O THR A 191 -12.528 -3.333 1.776 1.00 0.00 O ATOM 293 CB THR A 191 -9.294 -4.313 2.307 1.00 0.00 C ATOM 294 OG1 THR A 191 -8.669 -5.336 1.536 1.00 0.00 O ATOM 295 CG2 THR A 191 -10.100 -5.077 3.359 1.00 0.00 C ATOM 0 H THR A 191 -8.403 -2.555 0.915 1.00 0.00 H new ATOM 0 HA THR A 191 -10.602 -4.324 0.617 1.00 0.00 H new ATOM 0 HB THR A 191 -8.642 -3.594 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 191 -8.070 -5.858 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 191 -9.418 -5.577 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 191 -10.729 -4.380 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 191 -10.728 -5.820 2.867 1.00 0.00 H new ATOM 303 N THR A 192 -11.101 -1.825 2.673 1.00 0.00 N ATOM 304 CA THR A 192 -12.146 -1.070 3.345 1.00 0.00 C ATOM 305 C THR A 192 -13.251 -0.694 2.356 1.00 0.00 C ATOM 306 O THR A 192 -14.406 -1.076 2.536 1.00 0.00 O ATOM 307 CB THR A 192 -11.496 0.139 4.019 1.00 0.00 C ATOM 308 OG1 THR A 192 -10.152 -0.272 4.251 1.00 0.00 O ATOM 309 CG2 THR A 192 -12.053 0.396 5.422 1.00 0.00 C ATOM 0 H THR A 192 -10.157 -1.463 2.812 1.00 0.00 H new ATOM 0 HA THR A 192 -12.633 -1.667 4.116 1.00 0.00 H new ATOM 0 HB THR A 192 -11.646 1.023 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 192 -9.560 0.164 3.603 1.00 0.00 H new ATOM 0 HG21 THR A 192 -11.558 1.265 5.856 1.00 0.00 H new ATOM 0 HG22 THR A 192 -13.125 0.583 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 192 -11.873 -0.476 6.050 1.00 0.00 H new ATOM 317 N THR A 193 -12.858 0.052 1.333 1.00 0.00 N ATOM 318 CA THR A 193 -13.800 0.484 0.316 1.00 0.00 C ATOM 319 C THR A 193 -14.517 -0.721 -0.294 1.00 0.00 C ATOM 320 O THR A 193 -13.978 -1.827 -0.308 1.00 0.00 O ATOM 321 CB THR A 193 -13.035 1.320 -0.712 1.00 0.00 C ATOM 322 OG1 THR A 193 -12.171 0.383 -1.348 1.00 0.00 O ATOM 323 CG2 THR A 193 -12.082 2.323 -0.060 1.00 0.00 C ATOM 0 H THR A 193 -11.899 0.368 1.188 1.00 0.00 H new ATOM 0 HA THR A 193 -14.585 1.107 0.744 1.00 0.00 H new ATOM 0 HB THR A 193 -13.744 1.853 -1.345 1.00 0.00 H new ATOM 0 HG1 THR A 193 -11.951 -0.337 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 193 -11.565 2.890 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 193 -12.649 3.006 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 193 -11.352 1.789 0.548 1.00 0.00 H new ATOM 331 N LYS A 194 -15.723 -0.468 -0.782 1.00 0.00 N ATOM 332 CA LYS A 194 -16.520 -1.519 -1.391 1.00 0.00 C ATOM 333 C LYS A 194 -16.363 -2.807 -0.581 1.00 0.00 C ATOM 334 O LYS A 194 -15.560 -3.671 -0.930 1.00 0.00 O ATOM 335 CB LYS A 194 -16.159 -1.676 -2.870 1.00 0.00 C ATOM 336 CG LYS A 194 -16.937 -0.680 -3.733 1.00 0.00 C ATOM 337 CD LYS A 194 -17.228 -1.264 -5.117 1.00 0.00 C ATOM 338 CE LYS A 194 -17.541 -0.155 -6.124 1.00 0.00 C ATOM 339 NZ LYS A 194 -18.922 -0.297 -6.637 1.00 0.00 N ATOM 0 H LYS A 194 -16.167 0.450 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 194 -17.577 -1.255 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -15.089 -1.521 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -16.378 -2.693 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -17.874 -0.420 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -16.365 0.242 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -16.369 -1.841 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -18.070 -1.953 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -17.421 0.819 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -16.833 -0.196 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -19.119 0.463 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -19.025 -1.219 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -19.594 -0.235 -5.846 1.00 0.00 H new ATOM 353 N GLY A 195 -17.144 -2.895 0.486 1.00 0.00 N ATOM 354 CA GLY A 195 -17.101 -4.063 1.349 1.00 0.00 C ATOM 355 C GLY A 195 -16.914 -5.344 0.532 1.00 0.00 C ATOM 356 O GLY A 195 -17.877 -6.062 0.268 1.00 0.00 O ATOM 0 H GLY A 195 -17.810 -2.177 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -16.284 -3.961 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -18.024 -4.127 1.926 1.00 0.00 H new TER 360 GLY A 195