USER MOD reduce.3.24.130724 H: found=0, std=0, add=230, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 231 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 128 GLN :FLIP amide:sc= -0.009 F(o=-0.78,f=-0.009) USER MOD Single : A 130 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.89) USER MOD Single : A 134 SER OG : rot -88:sc= -0.0995 USER MOD Single : A 140 CYS SG : rot -80:sc= 0.536 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 143 SER OG : rot 90:sc= 1.2 USER MOD Single : A 144 THR OG1 : rot -133:sc= -0.593! USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 -4.805 -17.162 -3.125 1.00 0.00 N ATOM 2 CA LEU A 125 -3.730 -18.084 -2.776 1.00 0.00 C ATOM 3 C LEU A 125 -2.510 -17.844 -3.659 1.00 0.00 C ATOM 4 O LEU A 125 -2.605 -17.876 -4.886 1.00 0.00 O ATOM 5 CB LEU A 125 -4.207 -19.529 -2.941 1.00 0.00 C ATOM 6 CG LEU A 125 -3.407 -20.441 -2.012 1.00 0.00 C ATOM 7 CD1 LEU A 125 -4.113 -20.539 -0.658 1.00 0.00 C ATOM 8 CD2 LEU A 125 -3.300 -21.834 -2.633 1.00 0.00 C ATOM 0 HA LEU A 125 -3.451 -17.911 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.270 -19.600 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -4.083 -19.848 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.408 -20.028 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.542 -21.190 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.189 -19.546 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -5.112 -20.951 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.729 -22.485 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -4.299 -22.247 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.795 -21.765 -3.597 1.00 0.00 H new ATOM 20 N PHE A 126 -1.365 -17.606 -3.027 1.00 0.00 N ATOM 21 CA PHE A 126 -0.133 -17.363 -3.767 1.00 0.00 C ATOM 22 C PHE A 126 -0.014 -18.331 -4.942 1.00 0.00 C ATOM 23 O PHE A 126 -0.696 -19.356 -4.981 1.00 0.00 O ATOM 24 CB PHE A 126 1.072 -17.531 -2.839 1.00 0.00 C ATOM 25 CG PHE A 126 0.605 -18.029 -1.493 1.00 0.00 C ATOM 26 CD1 PHE A 126 0.194 -19.360 -1.343 1.00 0.00 C ATOM 27 CD2 PHE A 126 0.584 -17.163 -0.393 1.00 0.00 C ATOM 28 CE1 PHE A 126 -0.240 -19.822 -0.094 1.00 0.00 C ATOM 29 CE2 PHE A 126 0.151 -17.625 0.855 1.00 0.00 C ATOM 30 CZ PHE A 126 -0.261 -18.955 1.004 1.00 0.00 C ATOM 0 H PHE A 126 -1.265 -17.576 -2.012 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.156 -16.344 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 126 1.783 -18.235 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 126 1.593 -16.580 -2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 126 0.212 -20.030 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.902 -16.137 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -0.558 -20.847 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 126 0.135 -16.956 1.703 1.00 0.00 H new ATOM 0 HZ PHE A 126 -0.595 -19.312 1.967 1.00 0.00 H new ATOM 40 N PRO A 127 0.833 -18.029 -5.890 1.00 0.00 N ATOM 41 CA PRO A 127 1.041 -18.895 -7.089 1.00 0.00 C ATOM 42 C PRO A 127 1.744 -20.202 -6.737 1.00 0.00 C ATOM 43 O PRO A 127 2.971 -20.290 -6.783 1.00 0.00 O ATOM 44 CB PRO A 127 1.910 -18.039 -8.014 1.00 0.00 C ATOM 45 CG PRO A 127 2.611 -17.071 -7.120 1.00 0.00 C ATOM 46 CD PRO A 127 1.687 -16.829 -5.927 1.00 0.00 C ATOM 0 HA PRO A 127 0.097 -19.194 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 127 2.623 -18.654 -8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 127 1.302 -17.520 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 127 3.570 -17.471 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 127 2.818 -16.139 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 127 2.252 -16.712 -5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 127 1.096 -15.922 -6.057 1.00 0.00 H new ATOM 54 N GLN A 128 0.958 -21.216 -6.387 1.00 0.00 N ATOM 55 CA GLN A 128 1.516 -22.514 -6.030 1.00 0.00 C ATOM 56 C GLN A 128 2.397 -23.048 -7.155 1.00 0.00 C ATOM 57 O GLN A 128 3.239 -23.920 -6.938 1.00 0.00 O ATOM 58 CB GLN A 128 0.388 -23.508 -5.748 1.00 0.00 C ATOM 59 CG GLN A 128 0.771 -24.393 -4.559 1.00 0.00 C ATOM 60 CD GLN A 128 -0.318 -25.430 -4.310 1.00 0.00 C ATOM 61 OE1 GLN A 128 -0.948 -25.960 -5.322 1.00 0.00 O flip ATOM 62 NE2 GLN A 128 -0.605 -25.765 -3.160 1.00 0.00 N flip ATOM 0 H GLN A 128 -0.060 -21.164 -6.343 1.00 0.00 H new ATOM 0 HA GLN A 128 2.125 -22.392 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -0.537 -22.973 -5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 128 0.203 -24.124 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 128 1.720 -24.891 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 128 0.911 -23.780 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.112 -25.350 -2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -1.336 -26.458 -2.998 1.00 0.00 H new ATOM 71 N ILE A 129 2.197 -22.518 -8.357 1.00 0.00 N ATOM 72 CA ILE A 129 2.980 -22.948 -9.510 1.00 0.00 C ATOM 73 C ILE A 129 4.471 -22.778 -9.241 1.00 0.00 C ATOM 74 O ILE A 129 4.895 -22.676 -8.090 1.00 0.00 O ATOM 75 CB ILE A 129 2.586 -22.132 -10.742 1.00 0.00 C ATOM 76 CG1 ILE A 129 1.183 -21.555 -10.543 1.00 0.00 C ATOM 77 CG2 ILE A 129 2.593 -23.034 -11.977 1.00 0.00 C ATOM 78 CD1 ILE A 129 0.619 -21.103 -11.892 1.00 0.00 C ATOM 0 H ILE A 129 1.505 -21.796 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 129 2.774 -24.003 -9.691 1.00 0.00 H new ATOM 0 HB ILE A 129 3.299 -21.319 -10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.530 -22.305 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.220 -20.713 -9.852 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.312 -22.452 -12.855 1.00 0.00 H new ATOM 0 HG22 ILE A 129 3.591 -23.447 -12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.880 -23.847 -11.838 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.380 -20.692 -11.749 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.268 -20.339 -12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.567 -21.956 -12.569 1.00 0.00 H new ATOM 90 N ASN A 130 5.261 -22.748 -10.308 1.00 0.00 N ATOM 91 CA ASN A 130 6.705 -22.590 -10.175 1.00 0.00 C ATOM 92 C ASN A 130 7.046 -21.193 -9.667 1.00 0.00 C ATOM 93 O ASN A 130 8.135 -20.962 -9.143 1.00 0.00 O ATOM 94 CB ASN A 130 7.384 -22.823 -11.527 1.00 0.00 C ATOM 95 CG ASN A 130 6.700 -23.969 -12.263 1.00 0.00 C ATOM 96 OD1 ASN A 130 6.302 -24.956 -11.643 1.00 0.00 O ATOM 97 ND2 ASN A 130 6.540 -23.900 -13.556 1.00 0.00 N ATOM 0 H ASN A 130 4.929 -22.830 -11.269 1.00 0.00 H new ATOM 0 HA ASN A 130 7.067 -23.325 -9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 130 7.338 -21.915 -12.128 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.439 -23.053 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 130 6.085 -24.664 -14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.870 -23.082 -14.068 1.00 0.00 H new ATOM 104 N PHE A 131 6.106 -20.266 -9.824 1.00 0.00 N ATOM 105 CA PHE A 131 6.319 -18.895 -9.376 1.00 0.00 C ATOM 106 C PHE A 131 6.559 -18.852 -7.871 1.00 0.00 C ATOM 107 O PHE A 131 7.108 -17.883 -7.348 1.00 0.00 O ATOM 108 CB PHE A 131 5.100 -18.037 -9.725 1.00 0.00 C ATOM 109 CG PHE A 131 5.506 -16.956 -10.698 1.00 0.00 C ATOM 110 CD1 PHE A 131 5.750 -17.275 -12.039 1.00 0.00 C ATOM 111 CD2 PHE A 131 5.642 -15.634 -10.258 1.00 0.00 C ATOM 112 CE1 PHE A 131 6.125 -16.273 -12.941 1.00 0.00 C ATOM 113 CE2 PHE A 131 6.018 -14.632 -11.160 1.00 0.00 C ATOM 114 CZ PHE A 131 6.261 -14.950 -12.501 1.00 0.00 C ATOM 0 H PHE A 131 5.197 -20.437 -10.254 1.00 0.00 H new ATOM 0 HA PHE A 131 7.200 -18.500 -9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 131 4.318 -18.658 -10.161 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.686 -17.590 -8.821 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.649 -18.295 -12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.457 -15.387 -9.223 1.00 0.00 H new ATOM 0 HE1 PHE A 131 6.310 -16.520 -13.976 1.00 0.00 H new ATOM 0 HE2 PHE A 131 6.121 -13.612 -10.821 1.00 0.00 H new ATOM 0 HZ PHE A 131 6.553 -14.176 -13.196 1.00 0.00 H new ATOM 124 N LEU A 132 6.144 -19.910 -7.181 1.00 0.00 N ATOM 125 CA LEU A 132 6.320 -19.982 -5.736 1.00 0.00 C ATOM 126 C LEU A 132 7.801 -19.955 -5.373 1.00 0.00 C ATOM 127 O LEU A 132 8.178 -19.490 -4.297 1.00 0.00 O ATOM 128 CB LEU A 132 5.684 -21.265 -5.195 1.00 0.00 C ATOM 129 CG LEU A 132 5.521 -21.156 -3.679 1.00 0.00 C ATOM 130 CD1 LEU A 132 4.148 -20.568 -3.353 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.641 -22.547 -3.053 1.00 0.00 C ATOM 0 H LEU A 132 5.687 -20.722 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 132 5.832 -19.117 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 132 4.714 -21.428 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.307 -22.124 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 132 6.298 -20.507 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.033 -20.491 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.061 -19.577 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 132 3.370 -21.216 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.525 -22.471 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.864 -23.196 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.620 -22.967 -3.284 1.00 0.00 H new ATOM 143 N GLY A 133 8.635 -20.454 -6.278 1.00 0.00 N ATOM 144 CA GLY A 133 10.074 -20.481 -6.043 1.00 0.00 C ATOM 145 C GLY A 133 10.575 -19.121 -5.572 1.00 0.00 C ATOM 146 O GLY A 133 11.578 -19.028 -4.864 1.00 0.00 O ATOM 0 H GLY A 133 8.343 -20.843 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.310 -21.238 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.591 -20.766 -6.960 1.00 0.00 H new ATOM 150 N SER A 134 9.870 -18.067 -5.970 1.00 0.00 N ATOM 151 CA SER A 134 10.254 -16.714 -5.582 1.00 0.00 C ATOM 152 C SER A 134 10.080 -16.517 -4.078 1.00 0.00 C ATOM 153 O SER A 134 10.929 -15.920 -3.418 1.00 0.00 O ATOM 154 CB SER A 134 9.398 -15.693 -6.333 1.00 0.00 C ATOM 155 OG SER A 134 8.162 -15.525 -5.652 1.00 0.00 O ATOM 0 H SER A 134 9.037 -18.122 -6.556 1.00 0.00 H new ATOM 0 HA SER A 134 11.303 -16.568 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.923 -14.740 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.221 -16.031 -7.354 1.00 0.00 H new ATOM 0 HG SER A 134 7.516 -16.185 -5.979 1.00 0.00 H new ATOM 161 N LEU A 135 8.975 -17.026 -3.544 1.00 0.00 N ATOM 162 CA LEU A 135 8.699 -16.901 -2.118 1.00 0.00 C ATOM 163 C LEU A 135 9.718 -17.693 -1.304 1.00 0.00 C ATOM 164 O LEU A 135 9.919 -17.431 -0.118 1.00 0.00 O ATOM 165 CB LEU A 135 7.289 -17.410 -1.811 1.00 0.00 C ATOM 166 CG LEU A 135 6.398 -16.235 -1.408 1.00 0.00 C ATOM 167 CD1 LEU A 135 6.326 -15.230 -2.558 1.00 0.00 C ATOM 168 CD2 LEU A 135 4.992 -16.748 -1.093 1.00 0.00 C ATOM 0 H LEU A 135 8.260 -17.526 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 135 8.771 -15.848 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.874 -17.912 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.324 -18.146 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 135 6.816 -15.749 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.691 -14.392 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.327 -14.864 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.909 -15.716 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.355 -15.911 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.576 -17.234 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.041 -17.465 -0.273 1.00 0.00 H new ATOM 180 N LEU A 136 10.357 -18.663 -1.950 1.00 0.00 N ATOM 181 CA LEU A 136 11.352 -19.488 -1.275 1.00 0.00 C ATOM 182 C LEU A 136 12.545 -18.638 -0.847 1.00 0.00 C ATOM 183 O LEU A 136 13.048 -18.774 0.269 1.00 0.00 O ATOM 184 CB LEU A 136 11.829 -20.603 -2.215 1.00 0.00 C ATOM 185 CG LEU A 136 11.763 -21.963 -1.507 1.00 0.00 C ATOM 186 CD1 LEU A 136 12.565 -21.909 -0.204 1.00 0.00 C ATOM 187 CD2 LEU A 136 10.306 -22.315 -1.198 1.00 0.00 C ATOM 0 H LEU A 136 10.206 -18.896 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 136 10.895 -19.929 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.209 -20.622 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.851 -20.403 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 136 12.188 -22.726 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 136 12.515 -22.877 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 136 13.605 -21.669 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.147 -21.143 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.264 -23.281 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.876 -21.550 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.739 -22.364 -2.127 1.00 0.00 H new ATOM 199 N ILE A 137 12.994 -17.762 -1.741 1.00 0.00 N ATOM 200 CA ILE A 137 14.127 -16.895 -1.444 1.00 0.00 C ATOM 201 C ILE A 137 13.759 -15.882 -0.363 1.00 0.00 C ATOM 202 O ILE A 137 14.615 -15.445 0.406 1.00 0.00 O ATOM 203 CB ILE A 137 14.565 -16.157 -2.710 1.00 0.00 C ATOM 204 CG1 ILE A 137 15.016 -17.173 -3.762 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.727 -15.218 -2.379 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.113 -16.488 -5.126 1.00 0.00 C ATOM 0 H ILE A 137 12.593 -17.635 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 137 14.948 -17.513 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 137 13.728 -15.576 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.983 -17.594 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.309 -18.002 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.039 -14.692 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.408 -14.494 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.564 -15.798 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.434 -17.212 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 137 14.137 -16.088 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.837 -15.675 -5.074 1.00 0.00 H new ATOM 218 N ALA A 138 12.484 -15.515 -0.314 1.00 0.00 N ATOM 219 CA ALA A 138 12.015 -14.553 0.677 1.00 0.00 C ATOM 220 C ALA A 138 12.358 -15.024 2.086 1.00 0.00 C ATOM 221 O ALA A 138 12.435 -14.224 3.018 1.00 0.00 O ATOM 222 CB ALA A 138 10.501 -14.370 0.552 1.00 0.00 C ATOM 0 H ALA A 138 11.761 -15.865 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 138 12.512 -13.600 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 138 10.159 -13.650 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 138 10.260 -14.003 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 138 10.004 -15.326 0.717 1.00 0.00 H new ATOM 228 N GLY A 139 12.563 -16.330 2.234 1.00 0.00 N ATOM 229 CA GLY A 139 12.897 -16.896 3.536 1.00 0.00 C ATOM 230 C GLY A 139 13.949 -16.050 4.245 1.00 0.00 C ATOM 231 O GLY A 139 14.096 -16.121 5.465 1.00 0.00 O ATOM 0 H GLY A 139 12.504 -17.010 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.999 -16.957 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 139 13.267 -17.913 3.410 1.00 0.00 H new ATOM 235 N CYS A 140 14.675 -15.248 3.473 1.00 0.00 N ATOM 236 CA CYS A 140 15.711 -14.392 4.040 1.00 0.00 C ATOM 237 C CYS A 140 15.093 -13.332 4.944 1.00 0.00 C ATOM 238 O CYS A 140 15.628 -13.020 6.008 1.00 0.00 O ATOM 239 CB CYS A 140 16.498 -13.713 2.917 1.00 0.00 C ATOM 240 SG CYS A 140 15.354 -12.840 1.820 1.00 0.00 S ATOM 0 H CYS A 140 14.567 -15.173 2.462 1.00 0.00 H new ATOM 0 HA CYS A 140 16.385 -15.011 4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 140 17.221 -13.014 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 140 17.063 -14.456 2.354 1.00 0.00 H new ATOM 0 HG CYS A 140 14.802 -13.689 1.005 1.00 0.00 H new ATOM 246 N ILE A 141 13.963 -12.779 4.514 1.00 0.00 N ATOM 247 CA ILE A 141 13.281 -11.754 5.294 1.00 0.00 C ATOM 248 C ILE A 141 12.799 -12.327 6.623 1.00 0.00 C ATOM 249 O ILE A 141 12.711 -11.614 7.622 1.00 0.00 O ATOM 250 CB ILE A 141 12.087 -11.206 4.503 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.574 -10.116 3.538 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.047 -10.621 5.464 1.00 0.00 C ATOM 253 CD1 ILE A 141 12.581 -8.754 4.239 1.00 0.00 C ATOM 0 H ILE A 141 13.504 -13.022 3.636 1.00 0.00 H new ATOM 0 HA ILE A 141 13.983 -10.945 5.495 1.00 0.00 H new ATOM 0 HB ILE A 141 11.627 -12.016 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 141 13.576 -10.356 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 141 11.926 -10.079 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.202 -10.234 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 141 10.700 -11.400 6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 141 11.498 -9.812 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 141 12.928 -7.989 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 141 11.572 -8.511 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 141 13.248 -8.792 5.100 1.00 0.00 H new ATOM 265 N THR A 142 12.489 -13.620 6.628 1.00 0.00 N ATOM 266 CA THR A 142 12.019 -14.278 7.839 1.00 0.00 C ATOM 267 C THR A 142 13.078 -14.204 8.936 1.00 0.00 C ATOM 268 O THR A 142 12.764 -14.298 10.123 1.00 0.00 O ATOM 269 CB THR A 142 11.690 -15.743 7.544 1.00 0.00 C ATOM 270 OG1 THR A 142 11.089 -15.842 6.260 1.00 0.00 O ATOM 271 CG2 THR A 142 10.723 -16.275 8.604 1.00 0.00 C ATOM 0 H THR A 142 12.555 -14.228 5.812 1.00 0.00 H new ATOM 0 HA THR A 142 11.120 -13.765 8.182 1.00 0.00 H new ATOM 0 HB THR A 142 12.607 -16.332 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 142 10.879 -16.780 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.490 -17.319 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.184 -16.199 9.589 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.805 -15.687 8.587 1.00 0.00 H new ATOM 279 N SER A 143 14.330 -14.033 8.529 1.00 0.00 N ATOM 280 CA SER A 143 15.428 -13.948 9.486 1.00 0.00 C ATOM 281 C SER A 143 15.086 -12.972 10.607 1.00 0.00 C ATOM 282 O SER A 143 14.667 -11.842 10.356 1.00 0.00 O ATOM 283 CB SER A 143 16.702 -13.486 8.778 1.00 0.00 C ATOM 284 OG SER A 143 16.982 -14.364 7.696 1.00 0.00 O ATOM 0 H SER A 143 14.610 -13.951 7.552 1.00 0.00 H new ATOM 0 HA SER A 143 15.589 -14.937 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 143 16.579 -12.467 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.537 -13.475 9.478 1.00 0.00 H new ATOM 0 HG SER A 143 16.539 -14.036 6.886 1.00 0.00 H new ATOM 290 N THR A 144 15.267 -13.416 11.847 1.00 0.00 N ATOM 291 CA THR A 144 14.976 -12.574 13.000 1.00 0.00 C ATOM 292 C THR A 144 15.951 -12.862 14.137 1.00 0.00 C ATOM 293 O THR A 144 17.079 -12.371 14.140 1.00 0.00 O ATOM 294 CB THR A 144 13.544 -12.821 13.479 1.00 0.00 C ATOM 295 OG1 THR A 144 13.395 -12.323 14.802 1.00 0.00 O ATOM 296 CG2 THR A 144 13.250 -14.322 13.461 1.00 0.00 C ATOM 0 H THR A 144 15.612 -14.348 12.077 1.00 0.00 H new ATOM 0 HA THR A 144 15.085 -11.532 12.700 1.00 0.00 H new ATOM 0 HB THR A 144 12.846 -12.308 12.817 1.00 0.00 H new ATOM 0 HG1 THR A 144 12.943 -12.994 15.355 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.230 -14.497 13.802 1.00 0.00 H new ATOM 0 HG22 THR A 144 13.363 -14.703 12.446 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.947 -14.837 14.122 1.00 0.00 H new ATOM 304 N ASP A 145 15.508 -13.663 15.101 1.00 0.00 N ATOM 305 CA ASP A 145 16.351 -14.010 16.239 1.00 0.00 C ATOM 306 C ASP A 145 16.209 -15.490 16.580 1.00 0.00 C ATOM 307 O ASP A 145 15.683 -15.849 17.634 1.00 0.00 O ATOM 308 CB ASP A 145 15.964 -13.165 17.453 1.00 0.00 C ATOM 309 CG ASP A 145 16.380 -11.715 17.234 1.00 0.00 C ATOM 310 OD1 ASP A 145 17.171 -11.475 16.337 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 15.903 -10.864 17.967 1.00 0.00 O ATOM 0 H ASP A 145 14.578 -14.081 15.117 1.00 0.00 H new ATOM 0 HA ASP A 145 17.389 -13.808 15.973 1.00 0.00 H new ATOM 0 HB2 ASP A 145 14.888 -13.222 17.618 1.00 0.00 H new ATOM 0 HB3 ASP A 145 16.445 -13.559 18.348 1.00 0.00 H new ATOM 316 N PRO A 146 16.665 -16.347 15.707 1.00 0.00 N ATOM 317 CA PRO A 146 16.591 -17.822 15.907 1.00 0.00 C ATOM 318 C PRO A 146 17.073 -18.238 17.295 1.00 0.00 C ATOM 319 O PRO A 146 18.064 -17.711 17.802 1.00 0.00 O ATOM 320 CB PRO A 146 17.510 -18.382 14.820 1.00 0.00 C ATOM 321 CG PRO A 146 17.533 -17.345 13.746 1.00 0.00 C ATOM 322 CD PRO A 146 17.302 -15.996 14.429 1.00 0.00 C ATOM 0 HA PRO A 146 15.569 -18.194 15.839 1.00 0.00 H new ATOM 0 HB2 PRO A 146 18.511 -18.567 15.209 1.00 0.00 H new ATOM 0 HB3 PRO A 146 17.135 -19.332 14.440 1.00 0.00 H new ATOM 0 HG2 PRO A 146 18.488 -17.354 13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 146 16.759 -17.540 13.004 1.00 0.00 H new ATOM 0 HD2 PRO A 146 18.239 -15.462 14.584 1.00 0.00 H new ATOM 0 HD3 PRO A 146 16.662 -15.349 13.829 1.00 0.00 H new ATOM 330 N VAL A 147 16.366 -19.184 17.903 1.00 0.00 N ATOM 331 CA VAL A 147 16.730 -19.662 19.231 1.00 0.00 C ATOM 332 C VAL A 147 18.070 -20.389 19.191 1.00 0.00 C ATOM 333 O VAL A 147 18.411 -21.028 18.194 1.00 0.00 O ATOM 334 CB VAL A 147 15.651 -20.609 19.760 1.00 0.00 C ATOM 335 CG1 VAL A 147 14.394 -19.809 20.103 1.00 0.00 C ATOM 336 CG2 VAL A 147 15.316 -21.648 18.688 1.00 0.00 C ATOM 0 H VAL A 147 15.543 -19.632 17.501 1.00 0.00 H new ATOM 0 HA VAL A 147 16.816 -18.801 19.894 1.00 0.00 H new ATOM 0 HB VAL A 147 16.017 -21.113 20.655 1.00 0.00 H new ATOM 0 HG11 VAL A 147 13.625 -20.483 20.480 1.00 0.00 H new ATOM 0 HG12 VAL A 147 14.632 -19.067 20.866 1.00 0.00 H new ATOM 0 HG13 VAL A 147 14.028 -19.305 19.208 1.00 0.00 H new ATOM 0 HG21 VAL A 147 14.547 -22.323 19.064 1.00 0.00 H new ATOM 0 HG22 VAL A 147 14.950 -21.143 17.794 1.00 0.00 H new ATOM 0 HG23 VAL A 147 16.212 -22.219 18.442 1.00 0.00 H new ATOM 346 N LEU A 148 18.828 -20.286 20.278 1.00 0.00 N ATOM 347 CA LEU A 148 20.130 -20.938 20.353 1.00 0.00 C ATOM 348 C LEU A 148 19.967 -22.453 20.415 1.00 0.00 C ATOM 349 O LEU A 148 20.881 -23.200 20.064 1.00 0.00 O ATOM 350 CB LEU A 148 20.885 -20.453 21.594 1.00 0.00 C ATOM 351 CG LEU A 148 22.257 -19.918 21.181 1.00 0.00 C ATOM 352 CD1 LEU A 148 22.081 -18.642 20.355 1.00 0.00 C ATOM 353 CD2 LEU A 148 23.078 -19.605 22.433 1.00 0.00 C ATOM 0 H LEU A 148 18.566 -19.762 21.113 1.00 0.00 H new ATOM 0 HA LEU A 148 20.697 -20.681 19.458 1.00 0.00 H new ATOM 0 HB2 LEU A 148 20.315 -19.672 22.097 1.00 0.00 H new ATOM 0 HB3 LEU A 148 21.001 -21.271 22.305 1.00 0.00 H new ATOM 0 HG LEU A 148 22.775 -20.668 20.583 1.00 0.00 H new ATOM 0 HD11 LEU A 148 23.059 -18.261 20.061 1.00 0.00 H new ATOM 0 HD12 LEU A 148 21.495 -18.864 19.463 1.00 0.00 H new ATOM 0 HD13 LEU A 148 21.564 -17.891 20.952 1.00 0.00 H new ATOM 0 HD21 LEU A 148 24.056 -19.224 22.141 1.00 0.00 H new ATOM 0 HD22 LEU A 148 22.560 -18.855 23.030 1.00 0.00 H new ATOM 0 HD23 LEU A 148 23.204 -20.513 23.022 1.00 0.00 H new ATOM 365 N SER A 149 18.799 -22.901 20.863 1.00 0.00 N ATOM 366 CA SER A 149 18.528 -24.331 20.964 1.00 0.00 C ATOM 367 C SER A 149 18.738 -25.012 19.616 1.00 0.00 C ATOM 368 O SER A 149 18.948 -26.224 19.549 1.00 0.00 O ATOM 369 CB SER A 149 17.092 -24.557 21.435 1.00 0.00 C ATOM 370 OG SER A 149 17.109 -25.238 22.683 1.00 0.00 O ATOM 0 H SER A 149 18.030 -22.300 21.160 1.00 0.00 H new ATOM 0 HA SER A 149 19.219 -24.763 21.687 1.00 0.00 H new ATOM 0 HB2 SER A 149 16.575 -23.602 21.535 1.00 0.00 H new ATOM 0 HB3 SER A 149 16.542 -25.141 20.697 1.00 0.00 H new ATOM 0 HG SER A 149 16.189 -25.383 22.989 1.00 0.00 H new ATOM 376 N ALA A 150 18.678 -24.228 18.546 1.00 0.00 N ATOM 377 CA ALA A 150 18.864 -24.768 17.204 1.00 0.00 C ATOM 378 C ALA A 150 20.289 -25.278 17.023 1.00 0.00 C ATOM 379 O ALA A 150 20.529 -26.228 16.277 1.00 0.00 O ATOM 380 CB ALA A 150 18.569 -23.689 16.162 1.00 0.00 C ATOM 0 H ALA A 150 18.503 -23.224 18.580 1.00 0.00 H new ATOM 0 HA ALA A 150 18.174 -25.601 17.069 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.710 -24.100 15.162 1.00 0.00 H new ATOM 0 HB2 ALA A 150 17.539 -23.349 16.272 1.00 0.00 H new ATOM 0 HB3 ALA A 150 19.247 -22.848 16.307 1.00 0.00 H new ATOM 386 N LEU A 151 21.232 -24.642 17.711 1.00 0.00 N ATOM 387 CA LEU A 151 22.632 -25.040 17.618 1.00 0.00 C ATOM 388 C LEU A 151 22.848 -26.390 18.292 1.00 0.00 C ATOM 389 O LEU A 151 23.736 -27.153 17.907 1.00 0.00 O ATOM 390 CB LEU A 151 23.520 -23.986 18.287 1.00 0.00 C ATOM 391 CG LEU A 151 23.720 -22.794 17.340 1.00 0.00 C ATOM 392 CD1 LEU A 151 24.595 -23.197 16.144 1.00 0.00 C ATOM 393 CD2 LEU A 151 22.357 -22.319 16.830 1.00 0.00 C ATOM 0 H LEU A 151 21.054 -23.855 18.335 1.00 0.00 H new ATOM 0 HA LEU A 151 22.899 -25.124 16.564 1.00 0.00 H new ATOM 0 HB2 LEU A 151 23.062 -23.650 19.217 1.00 0.00 H new ATOM 0 HB3 LEU A 151 24.485 -24.422 18.546 1.00 0.00 H new ATOM 0 HG LEU A 151 24.217 -21.992 17.885 1.00 0.00 H new ATOM 0 HD11 LEU A 151 24.726 -22.340 15.484 1.00 0.00 H new ATOM 0 HD12 LEU A 151 25.569 -23.531 16.502 1.00 0.00 H new ATOM 0 HD13 LEU A 151 24.112 -24.006 15.596 1.00 0.00 H new ATOM 0 HD21 LEU A 151 22.495 -21.473 16.157 1.00 0.00 H new ATOM 0 HD22 LEU A 151 21.865 -23.131 16.295 1.00 0.00 H new ATOM 0 HD23 LEU A 151 21.739 -22.014 17.674 1.00 0.00 H new ATOM 405 N ILE A 152 22.032 -26.681 19.300 1.00 0.00 N ATOM 406 CA ILE A 152 22.143 -27.944 20.022 1.00 0.00 C ATOM 407 C ILE A 152 21.664 -29.102 19.152 1.00 0.00 C ATOM 408 O ILE A 152 22.370 -30.096 18.982 1.00 0.00 O ATOM 409 CB ILE A 152 21.313 -27.889 21.304 1.00 0.00 C ATOM 410 CG1 ILE A 152 21.623 -26.592 22.056 1.00 0.00 C ATOM 411 CG2 ILE A 152 21.660 -29.084 22.191 1.00 0.00 C ATOM 412 CD1 ILE A 152 20.802 -26.538 23.346 1.00 0.00 C ATOM 0 H ILE A 152 21.291 -26.064 19.634 1.00 0.00 H new ATOM 0 HA ILE A 152 23.191 -28.104 20.276 1.00 0.00 H new ATOM 0 HB ILE A 152 20.253 -27.921 21.050 1.00 0.00 H new ATOM 0 HG12 ILE A 152 22.687 -26.539 22.288 1.00 0.00 H new ATOM 0 HG13 ILE A 152 21.390 -25.732 21.429 1.00 0.00 H new ATOM 0 HG21 ILE A 152 21.067 -29.043 23.105 1.00 0.00 H new ATOM 0 HG22 ILE A 152 21.441 -30.009 21.657 1.00 0.00 H new ATOM 0 HG23 ILE A 152 22.720 -29.054 22.444 1.00 0.00 H new ATOM 0 HD11 ILE A 152 21.024 -25.614 23.880 1.00 0.00 H new ATOM 0 HD12 ILE A 152 19.740 -26.571 23.103 1.00 0.00 H new ATOM 0 HD13 ILE A 152 21.056 -27.391 23.975 1.00 0.00 H new ATOM 424 N VAL A 153 20.462 -28.964 18.603 1.00 0.00 N ATOM 425 CA VAL A 153 19.898 -30.007 17.753 1.00 0.00 C ATOM 426 C VAL A 153 20.259 -29.759 16.291 1.00 0.00 C ATOM 427 O VAL A 153 19.617 -30.290 15.385 1.00 0.00 O ATOM 428 CB VAL A 153 18.377 -30.039 17.906 1.00 0.00 C ATOM 429 CG1 VAL A 153 18.014 -30.601 19.281 1.00 0.00 C ATOM 430 CG2 VAL A 153 17.822 -28.620 17.774 1.00 0.00 C ATOM 0 H VAL A 153 19.864 -28.148 18.729 1.00 0.00 H new ATOM 0 HA VAL A 153 20.314 -30.966 18.061 1.00 0.00 H new ATOM 0 HB VAL A 153 17.947 -30.672 17.130 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.930 -30.624 19.390 1.00 0.00 H new ATOM 0 HG12 VAL A 153 18.410 -31.612 19.377 1.00 0.00 H new ATOM 0 HG13 VAL A 153 18.444 -29.968 20.058 1.00 0.00 H new ATOM 0 HG21 VAL A 153 16.738 -28.642 17.883 1.00 0.00 H new ATOM 0 HG22 VAL A 153 18.252 -27.987 18.551 1.00 0.00 H new ATOM 0 HG23 VAL A 153 18.080 -28.218 16.794 1.00 0.00 H new ATOM 440 N GLY A 154 21.290 -28.949 16.071 1.00 0.00 N ATOM 441 CA GLY A 154 21.728 -28.639 14.715 1.00 0.00 C ATOM 442 C GLY A 154 22.334 -29.866 14.043 1.00 0.00 C ATOM 443 O GLY A 154 23.145 -30.574 14.638 1.00 0.00 O ATOM 0 H GLY A 154 21.834 -28.499 16.807 1.00 0.00 H new ATOM 0 HA2 GLY A 154 20.882 -28.279 14.129 1.00 0.00 H new ATOM 0 HA3 GLY A 154 22.463 -27.834 14.741 1.00 0.00 H new TER 447 GLY A 154