USER MOD reduce.3.24.130724 H: found=0, std=0, add=230, rem=0, adj=6 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 : amide:sc= -0.273 K(o=-0.27,f=-3.6!) USER MOD Single : A 130 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.81) USER MOD Single : A 134 SER OG : rot 180:sc= -0.198 USER MOD Single : A 140 CYS SG : rot 180:sc= -0.0171 USER MOD Single : A 142 THR OG1 : rot -96:sc= 1.09 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 21.694 -21.523 -3.464 1.00 0.00 N ATOM 2 CA LEU A 125 20.708 -20.766 -4.225 1.00 0.00 C ATOM 3 C LEU A 125 20.072 -21.641 -5.300 1.00 0.00 C ATOM 4 O LEU A 125 20.268 -22.856 -5.321 1.00 0.00 O ATOM 5 CB LEU A 125 21.372 -19.552 -4.878 1.00 0.00 C ATOM 6 CG LEU A 125 20.618 -18.282 -4.485 1.00 0.00 C ATOM 7 CD1 LEU A 125 20.803 -18.020 -2.990 1.00 0.00 C ATOM 8 CD2 LEU A 125 21.168 -17.095 -5.281 1.00 0.00 C ATOM 0 HA LEU A 125 19.929 -20.429 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 125 22.413 -19.481 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 125 21.374 -19.665 -5.962 1.00 0.00 H new ATOM 0 HG LEU A 125 19.558 -18.408 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 125 20.265 -17.114 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 125 20.413 -18.864 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 125 21.863 -17.895 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 125 20.631 -16.189 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 125 22.228 -16.970 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.037 -17.280 -6.347 1.00 0.00 H new ATOM 20 N PHE A 126 19.311 -21.016 -6.191 1.00 0.00 N ATOM 21 CA PHE A 126 18.651 -21.750 -7.265 1.00 0.00 C ATOM 22 C PHE A 126 17.706 -22.803 -6.694 1.00 0.00 C ATOM 23 O PHE A 126 17.937 -24.003 -6.839 1.00 0.00 O ATOM 24 CB PHE A 126 19.696 -22.425 -8.154 1.00 0.00 C ATOM 25 CG PHE A 126 19.065 -22.807 -9.472 1.00 0.00 C ATOM 26 CD1 PHE A 126 18.813 -21.825 -10.438 1.00 0.00 C ATOM 27 CD2 PHE A 126 18.733 -24.143 -9.729 1.00 0.00 C ATOM 28 CE1 PHE A 126 18.228 -22.178 -11.660 1.00 0.00 C ATOM 29 CE2 PHE A 126 18.148 -24.497 -10.950 1.00 0.00 C ATOM 30 CZ PHE A 126 17.896 -23.514 -11.916 1.00 0.00 C ATOM 0 H PHE A 126 19.136 -20.011 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 126 18.071 -21.044 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 126 20.536 -21.751 -8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 126 20.093 -23.311 -7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 126 19.070 -20.795 -10.240 1.00 0.00 H new ATOM 0 HD2 PHE A 126 18.929 -24.901 -8.984 1.00 0.00 H new ATOM 0 HE1 PHE A 126 18.033 -21.420 -12.405 1.00 0.00 H new ATOM 0 HE2 PHE A 126 17.891 -25.527 -11.148 1.00 0.00 H new ATOM 0 HZ PHE A 126 17.445 -23.787 -12.859 1.00 0.00 H new ATOM 40 N PRO A 127 16.654 -22.372 -6.054 1.00 0.00 N ATOM 41 CA PRO A 127 15.647 -23.287 -5.444 1.00 0.00 C ATOM 42 C PRO A 127 15.212 -24.386 -6.409 1.00 0.00 C ATOM 43 O PRO A 127 15.613 -24.399 -7.573 1.00 0.00 O ATOM 44 CB PRO A 127 14.477 -22.363 -5.104 1.00 0.00 C ATOM 45 CG PRO A 127 15.074 -21.004 -4.944 1.00 0.00 C ATOM 46 CD PRO A 127 16.311 -20.956 -5.840 1.00 0.00 C ATOM 0 HA PRO A 127 16.044 -23.814 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 127 13.728 -22.372 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 127 13.978 -22.682 -4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 127 14.360 -20.232 -5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 127 15.343 -20.820 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 127 16.101 -20.450 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 127 17.128 -20.415 -5.363 1.00 0.00 H new ATOM 54 N GLN A 128 14.390 -25.308 -5.916 1.00 0.00 N ATOM 55 CA GLN A 128 13.907 -26.406 -6.744 1.00 0.00 C ATOM 56 C GLN A 128 12.953 -25.890 -7.817 1.00 0.00 C ATOM 57 O GLN A 128 13.273 -25.905 -9.005 1.00 0.00 O ATOM 58 CB GLN A 128 13.189 -27.440 -5.873 1.00 0.00 C ATOM 59 CG GLN A 128 13.043 -28.749 -6.650 1.00 0.00 C ATOM 60 CD GLN A 128 11.857 -29.544 -6.114 1.00 0.00 C ATOM 61 OE1 GLN A 128 10.706 -29.204 -6.391 1.00 0.00 O ATOM 62 NE2 GLN A 128 12.069 -30.587 -5.360 1.00 0.00 N ATOM 0 H GLN A 128 14.047 -25.317 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 128 14.763 -26.873 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 128 13.751 -27.611 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 128 12.207 -27.067 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 128 12.901 -28.538 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 128 13.956 -29.338 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.023 -30.866 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 128 11.281 -31.123 -4.998 1.00 0.00 H new ATOM 71 N ILE A 129 11.780 -25.435 -7.388 1.00 0.00 N ATOM 72 CA ILE A 129 10.786 -24.916 -8.322 1.00 0.00 C ATOM 73 C ILE A 129 11.065 -23.449 -8.637 1.00 0.00 C ATOM 74 O ILE A 129 11.345 -22.653 -7.741 1.00 0.00 O ATOM 75 CB ILE A 129 9.385 -25.053 -7.722 1.00 0.00 C ATOM 76 CG1 ILE A 129 9.082 -26.535 -7.459 1.00 0.00 C ATOM 77 CG2 ILE A 129 8.354 -24.470 -8.693 1.00 0.00 C ATOM 78 CD1 ILE A 129 8.451 -27.177 -8.702 1.00 0.00 C ATOM 0 H ILE A 129 11.496 -25.415 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 129 10.844 -25.493 -9.245 1.00 0.00 H new ATOM 0 HB ILE A 129 9.335 -24.507 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.000 -27.060 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.406 -26.630 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.356 -24.568 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.573 -23.416 -8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.398 -25.011 -9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.241 -28.228 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.522 -26.662 -8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 129 9.141 -27.098 -9.542 1.00 0.00 H new ATOM 90 N ASN A 130 10.987 -23.100 -9.917 1.00 0.00 N ATOM 91 CA ASN A 130 11.231 -21.726 -10.341 1.00 0.00 C ATOM 92 C ASN A 130 10.123 -20.804 -9.840 1.00 0.00 C ATOM 93 O ASN A 130 10.389 -19.700 -9.364 1.00 0.00 O ATOM 94 CB ASN A 130 11.306 -21.655 -11.866 1.00 0.00 C ATOM 95 CG ASN A 130 12.741 -21.884 -12.329 1.00 0.00 C ATOM 96 OD1 ASN A 130 13.675 -21.312 -11.768 1.00 0.00 O ATOM 97 ND2 ASN A 130 12.974 -22.693 -13.327 1.00 0.00 N ATOM 0 H ASN A 130 10.758 -23.744 -10.674 1.00 0.00 H new ATOM 0 HA ASN A 130 12.180 -21.399 -9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.649 -22.405 -12.306 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.955 -20.682 -12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.931 -22.851 -13.642 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.199 -23.167 -13.791 1.00 0.00 H new ATOM 104 N PHE A 131 8.883 -21.266 -9.950 1.00 0.00 N ATOM 105 CA PHE A 131 7.741 -20.475 -9.506 1.00 0.00 C ATOM 106 C PHE A 131 7.839 -20.188 -8.009 1.00 0.00 C ATOM 107 O PHE A 131 8.046 -19.045 -7.600 1.00 0.00 O ATOM 108 CB PHE A 131 6.440 -21.224 -9.799 1.00 0.00 C ATOM 109 CG PHE A 131 5.929 -20.828 -11.164 1.00 0.00 C ATOM 110 CD1 PHE A 131 6.400 -21.488 -12.306 1.00 0.00 C ATOM 111 CD2 PHE A 131 4.984 -19.803 -11.288 1.00 0.00 C ATOM 112 CE1 PHE A 131 5.928 -21.122 -13.571 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.512 -19.437 -12.555 1.00 0.00 C ATOM 114 CZ PHE A 131 4.983 -20.097 -13.696 1.00 0.00 C ATOM 0 H PHE A 131 8.643 -22.178 -10.340 1.00 0.00 H new ATOM 0 HA PHE A 131 7.745 -19.529 -10.048 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.610 -22.300 -9.761 1.00 0.00 H new ATOM 0 HB3 PHE A 131 5.695 -20.992 -9.038 1.00 0.00 H new ATOM 0 HD1 PHE A 131 7.128 -22.280 -12.210 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.619 -19.295 -10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 131 6.293 -21.630 -14.451 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.784 -18.645 -12.652 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.617 -19.815 -14.672 1.00 0.00 H new ATOM 124 N LEU A 132 7.687 -21.231 -7.200 1.00 0.00 N ATOM 125 CA LEU A 132 7.760 -21.079 -5.752 1.00 0.00 C ATOM 126 C LEU A 132 9.139 -20.580 -5.335 1.00 0.00 C ATOM 127 O LEU A 132 9.289 -19.938 -4.295 1.00 0.00 O ATOM 128 CB LEU A 132 7.471 -22.418 -5.072 1.00 0.00 C ATOM 129 CG LEU A 132 6.026 -22.437 -4.573 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.077 -22.185 -5.746 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.719 -23.803 -3.955 1.00 0.00 C ATOM 0 H LEU A 132 7.514 -22.184 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 132 7.014 -20.347 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.635 -23.236 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.157 -22.570 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 132 5.891 -21.658 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.047 -22.199 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 132 5.295 -21.213 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.212 -22.964 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.689 -23.818 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.854 -24.581 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.395 -23.984 -3.119 1.00 0.00 H new ATOM 143 N GLY A 133 10.144 -20.879 -6.151 1.00 0.00 N ATOM 144 CA GLY A 133 11.507 -20.455 -5.855 1.00 0.00 C ATOM 145 C GLY A 133 11.550 -18.976 -5.489 1.00 0.00 C ATOM 146 O GLY A 133 12.229 -18.581 -4.540 1.00 0.00 O ATOM 0 H GLY A 133 10.042 -21.409 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.906 -21.049 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.145 -20.638 -6.720 1.00 0.00 H new ATOM 150 N SER A 134 10.822 -18.162 -6.246 1.00 0.00 N ATOM 151 CA SER A 134 10.784 -16.726 -5.990 1.00 0.00 C ATOM 152 C SER A 134 10.094 -16.436 -4.661 1.00 0.00 C ATOM 153 O SER A 134 10.604 -15.675 -3.839 1.00 0.00 O ATOM 154 CB SER A 134 10.039 -16.015 -7.120 1.00 0.00 C ATOM 155 OG SER A 134 8.818 -15.491 -6.619 1.00 0.00 O ATOM 0 H SER A 134 10.254 -18.468 -7.036 1.00 0.00 H new ATOM 0 HA SER A 134 11.809 -16.357 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 134 10.653 -15.212 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.842 -16.711 -7.936 1.00 0.00 H new ATOM 0 HG SER A 134 8.338 -15.033 -7.340 1.00 0.00 H new ATOM 161 N LEU A 135 8.930 -17.046 -4.458 1.00 0.00 N ATOM 162 CA LEU A 135 8.178 -16.846 -3.225 1.00 0.00 C ATOM 163 C LEU A 135 8.939 -17.422 -2.034 1.00 0.00 C ATOM 164 O LEU A 135 8.775 -16.970 -0.902 1.00 0.00 O ATOM 165 CB LEU A 135 6.806 -17.523 -3.333 1.00 0.00 C ATOM 166 CG LEU A 135 5.724 -16.477 -3.626 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.536 -15.561 -2.411 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.138 -15.638 -4.837 1.00 0.00 C ATOM 0 H LEU A 135 8.490 -17.678 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 135 8.044 -15.775 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.823 -18.272 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.576 -18.046 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 135 4.784 -16.987 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.766 -14.821 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.234 -16.157 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.475 -15.053 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.368 -14.895 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.081 -15.134 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.260 -16.287 -5.705 1.00 0.00 H new ATOM 180 N LEU A 136 9.773 -18.423 -2.301 1.00 0.00 N ATOM 181 CA LEU A 136 10.555 -19.054 -1.244 1.00 0.00 C ATOM 182 C LEU A 136 11.539 -18.059 -0.639 1.00 0.00 C ATOM 183 O LEU A 136 12.025 -18.251 0.475 1.00 0.00 O ATOM 184 CB LEU A 136 11.319 -20.254 -1.806 1.00 0.00 C ATOM 185 CG LEU A 136 10.458 -21.512 -1.682 1.00 0.00 C ATOM 186 CD1 LEU A 136 10.887 -22.531 -2.739 1.00 0.00 C ATOM 187 CD2 LEU A 136 10.638 -22.119 -0.289 1.00 0.00 C ATOM 0 H LEU A 136 9.924 -18.812 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 136 9.872 -19.391 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.576 -20.078 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.256 -20.387 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 136 9.411 -21.250 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 136 10.273 -23.427 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 136 10.759 -22.101 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 136 11.935 -22.792 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.024 -23.016 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 136 11.686 -22.380 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 136 10.333 -21.394 0.466 1.00 0.00 H new ATOM 199 N ILE A 137 11.830 -16.994 -1.381 1.00 0.00 N ATOM 200 CA ILE A 137 12.757 -15.976 -0.907 1.00 0.00 C ATOM 201 C ILE A 137 12.161 -15.217 0.276 1.00 0.00 C ATOM 202 O ILE A 137 12.888 -14.631 1.078 1.00 0.00 O ATOM 203 CB ILE A 137 13.076 -14.994 -2.036 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.432 -14.336 -1.770 1.00 0.00 C ATOM 205 CG2 ILE A 137 11.993 -13.917 -2.100 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.537 -15.149 -2.448 1.00 0.00 C ATOM 0 H ILE A 137 11.439 -16.816 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 137 13.674 -16.469 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 137 13.110 -15.531 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.433 -13.314 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.615 -14.278 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 137 12.222 -13.218 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 137 11.026 -14.384 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 137 11.958 -13.380 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 137 16.502 -14.680 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.541 -16.163 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.356 -15.184 -3.522 1.00 0.00 H new ATOM 218 N ALA A 138 10.837 -15.232 0.375 1.00 0.00 N ATOM 219 CA ALA A 138 10.154 -14.542 1.463 1.00 0.00 C ATOM 220 C ALA A 138 10.669 -15.031 2.813 1.00 0.00 C ATOM 221 O ALA A 138 10.549 -14.337 3.822 1.00 0.00 O ATOM 222 CB ALA A 138 8.647 -14.784 1.372 1.00 0.00 C ATOM 0 H ALA A 138 10.218 -15.711 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 138 10.355 -13.474 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.145 -14.265 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 138 8.275 -14.407 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.445 -15.853 1.443 1.00 0.00 H new ATOM 228 N GLY A 139 11.242 -16.231 2.824 1.00 0.00 N ATOM 229 CA GLY A 139 11.771 -16.803 4.057 1.00 0.00 C ATOM 230 C GLY A 139 13.169 -16.269 4.347 1.00 0.00 C ATOM 231 O GLY A 139 13.624 -16.284 5.491 1.00 0.00 O ATOM 0 H GLY A 139 11.351 -16.822 2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.107 -16.565 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.802 -17.889 3.975 1.00 0.00 H new ATOM 235 N CYS A 140 13.846 -15.796 3.305 1.00 0.00 N ATOM 236 CA CYS A 140 15.193 -15.259 3.461 1.00 0.00 C ATOM 237 C CYS A 140 15.169 -13.990 4.307 1.00 0.00 C ATOM 238 O CYS A 140 16.186 -13.593 4.876 1.00 0.00 O ATOM 239 CB CYS A 140 15.793 -14.948 2.089 1.00 0.00 C ATOM 240 SG CYS A 140 15.874 -13.155 1.859 1.00 0.00 S ATOM 0 H CYS A 140 13.487 -15.774 2.350 1.00 0.00 H new ATOM 0 HA CYS A 140 15.806 -16.007 3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.790 -15.381 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.186 -15.399 1.304 1.00 0.00 H new ATOM 0 HG CYS A 140 16.386 -12.890 0.694 1.00 0.00 H new ATOM 246 N ILE A 141 14.002 -13.360 4.387 1.00 0.00 N ATOM 247 CA ILE A 141 13.858 -12.136 5.168 1.00 0.00 C ATOM 248 C ILE A 141 14.100 -12.414 6.647 1.00 0.00 C ATOM 249 O ILE A 141 14.660 -11.581 7.361 1.00 0.00 O ATOM 250 CB ILE A 141 12.454 -11.559 4.978 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.428 -10.112 5.475 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.447 -12.390 5.778 1.00 0.00 C ATOM 253 CD1 ILE A 141 12.742 -9.167 4.313 1.00 0.00 C ATOM 0 H ILE A 141 13.148 -13.673 3.925 1.00 0.00 H new ATOM 0 HA ILE A 141 14.597 -11.415 4.820 1.00 0.00 H new ATOM 0 HB ILE A 141 12.189 -11.587 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 141 11.449 -9.878 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 141 13.157 -9.978 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.447 -11.979 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.466 -13.422 5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 141 11.711 -12.362 6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 141 12.723 -8.136 4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 141 13.730 -9.396 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 141 11.996 -9.295 3.528 1.00 0.00 H new ATOM 265 N THR A 142 13.676 -13.587 7.102 1.00 0.00 N ATOM 266 CA THR A 142 13.853 -13.964 8.500 1.00 0.00 C ATOM 267 C THR A 142 15.335 -14.002 8.860 1.00 0.00 C ATOM 268 O THR A 142 15.707 -13.799 10.016 1.00 0.00 O ATOM 269 CB THR A 142 13.227 -15.337 8.754 1.00 0.00 C ATOM 270 OG1 THR A 142 13.864 -16.306 7.933 1.00 0.00 O ATOM 271 CG2 THR A 142 11.735 -15.289 8.427 1.00 0.00 C ATOM 0 H THR A 142 13.210 -14.290 6.528 1.00 0.00 H new ATOM 0 HA THR A 142 13.358 -13.220 9.124 1.00 0.00 H new ATOM 0 HB THR A 142 13.357 -15.607 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 142 13.334 -16.446 7.121 1.00 0.00 H new ATOM 0 HG21 THR A 142 11.291 -16.268 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.248 -14.547 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 142 11.601 -15.018 7.380 1.00 0.00 H new ATOM 279 N SER A 143 16.175 -14.265 7.865 1.00 0.00 N ATOM 280 CA SER A 143 17.615 -14.328 8.089 1.00 0.00 C ATOM 281 C SER A 143 17.986 -15.612 8.825 1.00 0.00 C ATOM 282 O SER A 143 18.894 -16.334 8.412 1.00 0.00 O ATOM 283 CB SER A 143 18.068 -13.119 8.908 1.00 0.00 C ATOM 284 OG SER A 143 19.328 -12.670 8.424 1.00 0.00 O ATOM 0 H SER A 143 15.887 -14.437 6.902 1.00 0.00 H new ATOM 0 HA SER A 143 18.116 -14.319 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.331 -12.319 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 143 18.145 -13.387 9.962 1.00 0.00 H new ATOM 0 HG SER A 143 19.621 -11.894 8.946 1.00 0.00 H new ATOM 290 N THR A 144 17.280 -15.887 9.916 1.00 0.00 N ATOM 291 CA THR A 144 17.546 -17.087 10.702 1.00 0.00 C ATOM 292 C THR A 144 16.848 -18.296 10.086 1.00 0.00 C ATOM 293 O THR A 144 15.937 -18.151 9.270 1.00 0.00 O ATOM 294 CB THR A 144 17.056 -16.890 12.138 1.00 0.00 C ATOM 295 OG1 THR A 144 15.642 -16.760 12.141 1.00 0.00 O ATOM 296 CG2 THR A 144 17.688 -15.627 12.726 1.00 0.00 C ATOM 0 H THR A 144 16.526 -15.301 10.274 1.00 0.00 H new ATOM 0 HA THR A 144 18.621 -17.265 10.706 1.00 0.00 H new ATOM 0 HB THR A 144 17.343 -17.751 12.741 1.00 0.00 H new ATOM 0 HG1 THR A 144 15.327 -16.635 13.061 1.00 0.00 H new ATOM 0 HG21 THR A 144 17.338 -15.488 13.749 1.00 0.00 H new ATOM 0 HG22 THR A 144 18.773 -15.728 12.724 1.00 0.00 H new ATOM 0 HG23 THR A 144 17.403 -14.764 12.124 1.00 0.00 H new ATOM 304 N ASP A 145 17.281 -19.489 10.482 1.00 0.00 N ATOM 305 CA ASP A 145 16.691 -20.716 9.963 1.00 0.00 C ATOM 306 C ASP A 145 15.675 -21.281 10.955 1.00 0.00 C ATOM 307 O ASP A 145 15.691 -20.930 12.136 1.00 0.00 O ATOM 308 CB ASP A 145 17.789 -21.752 9.705 1.00 0.00 C ATOM 309 CG ASP A 145 17.567 -22.977 10.585 1.00 0.00 C ATOM 310 OD1 ASP A 145 17.616 -22.830 11.795 1.00 0.00 O ATOM 311 OD2 ASP A 145 17.355 -24.046 10.037 1.00 0.00 O1- ATOM 0 H ASP A 145 18.033 -19.631 11.156 1.00 0.00 H new ATOM 0 HA ASP A 145 16.180 -20.488 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 145 17.786 -22.043 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 145 18.767 -21.317 9.913 1.00 0.00 H new ATOM 316 N PRO A 146 14.799 -22.143 10.504 1.00 0.00 N ATOM 317 CA PRO A 146 13.762 -22.763 11.372 1.00 0.00 C ATOM 318 C PRO A 146 14.298 -23.091 12.763 1.00 0.00 C ATOM 319 O PRO A 146 15.509 -23.137 12.978 1.00 0.00 O ATOM 320 CB PRO A 146 13.386 -24.034 10.616 1.00 0.00 C ATOM 321 CG PRO A 146 13.641 -23.732 9.172 1.00 0.00 C ATOM 322 CD PRO A 146 14.697 -22.622 9.117 1.00 0.00 C ATOM 0 HA PRO A 146 12.917 -22.098 11.549 1.00 0.00 H new ATOM 0 HB2 PRO A 146 13.984 -24.881 10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 146 12.341 -24.295 10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 146 13.992 -24.622 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 146 12.723 -23.414 8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 146 15.653 -23.001 8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 146 14.397 -21.821 8.441 1.00 0.00 H new ATOM 330 N VAL A 147 13.387 -23.318 13.705 1.00 0.00 N ATOM 331 CA VAL A 147 13.780 -23.643 15.071 1.00 0.00 C ATOM 332 C VAL A 147 14.812 -24.765 15.078 1.00 0.00 C ATOM 333 O VAL A 147 15.088 -25.375 14.046 1.00 0.00 O ATOM 334 CB VAL A 147 12.553 -24.068 15.879 1.00 0.00 C ATOM 335 CG1 VAL A 147 11.849 -22.828 16.431 1.00 0.00 C ATOM 336 CG2 VAL A 147 11.591 -24.839 14.974 1.00 0.00 C ATOM 0 H VAL A 147 12.380 -23.283 13.549 1.00 0.00 H new ATOM 0 HA VAL A 147 14.223 -22.756 15.524 1.00 0.00 H new ATOM 0 HB VAL A 147 12.866 -24.705 16.706 1.00 0.00 H new ATOM 0 HG11 VAL A 147 10.975 -23.132 17.007 1.00 0.00 H new ATOM 0 HG12 VAL A 147 12.534 -22.277 17.075 1.00 0.00 H new ATOM 0 HG13 VAL A 147 11.536 -22.190 15.605 1.00 0.00 H new ATOM 0 HG21 VAL A 147 10.716 -25.143 15.548 1.00 0.00 H new ATOM 0 HG22 VAL A 147 11.279 -24.201 14.147 1.00 0.00 H new ATOM 0 HG23 VAL A 147 12.092 -25.724 14.581 1.00 0.00 H new ATOM 346 N LEU A 148 15.378 -25.034 16.250 1.00 0.00 N ATOM 347 CA LEU A 148 16.381 -26.087 16.380 1.00 0.00 C ATOM 348 C LEU A 148 15.742 -27.459 16.194 1.00 0.00 C ATOM 349 O LEU A 148 16.388 -28.397 15.727 1.00 0.00 O ATOM 350 CB LEU A 148 17.040 -26.012 17.759 1.00 0.00 C ATOM 351 CG LEU A 148 18.509 -25.616 17.600 1.00 0.00 C ATOM 352 CD1 LEU A 148 18.599 -24.233 16.949 1.00 0.00 C ATOM 353 CD2 LEU A 148 19.175 -25.573 18.978 1.00 0.00 C ATOM 0 H LEU A 148 15.162 -24.542 17.117 1.00 0.00 H new ATOM 0 HA LEU A 148 17.137 -25.942 15.608 1.00 0.00 H new ATOM 0 HB2 LEU A 148 16.521 -25.284 18.383 1.00 0.00 H new ATOM 0 HB3 LEU A 148 16.964 -26.975 18.263 1.00 0.00 H new ATOM 0 HG LEU A 148 19.016 -26.347 16.971 1.00 0.00 H new ATOM 0 HD11 LEU A 148 19.646 -23.951 16.836 1.00 0.00 H new ATOM 0 HD12 LEU A 148 18.123 -24.261 15.969 1.00 0.00 H new ATOM 0 HD13 LEU A 148 18.092 -23.501 17.578 1.00 0.00 H new ATOM 0 HD21 LEU A 148 20.222 -25.291 18.867 1.00 0.00 H new ATOM 0 HD22 LEU A 148 18.666 -24.841 19.605 1.00 0.00 H new ATOM 0 HD23 LEU A 148 19.111 -26.556 19.444 1.00 0.00 H new ATOM 365 N SER A 149 14.469 -27.569 16.561 1.00 0.00 N ATOM 366 CA SER A 149 13.753 -28.832 16.429 1.00 0.00 C ATOM 367 C SER A 149 13.805 -29.332 14.988 1.00 0.00 C ATOM 368 O SER A 149 13.945 -30.529 14.741 1.00 0.00 O ATOM 369 CB SER A 149 12.295 -28.654 16.856 1.00 0.00 C ATOM 370 OG SER A 149 12.209 -28.727 18.272 1.00 0.00 O ATOM 0 H SER A 149 13.916 -26.805 16.949 1.00 0.00 H new ATOM 0 HA SER A 149 14.234 -29.568 17.074 1.00 0.00 H new ATOM 0 HB2 SER A 149 11.916 -27.694 16.506 1.00 0.00 H new ATOM 0 HB3 SER A 149 11.674 -29.426 16.402 1.00 0.00 H new ATOM 0 HG SER A 149 11.276 -28.612 18.549 1.00 0.00 H new ATOM 376 N ALA A 150 13.691 -28.405 14.042 1.00 0.00 N ATOM 377 CA ALA A 150 13.729 -28.762 12.630 1.00 0.00 C ATOM 378 C ALA A 150 15.104 -29.298 12.246 1.00 0.00 C ATOM 379 O ALA A 150 15.253 -29.991 11.240 1.00 0.00 O ATOM 380 CB ALA A 150 13.398 -27.539 11.772 1.00 0.00 C ATOM 0 H ALA A 150 13.572 -27.409 14.226 1.00 0.00 H new ATOM 0 HA ALA A 150 12.987 -29.541 12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 150 13.429 -27.815 10.718 1.00 0.00 H new ATOM 0 HB2 ALA A 150 12.401 -27.177 12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 150 14.128 -26.752 11.963 1.00 0.00 H new ATOM 386 N LEU A 151 16.106 -28.973 13.057 1.00 0.00 N ATOM 387 CA LEU A 151 17.467 -29.427 12.793 1.00 0.00 C ATOM 388 C LEU A 151 17.583 -30.931 13.018 1.00 0.00 C ATOM 389 O LEU A 151 18.249 -31.632 12.259 1.00 0.00 O ATOM 390 CB LEU A 151 18.449 -28.695 13.709 1.00 0.00 C ATOM 391 CG LEU A 151 19.818 -28.620 13.033 1.00 0.00 C ATOM 392 CD1 LEU A 151 19.892 -27.365 12.162 1.00 0.00 C ATOM 393 CD2 LEU A 151 20.912 -28.559 14.103 1.00 0.00 C ATOM 0 H LEU A 151 16.003 -28.402 13.896 1.00 0.00 H new ATOM 0 HA LEU A 151 17.708 -29.207 11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 151 18.083 -27.691 13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 151 18.531 -29.216 14.663 1.00 0.00 H new ATOM 0 HG LEU A 151 19.963 -29.503 12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 151 20.869 -27.313 11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 151 19.114 -27.405 11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 151 19.746 -26.482 12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 151 21.889 -28.506 13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 151 20.765 -27.676 14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 151 20.862 -29.452 14.725 1.00 0.00 H new ATOM 405 N ILE A 152 16.927 -31.420 14.067 1.00 0.00 N ATOM 406 CA ILE A 152 16.963 -32.842 14.383 1.00 0.00 C ATOM 407 C ILE A 152 16.154 -33.638 13.364 1.00 0.00 C ATOM 408 O ILE A 152 16.704 -34.435 12.605 1.00 0.00 O ATOM 409 CB ILE A 152 16.399 -33.081 15.783 1.00 0.00 C ATOM 410 CG1 ILE A 152 17.164 -32.222 16.794 1.00 0.00 C ATOM 411 CG2 ILE A 152 16.553 -34.557 16.153 1.00 0.00 C ATOM 412 CD1 ILE A 152 16.476 -32.303 18.158 1.00 0.00 C ATOM 0 H ILE A 152 16.368 -30.856 14.708 1.00 0.00 H new ATOM 0 HA ILE A 152 18.000 -33.176 14.348 1.00 0.00 H new ATOM 0 HB ILE A 152 15.343 -32.811 15.798 1.00 0.00 H new ATOM 0 HG12 ILE A 152 18.195 -32.567 16.874 1.00 0.00 H new ATOM 0 HG13 ILE A 152 17.200 -31.187 16.454 1.00 0.00 H new ATOM 0 HG21 ILE A 152 16.150 -34.726 17.152 1.00 0.00 H new ATOM 0 HG22 ILE A 152 16.010 -35.171 15.434 1.00 0.00 H new ATOM 0 HG23 ILE A 152 17.609 -34.828 16.137 1.00 0.00 H new ATOM 0 HD11 ILE A 152 17.021 -31.691 18.877 1.00 0.00 H new ATOM 0 HD12 ILE A 152 15.453 -31.937 18.072 1.00 0.00 H new ATOM 0 HD13 ILE A 152 16.463 -33.338 18.498 1.00 0.00 H new ATOM 424 N VAL A 153 14.843 -33.415 13.353 1.00 0.00 N ATOM 425 CA VAL A 153 13.966 -34.117 12.423 1.00 0.00 C ATOM 426 C VAL A 153 13.742 -33.273 11.167 1.00 0.00 C ATOM 427 O VAL A 153 14.665 -32.620 10.681 1.00 0.00 O ATOM 428 CB VAL A 153 12.632 -34.436 13.114 1.00 0.00 C ATOM 429 CG1 VAL A 153 11.809 -33.155 13.285 1.00 0.00 C ATOM 430 CG2 VAL A 153 11.842 -35.449 12.278 1.00 0.00 C ATOM 0 H VAL A 153 14.368 -32.759 13.973 1.00 0.00 H new ATOM 0 HA VAL A 153 14.435 -35.053 12.121 1.00 0.00 H new ATOM 0 HB VAL A 153 12.837 -34.862 14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 153 10.865 -33.392 13.776 1.00 0.00 H new ATOM 0 HG12 VAL A 153 12.366 -32.443 13.894 1.00 0.00 H new ATOM 0 HG13 VAL A 153 11.610 -32.717 12.307 1.00 0.00 H new ATOM 0 HG21 VAL A 153 10.897 -35.671 12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 153 11.645 -35.031 11.291 1.00 0.00 H new ATOM 0 HG23 VAL A 153 12.422 -36.366 12.174 1.00 0.00 H new ATOM 440 N GLY A 154 12.520 -33.285 10.645 1.00 0.00 N ATOM 441 CA GLY A 154 12.205 -32.513 9.448 1.00 0.00 C ATOM 442 C GLY A 154 12.330 -33.373 8.196 1.00 0.00 C ATOM 443 O GLY A 154 11.605 -34.354 8.031 1.00 0.00 O ATOM 0 H GLY A 154 11.738 -33.816 11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 154 11.192 -32.117 9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 154 12.877 -31.658 9.375 1.00 0.00 H new TER 447 GLY A 154