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 X(o=0,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.2) USER MOD Single : A 134 SER OG : rot 65:sc= 1.24 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot -97:sc= 1.28 USER MOD Single : A 143 SER OG : rot 180:sc= -0.88 USER MOD Single : A 144 THR OG1 : rot -57:sc= 1.14 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 5.223 -7.752 -10.365 1.00 0.00 N ATOM 2 CA LEU A 125 4.424 -7.551 -11.568 1.00 0.00 C ATOM 3 C LEU A 125 4.120 -8.887 -12.238 1.00 0.00 C ATOM 4 O LEU A 125 4.972 -9.463 -12.913 1.00 0.00 O ATOM 5 CB LEU A 125 5.174 -6.645 -12.547 1.00 0.00 C ATOM 6 CG LEU A 125 4.272 -5.479 -12.958 1.00 0.00 C ATOM 7 CD1 LEU A 125 5.024 -4.569 -13.930 1.00 0.00 C ATOM 8 CD2 LEU A 125 3.015 -6.024 -13.640 1.00 0.00 C ATOM 0 HA LEU A 125 3.484 -7.078 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.086 -6.268 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.475 -7.213 -13.427 1.00 0.00 H new ATOM 0 HG LEU A 125 3.989 -4.909 -12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.381 -3.739 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.920 -4.181 -13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.307 -5.138 -14.816 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.372 -5.195 -13.933 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.299 -6.593 -14.525 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.478 -6.673 -12.948 1.00 0.00 H new ATOM 20 N PHE A 126 2.898 -9.374 -12.047 1.00 0.00 N ATOM 21 CA PHE A 126 2.490 -10.643 -12.637 1.00 0.00 C ATOM 22 C PHE A 126 3.609 -11.673 -12.523 1.00 0.00 C ATOM 23 O PHE A 126 4.130 -12.154 -13.531 1.00 0.00 O ATOM 24 CB PHE A 126 2.127 -10.441 -14.110 1.00 0.00 C ATOM 25 CG PHE A 126 0.718 -9.907 -14.212 1.00 0.00 C ATOM 26 CD1 PHE A 126 0.397 -8.669 -13.642 1.00 0.00 C ATOM 27 CD2 PHE A 126 -0.268 -10.648 -14.876 1.00 0.00 C ATOM 28 CE1 PHE A 126 -0.909 -8.171 -13.734 1.00 0.00 C ATOM 29 CE2 PHE A 126 -1.575 -10.150 -14.969 1.00 0.00 C ATOM 30 CZ PHE A 126 -1.894 -8.911 -14.398 1.00 0.00 C ATOM 0 H PHE A 126 2.178 -8.912 -11.492 1.00 0.00 H new ATOM 0 HA PHE A 126 1.619 -11.010 -12.095 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.825 -9.746 -14.576 1.00 0.00 H new ATOM 0 HB3 PHE A 126 2.210 -11.385 -14.649 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.157 -8.097 -13.131 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -0.021 -11.603 -15.316 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -1.156 -7.217 -13.293 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -2.336 -10.721 -15.481 1.00 0.00 H new ATOM 0 HZ PHE A 126 -2.901 -8.527 -14.470 1.00 0.00 H new ATOM 40 N PRO A 127 3.987 -12.014 -11.320 1.00 0.00 N ATOM 41 CA PRO A 127 5.068 -13.007 -11.065 1.00 0.00 C ATOM 42 C PRO A 127 4.602 -14.440 -11.303 1.00 0.00 C ATOM 43 O PRO A 127 3.912 -15.025 -10.470 1.00 0.00 O ATOM 44 CB PRO A 127 5.421 -12.784 -9.594 1.00 0.00 C ATOM 45 CG PRO A 127 4.182 -12.234 -8.968 1.00 0.00 C ATOM 46 CD PRO A 127 3.420 -11.488 -10.067 1.00 0.00 C ATOM 0 HA PRO A 127 5.915 -12.873 -11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 127 5.722 -13.716 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 127 6.255 -12.090 -9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 127 3.572 -13.035 -8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 127 4.430 -11.562 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 127 2.348 -11.675 -10.006 1.00 0.00 H new ATOM 0 HD3 PRO A 127 3.561 -10.410 -9.988 1.00 0.00 H new ATOM 54 N GLN A 128 4.985 -15.000 -12.447 1.00 0.00 N ATOM 55 CA GLN A 128 4.601 -16.366 -12.784 1.00 0.00 C ATOM 56 C GLN A 128 5.531 -17.366 -12.108 1.00 0.00 C ATOM 57 O GLN A 128 5.123 -18.094 -11.202 1.00 0.00 O ATOM 58 CB GLN A 128 4.651 -16.562 -14.300 1.00 0.00 C ATOM 59 CG GLN A 128 4.360 -18.026 -14.635 1.00 0.00 C ATOM 60 CD GLN A 128 3.905 -18.150 -16.086 1.00 0.00 C ATOM 61 OE1 GLN A 128 2.785 -18.588 -16.351 1.00 0.00 O ATOM 62 NE2 GLN A 128 4.711 -17.787 -17.045 1.00 0.00 N ATOM 0 H GLN A 128 5.556 -14.533 -13.151 1.00 0.00 H new ATOM 0 HA GLN A 128 3.585 -16.537 -12.429 1.00 0.00 H new ATOM 0 HB2 GLN A 128 3.921 -15.915 -14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 128 5.632 -16.278 -14.682 1.00 0.00 H new ATOM 0 HG2 GLN A 128 5.253 -18.629 -14.473 1.00 0.00 H new ATOM 0 HG3 GLN A 128 3.589 -18.413 -13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 128 5.638 -17.425 -16.822 1.00 0.00 H new ATOM 0 HE22 GLN A 128 4.414 -17.866 -18.018 1.00 0.00 H new ATOM 71 N ILE A 129 6.784 -17.399 -12.555 1.00 0.00 N ATOM 72 CA ILE A 129 7.763 -18.316 -11.984 1.00 0.00 C ATOM 73 C ILE A 129 8.381 -17.723 -10.723 1.00 0.00 C ATOM 74 O ILE A 129 8.915 -18.446 -9.881 1.00 0.00 O ATOM 75 CB ILE A 129 8.863 -18.604 -13.007 1.00 0.00 C ATOM 76 CG1 ILE A 129 10.023 -19.327 -12.316 1.00 0.00 C ATOM 77 CG2 ILE A 129 9.367 -17.289 -13.602 1.00 0.00 C ATOM 78 CD1 ILE A 129 10.869 -20.055 -13.362 1.00 0.00 C ATOM 0 H ILE A 129 7.142 -16.806 -13.304 1.00 0.00 H new ATOM 0 HA ILE A 129 7.256 -19.245 -11.723 1.00 0.00 H new ATOM 0 HB ILE A 129 8.462 -19.232 -13.803 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.638 -18.611 -11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.638 -20.038 -11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.151 -17.496 -14.331 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.542 -16.772 -14.093 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.768 -16.660 -12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 129 11.694 -20.569 -12.869 1.00 0.00 H new ATOM 0 HD12 ILE A 129 10.251 -20.782 -13.888 1.00 0.00 H new ATOM 0 HD13 ILE A 129 11.266 -19.333 -14.076 1.00 0.00 H new ATOM 90 N ASN A 130 8.305 -16.402 -10.597 1.00 0.00 N ATOM 91 CA ASN A 130 8.859 -15.721 -9.433 1.00 0.00 C ATOM 92 C ASN A 130 8.058 -16.062 -8.180 1.00 0.00 C ATOM 93 O ASN A 130 8.548 -15.916 -7.060 1.00 0.00 O ATOM 94 CB ASN A 130 8.844 -14.209 -9.655 1.00 0.00 C ATOM 95 CG ASN A 130 10.172 -13.603 -9.213 1.00 0.00 C ATOM 96 OD1 ASN A 130 11.232 -14.027 -9.673 1.00 0.00 O ATOM 97 ND2 ASN A 130 10.176 -12.630 -8.342 1.00 0.00 N ATOM 0 H ASN A 130 7.868 -15.785 -11.282 1.00 0.00 H new ATOM 0 HA ASN A 130 9.887 -16.057 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.667 -13.990 -10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.025 -13.759 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.060 -12.219 -8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.296 -12.281 -7.963 1.00 0.00 H new ATOM 104 N PHE A 131 6.825 -16.517 -8.378 1.00 0.00 N ATOM 105 CA PHE A 131 5.965 -16.876 -7.256 1.00 0.00 C ATOM 106 C PHE A 131 6.590 -18.002 -6.441 1.00 0.00 C ATOM 107 O PHE A 131 6.822 -17.857 -5.240 1.00 0.00 O ATOM 108 CB PHE A 131 4.593 -17.317 -7.771 1.00 0.00 C ATOM 109 CG PHE A 131 3.528 -16.901 -6.784 1.00 0.00 C ATOM 110 CD1 PHE A 131 3.369 -17.611 -5.588 1.00 0.00 C ATOM 111 CD2 PHE A 131 2.700 -15.809 -7.065 1.00 0.00 C ATOM 112 CE1 PHE A 131 2.382 -17.227 -4.673 1.00 0.00 C ATOM 113 CE2 PHE A 131 1.713 -15.424 -6.150 1.00 0.00 C ATOM 114 CZ PHE A 131 1.554 -16.133 -4.953 1.00 0.00 C ATOM 0 H PHE A 131 6.401 -16.645 -9.297 1.00 0.00 H new ATOM 0 HA PHE A 131 5.849 -16.001 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 131 4.397 -16.868 -8.745 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.574 -18.398 -7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.008 -18.455 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 131 2.822 -15.263 -7.989 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.259 -17.775 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 131 1.074 -14.581 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.793 -15.836 -4.246 1.00 0.00 H new ATOM 124 N LEU A 132 6.863 -19.123 -7.101 1.00 0.00 N ATOM 125 CA LEU A 132 7.463 -20.268 -6.424 1.00 0.00 C ATOM 126 C LEU A 132 8.839 -19.906 -5.878 1.00 0.00 C ATOM 127 O LEU A 132 9.225 -20.350 -4.796 1.00 0.00 O ATOM 128 CB LEU A 132 7.590 -21.441 -7.398 1.00 0.00 C ATOM 129 CG LEU A 132 6.195 -21.913 -7.816 1.00 0.00 C ATOM 130 CD1 LEU A 132 6.188 -22.221 -9.313 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.831 -23.177 -7.033 1.00 0.00 C ATOM 0 H LEU A 132 6.681 -19.263 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 132 6.819 -20.554 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.161 -21.138 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.137 -22.259 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 132 5.467 -21.130 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.195 -22.557 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.449 -21.322 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 132 6.915 -23.004 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.838 -23.515 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.559 -23.960 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.836 -22.958 -5.965 1.00 0.00 H new ATOM 143 N GLY A 133 9.577 -19.099 -6.632 1.00 0.00 N ATOM 144 CA GLY A 133 10.910 -18.684 -6.214 1.00 0.00 C ATOM 145 C GLY A 133 10.833 -17.653 -5.093 1.00 0.00 C ATOM 146 O GLY A 133 11.736 -17.553 -4.264 1.00 0.00 O ATOM 0 H GLY A 133 9.277 -18.721 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.476 -19.552 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.447 -18.263 -7.064 1.00 0.00 H new ATOM 150 N SER A 134 9.746 -16.887 -5.075 1.00 0.00 N ATOM 151 CA SER A 134 9.560 -15.866 -4.051 1.00 0.00 C ATOM 152 C SER A 134 9.377 -16.509 -2.680 1.00 0.00 C ATOM 153 O SER A 134 9.728 -15.923 -1.657 1.00 0.00 O ATOM 154 CB SER A 134 8.338 -15.010 -4.382 1.00 0.00 C ATOM 155 OG SER A 134 8.700 -14.024 -5.340 1.00 0.00 O ATOM 0 H SER A 134 8.986 -16.953 -5.753 1.00 0.00 H new ATOM 0 HA SER A 134 10.449 -15.236 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.536 -15.636 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.958 -14.533 -3.478 1.00 0.00 H new ATOM 0 HG SER A 134 8.949 -14.461 -6.181 1.00 0.00 H new ATOM 161 N LEU A 135 8.827 -17.719 -2.668 1.00 0.00 N ATOM 162 CA LEU A 135 8.602 -18.433 -1.417 1.00 0.00 C ATOM 163 C LEU A 135 9.929 -18.793 -0.759 1.00 0.00 C ATOM 164 O LEU A 135 10.121 -18.572 0.434 1.00 0.00 O ATOM 165 CB LEU A 135 7.798 -19.708 -1.681 1.00 0.00 C ATOM 166 CG LEU A 135 6.398 -19.563 -1.083 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.685 -18.377 -1.733 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.599 -20.842 -1.345 1.00 0.00 C ATOM 0 H LEU A 135 8.531 -18.222 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 135 8.042 -17.783 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.729 -19.892 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.305 -20.567 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 135 6.477 -19.395 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.687 -18.274 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.254 -17.465 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.605 -18.545 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.601 -20.741 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.520 -21.008 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.106 -21.689 -0.883 1.00 0.00 H new ATOM 180 N LEU A 136 10.844 -19.350 -1.550 1.00 0.00 N ATOM 181 CA LEU A 136 12.151 -19.735 -1.033 1.00 0.00 C ATOM 182 C LEU A 136 12.929 -18.508 -0.572 1.00 0.00 C ATOM 183 O LEU A 136 13.508 -18.498 0.514 1.00 0.00 O ATOM 184 CB LEU A 136 12.946 -20.467 -2.117 1.00 0.00 C ATOM 185 CG LEU A 136 13.989 -21.374 -1.460 1.00 0.00 C ATOM 186 CD1 LEU A 136 13.385 -22.758 -1.219 1.00 0.00 C ATOM 187 CD2 LEU A 136 15.203 -21.502 -2.384 1.00 0.00 C ATOM 0 H LEU A 136 10.705 -19.543 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 136 12.002 -20.398 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.274 -21.059 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.436 -19.747 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 136 14.298 -20.943 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 136 14.129 -23.403 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.519 -22.668 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.076 -23.191 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 136 15.948 -22.148 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 136 14.892 -21.934 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 136 15.634 -20.516 -2.557 1.00 0.00 H new ATOM 199 N ILE A 137 12.939 -17.473 -1.405 1.00 0.00 N ATOM 200 CA ILE A 137 13.650 -16.243 -1.074 1.00 0.00 C ATOM 201 C ILE A 137 12.972 -15.533 0.094 1.00 0.00 C ATOM 202 O ILE A 137 13.636 -14.926 0.934 1.00 0.00 O ATOM 203 CB ILE A 137 13.685 -15.314 -2.288 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.424 -16.006 -3.436 1.00 0.00 C ATOM 205 CG2 ILE A 137 14.413 -14.020 -1.922 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.213 -15.216 -4.728 1.00 0.00 C ATOM 0 H ILE A 137 12.466 -17.460 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 137 14.670 -16.501 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 137 12.666 -15.082 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.488 -16.075 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.057 -17.025 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.437 -13.359 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 137 13.889 -13.527 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.433 -14.251 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.739 -15.709 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.148 -15.170 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.601 -14.205 -4.604 1.00 0.00 H new ATOM 218 N ALA A 138 11.646 -15.611 0.138 1.00 0.00 N ATOM 219 CA ALA A 138 10.889 -14.972 1.208 1.00 0.00 C ATOM 220 C ALA A 138 11.372 -15.456 2.571 1.00 0.00 C ATOM 221 O ALA A 138 11.531 -14.667 3.502 1.00 0.00 O ATOM 222 CB ALA A 138 9.400 -15.282 1.051 1.00 0.00 C ATOM 0 H ALA A 138 11.077 -16.106 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 138 11.044 -13.895 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.842 -14.801 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.049 -14.906 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.246 -16.360 1.097 1.00 0.00 H new ATOM 228 N GLY A 139 11.603 -16.761 2.682 1.00 0.00 N ATOM 229 CA GLY A 139 12.068 -17.342 3.935 1.00 0.00 C ATOM 230 C GLY A 139 13.377 -16.699 4.379 1.00 0.00 C ATOM 231 O GLY A 139 13.562 -16.396 5.558 1.00 0.00 O ATOM 0 H GLY A 139 11.476 -17.432 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.311 -17.206 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.209 -18.416 3.813 1.00 0.00 H new ATOM 235 N CYS A 140 14.282 -16.493 3.429 1.00 0.00 N ATOM 236 CA CYS A 140 15.571 -15.885 3.734 1.00 0.00 C ATOM 237 C CYS A 140 15.389 -14.440 4.186 1.00 0.00 C ATOM 238 O CYS A 140 15.977 -14.011 5.179 1.00 0.00 O ATOM 239 CB CYS A 140 16.473 -15.924 2.498 1.00 0.00 C ATOM 240 SG CYS A 140 18.126 -16.487 2.976 1.00 0.00 S ATOM 0 H CYS A 140 14.148 -16.736 2.448 1.00 0.00 H new ATOM 0 HA CYS A 140 16.036 -16.451 4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.052 -16.593 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.531 -14.934 2.045 1.00 0.00 H new ATOM 0 HG CYS A 140 18.893 -16.523 1.927 1.00 0.00 H new ATOM 246 N ILE A 141 14.568 -13.695 3.453 1.00 0.00 N ATOM 247 CA ILE A 141 14.315 -12.298 3.788 1.00 0.00 C ATOM 248 C ILE A 141 13.617 -12.191 5.141 1.00 0.00 C ATOM 249 O ILE A 141 14.101 -11.514 6.048 1.00 0.00 O ATOM 250 CB ILE A 141 13.443 -11.651 2.711 1.00 0.00 C ATOM 251 CG1 ILE A 141 14.301 -11.349 1.478 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.847 -10.350 3.247 1.00 0.00 C ATOM 253 CD1 ILE A 141 13.390 -11.075 0.279 1.00 0.00 C ATOM 0 H ILE A 141 14.070 -14.032 2.629 1.00 0.00 H new ATOM 0 HA ILE A 141 15.271 -11.778 3.841 1.00 0.00 H new ATOM 0 HB ILE A 141 12.637 -12.332 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 141 14.940 -10.486 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 141 14.959 -12.191 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 141 12.226 -9.890 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.238 -10.564 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.651 -9.667 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.999 -10.860 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 141 12.770 -11.951 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 141 12.751 -10.219 0.496 1.00 0.00 H new ATOM 265 N THR A 142 12.477 -12.862 5.268 1.00 0.00 N ATOM 266 CA THR A 142 11.722 -12.835 6.515 1.00 0.00 C ATOM 267 C THR A 142 12.553 -13.407 7.658 1.00 0.00 C ATOM 268 O THR A 142 12.968 -12.678 8.560 1.00 0.00 O ATOM 269 CB THR A 142 10.434 -13.648 6.362 1.00 0.00 C ATOM 270 OG1 THR A 142 10.738 -14.911 5.788 1.00 0.00 O ATOM 271 CG2 THR A 142 9.457 -12.895 5.458 1.00 0.00 C ATOM 0 H THR A 142 12.058 -13.427 4.529 1.00 0.00 H new ATOM 0 HA THR A 142 11.474 -11.799 6.745 1.00 0.00 H new ATOM 0 HB THR A 142 9.978 -13.795 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 142 10.571 -14.880 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 142 8.540 -13.475 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 142 9.224 -11.927 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.910 -12.746 4.478 1.00 0.00 H new ATOM 279 N SER A 143 12.793 -14.712 7.614 1.00 0.00 N ATOM 280 CA SER A 143 13.577 -15.370 8.653 1.00 0.00 C ATOM 281 C SER A 143 13.428 -16.886 8.558 1.00 0.00 C ATOM 282 O SER A 143 12.613 -17.392 7.787 1.00 0.00 O ATOM 283 CB SER A 143 13.118 -14.896 10.032 1.00 0.00 C ATOM 284 OG SER A 143 13.294 -15.947 10.972 1.00 0.00 O ATOM 0 H SER A 143 12.459 -15.332 6.876 1.00 0.00 H new ATOM 0 HA SER A 143 14.626 -15.110 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 143 13.690 -14.020 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.071 -14.596 9.996 1.00 0.00 H new ATOM 0 HG SER A 143 13.002 -15.646 11.858 1.00 0.00 H new ATOM 290 N THR A 144 14.222 -17.603 9.346 1.00 0.00 N ATOM 291 CA THR A 144 14.171 -19.060 9.344 1.00 0.00 C ATOM 292 C THR A 144 14.888 -19.624 10.566 1.00 0.00 C ATOM 293 O THR A 144 15.624 -20.605 10.470 1.00 0.00 O ATOM 294 CB THR A 144 14.823 -19.604 8.071 1.00 0.00 C ATOM 295 OG1 THR A 144 14.867 -21.022 8.132 1.00 0.00 O ATOM 296 CG2 THR A 144 16.245 -19.053 7.949 1.00 0.00 C ATOM 0 H THR A 144 14.904 -17.202 9.990 1.00 0.00 H new ATOM 0 HA THR A 144 13.126 -19.368 9.377 1.00 0.00 H new ATOM 0 HB THR A 144 14.240 -19.295 7.203 1.00 0.00 H new ATOM 0 HG1 THR A 144 15.354 -21.300 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 144 16.709 -19.441 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 144 16.211 -17.965 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 144 16.830 -19.361 8.816 1.00 0.00 H new ATOM 304 N ASP A 145 14.669 -18.994 11.716 1.00 0.00 N ATOM 305 CA ASP A 145 15.299 -19.439 12.952 1.00 0.00 C ATOM 306 C ASP A 145 14.403 -20.423 13.701 1.00 0.00 C ATOM 307 O ASP A 145 14.877 -21.440 14.208 1.00 0.00 O ATOM 308 CB ASP A 145 15.605 -18.234 13.848 1.00 0.00 C ATOM 309 CG ASP A 145 14.923 -18.399 15.202 1.00 0.00 C ATOM 310 OD1 ASP A 145 15.274 -19.326 15.914 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 14.060 -17.592 15.509 1.00 0.00 O ATOM 0 H ASP A 145 14.064 -18.179 11.817 1.00 0.00 H new ATOM 0 HA ASP A 145 16.229 -19.947 12.695 1.00 0.00 H new ATOM 0 HB2 ASP A 145 16.682 -18.137 13.984 1.00 0.00 H new ATOM 0 HB3 ASP A 145 15.261 -17.318 13.368 1.00 0.00 H new ATOM 316 N PRO A 146 13.126 -20.146 13.784 1.00 0.00 N ATOM 317 CA PRO A 146 12.158 -21.022 14.488 1.00 0.00 C ATOM 318 C PRO A 146 11.611 -22.122 13.583 1.00 0.00 C ATOM 319 O PRO A 146 12.149 -23.229 13.542 1.00 0.00 O ATOM 320 CB PRO A 146 11.053 -20.053 14.908 1.00 0.00 C ATOM 321 CG PRO A 146 11.095 -18.925 13.920 1.00 0.00 C ATOM 322 CD PRO A 146 12.459 -18.965 13.218 1.00 0.00 C ATOM 0 HA PRO A 146 12.611 -21.554 15.325 1.00 0.00 H new ATOM 0 HB2 PRO A 146 10.080 -20.544 14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 146 11.217 -19.690 15.922 1.00 0.00 H new ATOM 0 HG2 PRO A 146 10.289 -19.024 13.193 1.00 0.00 H new ATOM 0 HG3 PRO A 146 10.954 -17.970 14.425 1.00 0.00 H new ATOM 0 HD2 PRO A 146 12.347 -19.051 12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 146 13.031 -18.057 13.408 1.00 0.00 H new ATOM 330 N VAL A 147 10.540 -21.813 12.861 1.00 0.00 N ATOM 331 CA VAL A 147 9.930 -22.785 11.962 1.00 0.00 C ATOM 332 C VAL A 147 8.914 -22.101 11.045 1.00 0.00 C ATOM 333 O VAL A 147 9.261 -21.191 10.293 1.00 0.00 O ATOM 334 CB VAL A 147 9.261 -23.897 12.782 1.00 0.00 C ATOM 335 CG1 VAL A 147 8.156 -23.307 13.666 1.00 0.00 C ATOM 336 CG2 VAL A 147 8.661 -24.952 11.845 1.00 0.00 C ATOM 0 H VAL A 147 10.079 -20.903 12.880 1.00 0.00 H new ATOM 0 HA VAL A 147 10.704 -23.228 11.335 1.00 0.00 H new ATOM 0 HB VAL A 147 10.014 -24.366 13.415 1.00 0.00 H new ATOM 0 HG11 VAL A 147 7.688 -24.104 14.244 1.00 0.00 H new ATOM 0 HG12 VAL A 147 8.587 -22.572 14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 147 7.406 -22.825 13.038 1.00 0.00 H new ATOM 0 HG21 VAL A 147 8.189 -25.737 12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 147 7.916 -24.485 11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 147 9.451 -25.385 11.232 1.00 0.00 H new ATOM 346 N LEU A 148 7.663 -22.544 11.112 1.00 0.00 N ATOM 347 CA LEU A 148 6.614 -21.964 10.281 1.00 0.00 C ATOM 348 C LEU A 148 6.312 -20.534 10.719 1.00 0.00 C ATOM 349 O LEU A 148 5.745 -19.749 9.959 1.00 0.00 O ATOM 350 CB LEU A 148 5.343 -22.810 10.380 1.00 0.00 C ATOM 351 CG LEU A 148 4.789 -22.737 11.804 1.00 0.00 C ATOM 352 CD1 LEU A 148 3.557 -21.832 11.829 1.00 0.00 C ATOM 353 CD2 LEU A 148 4.399 -24.143 12.268 1.00 0.00 C ATOM 0 H LEU A 148 7.352 -23.296 11.727 1.00 0.00 H new ATOM 0 HA LEU A 148 6.961 -21.949 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.598 -22.450 9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 148 5.561 -23.845 10.116 1.00 0.00 H new ATOM 0 HG LEU A 148 5.550 -22.330 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 148 3.163 -21.781 12.844 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.834 -20.832 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 148 2.794 -22.237 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.004 -24.095 13.283 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.638 -24.548 11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 148 5.277 -24.788 12.251 1.00 0.00 H new ATOM 365 N SER A 149 6.693 -20.203 11.948 1.00 0.00 N ATOM 366 CA SER A 149 6.457 -18.864 12.475 1.00 0.00 C ATOM 367 C SER A 149 7.056 -17.812 11.548 1.00 0.00 C ATOM 368 O SER A 149 6.391 -16.843 11.181 1.00 0.00 O ATOM 369 CB SER A 149 7.078 -18.733 13.866 1.00 0.00 C ATOM 370 OG SER A 149 7.391 -17.368 14.114 1.00 0.00 O ATOM 0 H SER A 149 7.163 -20.838 12.593 1.00 0.00 H new ATOM 0 HA SER A 149 5.381 -18.704 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.386 -19.103 14.622 1.00 0.00 H new ATOM 0 HB3 SER A 149 7.979 -19.343 13.934 1.00 0.00 H new ATOM 0 HG SER A 149 7.788 -17.280 15.006 1.00 0.00 H new ATOM 376 N ALA A 150 8.314 -18.010 11.170 1.00 0.00 N ATOM 377 CA ALA A 150 8.993 -17.072 10.283 1.00 0.00 C ATOM 378 C ALA A 150 8.349 -17.083 8.900 1.00 0.00 C ATOM 379 O ALA A 150 8.463 -16.118 8.144 1.00 0.00 O ATOM 380 CB ALA A 150 10.471 -17.443 10.162 1.00 0.00 C ATOM 0 H ALA A 150 8.881 -18.806 11.461 1.00 0.00 H new ATOM 0 HA ALA A 150 8.904 -16.071 10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 150 10.970 -16.737 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 150 10.937 -17.406 11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 150 10.561 -18.450 9.755 1.00 0.00 H new ATOM 386 N LEU A 151 7.672 -18.181 8.577 1.00 0.00 N ATOM 387 CA LEU A 151 7.013 -18.307 7.283 1.00 0.00 C ATOM 388 C LEU A 151 5.813 -17.369 7.198 1.00 0.00 C ATOM 389 O LEU A 151 5.404 -16.966 6.108 1.00 0.00 O ATOM 390 CB LEU A 151 6.551 -19.751 7.071 1.00 0.00 C ATOM 391 CG LEU A 151 6.400 -20.024 5.574 1.00 0.00 C ATOM 392 CD1 LEU A 151 7.708 -20.596 5.024 1.00 0.00 C ATOM 393 CD2 LEU A 151 5.271 -21.034 5.353 1.00 0.00 C ATOM 0 H LEU A 151 7.566 -18.990 9.189 1.00 0.00 H new ATOM 0 HA LEU A 151 7.727 -18.036 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 151 7.272 -20.442 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 151 5.602 -19.919 7.580 1.00 0.00 H new ATOM 0 HG LEU A 151 6.165 -19.094 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 151 7.600 -20.790 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 151 8.514 -19.879 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 151 7.944 -21.527 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 151 5.162 -21.230 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 151 5.508 -21.964 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 151 4.338 -20.628 5.745 1.00 0.00 H new ATOM 405 N ILE A 152 5.252 -17.026 8.352 1.00 0.00 N ATOM 406 CA ILE A 152 4.099 -16.135 8.395 1.00 0.00 C ATOM 407 C ILE A 152 4.509 -14.709 8.041 1.00 0.00 C ATOM 408 O ILE A 152 4.070 -14.161 7.029 1.00 0.00 O ATOM 409 CB ILE A 152 3.473 -16.155 9.791 1.00 0.00 C ATOM 410 CG1 ILE A 152 3.086 -17.590 10.154 1.00 0.00 C ATOM 411 CG2 ILE A 152 2.226 -15.272 9.806 1.00 0.00 C ATOM 412 CD1 ILE A 152 2.693 -17.656 11.630 1.00 0.00 C ATOM 0 H ILE A 152 5.574 -17.349 9.264 1.00 0.00 H new ATOM 0 HA ILE A 152 3.369 -16.484 7.665 1.00 0.00 H new ATOM 0 HB ILE A 152 4.193 -15.776 10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 152 2.256 -17.922 9.531 1.00 0.00 H new ATOM 0 HG13 ILE A 152 3.921 -18.263 9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.781 -15.287 10.801 1.00 0.00 H new ATOM 0 HG22 ILE A 152 2.501 -14.250 9.547 1.00 0.00 H new ATOM 0 HG23 ILE A 152 1.505 -15.648 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.417 -18.679 11.888 1.00 0.00 H new ATOM 0 HD12 ILE A 152 3.536 -17.341 12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 152 1.845 -16.995 11.811 1.00 0.00 H new ATOM 424 N VAL A 153 5.353 -14.115 8.877 1.00 0.00 N ATOM 425 CA VAL A 153 5.816 -12.753 8.642 1.00 0.00 C ATOM 426 C VAL A 153 6.901 -12.375 9.644 1.00 0.00 C ATOM 427 O VAL A 153 6.758 -11.406 10.390 1.00 0.00 O ATOM 428 CB VAL A 153 4.646 -11.777 8.760 1.00 0.00 C ATOM 429 CG1 VAL A 153 4.034 -11.878 10.158 1.00 0.00 C ATOM 430 CG2 VAL A 153 5.148 -10.350 8.526 1.00 0.00 C ATOM 0 H VAL A 153 5.729 -14.552 9.719 1.00 0.00 H new ATOM 0 HA VAL A 153 6.233 -12.699 7.636 1.00 0.00 H new ATOM 0 HB VAL A 153 3.890 -12.025 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 153 3.200 -11.182 10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 153 3.677 -12.894 10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.789 -11.631 10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 153 4.314 -9.653 8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 153 5.904 -10.103 9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 153 5.584 -10.276 7.530 1.00 0.00 H new ATOM 440 N GLY A 154 7.984 -13.144 9.655 1.00 0.00 N ATOM 441 CA GLY A 154 9.088 -12.878 10.571 1.00 0.00 C ATOM 442 C GLY A 154 9.805 -11.586 10.198 1.00 0.00 C ATOM 443 O GLY A 154 10.717 -11.147 10.899 1.00 0.00 O ATOM 0 H GLY A 154 8.121 -13.950 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 154 8.710 -12.808 11.591 1.00 0.00 H new ATOM 0 HA3 GLY A 154 9.793 -13.709 10.549 1.00 0.00 H new TER 447 GLY A 154