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= -0.143 X(o=-0.14,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.3!) USER MOD Single : A 134 SER OG : rot -101:sc= 0.442! USER MOD Single : A 140 CYS SG : rot 180:sc= -0.427 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot -5:sc= 1.44 USER MOD Single : A 149 SER OG : rot 180:sc= -0.181 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 18.987 -15.212 -9.574 1.00 0.00 N ATOM 2 CA LEU A 125 17.697 -14.728 -9.095 1.00 0.00 C ATOM 3 C LEU A 125 16.637 -14.869 -10.182 1.00 0.00 C ATOM 4 O LEU A 125 15.682 -14.094 -10.234 1.00 0.00 O ATOM 5 CB LEU A 125 17.812 -13.262 -8.677 1.00 0.00 C ATOM 6 CG LEU A 125 18.655 -13.158 -7.405 1.00 0.00 C ATOM 7 CD1 LEU A 125 19.615 -11.974 -7.525 1.00 0.00 C ATOM 8 CD2 LEU A 125 17.735 -12.947 -6.201 1.00 0.00 C ATOM 0 HA LEU A 125 17.401 -15.327 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.269 -12.680 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 125 16.821 -12.843 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 125 19.226 -14.077 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 125 20.216 -11.900 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 125 20.270 -12.122 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 125 19.044 -11.055 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.334 -12.873 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.165 -12.028 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.049 -13.790 -6.115 1.00 0.00 H new ATOM 20 N PHE A 126 16.810 -15.863 -11.048 1.00 0.00 N ATOM 21 CA PHE A 126 15.861 -16.095 -12.130 1.00 0.00 C ATOM 22 C PHE A 126 15.921 -17.547 -12.596 1.00 0.00 C ATOM 23 O PHE A 126 16.224 -17.823 -13.757 1.00 0.00 O ATOM 24 CB PHE A 126 16.175 -15.167 -13.305 1.00 0.00 C ATOM 25 CG PHE A 126 15.864 -13.741 -12.920 1.00 0.00 C ATOM 26 CD1 PHE A 126 14.584 -13.219 -13.142 1.00 0.00 C ATOM 27 CD2 PHE A 126 16.854 -12.941 -12.339 1.00 0.00 C ATOM 28 CE1 PHE A 126 14.295 -11.897 -12.784 1.00 0.00 C ATOM 29 CE2 PHE A 126 16.567 -11.620 -11.981 1.00 0.00 C ATOM 30 CZ PHE A 126 15.287 -11.096 -12.204 1.00 0.00 C ATOM 0 H PHE A 126 17.593 -16.516 -11.022 1.00 0.00 H new ATOM 0 HA PHE A 126 14.857 -15.887 -11.759 1.00 0.00 H new ATOM 0 HB2 PHE A 126 17.225 -15.259 -13.584 1.00 0.00 H new ATOM 0 HB3 PHE A 126 15.588 -15.456 -14.177 1.00 0.00 H new ATOM 0 HD1 PHE A 126 13.819 -13.837 -13.590 1.00 0.00 H new ATOM 0 HD2 PHE A 126 17.841 -13.344 -12.167 1.00 0.00 H new ATOM 0 HE1 PHE A 126 13.307 -11.495 -12.955 1.00 0.00 H new ATOM 0 HE2 PHE A 126 17.332 -11.004 -11.533 1.00 0.00 H new ATOM 0 HZ PHE A 126 15.065 -10.075 -11.929 1.00 0.00 H new ATOM 40 N PRO A 127 15.640 -18.470 -11.715 1.00 0.00 N ATOM 41 CA PRO A 127 15.661 -19.925 -12.038 1.00 0.00 C ATOM 42 C PRO A 127 14.464 -20.343 -12.888 1.00 0.00 C ATOM 43 O PRO A 127 13.606 -19.522 -13.216 1.00 0.00 O ATOM 44 CB PRO A 127 15.620 -20.600 -10.667 1.00 0.00 C ATOM 45 CG PRO A 127 14.958 -19.617 -9.759 1.00 0.00 C ATOM 46 CD PRO A 127 15.270 -18.224 -10.312 1.00 0.00 C ATOM 0 HA PRO A 127 16.535 -20.201 -12.628 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.062 -21.536 -10.707 1.00 0.00 H new ATOM 0 HB3 PRO A 127 16.624 -20.842 -10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.882 -19.787 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 127 15.330 -19.721 -8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 127 14.407 -17.563 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.083 -17.750 -9.762 1.00 0.00 H new ATOM 54 N GLN A 128 14.413 -21.623 -13.241 1.00 0.00 N ATOM 55 CA GLN A 128 13.317 -22.138 -14.053 1.00 0.00 C ATOM 56 C GLN A 128 11.972 -21.752 -13.446 1.00 0.00 C ATOM 57 O GLN A 128 11.246 -20.924 -13.996 1.00 0.00 O ATOM 58 CB GLN A 128 13.414 -23.661 -14.156 1.00 0.00 C ATOM 59 CG GLN A 128 14.730 -24.045 -14.835 1.00 0.00 C ATOM 60 CD GLN A 128 15.264 -25.345 -14.241 1.00 0.00 C ATOM 61 OE1 GLN A 128 16.469 -25.487 -14.038 1.00 0.00 O ATOM 62 NE2 GLN A 128 14.432 -26.307 -13.948 1.00 0.00 N ATOM 0 H GLN A 128 15.112 -22.318 -12.980 1.00 0.00 H new ATOM 0 HA GLN A 128 13.392 -21.701 -15.049 1.00 0.00 H new ATOM 0 HB2 GLN A 128 13.361 -24.107 -13.163 1.00 0.00 H new ATOM 0 HB3 GLN A 128 12.571 -24.052 -14.726 1.00 0.00 H new ATOM 0 HG2 GLN A 128 14.575 -24.162 -15.907 1.00 0.00 H new ATOM 0 HG3 GLN A 128 15.462 -23.248 -14.704 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.433 -26.187 -14.117 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.780 -27.179 -13.550 1.00 0.00 H new ATOM 71 N ILE A 129 11.647 -22.357 -12.308 1.00 0.00 N ATOM 72 CA ILE A 129 10.386 -22.068 -11.634 1.00 0.00 C ATOM 73 C ILE A 129 10.511 -20.810 -10.780 1.00 0.00 C ATOM 74 O ILE A 129 10.709 -20.888 -9.568 1.00 0.00 O ATOM 75 CB ILE A 129 9.984 -23.249 -10.749 1.00 0.00 C ATOM 76 CG1 ILE A 129 8.698 -22.905 -9.995 1.00 0.00 C ATOM 77 CG2 ILE A 129 11.100 -23.538 -9.744 1.00 0.00 C ATOM 78 CD1 ILE A 129 7.902 -24.184 -9.733 1.00 0.00 C ATOM 0 H ILE A 129 12.234 -23.045 -11.836 1.00 0.00 H new ATOM 0 HA ILE A 129 9.620 -21.905 -12.392 1.00 0.00 H new ATOM 0 HB ILE A 129 9.819 -24.129 -11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.937 -22.413 -9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.099 -22.204 -10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.813 -24.380 -9.114 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.018 -23.782 -10.279 1.00 0.00 H new ATOM 0 HG23 ILE A 129 11.266 -22.659 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.986 -23.939 -9.196 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.650 -24.657 -10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.501 -24.869 -9.134 1.00 0.00 H new ATOM 90 N ASN A 130 10.394 -19.652 -11.421 1.00 0.00 N ATOM 91 CA ASN A 130 10.496 -18.382 -10.711 1.00 0.00 C ATOM 92 C ASN A 130 9.298 -18.190 -9.784 1.00 0.00 C ATOM 93 O ASN A 130 9.351 -17.397 -8.843 1.00 0.00 O ATOM 94 CB ASN A 130 10.559 -17.227 -11.711 1.00 0.00 C ATOM 95 CG ASN A 130 9.338 -16.328 -11.550 1.00 0.00 C ATOM 96 OD1 ASN A 130 8.209 -16.767 -11.772 1.00 0.00 O ATOM 97 ND2 ASN A 130 9.496 -15.089 -11.173 1.00 0.00 N ATOM 0 H ASN A 130 10.230 -19.566 -12.424 1.00 0.00 H new ATOM 0 HA ASN A 130 11.407 -18.394 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.469 -16.649 -11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.601 -17.618 -12.728 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.684 -14.482 -11.062 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.432 -14.727 -10.990 1.00 0.00 H new ATOM 104 N PHE A 131 8.222 -18.920 -10.058 1.00 0.00 N ATOM 105 CA PHE A 131 7.018 -18.820 -9.241 1.00 0.00 C ATOM 106 C PHE A 131 7.313 -19.221 -7.798 1.00 0.00 C ATOM 107 O PHE A 131 7.239 -18.396 -6.888 1.00 0.00 O ATOM 108 CB PHE A 131 5.925 -19.726 -9.810 1.00 0.00 C ATOM 109 CG PHE A 131 5.339 -19.092 -11.048 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.357 -18.103 -10.929 1.00 0.00 C ATOM 111 CD2 PHE A 131 5.779 -19.494 -12.315 1.00 0.00 C ATOM 112 CE1 PHE A 131 3.813 -17.514 -12.077 1.00 0.00 C ATOM 113 CE2 PHE A 131 5.235 -18.905 -13.463 1.00 0.00 C ATOM 114 CZ PHE A 131 4.253 -17.915 -13.345 1.00 0.00 C ATOM 0 H PHE A 131 8.158 -19.581 -10.832 1.00 0.00 H new ATOM 0 HA PHE A 131 6.677 -17.785 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.339 -20.705 -10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 131 5.145 -19.884 -9.065 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.018 -17.794 -9.951 1.00 0.00 H new ATOM 0 HD2 PHE A 131 6.537 -20.258 -12.407 1.00 0.00 H new ATOM 0 HE1 PHE A 131 3.054 -16.751 -11.985 1.00 0.00 H new ATOM 0 HE2 PHE A 131 5.574 -19.215 -14.441 1.00 0.00 H new ATOM 0 HZ PHE A 131 3.835 -17.460 -14.231 1.00 0.00 H new ATOM 124 N LEU A 132 7.649 -20.491 -7.600 1.00 0.00 N ATOM 125 CA LEU A 132 7.954 -20.989 -6.263 1.00 0.00 C ATOM 126 C LEU A 132 9.169 -20.269 -5.687 1.00 0.00 C ATOM 127 O LEU A 132 9.101 -19.683 -4.607 1.00 0.00 O ATOM 128 CB LEU A 132 8.227 -22.494 -6.317 1.00 0.00 C ATOM 129 CG LEU A 132 7.780 -23.141 -5.005 1.00 0.00 C ATOM 130 CD1 LEU A 132 8.104 -24.636 -5.037 1.00 0.00 C ATOM 131 CD2 LEU A 132 8.518 -22.486 -3.836 1.00 0.00 C ATOM 0 H LEU A 132 7.717 -21.189 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 132 7.095 -20.798 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.693 -22.941 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 132 9.289 -22.676 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 132 6.706 -23.004 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 132 7.786 -25.097 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 132 7.579 -25.104 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 132 9.178 -24.773 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 132 8.200 -22.947 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 132 9.592 -22.623 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 132 8.289 -21.421 -3.812 1.00 0.00 H new ATOM 143 N GLY A 133 10.280 -20.319 -6.415 1.00 0.00 N ATOM 144 CA GLY A 133 11.506 -19.667 -5.966 1.00 0.00 C ATOM 145 C GLY A 133 11.205 -18.299 -5.362 1.00 0.00 C ATOM 146 O GLY A 133 11.997 -17.767 -4.583 1.00 0.00 O ATOM 0 H GLY A 133 10.357 -20.800 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 133 12.006 -20.293 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.192 -19.555 -6.806 1.00 0.00 H new ATOM 150 N SER A 134 10.059 -17.736 -5.726 1.00 0.00 N ATOM 151 CA SER A 134 9.664 -16.429 -5.212 1.00 0.00 C ATOM 152 C SER A 134 9.387 -16.502 -3.715 1.00 0.00 C ATOM 153 O SER A 134 10.033 -15.820 -2.921 1.00 0.00 O ATOM 154 CB SER A 134 8.413 -15.938 -5.942 1.00 0.00 C ATOM 155 OG SER A 134 7.259 -16.456 -5.292 1.00 0.00 O ATOM 0 H SER A 134 9.391 -18.160 -6.370 1.00 0.00 H new ATOM 0 HA SER A 134 10.482 -15.730 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.384 -14.848 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.435 -16.261 -6.983 1.00 0.00 H new ATOM 0 HG SER A 134 6.918 -17.225 -5.795 1.00 0.00 H new ATOM 161 N LEU A 135 8.422 -17.334 -3.336 1.00 0.00 N ATOM 162 CA LEU A 135 8.068 -17.488 -1.931 1.00 0.00 C ATOM 163 C LEU A 135 9.217 -18.122 -1.155 1.00 0.00 C ATOM 164 O LEU A 135 9.326 -17.956 0.061 1.00 0.00 O ATOM 165 CB LEU A 135 6.818 -18.361 -1.800 1.00 0.00 C ATOM 166 CG LEU A 135 5.758 -17.619 -0.983 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.259 -16.410 -1.774 1.00 0.00 C ATOM 168 CD2 LEU A 135 4.585 -18.560 -0.698 1.00 0.00 C ATOM 0 H LEU A 135 7.875 -17.908 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 135 7.866 -16.500 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.426 -18.604 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.070 -19.305 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 135 6.193 -17.283 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.504 -15.881 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.094 -15.740 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.823 -16.746 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.829 -18.033 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.150 -18.895 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.940 -19.423 -0.135 1.00 0.00 H new ATOM 180 N LEU A 136 10.073 -18.850 -1.863 1.00 0.00 N ATOM 181 CA LEU A 136 11.211 -19.505 -1.231 1.00 0.00 C ATOM 182 C LEU A 136 12.176 -18.470 -0.658 1.00 0.00 C ATOM 183 O LEU A 136 12.531 -18.522 0.519 1.00 0.00 O ATOM 184 CB LEU A 136 11.944 -20.379 -2.251 1.00 0.00 C ATOM 185 CG LEU A 136 12.776 -21.432 -1.517 1.00 0.00 C ATOM 186 CD1 LEU A 136 11.943 -22.702 -1.333 1.00 0.00 C ATOM 187 CD2 LEU A 136 14.026 -21.758 -2.338 1.00 0.00 C ATOM 0 H LEU A 136 10.001 -19.001 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 136 10.841 -20.129 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.226 -20.864 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.589 -19.762 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 136 13.072 -21.046 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 136 12.535 -23.453 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 136 11.052 -22.471 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 136 11.648 -23.088 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 136 14.619 -22.508 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 136 13.730 -22.144 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 136 14.620 -20.854 -2.471 1.00 0.00 H new ATOM 199 N ILE A 137 12.596 -17.531 -1.500 1.00 0.00 N ATOM 200 CA ILE A 137 13.519 -16.488 -1.066 1.00 0.00 C ATOM 201 C ILE A 137 12.840 -15.553 -0.070 1.00 0.00 C ATOM 202 O ILE A 137 13.498 -14.968 0.792 1.00 0.00 O ATOM 203 CB ILE A 137 14.003 -15.685 -2.274 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.820 -16.594 -3.196 1.00 0.00 C ATOM 205 CG2 ILE A 137 14.879 -14.525 -1.799 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.996 -15.917 -4.557 1.00 0.00 C ATOM 0 H ILE A 137 12.315 -17.471 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 137 14.372 -16.962 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 137 13.143 -15.293 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.794 -16.799 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.317 -17.553 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.224 -13.953 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 137 14.300 -13.877 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.739 -14.917 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.578 -16.565 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 137 14.018 -15.734 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.518 -14.969 -4.427 1.00 0.00 H new ATOM 218 N ALA A 138 11.525 -15.416 -0.195 1.00 0.00 N ATOM 219 CA ALA A 138 10.769 -14.549 0.703 1.00 0.00 C ATOM 220 C ALA A 138 10.999 -14.949 2.156 1.00 0.00 C ATOM 221 O ALA A 138 10.833 -14.137 3.067 1.00 0.00 O ATOM 222 CB ALA A 138 9.278 -14.636 0.378 1.00 0.00 C ATOM 0 H ALA A 138 10.963 -15.889 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 138 11.113 -13.524 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.720 -13.986 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.111 -14.320 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.938 -15.664 0.501 1.00 0.00 H new ATOM 228 N GLY A 139 11.382 -16.203 2.365 1.00 0.00 N ATOM 229 CA GLY A 139 11.632 -16.701 3.713 1.00 0.00 C ATOM 230 C GLY A 139 13.000 -16.253 4.215 1.00 0.00 C ATOM 231 O GLY A 139 13.242 -16.192 5.421 1.00 0.00 O ATOM 0 H GLY A 139 11.526 -16.890 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.856 -16.339 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.577 -17.790 3.719 1.00 0.00 H new ATOM 235 N CYS A 140 13.893 -15.941 3.281 1.00 0.00 N ATOM 236 CA CYS A 140 15.236 -15.499 3.641 1.00 0.00 C ATOM 237 C CYS A 140 15.184 -14.155 4.361 1.00 0.00 C ATOM 238 O CYS A 140 16.116 -13.786 5.075 1.00 0.00 O ATOM 239 CB CYS A 140 16.098 -15.373 2.383 1.00 0.00 C ATOM 240 SG CYS A 140 16.156 -16.968 1.529 1.00 0.00 S ATOM 0 H CYS A 140 13.714 -15.985 2.278 1.00 0.00 H new ATOM 0 HA CYS A 140 15.675 -16.239 4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.687 -14.610 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 140 17.106 -15.055 2.650 1.00 0.00 H new ATOM 0 HG CYS A 140 16.886 -16.861 0.459 1.00 0.00 H new ATOM 246 N ILE A 141 14.088 -13.428 4.167 1.00 0.00 N ATOM 247 CA ILE A 141 13.926 -12.126 4.804 1.00 0.00 C ATOM 248 C ILE A 141 13.872 -12.274 6.321 1.00 0.00 C ATOM 249 O ILE A 141 14.263 -11.368 7.057 1.00 0.00 O ATOM 250 CB ILE A 141 12.643 -11.459 4.307 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.900 -10.811 2.945 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.204 -10.386 5.306 1.00 0.00 C ATOM 253 CD1 ILE A 141 13.400 -11.869 1.962 1.00 0.00 C ATOM 0 H ILE A 141 13.305 -13.715 3.579 1.00 0.00 H new ATOM 0 HA ILE A 141 14.783 -11.505 4.543 1.00 0.00 H new ATOM 0 HB ILE A 141 11.858 -12.209 4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 141 11.984 -10.354 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 141 13.637 -10.014 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 141 11.289 -9.911 4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.021 -10.846 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 141 12.989 -9.636 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.583 -11.407 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 141 14.326 -12.305 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 141 12.648 -12.651 1.855 1.00 0.00 H new ATOM 265 N THR A 142 13.383 -13.421 6.781 1.00 0.00 N ATOM 266 CA THR A 142 13.282 -13.678 8.213 1.00 0.00 C ATOM 267 C THR A 142 14.661 -13.639 8.864 1.00 0.00 C ATOM 268 O THR A 142 14.789 -13.340 10.051 1.00 0.00 O ATOM 269 CB THR A 142 12.640 -15.045 8.456 1.00 0.00 C ATOM 270 OG1 THR A 142 12.089 -15.083 9.765 1.00 0.00 O ATOM 271 CG2 THR A 142 13.697 -16.140 8.313 1.00 0.00 C ATOM 0 H THR A 142 13.053 -14.182 6.188 1.00 0.00 H new ATOM 0 HA THR A 142 12.660 -12.901 8.658 1.00 0.00 H new ATOM 0 HB THR A 142 11.849 -15.210 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 142 11.676 -15.958 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 142 13.238 -17.113 8.486 1.00 0.00 H new ATOM 0 HG22 THR A 142 14.117 -16.111 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 142 14.490 -15.978 9.043 1.00 0.00 H new ATOM 279 N SER A 143 15.689 -13.942 8.078 1.00 0.00 N ATOM 280 CA SER A 143 17.055 -13.939 8.590 1.00 0.00 C ATOM 281 C SER A 143 17.766 -12.642 8.215 1.00 0.00 C ATOM 282 O SER A 143 17.124 -11.652 7.864 1.00 0.00 O ATOM 283 CB SER A 143 17.827 -15.129 8.021 1.00 0.00 C ATOM 284 OG SER A 143 16.928 -16.205 7.789 1.00 0.00 O ATOM 0 H SER A 143 15.604 -14.191 7.092 1.00 0.00 H new ATOM 0 HA SER A 143 17.016 -14.017 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 143 18.321 -14.846 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 143 18.608 -15.436 8.716 1.00 0.00 H new ATOM 0 HG SER A 143 17.420 -16.969 7.422 1.00 0.00 H new ATOM 290 N THR A 144 19.091 -12.658 8.290 1.00 0.00 N ATOM 291 CA THR A 144 19.880 -11.476 7.955 1.00 0.00 C ATOM 292 C THR A 144 19.424 -10.278 8.782 1.00 0.00 C ATOM 293 O THR A 144 18.356 -9.716 8.542 1.00 0.00 O ATOM 294 CB THR A 144 19.735 -11.156 6.466 1.00 0.00 C ATOM 295 OG1 THR A 144 18.462 -10.571 6.230 1.00 0.00 O ATOM 296 CG2 THR A 144 19.866 -12.443 5.650 1.00 0.00 C ATOM 0 H THR A 144 19.640 -13.469 8.577 1.00 0.00 H new ATOM 0 HA THR A 144 20.926 -11.683 8.181 1.00 0.00 H new ATOM 0 HB THR A 144 20.517 -10.458 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 144 17.937 -10.586 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 144 19.762 -12.214 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 144 20.843 -12.891 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 144 19.086 -13.143 5.947 1.00 0.00 H new ATOM 304 N ASP A 145 20.243 -9.893 9.755 1.00 0.00 N ATOM 305 CA ASP A 145 19.915 -8.758 10.612 1.00 0.00 C ATOM 306 C ASP A 145 21.065 -8.447 11.571 1.00 0.00 C ATOM 307 O ASP A 145 21.673 -7.380 11.485 1.00 0.00 O ATOM 308 CB ASP A 145 18.634 -9.044 11.400 1.00 0.00 C ATOM 309 CG ASP A 145 17.449 -8.355 10.733 1.00 0.00 C ATOM 310 OD1 ASP A 145 17.524 -7.154 10.530 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 16.482 -9.037 10.440 1.00 0.00 O ATOM 0 H ASP A 145 21.132 -10.345 9.969 1.00 0.00 H new ATOM 0 HA ASP A 145 19.755 -7.887 9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 145 18.460 -10.119 11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 145 18.741 -8.691 12.426 1.00 0.00 H new ATOM 316 N PRO A 146 21.384 -9.344 12.477 1.00 0.00 N ATOM 317 CA PRO A 146 22.496 -9.129 13.453 1.00 0.00 C ATOM 318 C PRO A 146 23.832 -8.888 12.755 1.00 0.00 C ATOM 319 O PRO A 146 23.950 -9.063 11.542 1.00 0.00 O ATOM 320 CB PRO A 146 22.537 -10.425 14.273 1.00 0.00 C ATOM 321 CG PRO A 146 21.773 -11.432 13.480 1.00 0.00 C ATOM 322 CD PRO A 146 20.738 -10.650 12.680 1.00 0.00 C ATOM 0 HA PRO A 146 22.327 -8.244 14.066 1.00 0.00 H new ATOM 0 HB2 PRO A 146 23.564 -10.753 14.436 1.00 0.00 H new ATOM 0 HB3 PRO A 146 22.089 -10.280 15.256 1.00 0.00 H new ATOM 0 HG2 PRO A 146 22.436 -11.990 12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 146 21.291 -12.158 14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 146 20.510 -11.138 11.732 1.00 0.00 H new ATOM 0 HD3 PRO A 146 19.798 -10.554 13.224 1.00 0.00 H new ATOM 330 N VAL A 147 24.834 -8.487 13.530 1.00 0.00 N ATOM 331 CA VAL A 147 26.157 -8.227 12.977 1.00 0.00 C ATOM 332 C VAL A 147 27.015 -9.487 13.025 1.00 0.00 C ATOM 333 O VAL A 147 28.199 -9.460 12.690 1.00 0.00 O ATOM 334 CB VAL A 147 26.843 -7.109 13.764 1.00 0.00 C ATOM 335 CG1 VAL A 147 26.952 -7.515 15.235 1.00 0.00 C ATOM 336 CG2 VAL A 147 28.246 -6.874 13.197 1.00 0.00 C ATOM 0 H VAL A 147 24.756 -8.336 14.536 1.00 0.00 H new ATOM 0 HA VAL A 147 26.041 -7.920 11.938 1.00 0.00 H new ATOM 0 HB VAL A 147 26.257 -6.193 13.681 1.00 0.00 H new ATOM 0 HG11 VAL A 147 27.441 -6.719 15.797 1.00 0.00 H new ATOM 0 HG12 VAL A 147 25.955 -7.686 15.640 1.00 0.00 H new ATOM 0 HG13 VAL A 147 27.538 -8.430 15.317 1.00 0.00 H new ATOM 0 HG21 VAL A 147 28.736 -6.077 13.757 1.00 0.00 H new ATOM 0 HG22 VAL A 147 28.831 -7.790 13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 147 28.171 -6.587 12.148 1.00 0.00 H new ATOM 346 N LEU A 148 26.407 -10.593 13.445 1.00 0.00 N ATOM 347 CA LEU A 148 27.125 -11.860 13.537 1.00 0.00 C ATOM 348 C LEU A 148 27.463 -12.383 12.144 1.00 0.00 C ATOM 349 O LEU A 148 28.550 -12.916 11.918 1.00 0.00 O ATOM 350 CB LEU A 148 26.271 -12.891 14.279 1.00 0.00 C ATOM 351 CG LEU A 148 27.164 -14.025 14.783 1.00 0.00 C ATOM 352 CD1 LEU A 148 27.516 -13.786 16.251 1.00 0.00 C ATOM 353 CD2 LEU A 148 26.419 -15.356 14.648 1.00 0.00 C ATOM 0 H LEU A 148 25.427 -10.638 13.725 1.00 0.00 H new ATOM 0 HA LEU A 148 28.052 -11.694 14.086 1.00 0.00 H new ATOM 0 HB2 LEU A 148 25.758 -12.419 15.116 1.00 0.00 H new ATOM 0 HB3 LEU A 148 25.502 -13.287 13.616 1.00 0.00 H new ATOM 0 HG LEU A 148 28.079 -14.056 14.192 1.00 0.00 H new ATOM 0 HD11 LEU A 148 28.153 -14.595 16.609 1.00 0.00 H new ATOM 0 HD12 LEU A 148 28.045 -12.838 16.349 1.00 0.00 H new ATOM 0 HD13 LEU A 148 26.602 -13.754 16.844 1.00 0.00 H new ATOM 0 HD21 LEU A 148 27.054 -16.166 15.007 1.00 0.00 H new ATOM 0 HD22 LEU A 148 25.504 -15.323 15.240 1.00 0.00 H new ATOM 0 HD23 LEU A 148 26.168 -15.528 13.601 1.00 0.00 H new ATOM 365 N SER A 149 26.526 -12.230 11.215 1.00 0.00 N ATOM 366 CA SER A 149 26.735 -12.691 9.847 1.00 0.00 C ATOM 367 C SER A 149 27.999 -12.072 9.261 1.00 0.00 C ATOM 368 O SER A 149 28.803 -12.757 8.630 1.00 0.00 O ATOM 369 CB SER A 149 25.533 -12.320 8.981 1.00 0.00 C ATOM 370 OG SER A 149 25.468 -10.907 8.850 1.00 0.00 O ATOM 0 H SER A 149 25.620 -11.793 11.382 1.00 0.00 H new ATOM 0 HA SER A 149 26.849 -13.775 9.862 1.00 0.00 H new ATOM 0 HB2 SER A 149 25.621 -12.784 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 149 24.615 -12.698 9.431 1.00 0.00 H new ATOM 0 HG SER A 149 24.699 -10.665 8.293 1.00 0.00 H new ATOM 376 N ALA A 150 28.167 -10.770 9.474 1.00 0.00 N ATOM 377 CA ALA A 150 29.337 -10.066 8.960 1.00 0.00 C ATOM 378 C ALA A 150 30.606 -10.566 9.646 1.00 0.00 C ATOM 379 O ALA A 150 31.695 -10.509 9.076 1.00 0.00 O ATOM 380 CB ALA A 150 29.187 -8.563 9.194 1.00 0.00 C ATOM 0 H ALA A 150 27.513 -10.185 9.995 1.00 0.00 H new ATOM 0 HA ALA A 150 29.414 -10.260 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 150 30.065 -8.045 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 150 28.297 -8.202 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 150 29.093 -8.369 10.262 1.00 0.00 H new ATOM 386 N LEU A 151 30.456 -11.057 10.872 1.00 0.00 N ATOM 387 CA LEU A 151 31.596 -11.564 11.626 1.00 0.00 C ATOM 388 C LEU A 151 32.109 -12.864 11.014 1.00 0.00 C ATOM 389 O LEU A 151 33.286 -12.978 10.674 1.00 0.00 O ATOM 390 CB LEU A 151 31.193 -11.808 13.082 1.00 0.00 C ATOM 391 CG LEU A 151 32.395 -11.561 13.994 1.00 0.00 C ATOM 392 CD1 LEU A 151 32.006 -11.858 15.443 1.00 0.00 C ATOM 393 CD2 LEU A 151 33.545 -12.481 13.578 1.00 0.00 C ATOM 0 H LEU A 151 29.563 -11.114 11.361 1.00 0.00 H new ATOM 0 HA LEU A 151 32.391 -10.820 11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 151 30.372 -11.147 13.358 1.00 0.00 H new ATOM 0 HB3 LEU A 151 30.834 -12.830 13.204 1.00 0.00 H new ATOM 0 HG LEU A 151 32.709 -10.521 13.908 1.00 0.00 H new ATOM 0 HD11 LEU A 151 32.863 -11.682 16.093 1.00 0.00 H new ATOM 0 HD12 LEU A 151 31.185 -11.206 15.740 1.00 0.00 H new ATOM 0 HD13 LEU A 151 31.693 -12.898 15.530 1.00 0.00 H new ATOM 0 HD21 LEU A 151 34.403 -12.307 14.227 1.00 0.00 H new ATOM 0 HD22 LEU A 151 33.229 -13.521 13.665 1.00 0.00 H new ATOM 0 HD23 LEU A 151 33.823 -12.272 12.545 1.00 0.00 H new ATOM 405 N ILE A 152 31.218 -13.838 10.878 1.00 0.00 N ATOM 406 CA ILE A 152 31.592 -15.127 10.305 1.00 0.00 C ATOM 407 C ILE A 152 31.844 -14.994 8.806 1.00 0.00 C ATOM 408 O ILE A 152 32.506 -15.837 8.201 1.00 0.00 O ATOM 409 CB ILE A 152 30.481 -16.149 10.548 1.00 0.00 C ATOM 410 CG1 ILE A 152 30.457 -16.531 12.030 1.00 0.00 C ATOM 411 CG2 ILE A 152 30.742 -17.399 9.706 1.00 0.00 C ATOM 412 CD1 ILE A 152 29.010 -16.551 12.530 1.00 0.00 C ATOM 0 H ILE A 152 30.239 -13.763 11.154 1.00 0.00 H new ATOM 0 HA ILE A 152 32.509 -15.466 10.788 1.00 0.00 H new ATOM 0 HB ILE A 152 29.521 -15.715 10.266 1.00 0.00 H new ATOM 0 HG12 ILE A 152 30.915 -17.510 12.171 1.00 0.00 H new ATOM 0 HG13 ILE A 152 31.043 -15.818 12.610 1.00 0.00 H new ATOM 0 HG21 ILE A 152 29.950 -18.127 9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 152 30.761 -17.129 8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 152 31.701 -17.833 9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 152 28.993 -16.823 13.585 1.00 0.00 H new ATOM 0 HD12 ILE A 152 28.567 -15.563 12.403 1.00 0.00 H new ATOM 0 HD13 ILE A 152 28.437 -17.281 11.958 1.00 0.00 H new ATOM 424 N VAL A 153 31.310 -13.932 8.213 1.00 0.00 N ATOM 425 CA VAL A 153 31.484 -13.699 6.784 1.00 0.00 C ATOM 426 C VAL A 153 30.834 -14.817 5.976 1.00 0.00 C ATOM 427 O VAL A 153 29.712 -15.234 6.265 1.00 0.00 O ATOM 428 CB VAL A 153 32.973 -13.620 6.445 1.00 0.00 C ATOM 429 CG1 VAL A 153 33.156 -12.906 5.106 1.00 0.00 C ATOM 430 CG2 VAL A 153 33.705 -12.842 7.541 1.00 0.00 C ATOM 0 H VAL A 153 30.757 -13.224 8.695 1.00 0.00 H new ATOM 0 HA VAL A 153 31.003 -12.755 6.528 1.00 0.00 H new ATOM 0 HB VAL A 153 33.383 -14.628 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 153 34.218 -12.850 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 153 32.635 -13.459 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 153 32.746 -11.898 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 153 34.766 -12.785 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 153 33.294 -11.835 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 153 33.577 -13.351 8.496 1.00 0.00 H new ATOM 440 N GLY A 154 31.544 -15.299 4.962 1.00 0.00 N ATOM 441 CA GLY A 154 31.027 -16.369 4.119 1.00 0.00 C ATOM 442 C GLY A 154 30.355 -15.804 2.872 1.00 0.00 C ATOM 443 O GLY A 154 31.026 -15.346 1.947 1.00 0.00 O ATOM 0 H GLY A 154 32.474 -14.968 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 154 31.841 -17.034 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 154 30.312 -16.968 4.683 1.00 0.00 H new TER 447 GLY A 154