USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 233 hydrogens (6 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 NoAdj-H: A 181 HSL H2 : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD NoAdj-H: A 181 HSL H : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 -13.457 -2.557 -7.629 1.00 0.00 N ATOM 2 CA PHE A 155 -13.657 -1.127 -7.276 1.00 0.00 C ATOM 3 C PHE A 155 -12.587 -0.644 -6.302 1.00 0.00 C ATOM 4 O PHE A 155 -12.203 -1.363 -5.380 1.00 0.00 O ATOM 5 CB PHE A 155 -15.046 -0.969 -6.654 1.00 0.00 C ATOM 6 CG PHE A 155 -16.138 -1.633 -7.445 1.00 0.00 C ATOM 7 CD1 PHE A 155 -16.473 -1.175 -8.710 1.00 0.00 C ATOM 8 CD2 PHE A 155 -16.829 -2.715 -6.922 1.00 0.00 C ATOM 9 CE1 PHE A 155 -17.477 -1.785 -9.438 1.00 0.00 C ATOM 10 CE2 PHE A 155 -17.834 -3.328 -7.647 1.00 0.00 C ATOM 11 CZ PHE A 155 -18.158 -2.862 -8.906 1.00 0.00 C ATOM 0 HA PHE A 155 -13.577 -0.521 -8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 155 -15.034 -1.386 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 155 -15.273 0.093 -6.557 1.00 0.00 H new ATOM 0 HD1 PHE A 155 -15.944 -0.333 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 155 -16.580 -3.083 -5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -17.729 -1.419 -10.423 1.00 0.00 H new ATOM 0 HE2 PHE A 155 -18.365 -4.170 -7.229 1.00 0.00 H new ATOM 0 HZ PHE A 155 -18.943 -3.339 -9.474 1.00 0.00 H new ATOM 23 N LEU A 156 -12.110 0.580 -6.512 1.00 0.00 N ATOM 24 CA LEU A 156 -11.083 1.163 -5.652 1.00 0.00 C ATOM 25 C LEU A 156 -9.891 0.222 -5.501 1.00 0.00 C ATOM 26 O LEU A 156 -9.523 -0.159 -4.389 1.00 0.00 O ATOM 27 CB LEU A 156 -11.668 1.496 -4.279 1.00 0.00 C ATOM 28 CG LEU A 156 -12.421 2.824 -4.203 1.00 0.00 C ATOM 29 CD1 LEU A 156 -13.323 2.858 -2.979 1.00 0.00 C ATOM 30 CD2 LEU A 156 -11.444 3.989 -4.181 1.00 0.00 C ATOM 0 H LEU A 156 -12.418 1.188 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 156 -10.732 2.082 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -12.345 0.694 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -10.858 1.512 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 156 -13.046 2.917 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 156 -13.851 3.811 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -14.046 2.045 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 156 -12.719 2.742 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 156 -11.997 4.927 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -10.793 3.901 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -10.841 3.975 -5.089 1.00 0.00 H new ATOM 42 N GLN A 157 -9.290 -0.147 -6.628 1.00 0.00 N ATOM 43 CA GLN A 157 -8.137 -1.043 -6.629 1.00 0.00 C ATOM 44 C GLN A 157 -8.554 -2.470 -6.290 1.00 0.00 C ATOM 45 O GLN A 157 -7.762 -3.250 -5.762 1.00 0.00 O ATOM 46 CB GLN A 157 -7.078 -0.559 -5.636 1.00 0.00 C ATOM 47 CG GLN A 157 -5.668 -1.004 -5.988 1.00 0.00 C ATOM 48 CD GLN A 157 -4.872 -1.438 -4.772 1.00 0.00 C ATOM 49 OE1 GLN A 157 -4.226 -0.622 -4.116 1.00 0.00 O ATOM 50 NE2 GLN A 157 -4.916 -2.729 -4.467 1.00 0.00 N ATOM 0 H GLN A 157 -9.583 0.161 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 157 -7.710 -1.036 -7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -7.106 0.530 -5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -7.329 -0.927 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -5.718 -1.829 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.147 -0.186 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -5.465 -3.370 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -4.401 -3.080 -3.660 1.00 0.00 H new ATOM 59 N SER A 158 -9.804 -2.807 -6.598 1.00 0.00 N ATOM 60 CA SER A 158 -10.327 -4.141 -6.327 1.00 0.00 C ATOM 61 C SER A 158 -10.121 -4.524 -4.864 1.00 0.00 C ATOM 62 O SER A 158 -9.717 -5.645 -4.553 1.00 0.00 O ATOM 63 CB SER A 158 -9.655 -5.170 -7.237 1.00 0.00 C ATOM 64 OG SER A 158 -10.558 -6.202 -7.592 1.00 0.00 O ATOM 0 H SER A 158 -10.473 -2.173 -7.036 1.00 0.00 H new ATOM 0 HA SER A 158 -11.398 -4.131 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 158 -9.287 -4.679 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.790 -5.598 -6.731 1.00 0.00 H new ATOM 0 HG SER A 158 -10.105 -6.847 -8.175 1.00 0.00 H new ATOM 70 N ASP A 159 -10.406 -3.584 -3.970 1.00 0.00 N ATOM 71 CA ASP A 159 -10.257 -3.817 -2.539 1.00 0.00 C ATOM 72 C ASP A 159 -11.040 -2.781 -1.743 1.00 0.00 C ATOM 73 O ASP A 159 -11.903 -3.129 -0.936 1.00 0.00 O ATOM 74 CB ASP A 159 -8.781 -3.775 -2.144 1.00 0.00 C ATOM 75 CG ASP A 159 -8.103 -5.122 -2.299 1.00 0.00 C ATOM 76 OD1 ASP A 159 -8.791 -6.154 -2.151 1.00 0.00 O ATOM 77 OD2 ASP A 159 -6.884 -5.146 -2.568 1.00 0.00 O ATOM 0 H ASP A 159 -10.742 -2.652 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 159 -10.655 -4.806 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -8.264 -3.038 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -8.694 -3.444 -1.109 1.00 0.00 H new ATOM 82 N VAL A 160 -10.727 -1.506 -1.976 1.00 0.00 N ATOM 83 CA VAL A 160 -11.372 -0.393 -1.299 1.00 0.00 C ATOM 84 C VAL A 160 -11.003 -0.395 0.177 1.00 0.00 C ATOM 85 O VAL A 160 -10.409 0.562 0.673 1.00 0.00 O ATOM 86 CB VAL A 160 -12.912 -0.353 -1.514 1.00 0.00 C ATOM 87 CG1 VAL A 160 -13.394 -1.433 -2.477 1.00 0.00 C ATOM 88 CG2 VAL A 160 -13.684 -0.424 -0.200 1.00 0.00 C ATOM 0 H VAL A 160 -10.013 -1.220 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 160 -10.996 0.524 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 160 -13.120 0.615 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -14.476 -1.361 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -12.916 -1.295 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -13.136 -2.415 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -14.754 -0.393 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -13.440 -1.353 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -13.410 0.423 0.429 1.00 0.00 H new ATOM 98 N PHE A 161 -11.310 -1.484 0.866 1.00 0.00 N ATOM 99 CA PHE A 161 -10.954 -1.614 2.267 1.00 0.00 C ATOM 100 C PHE A 161 -9.450 -1.858 2.380 1.00 0.00 C ATOM 101 O PHE A 161 -9.004 -2.780 3.065 1.00 0.00 O ATOM 102 CB PHE A 161 -11.749 -2.751 2.927 1.00 0.00 C ATOM 103 CG PHE A 161 -11.271 -4.141 2.586 1.00 0.00 C ATOM 104 CD1 PHE A 161 -10.606 -4.401 1.395 1.00 0.00 C ATOM 105 CD2 PHE A 161 -11.492 -5.189 3.465 1.00 0.00 C ATOM 106 CE1 PHE A 161 -10.174 -5.678 1.091 1.00 0.00 C ATOM 107 CE2 PHE A 161 -11.062 -6.468 3.165 1.00 0.00 C ATOM 108 CZ PHE A 161 -10.402 -6.713 1.977 1.00 0.00 C ATOM 0 H PHE A 161 -11.804 -2.287 0.477 1.00 0.00 H new ATOM 0 HA PHE A 161 -11.206 -0.693 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -11.708 -2.623 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -12.795 -2.660 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -10.424 -3.596 0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -12.007 -5.004 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -9.658 -5.867 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -11.242 -7.275 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 161 -10.065 -7.712 1.741 1.00 0.00 H new ATOM 118 N PHE A 162 -8.672 -1.025 1.688 1.00 0.00 N ATOM 119 CA PHE A 162 -7.223 -1.145 1.690 1.00 0.00 C ATOM 120 C PHE A 162 -6.555 0.095 1.111 1.00 0.00 C ATOM 121 O PHE A 162 -5.449 0.452 1.518 1.00 0.00 O ATOM 122 CB PHE A 162 -6.772 -2.366 0.900 1.00 0.00 C ATOM 123 CG PHE A 162 -6.782 -3.640 1.696 1.00 0.00 C ATOM 124 CD1 PHE A 162 -6.259 -3.676 2.980 1.00 0.00 C ATOM 125 CD2 PHE A 162 -7.309 -4.804 1.160 1.00 0.00 C ATOM 126 CE1 PHE A 162 -6.263 -4.848 3.712 1.00 0.00 C ATOM 127 CE2 PHE A 162 -7.316 -5.978 1.888 1.00 0.00 C ATOM 128 CZ PHE A 162 -6.792 -6.000 3.166 1.00 0.00 C ATOM 0 H PHE A 162 -9.028 -0.258 1.118 1.00 0.00 H new ATOM 0 HA PHE A 162 -6.920 -1.255 2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.420 -2.486 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -5.764 -2.192 0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -5.844 -2.778 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -7.719 -4.793 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -5.852 -4.863 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -7.731 -6.878 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 162 -6.796 -6.917 3.737 1.00 0.00 H new ATOM 138 N LEU A 163 -7.225 0.766 0.174 1.00 0.00 N ATOM 139 CA LEU A 163 -6.665 1.971 -0.418 1.00 0.00 C ATOM 140 C LEU A 163 -6.404 2.979 0.688 1.00 0.00 C ATOM 141 O LEU A 163 -5.418 3.715 0.666 1.00 0.00 O ATOM 142 CB LEU A 163 -7.622 2.560 -1.457 1.00 0.00 C ATOM 143 CG LEU A 163 -7.496 1.975 -2.865 1.00 0.00 C ATOM 144 CD1 LEU A 163 -8.408 2.717 -3.831 1.00 0.00 C ATOM 145 CD2 LEU A 163 -6.053 2.035 -3.342 1.00 0.00 C ATOM 0 H LEU A 163 -8.142 0.498 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 163 -5.732 1.726 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -8.645 2.413 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -7.456 3.636 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 163 -7.803 0.930 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -8.307 2.289 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.442 2.624 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.129 3.770 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -5.984 1.614 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -5.718 3.072 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -5.421 1.461 -2.664 1.00 0.00 H new ATOM 157 N PHE A 164 -7.285 2.963 1.684 1.00 0.00 N ATOM 158 CA PHE A 164 -7.153 3.828 2.844 1.00 0.00 C ATOM 159 C PHE A 164 -6.833 5.266 2.443 1.00 0.00 C ATOM 160 O PHE A 164 -6.010 5.926 3.079 1.00 0.00 O ATOM 161 CB PHE A 164 -6.058 3.268 3.753 1.00 0.00 C ATOM 162 CG PHE A 164 -6.371 3.389 5.217 1.00 0.00 C ATOM 163 CD1 PHE A 164 -7.210 2.477 5.838 1.00 0.00 C ATOM 164 CD2 PHE A 164 -5.826 4.416 5.973 1.00 0.00 C ATOM 165 CE1 PHE A 164 -7.500 2.588 7.185 1.00 0.00 C ATOM 166 CE2 PHE A 164 -6.112 4.530 7.320 1.00 0.00 C ATOM 167 CZ PHE A 164 -6.950 3.615 7.928 1.00 0.00 C ATOM 0 H PHE A 164 -8.103 2.354 1.707 1.00 0.00 H new ATOM 0 HA PHE A 164 -8.104 3.850 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -5.898 2.218 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -5.123 3.789 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -7.642 1.671 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -5.171 5.135 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -8.157 1.872 7.657 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -5.681 5.334 7.898 1.00 0.00 H new ATOM 0 HZ PHE A 164 -7.174 3.702 8.981 1.00 0.00 H new ATOM 177 N LEU A 165 -7.486 5.738 1.378 1.00 0.00 N ATOM 178 CA LEU A 165 -7.283 7.099 0.866 1.00 0.00 C ATOM 179 C LEU A 165 -6.113 7.149 -0.106 1.00 0.00 C ATOM 180 O LEU A 165 -6.083 7.977 -1.016 1.00 0.00 O ATOM 181 CB LEU A 165 -7.032 8.095 2.002 1.00 0.00 C ATOM 182 CG LEU A 165 -7.732 9.448 1.847 1.00 0.00 C ATOM 183 CD1 LEU A 165 -8.500 9.804 3.110 1.00 0.00 C ATOM 184 CD2 LEU A 165 -6.724 10.538 1.512 1.00 0.00 C ATOM 0 H LEU A 165 -8.166 5.193 0.848 1.00 0.00 H new ATOM 0 HA LEU A 165 -8.198 7.380 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -7.355 7.642 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -5.959 8.266 2.084 1.00 0.00 H new ATOM 0 HG LEU A 165 -8.442 9.371 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -8.990 10.769 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -9.252 9.039 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -7.810 9.859 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -7.241 11.492 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.988 10.611 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -6.220 10.293 0.577 1.00 0.00 H new ATOM 196 N LEU A 166 -5.140 6.272 0.106 1.00 0.00 N ATOM 197 CA LEU A 166 -3.959 6.231 -0.735 1.00 0.00 C ATOM 198 C LEU A 166 -3.245 4.887 -0.587 1.00 0.00 C ATOM 199 O LEU A 166 -3.053 4.401 0.527 1.00 0.00 O ATOM 200 CB LEU A 166 -3.026 7.378 -0.348 1.00 0.00 C ATOM 201 CG LEU A 166 -2.608 8.294 -1.499 1.00 0.00 C ATOM 202 CD1 LEU A 166 -3.572 9.464 -1.626 1.00 0.00 C ATOM 203 CD2 LEU A 166 -1.185 8.792 -1.294 1.00 0.00 C ATOM 0 H LEU A 166 -5.149 5.580 0.855 1.00 0.00 H new ATOM 0 HA LEU A 166 -4.254 6.343 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -3.516 7.982 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -2.128 6.958 0.105 1.00 0.00 H new ATOM 0 HG LEU A 166 -2.641 7.721 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -3.259 10.105 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -4.577 9.088 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -3.572 10.038 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -0.904 9.442 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -1.126 9.349 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -0.504 7.942 -1.253 1.00 0.00 H new ATOM 215 N PRO A 167 -2.847 4.263 -1.708 1.00 0.00 N ATOM 216 CA PRO A 167 -2.160 2.969 -1.688 1.00 0.00 C ATOM 217 C PRO A 167 -0.951 2.966 -0.753 1.00 0.00 C ATOM 218 O PRO A 167 0.073 3.582 -1.047 1.00 0.00 O ATOM 219 CB PRO A 167 -1.712 2.761 -3.143 1.00 0.00 C ATOM 220 CG PRO A 167 -1.917 4.077 -3.821 1.00 0.00 C ATOM 221 CD PRO A 167 -3.029 4.758 -3.078 1.00 0.00 C ATOM 0 HA PRO A 167 -2.811 2.177 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 167 -0.667 2.454 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 167 -2.297 1.977 -3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 167 -1.006 4.675 -3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -2.177 3.939 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -2.947 5.844 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -4.007 4.492 -3.479 1.00 0.00 H new ATOM 229 N PRO A 168 -1.052 2.262 0.391 1.00 0.00 N ATOM 230 CA PRO A 168 0.039 2.177 1.366 1.00 0.00 C ATOM 231 C PRO A 168 1.188 1.313 0.864 1.00 0.00 C ATOM 232 O PRO A 168 1.288 0.135 1.204 1.00 0.00 O ATOM 233 CB PRO A 168 -0.625 1.531 2.583 1.00 0.00 C ATOM 234 CG PRO A 168 -1.735 0.721 2.010 1.00 0.00 C ATOM 235 CD PRO A 168 -2.234 1.491 0.820 1.00 0.00 C ATOM 0 HA PRO A 168 0.482 3.151 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 168 0.078 0.908 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -0.999 2.283 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -1.385 -0.269 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -2.530 0.574 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -2.588 0.827 0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -3.066 2.144 1.084 1.00 0.00 H new ATOM 243 N ILE A 169 2.051 1.906 0.051 1.00 0.00 N ATOM 244 CA ILE A 169 3.196 1.194 -0.504 1.00 0.00 C ATOM 245 C ILE A 169 4.272 0.991 0.553 1.00 0.00 C ATOM 246 O ILE A 169 4.849 -0.086 0.677 1.00 0.00 O ATOM 247 CB ILE A 169 3.806 1.961 -1.702 1.00 0.00 C ATOM 248 CG1 ILE A 169 4.654 1.020 -2.562 1.00 0.00 C ATOM 249 CG2 ILE A 169 4.636 3.155 -1.229 1.00 0.00 C ATOM 250 CD1 ILE A 169 5.921 0.546 -1.883 1.00 0.00 C ATOM 0 H ILE A 169 1.980 2.881 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 169 2.836 0.224 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 169 2.987 2.345 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 169 4.053 0.153 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 169 4.918 1.529 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 169 5.052 3.674 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 169 4.001 3.839 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 169 5.448 2.804 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 169 6.468 -0.116 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 169 6.544 1.405 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 169 5.665 0.007 -0.971 1.00 0.00 H new ATOM 262 N ILE A 170 4.539 2.057 1.288 1.00 0.00 N ATOM 263 CA ILE A 170 5.552 2.059 2.326 1.00 0.00 C ATOM 264 C ILE A 170 5.055 1.407 3.614 1.00 0.00 C ATOM 265 O ILE A 170 5.756 0.596 4.217 1.00 0.00 O ATOM 266 CB ILE A 170 6.019 3.493 2.608 1.00 0.00 C ATOM 267 CG1 ILE A 170 4.837 4.325 3.106 1.00 0.00 C ATOM 268 CG2 ILE A 170 6.639 4.098 1.354 1.00 0.00 C ATOM 269 CD1 ILE A 170 4.894 5.791 2.728 1.00 0.00 C ATOM 0 H ILE A 170 4.056 2.949 1.180 1.00 0.00 H new ATOM 0 HA ILE A 170 6.392 1.468 1.962 1.00 0.00 H new ATOM 0 HB ILE A 170 6.784 3.486 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 170 3.916 3.897 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 170 4.785 4.245 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 170 6.967 5.116 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 170 7.495 3.498 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 170 5.899 4.114 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 170 4.016 6.303 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 170 5.795 6.240 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 170 4.912 5.886 1.642 1.00 0.00 H new ATOM 281 N LEU A 171 3.842 1.757 4.028 1.00 0.00 N ATOM 282 CA LEU A 171 3.263 1.189 5.240 1.00 0.00 C ATOM 283 C LEU A 171 2.997 -0.296 5.040 1.00 0.00 C ATOM 284 O LEU A 171 3.485 -1.137 5.796 1.00 0.00 O ATOM 285 CB LEU A 171 1.964 1.913 5.602 1.00 0.00 C ATOM 286 CG LEU A 171 2.007 3.436 5.458 1.00 0.00 C ATOM 287 CD1 LEU A 171 0.703 4.052 5.937 1.00 0.00 C ATOM 288 CD2 LEU A 171 3.187 4.012 6.227 1.00 0.00 C ATOM 0 H LEU A 171 3.244 2.427 3.545 1.00 0.00 H new ATOM 0 HA LEU A 171 3.970 1.317 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.163 1.527 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 171 1.705 1.668 6.632 1.00 0.00 H new ATOM 0 HG LEU A 171 2.135 3.680 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 171 0.751 5.135 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -0.123 3.663 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 171 0.545 3.800 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 171 3.201 5.096 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 171 3.091 3.759 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.115 3.594 5.837 1.00 0.00 H new ATOM 300 N ASP A 172 2.232 -0.609 4.000 1.00 0.00 N ATOM 301 CA ASP A 172 1.908 -1.990 3.670 1.00 0.00 C ATOM 302 C ASP A 172 3.102 -2.703 3.030 1.00 0.00 C ATOM 303 O ASP A 172 2.983 -3.849 2.594 1.00 0.00 O ATOM 304 CB ASP A 172 0.701 -2.041 2.730 1.00 0.00 C ATOM 305 CG ASP A 172 -0.294 -3.115 3.127 1.00 0.00 C ATOM 306 OD1 ASP A 172 -0.414 -3.394 4.338 1.00 0.00 O ATOM 307 OD2 ASP A 172 -0.952 -3.676 2.226 1.00 0.00 O ATOM 0 H ASP A 172 1.823 0.080 3.369 1.00 0.00 H new ATOM 0 HA ASP A 172 1.662 -2.507 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 172 0.204 -1.071 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 172 1.044 -2.225 1.712 1.00 0.00 H new ATOM 312 N ALA A 173 4.255 -2.031 2.981 1.00 0.00 N ATOM 313 CA ALA A 173 5.451 -2.625 2.399 1.00 0.00 C ATOM 314 C ALA A 173 6.008 -3.682 3.339 1.00 0.00 C ATOM 315 O ALA A 173 6.309 -4.804 2.932 1.00 0.00 O ATOM 316 CB ALA A 173 6.502 -1.557 2.125 1.00 0.00 C ATOM 0 H ALA A 173 4.381 -1.083 3.336 1.00 0.00 H new ATOM 0 HA ALA A 173 5.185 -3.093 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.387 -2.021 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.100 -0.821 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.772 -1.064 3.059 1.00 0.00 H new ATOM 322 N GLY A 174 6.118 -3.311 4.608 1.00 0.00 N ATOM 323 CA GLY A 174 6.610 -4.223 5.620 1.00 0.00 C ATOM 324 C GLY A 174 5.591 -4.445 6.724 1.00 0.00 C ATOM 325 O GLY A 174 5.831 -5.223 7.645 1.00 0.00 O ATOM 0 H GLY A 174 5.872 -2.384 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.859 -5.178 5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.530 -3.827 6.049 1.00 0.00 H new ATOM 329 N TYR A 175 4.444 -3.758 6.612 1.00 0.00 N ATOM 330 CA TYR A 175 3.341 -3.844 7.573 1.00 0.00 C ATOM 331 C TYR A 175 3.761 -3.489 9.003 1.00 0.00 C ATOM 332 O TYR A 175 3.108 -2.675 9.656 1.00 0.00 O ATOM 333 CB TYR A 175 2.656 -5.217 7.536 1.00 0.00 C ATOM 334 CG TYR A 175 3.492 -6.342 6.965 1.00 0.00 C ATOM 335 CD1 TYR A 175 3.713 -6.444 5.596 1.00 0.00 C ATOM 336 CD2 TYR A 175 4.055 -7.304 7.793 1.00 0.00 C ATOM 337 CE1 TYR A 175 4.471 -7.472 5.071 1.00 0.00 C ATOM 338 CE2 TYR A 175 4.816 -8.335 7.275 1.00 0.00 C ATOM 339 CZ TYR A 175 5.021 -8.416 5.915 1.00 0.00 C ATOM 340 OH TYR A 175 5.776 -9.443 5.396 1.00 0.00 O ATOM 0 H TYR A 175 4.257 -3.119 5.839 1.00 0.00 H new ATOM 0 HA TYR A 175 2.618 -3.092 7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 175 2.361 -5.485 8.550 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.741 -5.133 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.285 -5.707 4.932 1.00 0.00 H new ATOM 0 HD2 TYR A 175 3.896 -7.246 8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 175 4.633 -7.537 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 175 5.248 -9.074 7.934 1.00 0.00 H new ATOM 0 HH TYR A 175 6.090 -10.019 6.124 1.00 0.00 H new ATOM 350 N PHE A 176 4.840 -4.090 9.495 1.00 0.00 N ATOM 351 CA PHE A 176 5.313 -3.815 10.847 1.00 0.00 C ATOM 352 C PHE A 176 6.319 -2.664 10.856 1.00 0.00 C ATOM 353 O PHE A 176 6.961 -2.399 11.872 1.00 0.00 O ATOM 354 CB PHE A 176 5.954 -5.070 11.448 1.00 0.00 C ATOM 355 CG PHE A 176 7.200 -5.509 10.731 1.00 0.00 C ATOM 356 CD1 PHE A 176 8.407 -4.869 10.955 1.00 0.00 C ATOM 357 CD2 PHE A 176 7.162 -6.564 9.833 1.00 0.00 C ATOM 358 CE1 PHE A 176 9.555 -5.271 10.297 1.00 0.00 C ATOM 359 CE2 PHE A 176 8.307 -6.972 9.172 1.00 0.00 C ATOM 360 CZ PHE A 176 9.504 -6.324 9.405 1.00 0.00 C ATOM 0 H PHE A 176 5.401 -4.768 8.980 1.00 0.00 H new ATOM 0 HA PHE A 176 4.454 -3.524 11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 176 6.194 -4.880 12.494 1.00 0.00 H new ATOM 0 HB3 PHE A 176 5.228 -5.883 11.430 1.00 0.00 H new ATOM 0 HD1 PHE A 176 8.453 -4.046 11.652 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.228 -7.073 9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 176 10.490 -4.762 10.480 1.00 0.00 H new ATOM 0 HE2 PHE A 176 8.265 -7.796 8.475 1.00 0.00 H new ATOM 0 HZ PHE A 176 10.399 -6.640 8.890 1.00 0.00 H new ATOM 370 N LEU A 177 6.447 -1.980 9.722 1.00 0.00 N ATOM 371 CA LEU A 177 7.367 -0.856 9.604 1.00 0.00 C ATOM 372 C LEU A 177 6.875 0.334 10.433 1.00 0.00 C ATOM 373 O LEU A 177 7.624 0.892 11.234 1.00 0.00 O ATOM 374 CB LEU A 177 7.537 -0.471 8.125 1.00 0.00 C ATOM 375 CG LEU A 177 7.420 1.020 7.803 1.00 0.00 C ATOM 376 CD1 LEU A 177 8.556 1.796 8.452 1.00 0.00 C ATOM 377 CD2 LEU A 177 7.409 1.244 6.298 1.00 0.00 C ATOM 0 H LEU A 177 5.924 -2.186 8.871 1.00 0.00 H new ATOM 0 HA LEU A 177 8.340 -1.152 9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 177 8.514 -0.819 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 177 6.789 -1.008 7.542 1.00 0.00 H new ATOM 0 HG LEU A 177 6.477 1.386 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 177 8.457 2.855 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 177 8.516 1.663 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 177 9.510 1.427 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 177 7.325 2.311 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 177 8.334 0.861 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 177 6.560 0.721 5.858 1.00 0.00 H new ATOM 389 N PRO A 178 5.603 0.735 10.250 1.00 0.00 N ATOM 390 CA PRO A 178 5.014 1.862 10.986 1.00 0.00 C ATOM 391 C PRO A 178 4.999 1.621 12.494 1.00 0.00 C ATOM 392 O PRO A 178 3.968 1.268 13.067 1.00 0.00 O ATOM 393 CB PRO A 178 3.580 1.942 10.442 1.00 0.00 C ATOM 394 CG PRO A 178 3.618 1.213 9.142 1.00 0.00 C ATOM 395 CD PRO A 178 4.640 0.129 9.316 1.00 0.00 C ATOM 0 HA PRO A 178 5.585 2.780 10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 178 2.871 1.483 11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 178 3.267 2.977 10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 178 2.641 0.795 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 178 3.891 1.882 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.199 -0.781 9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.109 -0.140 8.370 1.00 0.00 H new ATOM 403 N LEU A 179 6.151 1.814 13.133 1.00 0.00 N ATOM 404 CA LEU A 179 6.270 1.616 14.573 1.00 0.00 C ATOM 405 C LEU A 179 6.038 2.919 15.330 1.00 0.00 C ATOM 406 O LEU A 179 5.083 3.042 16.098 1.00 0.00 O ATOM 407 CB LEU A 179 7.650 1.052 14.919 1.00 0.00 C ATOM 408 CG LEU A 179 7.642 -0.132 15.888 1.00 0.00 C ATOM 409 CD1 LEU A 179 6.881 0.221 17.157 1.00 0.00 C ATOM 410 CD2 LEU A 179 7.035 -1.358 15.224 1.00 0.00 C ATOM 0 H LEU A 179 7.014 2.107 12.675 1.00 0.00 H new ATOM 0 HA LEU A 179 5.504 0.903 14.877 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.141 0.743 13.996 1.00 0.00 H new ATOM 0 HB3 LEU A 179 8.254 1.850 15.350 1.00 0.00 H new ATOM 0 HG LEU A 179 8.672 -0.362 16.160 1.00 0.00 H new ATOM 0 HD11 LEU A 179 6.886 -0.633 17.834 1.00 0.00 H new ATOM 0 HD12 LEU A 179 7.359 1.072 17.643 1.00 0.00 H new ATOM 0 HD13 LEU A 179 5.852 0.478 16.905 1.00 0.00 H new ATOM 0 HD21 LEU A 179 7.037 -2.191 15.927 1.00 0.00 H new ATOM 0 HD22 LEU A 179 6.010 -1.139 14.924 1.00 0.00 H new ATOM 0 HD23 LEU A 179 7.622 -1.624 14.345 1.00 0.00 H new ATOM 422 N ARG A 180 6.918 3.891 15.110 1.00 0.00 N ATOM 423 CA ARG A 180 6.809 5.184 15.774 1.00 0.00 C ATOM 424 C ARG A 180 5.893 6.120 14.992 1.00 0.00 C ATOM 425 O ARG A 180 5.894 7.332 15.209 1.00 0.00 O ATOM 426 CB ARG A 180 8.192 5.818 15.930 1.00 0.00 C ATOM 427 CG ARG A 180 9.256 4.844 16.411 1.00 0.00 C ATOM 428 CD ARG A 180 10.231 4.489 15.300 1.00 0.00 C ATOM 429 NE ARG A 180 10.539 3.061 15.279 1.00 0.00 N ATOM 430 CZ ARG A 180 11.360 2.494 14.400 1.00 0.00 C ATOM 431 NH1 ARG A 180 11.958 3.228 13.470 1.00 0.00 N ATOM 432 NH2 ARG A 180 11.586 1.188 14.451 1.00 0.00 N ATOM 0 H ARG A 180 7.714 3.807 14.477 1.00 0.00 H new ATOM 0 HA ARG A 180 6.377 5.023 16.762 1.00 0.00 H new ATOM 0 HB2 ARG A 180 8.501 6.237 14.972 1.00 0.00 H new ATOM 0 HB3 ARG A 180 8.125 6.647 16.634 1.00 0.00 H new ATOM 0 HG2 ARG A 180 9.800 5.282 17.248 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.779 3.937 16.781 1.00 0.00 H new ATOM 0 HD2 ARG A 180 9.809 4.783 14.339 1.00 0.00 H new ATOM 0 HD3 ARG A 180 11.152 5.057 15.431 1.00 0.00 H new ATOM 0 HE ARG A 180 10.099 2.464 15.979 1.00 0.00 H new ATOM 0 HH11 ARG A 180 11.789 4.233 13.427 1.00 0.00 H new ATOM 0 HH12 ARG A 180 12.587 2.787 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 180 11.130 0.619 15.164 1.00 0.00 H new ATOM 0 HH22 ARG A 180 12.216 0.753 13.777 1.00 0.00 H new HETATM 446 N HSL A 181 5.087 5.508 14.047 1.00 0.00 N HETATM 447 CA HSL A 181 4.161 6.255 13.221 1.00 0.00 C HETATM 448 C HSL A 181 2.717 5.832 13.449 1.00 0.00 C HETATM 449 O HSL A 181 2.193 5.551 14.501 1.00 0.00 O HETATM 450 CB HSL A 181 4.349 6.038 11.729 1.00 0.00 C HETATM 451 CG HSL A 181 2.927 6.185 11.208 1.00 0.00 C HETATM 452 OD HSL A 181 2.079 5.815 12.266 1.00 0.00 O HETATM 0 HG3 HSL A 181 2.732 7.210 10.894 1.00 0.00 H new HETATM 0 HG2 HSL A 181 2.764 5.549 10.338 1.00 0.00 H new HETATM 0 HB3 HSL A 181 5.022 6.775 11.291 1.00 0.00 H new HETATM 0 HB2 HSL A 181 4.765 5.055 11.509 1.00 0.00 H new HETATM 0 HA HSL A 181 4.366 7.286 13.509 1.00 0.00 H new TER 459 HSL A 181