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= -0.0805 X(o=-0.081,f=-0.49) 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 1.530 12.841 -4.396 1.00 0.00 N ATOM 2 CA PHE A 155 1.879 14.100 -5.107 1.00 0.00 C ATOM 3 C PHE A 155 1.826 13.933 -6.618 1.00 0.00 C ATOM 4 O PHE A 155 1.958 14.902 -7.365 1.00 0.00 O ATOM 5 CB PHE A 155 3.279 14.528 -4.675 1.00 0.00 C ATOM 6 CG PHE A 155 3.426 16.013 -4.505 1.00 0.00 C ATOM 7 CD1 PHE A 155 3.557 16.840 -5.609 1.00 0.00 C ATOM 8 CD2 PHE A 155 3.433 16.581 -3.241 1.00 0.00 C ATOM 9 CE1 PHE A 155 3.691 18.208 -5.455 1.00 0.00 C ATOM 10 CE2 PHE A 155 3.566 17.948 -3.082 1.00 0.00 C ATOM 11 CZ PHE A 155 3.695 18.762 -4.191 1.00 0.00 C ATOM 0 HA PHE A 155 1.147 14.864 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 155 3.526 14.036 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 155 4.001 14.182 -5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 155 3.554 16.412 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 155 3.334 15.949 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 155 3.792 18.842 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 155 3.569 18.379 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 155 3.799 19.830 -4.069 1.00 0.00 H new ATOM 23 N LEU A 156 1.628 12.702 -7.060 1.00 0.00 N ATOM 24 CA LEU A 156 1.549 12.402 -8.477 1.00 0.00 C ATOM 25 C LEU A 156 2.868 12.706 -9.180 1.00 0.00 C ATOM 26 O LEU A 156 2.979 13.683 -9.921 1.00 0.00 O ATOM 27 CB LEU A 156 0.412 13.193 -9.127 1.00 0.00 C ATOM 28 CG LEU A 156 -0.981 12.579 -8.970 1.00 0.00 C ATOM 29 CD1 LEU A 156 -2.048 13.547 -9.454 1.00 0.00 C ATOM 30 CD2 LEU A 156 -1.069 11.263 -9.728 1.00 0.00 C ATOM 0 H LEU A 156 1.519 11.890 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 156 1.346 11.336 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 156 0.399 14.197 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 156 0.627 13.300 -10.190 1.00 0.00 H new ATOM 0 HG LEU A 156 -1.154 12.380 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 156 -3.032 13.093 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -1.999 14.465 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 156 -1.880 13.778 -10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 156 -2.066 10.839 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -0.876 11.439 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -0.328 10.567 -9.335 1.00 0.00 H new ATOM 42 N GLN A 157 3.866 11.861 -8.945 1.00 0.00 N ATOM 43 CA GLN A 157 5.178 12.036 -9.559 1.00 0.00 C ATOM 44 C GLN A 157 6.055 10.813 -9.323 1.00 0.00 C ATOM 45 O GLN A 157 7.265 10.928 -9.129 1.00 0.00 O ATOM 46 CB GLN A 157 5.860 13.292 -9.009 1.00 0.00 C ATOM 47 CG GLN A 157 6.461 14.178 -10.086 1.00 0.00 C ATOM 48 CD GLN A 157 5.566 15.348 -10.446 1.00 0.00 C ATOM 49 OE1 GLN A 157 5.001 16.004 -9.572 1.00 0.00 O ATOM 50 NE2 GLN A 157 5.431 15.614 -11.741 1.00 0.00 N ATOM 0 H GLN A 157 3.792 11.048 -8.334 1.00 0.00 H new ATOM 0 HA GLN A 157 5.038 12.154 -10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 157 5.133 13.870 -8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 157 6.646 12.994 -8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 157 7.425 14.555 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 157 6.649 13.581 -10.979 1.00 0.00 H new ATOM 0 HE21 GLN A 157 5.918 15.044 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 157 4.840 16.388 -12.044 1.00 0.00 H new ATOM 59 N SER A 158 5.431 9.643 -9.345 1.00 0.00 N ATOM 60 CA SER A 158 6.138 8.387 -9.139 1.00 0.00 C ATOM 61 C SER A 158 5.270 7.217 -9.587 1.00 0.00 C ATOM 62 O SER A 158 4.487 6.679 -8.805 1.00 0.00 O ATOM 63 CB SER A 158 6.518 8.222 -7.666 1.00 0.00 C ATOM 64 OG SER A 158 6.860 6.877 -7.376 1.00 0.00 O ATOM 0 H SER A 158 4.429 9.538 -9.505 1.00 0.00 H new ATOM 0 HA SER A 158 7.050 8.401 -9.735 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.359 8.874 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 158 5.685 8.533 -7.035 1.00 0.00 H new ATOM 0 HG SER A 158 7.100 6.797 -6.429 1.00 0.00 H new ATOM 70 N ASP A 159 5.404 6.839 -10.856 1.00 0.00 N ATOM 71 CA ASP A 159 4.621 5.741 -11.423 1.00 0.00 C ATOM 72 C ASP A 159 3.162 6.157 -11.603 1.00 0.00 C ATOM 73 O ASP A 159 2.632 6.117 -12.712 1.00 0.00 O ATOM 74 CB ASP A 159 4.709 4.492 -10.536 1.00 0.00 C ATOM 75 CG ASP A 159 5.530 3.384 -11.169 1.00 0.00 C ATOM 76 OD1 ASP A 159 5.838 3.485 -12.376 1.00 0.00 O ATOM 77 OD2 ASP A 159 5.866 2.415 -10.456 1.00 0.00 O ATOM 0 H ASP A 159 6.049 7.277 -11.514 1.00 0.00 H new ATOM 0 HA ASP A 159 5.039 5.500 -12.401 1.00 0.00 H new ATOM 0 HB2 ASP A 159 5.149 4.763 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 159 3.704 4.124 -10.333 1.00 0.00 H new ATOM 82 N VAL A 160 2.530 6.563 -10.500 1.00 0.00 N ATOM 83 CA VAL A 160 1.134 7.005 -10.499 1.00 0.00 C ATOM 84 C VAL A 160 0.176 5.844 -10.223 1.00 0.00 C ATOM 85 O VAL A 160 -0.685 5.948 -9.354 1.00 0.00 O ATOM 86 CB VAL A 160 0.741 7.743 -11.810 1.00 0.00 C ATOM 87 CG1 VAL A 160 -0.052 6.851 -12.761 1.00 0.00 C ATOM 88 CG2 VAL A 160 -0.046 9.006 -11.489 1.00 0.00 C ATOM 0 H VAL A 160 2.972 6.595 -9.581 1.00 0.00 H new ATOM 0 HA VAL A 160 1.042 7.724 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 160 1.666 8.014 -12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -0.303 7.412 -13.661 1.00 0.00 H new ATOM 0 HG12 VAL A 160 0.548 5.982 -13.030 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -0.969 6.522 -12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -0.315 9.513 -12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -0.952 8.741 -10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 160 0.565 9.669 -10.877 1.00 0.00 H new ATOM 98 N PHE A 161 0.328 4.741 -10.954 1.00 0.00 N ATOM 99 CA PHE A 161 -0.537 3.579 -10.759 1.00 0.00 C ATOM 100 C PHE A 161 -0.238 2.907 -9.420 1.00 0.00 C ATOM 101 O PHE A 161 -1.116 2.316 -8.793 1.00 0.00 O ATOM 102 CB PHE A 161 -0.370 2.581 -11.915 1.00 0.00 C ATOM 103 CG PHE A 161 0.715 1.557 -11.702 1.00 0.00 C ATOM 104 CD1 PHE A 161 2.033 1.948 -11.529 1.00 0.00 C ATOM 105 CD2 PHE A 161 0.411 0.204 -11.676 1.00 0.00 C ATOM 106 CE1 PHE A 161 3.028 1.010 -11.334 1.00 0.00 C ATOM 107 CE2 PHE A 161 1.403 -0.738 -11.481 1.00 0.00 C ATOM 108 CZ PHE A 161 2.714 -0.335 -11.309 1.00 0.00 C ATOM 0 H PHE A 161 1.035 4.628 -11.680 1.00 0.00 H new ATOM 0 HA PHE A 161 -1.572 3.919 -10.748 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -1.316 2.063 -12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.156 3.135 -12.829 1.00 0.00 H new ATOM 0 HD1 PHE A 161 2.285 2.998 -11.547 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.612 -0.117 -11.810 1.00 0.00 H new ATOM 0 HE1 PHE A 161 4.051 1.328 -11.201 1.00 0.00 H new ATOM 0 HE2 PHE A 161 1.154 -1.789 -11.463 1.00 0.00 H new ATOM 0 HZ PHE A 161 3.491 -1.070 -11.155 1.00 0.00 H new ATOM 118 N PHE A 162 1.012 3.014 -8.994 1.00 0.00 N ATOM 119 CA PHE A 162 1.457 2.436 -7.734 1.00 0.00 C ATOM 120 C PHE A 162 0.896 3.208 -6.549 1.00 0.00 C ATOM 121 O PHE A 162 0.137 2.673 -5.739 1.00 0.00 O ATOM 122 CB PHE A 162 2.971 2.461 -7.686 1.00 0.00 C ATOM 123 CG PHE A 162 3.581 1.199 -7.148 1.00 0.00 C ATOM 124 CD1 PHE A 162 3.088 0.615 -5.993 1.00 0.00 C ATOM 125 CD2 PHE A 162 4.646 0.594 -7.798 1.00 0.00 C ATOM 126 CE1 PHE A 162 3.644 -0.547 -5.493 1.00 0.00 C ATOM 127 CE2 PHE A 162 5.207 -0.569 -7.303 1.00 0.00 C ATOM 128 CZ PHE A 162 4.705 -1.141 -6.150 1.00 0.00 C ATOM 0 H PHE A 162 1.744 3.502 -9.510 1.00 0.00 H new ATOM 0 HA PHE A 162 1.095 1.410 -7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 162 3.354 2.639 -8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 162 3.292 3.300 -7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 162 2.258 1.074 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 162 5.042 1.036 -8.701 1.00 0.00 H new ATOM 0 HE1 PHE A 162 3.250 -0.990 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 162 6.037 -1.030 -7.818 1.00 0.00 H new ATOM 0 HZ PHE A 162 5.141 -2.050 -5.763 1.00 0.00 H new ATOM 138 N LEU A 163 1.268 4.481 -6.469 1.00 0.00 N ATOM 139 CA LEU A 163 0.805 5.358 -5.404 1.00 0.00 C ATOM 140 C LEU A 163 -0.696 5.587 -5.529 1.00 0.00 C ATOM 141 O LEU A 163 -1.318 6.226 -4.681 1.00 0.00 O ATOM 142 CB LEU A 163 1.537 6.691 -5.488 1.00 0.00 C ATOM 143 CG LEU A 163 2.928 6.706 -4.849 1.00 0.00 C ATOM 144 CD1 LEU A 163 3.555 8.085 -4.967 1.00 0.00 C ATOM 145 CD2 LEU A 163 2.848 6.275 -3.392 1.00 0.00 C ATOM 0 H LEU A 163 1.895 4.930 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 163 1.011 4.890 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 163 1.633 6.971 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 163 0.925 7.455 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 163 3.561 5.997 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 163 4.543 8.076 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 163 3.647 8.354 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.925 8.816 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 163 3.845 6.291 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 163 2.199 6.959 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 163 2.442 5.265 -3.333 1.00 0.00 H new ATOM 157 N PHE A 164 -1.259 5.060 -6.606 1.00 0.00 N ATOM 158 CA PHE A 164 -2.671 5.188 -6.890 1.00 0.00 C ATOM 159 C PHE A 164 -3.483 4.223 -6.026 1.00 0.00 C ATOM 160 O PHE A 164 -4.516 4.594 -5.468 1.00 0.00 O ATOM 161 CB PHE A 164 -2.887 4.901 -8.379 1.00 0.00 C ATOM 162 CG PHE A 164 -4.189 4.221 -8.707 1.00 0.00 C ATOM 163 CD1 PHE A 164 -4.328 2.851 -8.556 1.00 0.00 C ATOM 164 CD2 PHE A 164 -5.271 4.954 -9.166 1.00 0.00 C ATOM 165 CE1 PHE A 164 -5.523 2.225 -8.857 1.00 0.00 C ATOM 166 CE2 PHE A 164 -6.468 4.334 -9.469 1.00 0.00 C ATOM 167 CZ PHE A 164 -6.595 2.967 -9.313 1.00 0.00 C ATOM 0 H PHE A 164 -0.742 4.530 -7.308 1.00 0.00 H new ATOM 0 HA PHE A 164 -3.010 6.197 -6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -2.836 5.842 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -2.067 4.278 -8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -3.493 2.266 -8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -5.178 6.023 -9.289 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -5.618 1.156 -8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -7.303 4.917 -9.827 1.00 0.00 H new ATOM 0 HZ PHE A 164 -7.530 2.480 -9.547 1.00 0.00 H new ATOM 177 N LEU A 165 -3.006 2.989 -5.915 1.00 0.00 N ATOM 178 CA LEU A 165 -3.687 1.979 -5.113 1.00 0.00 C ATOM 179 C LEU A 165 -3.677 2.362 -3.639 1.00 0.00 C ATOM 180 O LEU A 165 -4.675 2.202 -2.937 1.00 0.00 O ATOM 181 CB LEU A 165 -3.022 0.613 -5.290 1.00 0.00 C ATOM 182 CG LEU A 165 -3.987 -0.550 -5.526 1.00 0.00 C ATOM 183 CD1 LEU A 165 -4.813 -0.818 -4.278 1.00 0.00 C ATOM 184 CD2 LEU A 165 -4.892 -0.258 -6.714 1.00 0.00 C ATOM 0 H LEU A 165 -2.152 2.664 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 165 -4.720 1.921 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -2.331 0.668 -6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -2.427 0.397 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.403 -1.443 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -5.494 -1.648 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.150 -1.071 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.388 0.073 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -5.572 -1.096 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.468 0.646 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.285 -0.115 -7.608 1.00 0.00 H new ATOM 196 N LEU A 166 -2.536 2.860 -3.176 1.00 0.00 N ATOM 197 CA LEU A 166 -2.392 3.252 -1.782 1.00 0.00 C ATOM 198 C LEU A 166 -1.196 4.188 -1.593 1.00 0.00 C ATOM 199 O LEU A 166 -0.078 3.866 -1.994 1.00 0.00 O ATOM 200 CB LEU A 166 -2.232 2.004 -0.914 1.00 0.00 C ATOM 201 CG LEU A 166 -3.158 1.939 0.302 1.00 0.00 C ATOM 202 CD1 LEU A 166 -4.614 1.985 -0.134 1.00 0.00 C ATOM 203 CD2 LEU A 166 -2.882 0.684 1.117 1.00 0.00 C ATOM 0 H LEU A 166 -1.701 3.001 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 166 -3.289 3.792 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -2.408 1.124 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -1.200 1.950 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 166 -2.961 2.807 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -5.258 1.938 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -4.803 2.913 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -4.826 1.137 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -3.550 0.655 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -3.050 -0.197 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -1.848 0.693 1.461 1.00 0.00 H new ATOM 215 N PRO A 167 -1.419 5.371 -0.986 1.00 0.00 N ATOM 216 CA PRO A 167 -0.353 6.355 -0.759 1.00 0.00 C ATOM 217 C PRO A 167 0.751 5.894 0.201 1.00 0.00 C ATOM 218 O PRO A 167 1.874 6.392 0.118 1.00 0.00 O ATOM 219 CB PRO A 167 -1.088 7.570 -0.182 1.00 0.00 C ATOM 220 CG PRO A 167 -2.378 7.044 0.345 1.00 0.00 C ATOM 221 CD PRO A 167 -2.725 5.846 -0.496 1.00 0.00 C ATOM 0 HA PRO A 167 0.180 6.550 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 167 -0.505 8.042 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 167 -1.257 8.326 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 167 -2.284 6.767 1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -3.160 7.801 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -3.235 5.081 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -3.388 6.113 -1.319 1.00 0.00 H new ATOM 229 N PRO A 168 0.477 4.959 1.131 1.00 0.00 N ATOM 230 CA PRO A 168 1.477 4.494 2.074 1.00 0.00 C ATOM 231 C PRO A 168 2.198 3.238 1.594 1.00 0.00 C ATOM 232 O PRO A 168 1.673 2.129 1.677 1.00 0.00 O ATOM 233 CB PRO A 168 0.623 4.206 3.292 1.00 0.00 C ATOM 234 CG PRO A 168 -0.623 3.626 2.719 1.00 0.00 C ATOM 235 CD PRO A 168 -0.811 4.282 1.369 1.00 0.00 C ATOM 0 HA PRO A 168 2.283 5.209 2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 168 1.115 3.508 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 168 0.418 5.113 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -0.538 2.544 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -1.477 3.819 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -1.028 3.548 0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -1.640 4.989 1.379 1.00 0.00 H new ATOM 243 N ILE A 169 3.404 3.439 1.086 1.00 0.00 N ATOM 244 CA ILE A 169 4.233 2.354 0.571 1.00 0.00 C ATOM 245 C ILE A 169 4.797 1.493 1.690 1.00 0.00 C ATOM 246 O ILE A 169 4.835 0.266 1.602 1.00 0.00 O ATOM 247 CB ILE A 169 5.430 2.918 -0.220 1.00 0.00 C ATOM 248 CG1 ILE A 169 6.134 1.797 -0.987 1.00 0.00 C ATOM 249 CG2 ILE A 169 6.412 3.626 0.718 1.00 0.00 C ATOM 250 CD1 ILE A 169 7.295 2.277 -1.831 1.00 0.00 C ATOM 0 H ILE A 169 3.838 4.359 1.018 1.00 0.00 H new ATOM 0 HA ILE A 169 3.589 1.751 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 169 5.057 3.649 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 169 6.495 1.053 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 169 5.410 1.298 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.250 4.017 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 169 5.905 4.448 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 169 6.782 2.918 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 169 7.746 1.429 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 169 6.937 2.999 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.039 2.750 -1.190 1.00 0.00 H new ATOM 262 N ILE A 170 5.277 2.171 2.713 1.00 0.00 N ATOM 263 CA ILE A 170 5.910 1.530 3.852 1.00 0.00 C ATOM 264 C ILE A 170 4.908 0.745 4.695 1.00 0.00 C ATOM 265 O ILE A 170 5.253 -0.290 5.267 1.00 0.00 O ATOM 266 CB ILE A 170 6.672 2.540 4.746 1.00 0.00 C ATOM 267 CG1 ILE A 170 6.305 3.994 4.425 1.00 0.00 C ATOM 268 CG2 ILE A 170 8.174 2.339 4.612 1.00 0.00 C ATOM 269 CD1 ILE A 170 4.864 4.339 4.735 1.00 0.00 C ATOM 0 H ILE A 170 5.240 3.188 2.780 1.00 0.00 H new ATOM 0 HA ILE A 170 6.635 0.831 3.436 1.00 0.00 H new ATOM 0 HB ILE A 170 6.370 2.347 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 170 6.958 4.658 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 170 6.496 4.183 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 170 8.695 3.056 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 170 8.434 1.326 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 170 8.470 2.490 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 170 4.677 5.383 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 170 4.203 3.700 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 170 4.673 4.183 5.797 1.00 0.00 H new ATOM 281 N LEU A 171 3.663 1.208 4.750 1.00 0.00 N ATOM 282 CA LEU A 171 2.640 0.491 5.503 1.00 0.00 C ATOM 283 C LEU A 171 2.381 -0.841 4.818 1.00 0.00 C ATOM 284 O LEU A 171 2.540 -1.907 5.407 1.00 0.00 O ATOM 285 CB LEU A 171 1.345 1.301 5.579 1.00 0.00 C ATOM 286 CG LEU A 171 1.265 2.293 6.741 1.00 0.00 C ATOM 287 CD1 LEU A 171 0.508 3.545 6.325 1.00 0.00 C ATOM 288 CD2 LEU A 171 0.601 1.644 7.946 1.00 0.00 C ATOM 0 H LEU A 171 3.342 2.061 4.291 1.00 0.00 H new ATOM 0 HA LEU A 171 2.991 0.330 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.223 1.849 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 171 0.506 0.609 5.654 1.00 0.00 H new ATOM 0 HG LEU A 171 2.279 2.583 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 171 0.462 4.238 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.022 4.021 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -0.503 3.275 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 171 0.551 2.362 8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -0.407 1.327 7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.183 0.777 8.259 1.00 0.00 H new ATOM 300 N ASP A 172 2.018 -0.757 3.547 1.00 0.00 N ATOM 301 CA ASP A 172 1.770 -1.938 2.733 1.00 0.00 C ATOM 302 C ASP A 172 3.088 -2.615 2.352 1.00 0.00 C ATOM 303 O ASP A 172 3.090 -3.677 1.730 1.00 0.00 O ATOM 304 CB ASP A 172 0.993 -1.561 1.469 1.00 0.00 C ATOM 305 CG ASP A 172 -0.181 -0.648 1.761 1.00 0.00 C ATOM 306 OD1 ASP A 172 -1.118 -1.088 2.459 1.00 0.00 O ATOM 307 OD2 ASP A 172 -0.163 0.509 1.291 1.00 0.00 O ATOM 0 H ASP A 172 1.888 0.126 3.053 1.00 0.00 H new ATOM 0 HA ASP A 172 1.174 -2.637 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 172 1.665 -1.069 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 172 0.632 -2.468 0.984 1.00 0.00 H new ATOM 312 N ALA A 173 4.212 -1.997 2.731 1.00 0.00 N ATOM 313 CA ALA A 173 5.524 -2.552 2.424 1.00 0.00 C ATOM 314 C ALA A 173 5.802 -3.759 3.307 1.00 0.00 C ATOM 315 O ALA A 173 5.851 -4.896 2.837 1.00 0.00 O ATOM 316 CB ALA A 173 6.611 -1.509 2.627 1.00 0.00 C ATOM 0 H ALA A 173 4.234 -1.118 3.248 1.00 0.00 H new ATOM 0 HA ALA A 173 5.527 -2.861 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.582 -1.945 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.427 -0.659 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.605 -1.174 3.664 1.00 0.00 H new ATOM 322 N GLY A 174 5.970 -3.496 4.598 1.00 0.00 N ATOM 323 CA GLY A 174 6.226 -4.554 5.553 1.00 0.00 C ATOM 324 C GLY A 174 5.181 -4.597 6.654 1.00 0.00 C ATOM 325 O GLY A 174 5.231 -5.461 7.527 1.00 0.00 O ATOM 0 H GLY A 174 5.933 -2.560 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.245 -5.513 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.212 -4.411 5.995 1.00 0.00 H new ATOM 329 N TYR A 175 4.232 -3.657 6.609 1.00 0.00 N ATOM 330 CA TYR A 175 3.161 -3.574 7.602 1.00 0.00 C ATOM 331 C TYR A 175 3.693 -3.147 8.972 1.00 0.00 C ATOM 332 O TYR A 175 3.176 -2.209 9.579 1.00 0.00 O ATOM 333 CB TYR A 175 2.419 -4.914 7.711 1.00 0.00 C ATOM 334 CG TYR A 175 1.488 -5.007 8.901 1.00 0.00 C ATOM 335 CD1 TYR A 175 0.197 -4.498 8.840 1.00 0.00 C ATOM 336 CD2 TYR A 175 1.904 -5.601 10.086 1.00 0.00 C ATOM 337 CE1 TYR A 175 -0.654 -4.579 9.927 1.00 0.00 C ATOM 338 CE2 TYR A 175 1.060 -5.686 11.176 1.00 0.00 C ATOM 339 CZ TYR A 175 -0.217 -5.175 11.093 1.00 0.00 C ATOM 340 OH TYR A 175 -1.061 -5.256 12.178 1.00 0.00 O ATOM 0 H TYR A 175 4.186 -2.937 5.888 1.00 0.00 H new ATOM 0 HA TYR A 175 2.460 -2.810 7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 175 1.844 -5.074 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 175 3.151 -5.719 7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 175 -0.148 -4.031 7.929 1.00 0.00 H new ATOM 0 HD2 TYR A 175 2.904 -6.003 10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 175 -1.655 -4.178 9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 175 1.400 -6.151 12.090 1.00 0.00 H new ATOM 0 HH TYR A 175 -0.601 -5.705 12.918 1.00 0.00 H new ATOM 350 N PHE A 176 4.721 -3.837 9.461 1.00 0.00 N ATOM 351 CA PHE A 176 5.302 -3.517 10.760 1.00 0.00 C ATOM 352 C PHE A 176 6.478 -2.555 10.616 1.00 0.00 C ATOM 353 O PHE A 176 7.378 -2.532 11.454 1.00 0.00 O ATOM 354 CB PHE A 176 5.760 -4.797 11.463 1.00 0.00 C ATOM 355 CG PHE A 176 5.445 -4.818 12.932 1.00 0.00 C ATOM 356 CD1 PHE A 176 5.682 -3.704 13.720 1.00 0.00 C ATOM 357 CD2 PHE A 176 4.910 -5.952 13.522 1.00 0.00 C ATOM 358 CE1 PHE A 176 5.395 -3.721 15.072 1.00 0.00 C ATOM 359 CE2 PHE A 176 4.620 -5.974 14.873 1.00 0.00 C ATOM 360 CZ PHE A 176 4.862 -4.858 15.648 1.00 0.00 C ATOM 0 H PHE A 176 5.166 -4.618 8.979 1.00 0.00 H new ATOM 0 HA PHE A 176 4.534 -3.030 11.361 1.00 0.00 H new ATOM 0 HB2 PHE A 176 5.286 -5.654 10.985 1.00 0.00 H new ATOM 0 HB3 PHE A 176 6.836 -4.912 11.328 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.096 -2.812 13.273 1.00 0.00 H new ATOM 0 HD2 PHE A 176 4.718 -6.828 12.920 1.00 0.00 H new ATOM 0 HE1 PHE A 176 5.587 -2.847 15.677 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.204 -6.864 15.322 1.00 0.00 H new ATOM 0 HZ PHE A 176 4.635 -4.873 16.704 1.00 0.00 H new ATOM 370 N LEU A 177 6.462 -1.758 9.552 1.00 0.00 N ATOM 371 CA LEU A 177 7.525 -0.791 9.305 1.00 0.00 C ATOM 372 C LEU A 177 7.181 0.568 9.920 1.00 0.00 C ATOM 373 O LEU A 177 7.986 1.145 10.651 1.00 0.00 O ATOM 374 CB LEU A 177 7.774 -0.647 7.800 1.00 0.00 C ATOM 375 CG LEU A 177 8.829 -1.593 7.224 1.00 0.00 C ATOM 376 CD1 LEU A 177 9.058 -1.303 5.749 1.00 0.00 C ATOM 377 CD2 LEU A 177 10.132 -1.476 7.999 1.00 0.00 C ATOM 0 H LEU A 177 5.725 -1.763 8.847 1.00 0.00 H new ATOM 0 HA LEU A 177 8.436 -1.158 9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 177 6.834 -0.813 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 177 8.077 0.379 7.594 1.00 0.00 H new ATOM 0 HG LEU A 177 8.462 -2.615 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 177 9.812 -1.986 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 177 8.125 -1.439 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 177 9.402 -0.276 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 177 10.870 -2.156 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 177 10.503 -0.453 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 177 9.959 -1.735 9.044 1.00 0.00 H new ATOM 389 N PRO A 178 5.976 1.099 9.634 1.00 0.00 N ATOM 390 CA PRO A 178 5.534 2.397 10.166 1.00 0.00 C ATOM 391 C PRO A 178 5.589 2.461 11.691 1.00 0.00 C ATOM 392 O PRO A 178 5.588 3.546 12.272 1.00 0.00 O ATOM 393 CB PRO A 178 4.083 2.505 9.687 1.00 0.00 C ATOM 394 CG PRO A 178 4.007 1.617 8.497 1.00 0.00 C ATOM 395 CD PRO A 178 4.951 0.484 8.770 1.00 0.00 C ATOM 0 HA PRO A 178 6.177 3.208 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 178 3.386 2.187 10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 178 3.827 3.533 9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 178 2.991 1.252 8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 178 4.291 2.152 7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.450 -0.346 9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.383 0.090 7.850 1.00 0.00 H new ATOM 403 N LEU A 179 5.634 1.298 12.336 1.00 0.00 N ATOM 404 CA LEU A 179 5.684 1.234 13.794 1.00 0.00 C ATOM 405 C LEU A 179 7.040 1.690 14.334 1.00 0.00 C ATOM 406 O LEU A 179 7.229 1.793 15.547 1.00 0.00 O ATOM 407 CB LEU A 179 5.384 -0.189 14.272 1.00 0.00 C ATOM 408 CG LEU A 179 4.531 -0.283 15.539 1.00 0.00 C ATOM 409 CD1 LEU A 179 5.310 0.218 16.745 1.00 0.00 C ATOM 410 CD2 LEU A 179 3.240 0.504 15.370 1.00 0.00 C ATOM 0 H LEU A 179 5.637 0.389 11.873 1.00 0.00 H new ATOM 0 HA LEU A 179 4.924 1.914 14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 179 4.876 -0.725 13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 179 6.329 -0.702 14.450 1.00 0.00 H new ATOM 0 HG LEU A 179 4.276 -1.329 15.707 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.688 0.144 17.637 1.00 0.00 H new ATOM 0 HD12 LEU A 179 6.206 -0.388 16.877 1.00 0.00 H new ATOM 0 HD13 LEU A 179 5.595 1.258 16.587 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.645 0.427 16.280 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.475 1.551 15.178 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.674 0.099 14.531 1.00 0.00 H new ATOM 422 N ARG A 180 7.979 1.966 13.435 1.00 0.00 N ATOM 423 CA ARG A 180 9.307 2.415 13.828 1.00 0.00 C ATOM 424 C ARG A 180 9.872 3.358 12.774 1.00 0.00 C ATOM 425 O ARG A 180 10.939 3.115 12.207 1.00 0.00 O ATOM 426 CB ARG A 180 10.242 1.219 14.023 1.00 0.00 C ATOM 427 CG ARG A 180 10.154 0.190 12.906 1.00 0.00 C ATOM 428 CD ARG A 180 9.025 -0.800 13.143 1.00 0.00 C ATOM 429 NE ARG A 180 9.016 -1.306 14.512 1.00 0.00 N ATOM 430 CZ ARG A 180 9.919 -2.160 14.992 1.00 0.00 C ATOM 431 NH1 ARG A 180 10.897 -2.606 14.215 1.00 0.00 N ATOM 432 NH2 ARG A 180 9.841 -2.568 16.251 1.00 0.00 N ATOM 0 H ARG A 180 7.843 1.886 12.427 1.00 0.00 H new ATOM 0 HA ARG A 180 9.228 2.949 14.775 1.00 0.00 H new ATOM 0 HB2 ARG A 180 11.268 1.579 14.095 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.007 0.735 14.971 1.00 0.00 H new ATOM 0 HG2 ARG A 180 9.999 0.698 11.954 1.00 0.00 H new ATOM 0 HG3 ARG A 180 11.099 -0.347 12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.071 -0.319 12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.124 -1.635 12.449 1.00 0.00 H new ATOM 0 HE ARG A 180 8.276 -0.987 15.137 1.00 0.00 H new ATOM 0 HH11 ARG A 180 10.960 -2.295 13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 180 11.586 -3.260 14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.090 -2.228 16.852 1.00 0.00 H new ATOM 0 HH22 ARG A 180 10.532 -3.222 16.619 1.00 0.00 H new HETATM 446 N HSL A 181 9.096 4.473 12.518 1.00 0.00 N HETATM 447 CA HSL A 181 9.473 5.474 11.545 1.00 0.00 C HETATM 448 C HSL A 181 9.683 6.843 12.178 1.00 0.00 C HETATM 449 O HSL A 181 10.607 7.195 12.870 1.00 0.00 O HETATM 450 CB HSL A 181 8.409 5.733 10.494 1.00 0.00 C HETATM 451 CG HSL A 181 7.719 6.980 11.030 1.00 0.00 C HETATM 452 OD HSL A 181 8.655 7.639 11.844 1.00 0.00 O HETATM 0 HG3 HSL A 181 7.395 7.625 10.213 1.00 0.00 H new HETATM 0 HG2 HSL A 181 6.828 6.715 11.600 1.00 0.00 H new HETATM 0 HB3 HSL A 181 8.843 5.901 9.508 1.00 0.00 H new HETATM 0 HB2 HSL A 181 7.718 4.895 10.400 1.00 0.00 H new HETATM 0 HA HSL A 181 10.381 5.058 11.108 1.00 0.00 H new TER 459 HSL A 181