USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 0 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 20 MET CE :methyl 173:sc= 0 (180deg=-0.0053) USER MOD Single : A 24 THR OG1 : rot 73:sc= -23.4! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 0.489 (180deg=0.146) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 56 MET CE :methyl -179:sc= 0 (180deg=-0.000807) USER MOD Single : A 59 SER OG : rot -66:sc= 1.24 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 9 -3.954 -19.517 5.016 1.00 0.00 N ATOM 53 CA GLU A 9 -3.023 -18.453 5.346 1.00 0.00 C ATOM 54 C GLU A 9 -2.567 -17.733 4.076 1.00 0.00 C ATOM 55 O GLU A 9 -2.273 -16.539 4.105 1.00 0.00 O ATOM 56 CB GLU A 9 -1.826 -18.994 6.130 1.00 0.00 C ATOM 57 CG GLU A 9 -0.915 -19.831 5.230 1.00 0.00 C ATOM 58 CD GLU A 9 0.191 -20.505 6.045 1.00 0.00 C ATOM 59 OE1 GLU A 9 -0.065 -20.985 7.159 1.00 0.00 O ATOM 60 OE2 GLU A 9 1.343 -20.574 5.590 1.00 0.00 O ATOM 0 HA GLU A 9 -3.537 -17.733 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.261 -18.165 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.177 -19.602 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.504 -20.589 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.471 -19.195 4.464 1.00 0.00 H new ATOM 61 N TRP A 10 -2.522 -18.490 2.988 1.00 0.00 N ATOM 62 CA TRP A 10 -2.108 -17.939 1.709 1.00 0.00 C ATOM 63 C TRP A 10 -3.221 -17.017 1.207 1.00 0.00 C ATOM 64 O TRP A 10 -2.950 -15.997 0.576 1.00 0.00 O ATOM 65 CB TRP A 10 -1.762 -19.052 0.719 1.00 0.00 C ATOM 66 CG TRP A 10 -1.428 -18.553 -0.688 1.00 0.00 C ATOM 67 CD1 TRP A 10 -2.151 -18.694 -1.808 1.00 0.00 C ATOM 68 CD2 TRP A 10 -0.280 -17.832 -1.114 1.00 0.00 C ATOM 69 NE1 TRP A 10 -1.527 -18.110 -2.890 1.00 0.00 N ATOM 70 CE2 TRP A 10 -0.333 -17.562 -2.436 1.00 0.00 C ATOM 71 CE3 TRP A 10 0.822 -17.407 -0.345 1.00 0.00 C ATOM 72 CZ2 TRP A 10 0.652 -16.865 -3.147 1.00 0.00 C ATOM 73 CZ3 TRP A 10 1.807 -16.709 -1.055 1.00 0.00 C ATOM 74 CH2 TRP A 10 1.751 -16.433 -2.415 1.00 0.00 C ATOM 0 H TRP A 10 -2.766 -19.480 2.967 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.195 -17.353 1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.912 -19.616 1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.602 -19.744 0.658 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.103 -19.202 -1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.877 -18.085 -3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.901 -17.605 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.562 -16.674 -4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.670 -16.361 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.551 -15.890 -2.897 1.00 0.00 H new ATOM 75 N ILE A 11 -4.450 -17.410 1.508 1.00 0.00 N ATOM 76 CA ILE A 11 -5.607 -16.632 1.094 1.00 0.00 C ATOM 77 C ILE A 11 -5.666 -15.341 1.913 1.00 0.00 C ATOM 78 O ILE A 11 -6.020 -14.286 1.391 1.00 0.00 O ATOM 79 CB ILE A 11 -6.880 -17.476 1.185 1.00 0.00 C ATOM 80 CG1 ILE A 11 -6.741 -18.765 0.373 1.00 0.00 C ATOM 81 CG2 ILE A 11 -8.106 -16.663 0.766 1.00 0.00 C ATOM 82 CD1 ILE A 11 -6.401 -18.460 -1.087 1.00 0.00 C ATOM 0 H ILE A 11 -4.670 -18.256 2.033 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.518 -16.343 0.047 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.026 -17.766 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.962 -19.391 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.670 -19.332 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.998 -17.285 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.211 -15.799 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.984 -16.324 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.308 -19.394 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.194 -17.854 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.459 -17.914 -1.135 1.00 0.00 H new ATOM 83 N TRP A 12 -5.311 -15.467 3.185 1.00 0.00 N ATOM 84 CA TRP A 12 -5.319 -14.324 4.081 1.00 0.00 C ATOM 85 C TRP A 12 -4.244 -13.345 3.608 1.00 0.00 C ATOM 86 O TRP A 12 -4.428 -12.131 3.684 1.00 0.00 O ATOM 87 CB TRP A 12 -5.131 -14.765 5.533 1.00 0.00 C ATOM 88 CG TRP A 12 -5.163 -13.615 6.542 1.00 0.00 C ATOM 89 CD1 TRP A 12 -4.125 -12.957 7.075 1.00 0.00 C ATOM 90 CD2 TRP A 12 -6.298 -12.997 7.133 1.00 0.00 C ATOM 91 NE1 TRP A 12 -4.543 -11.976 7.951 1.00 0.00 N ATOM 92 CE2 TRP A 12 -5.933 -12.012 7.981 1.00 0.00 C ATOM 93 CE3 TRP A 12 -7.662 -13.295 6.931 1.00 0.00 C ATOM 94 CZ2 TRP A 12 -6.827 -11.219 8.712 1.00 0.00 C ATOM 95 CZ3 TRP A 12 -8.556 -12.503 7.662 1.00 0.00 C ATOM 96 CH2 TRP A 12 -8.179 -11.489 8.535 1.00 0.00 C ATOM 0 H TRP A 12 -5.016 -16.344 3.615 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.284 -13.819 4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.912 -15.481 5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.178 -15.287 5.623 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.090 -13.168 6.848 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.943 -11.342 8.479 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -7.992 -14.076 6.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.484 -10.440 9.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -9.612 -12.693 7.539 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.926 -10.919 9.068 1.00 0.00 H new ATOM 97 N LEU A 13 -3.144 -13.909 3.133 1.00 0.00 N ATOM 98 CA LEU A 13 -2.037 -13.101 2.647 1.00 0.00 C ATOM 99 C LEU A 13 -2.467 -12.366 1.376 1.00 0.00 C ATOM 100 O LEU A 13 -2.163 -11.187 1.203 1.00 0.00 O ATOM 101 CB LEU A 13 -0.785 -13.960 2.466 1.00 0.00 C ATOM 102 CG LEU A 13 0.466 -13.176 2.868 1.00 0.00 C ATOM 103 CD1 LEU A 13 1.700 -14.081 2.887 1.00 0.00 C ATOM 104 CD2 LEU A 13 0.663 -11.958 1.963 1.00 0.00 C ATOM 0 H LEU A 13 -2.995 -14.916 3.074 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.770 -12.341 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.866 -14.863 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.703 -14.279 1.427 1.00 0.00 H new ATOM 0 HG LEU A 13 0.324 -12.805 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.574 -13.498 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.549 -14.888 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.857 -14.503 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.559 -11.418 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.773 -12.287 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.203 -11.301 2.044 1.00 0.00 H new ATOM 105 N ALA A 14 -3.169 -13.093 0.519 1.00 0.00 N ATOM 106 CA ALA A 14 -3.644 -12.525 -0.731 1.00 0.00 C ATOM 107 C ALA A 14 -4.582 -11.356 -0.430 1.00 0.00 C ATOM 108 O ALA A 14 -4.517 -10.318 -1.089 1.00 0.00 O ATOM 109 CB ALA A 14 -4.320 -13.616 -1.564 1.00 0.00 C ATOM 0 H ALA A 14 -3.420 -14.071 0.666 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.811 -12.137 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.676 -13.190 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.603 -14.409 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.163 -14.028 -1.009 1.00 0.00 H new ATOM 110 N LEU A 15 -5.434 -11.562 0.563 1.00 0.00 N ATOM 111 CA LEU A 15 -6.385 -10.536 0.959 1.00 0.00 C ATOM 112 C LEU A 15 -5.628 -9.338 1.534 1.00 0.00 C ATOM 113 O LEU A 15 -6.010 -8.191 1.308 1.00 0.00 O ATOM 114 CB LEU A 15 -7.431 -11.118 1.912 1.00 0.00 C ATOM 115 CG LEU A 15 -8.375 -12.060 1.163 1.00 0.00 C ATOM 116 CD1 LEU A 15 -9.025 -13.060 2.121 1.00 0.00 C ATOM 117 CD2 LEU A 15 -9.413 -11.274 0.362 1.00 0.00 C ATOM 0 H LEU A 15 -5.486 -12.424 1.106 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.940 -10.175 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.936 -11.657 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.002 -10.311 2.371 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.787 -12.635 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.691 -13.718 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.251 -13.654 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.596 -12.521 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.071 -11.968 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.002 -10.655 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.907 -10.638 -0.364 1.00 0.00 H new ATOM 118 N GLY A 16 -4.567 -9.646 2.266 1.00 0.00 N ATOM 119 CA GLY A 16 -3.751 -8.608 2.875 1.00 0.00 C ATOM 120 C GLY A 16 -3.061 -7.757 1.808 1.00 0.00 C ATOM 121 O GLY A 16 -2.988 -6.536 1.936 1.00 0.00 O ATOM 0 H GLY A 16 -4.253 -10.599 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.374 -7.973 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.002 -9.063 3.523 1.00 0.00 H new ATOM 122 N THR A 17 -2.572 -8.435 0.780 1.00 0.00 N ATOM 123 CA THR A 17 -1.889 -7.754 -0.308 1.00 0.00 C ATOM 124 C THR A 17 -2.877 -6.899 -1.104 1.00 0.00 C ATOM 125 O THR A 17 -2.534 -5.806 -1.555 1.00 0.00 O ATOM 126 CB THR A 17 -1.182 -8.814 -1.156 1.00 0.00 C ATOM 127 OG1 THR A 17 -0.409 -9.553 -0.215 1.00 0.00 O ATOM 128 CG2 THR A 17 -0.141 -8.208 -2.100 1.00 0.00 C ATOM 0 H THR A 17 -2.635 -9.448 0.677 1.00 0.00 H new ATOM 0 HA THR A 17 -1.136 -7.061 0.067 1.00 0.00 H new ATOM 0 HB THR A 17 -1.921 -9.367 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.331 -9.002 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.628 -7.506 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.617 -7.683 -1.518 1.00 0.00 H new ATOM 129 N ALA A 18 -4.083 -7.426 -1.253 1.00 0.00 N ATOM 130 CA ALA A 18 -5.122 -6.725 -1.987 1.00 0.00 C ATOM 131 C ALA A 18 -5.526 -5.468 -1.212 1.00 0.00 C ATOM 132 O ALA A 18 -5.688 -4.399 -1.799 1.00 0.00 O ATOM 133 CB ALA A 18 -6.303 -7.667 -2.227 1.00 0.00 C ATOM 0 H ALA A 18 -4.364 -8.332 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.756 -6.408 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.082 -7.140 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.969 -8.529 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.700 -8.004 -1.269 1.00 0.00 H new ATOM 134 N LEU A 19 -5.679 -5.640 0.093 1.00 0.00 N ATOM 135 CA LEU A 19 -6.062 -4.532 0.953 1.00 0.00 C ATOM 136 C LEU A 19 -4.983 -3.449 0.894 1.00 0.00 C ATOM 137 O LEU A 19 -5.293 -2.264 0.790 1.00 0.00 O ATOM 138 CB LEU A 19 -6.354 -5.032 2.369 1.00 0.00 C ATOM 139 CG LEU A 19 -6.923 -3.901 3.229 1.00 0.00 C ATOM 140 CD1 LEU A 19 -8.423 -3.726 2.984 1.00 0.00 C ATOM 141 CD2 LEU A 19 -6.606 -4.126 4.709 1.00 0.00 C ATOM 0 H LEU A 19 -5.545 -6.529 0.576 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.988 -4.078 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.063 -5.859 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.440 -5.416 2.821 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.439 -2.970 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.801 -2.916 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.595 -3.487 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.943 -4.651 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.021 -3.309 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.045 -5.069 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.526 -4.161 4.848 1.00 0.00 H new ATOM 142 N MET A 20 -3.736 -3.896 0.964 1.00 0.00 N ATOM 143 CA MET A 20 -2.610 -2.980 0.919 1.00 0.00 C ATOM 144 C MET A 20 -2.556 -2.242 -0.419 1.00 0.00 C ATOM 145 O MET A 20 -2.263 -1.047 -0.463 1.00 0.00 O ATOM 146 CB MET A 20 -1.310 -3.759 1.126 1.00 0.00 C ATOM 147 CG MET A 20 -0.112 -2.811 1.219 1.00 0.00 C ATOM 148 SD MET A 20 1.380 -3.741 1.522 1.00 0.00 S ATOM 149 CE MET A 20 1.327 -3.841 3.304 1.00 0.00 C ATOM 0 H MET A 20 -3.482 -4.880 1.051 1.00 0.00 H new ATOM 0 HA MET A 20 -2.733 -2.244 1.713 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.379 -4.354 2.037 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.164 -4.456 0.301 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.015 -2.243 0.294 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.270 -2.090 2.021 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.123 -4.498 3.655 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.464 -2.846 3.728 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.362 -4.240 3.618 1.00 0.00 H new ATOM 150 N GLY A 21 -2.844 -2.982 -1.479 1.00 0.00 N ATOM 151 CA GLY A 21 -2.832 -2.412 -2.816 1.00 0.00 C ATOM 152 C GLY A 21 -3.873 -1.299 -2.947 1.00 0.00 C ATOM 153 O GLY A 21 -3.564 -0.208 -3.424 1.00 0.00 O ATOM 0 H GLY A 21 -3.087 -3.972 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.841 -2.016 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.034 -3.192 -3.550 1.00 0.00 H new ATOM 154 N LEU A 22 -5.086 -1.613 -2.516 1.00 0.00 N ATOM 155 CA LEU A 22 -6.174 -0.652 -2.579 1.00 0.00 C ATOM 156 C LEU A 22 -5.853 0.537 -1.670 1.00 0.00 C ATOM 157 O LEU A 22 -6.202 1.673 -1.984 1.00 0.00 O ATOM 158 CB LEU A 22 -7.506 -1.330 -2.255 1.00 0.00 C ATOM 159 CG LEU A 22 -8.210 -1.769 -3.540 1.00 0.00 C ATOM 160 CD1 LEU A 22 -7.436 -2.892 -4.234 1.00 0.00 C ATOM 161 CD2 LEU A 22 -9.664 -2.162 -3.262 1.00 0.00 C ATOM 0 H LEU A 22 -5.339 -2.519 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.278 -0.261 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.334 -2.195 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.145 -0.643 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.230 -0.921 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.958 -3.185 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.435 -2.542 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.362 -3.750 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.142 -2.470 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.688 -2.988 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.198 -1.308 -2.845 1.00 0.00 H new ATOM 162 N GLY A 23 -5.191 0.233 -0.564 1.00 0.00 N ATOM 163 CA GLY A 23 -4.819 1.263 0.392 1.00 0.00 C ATOM 164 C GLY A 23 -3.805 2.235 -0.217 1.00 0.00 C ATOM 165 O GLY A 23 -3.877 3.439 0.021 1.00 0.00 O ATOM 0 H GLY A 23 -4.902 -0.711 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.708 1.809 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.395 0.801 1.284 1.00 0.00 H new ATOM 166 N THR A 24 -2.886 1.675 -0.989 1.00 0.00 N ATOM 167 CA THR A 24 -1.859 2.478 -1.633 1.00 0.00 C ATOM 168 C THR A 24 -2.475 3.351 -2.729 1.00 0.00 C ATOM 169 O THR A 24 -2.120 4.521 -2.866 1.00 0.00 O ATOM 170 CB THR A 24 -0.776 1.531 -2.150 1.00 0.00 C ATOM 171 OG1 THR A 24 -0.336 0.837 -0.986 1.00 0.00 O ATOM 172 CG2 THR A 24 0.471 2.277 -2.632 1.00 0.00 C ATOM 0 H THR A 24 -2.830 0.675 -1.184 1.00 0.00 H new ATOM 0 HA THR A 24 -1.398 3.171 -0.929 1.00 0.00 H new ATOM 0 HB THR A 24 -1.179 0.930 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.020 0.191 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.209 1.559 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.200 2.952 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.893 2.851 -1.807 1.00 0.00 H new ATOM 173 N LEU A 25 -3.390 2.752 -3.476 1.00 0.00 N ATOM 174 CA LEU A 25 -4.057 3.461 -4.554 1.00 0.00 C ATOM 175 C LEU A 25 -4.865 4.620 -3.971 1.00 0.00 C ATOM 176 O LEU A 25 -4.810 5.739 -4.482 1.00 0.00 O ATOM 177 CB LEU A 25 -4.892 2.493 -5.395 1.00 0.00 C ATOM 178 CG LEU A 25 -3.984 1.578 -6.218 1.00 0.00 C ATOM 179 CD1 LEU A 25 -4.678 0.250 -6.528 1.00 0.00 C ATOM 180 CD2 LEU A 25 -3.501 2.282 -7.489 1.00 0.00 C ATOM 0 H LEU A 25 -3.685 1.783 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.325 3.892 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.529 1.894 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.551 3.053 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.101 1.349 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.010 -0.381 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.930 -0.255 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.589 0.439 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.857 1.609 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.360 2.561 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.941 3.177 -7.219 1.00 0.00 H new ATOM 181 N TYR A 26 -5.599 4.317 -2.910 1.00 0.00 N ATOM 182 CA TYR A 26 -6.416 5.321 -2.252 1.00 0.00 C ATOM 183 C TYR A 26 -5.555 6.468 -1.722 1.00 0.00 C ATOM 184 O TYR A 26 -5.910 7.636 -1.875 1.00 0.00 O ATOM 185 CB TYR A 26 -7.083 4.613 -1.070 1.00 0.00 C ATOM 186 CG TYR A 26 -7.962 5.526 -0.214 1.00 0.00 C ATOM 187 CD1 TYR A 26 -8.806 6.509 -0.843 1.00 0.00 C ATOM 188 CD2 TYR A 26 -7.946 5.410 1.141 1.00 0.00 C ATOM 189 CE1 TYR A 26 -9.587 7.322 -0.081 1.00 0.00 C ATOM 190 CE2 TYR A 26 -8.775 6.270 1.948 1.00 0.00 C ATOM 191 CZ TYR A 26 -9.572 7.197 1.353 1.00 0.00 C ATOM 192 OH TYR A 26 -10.354 8.010 2.115 1.00 0.00 O ATOM 0 H TYR A 26 -5.644 3.389 -2.490 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.139 5.744 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.691 3.791 -1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.310 4.174 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.819 6.601 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.312 4.674 1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.218 8.061 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.763 6.178 3.024 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.225 7.794 3.062 1.00 0.00 H new ATOM 193 N PHE A 27 -4.440 6.098 -1.112 1.00 0.00 N ATOM 194 CA PHE A 27 -3.525 7.082 -0.559 1.00 0.00 C ATOM 195 C PHE A 27 -2.915 7.946 -1.665 1.00 0.00 C ATOM 196 O PHE A 27 -2.642 9.127 -1.456 1.00 0.00 O ATOM 197 CB PHE A 27 -2.405 6.310 0.141 1.00 0.00 C ATOM 198 CG PHE A 27 -1.345 7.201 0.788 1.00 0.00 C ATOM 199 CD1 PHE A 27 -1.604 7.822 2.039 1.00 0.00 C ATOM 200 CD2 PHE A 27 -0.151 7.399 0.166 1.00 0.00 C ATOM 201 CE1 PHE A 27 -0.661 8.615 2.613 1.00 0.00 C ATOM 202 CE2 PHE A 27 0.834 8.227 0.766 1.00 0.00 C ATOM 203 CZ PHE A 27 0.585 8.821 1.964 1.00 0.00 C ATOM 0 H PHE A 27 -4.148 5.128 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.058 7.739 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.843 5.670 0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.921 5.655 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.551 7.664 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.047 6.926 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.860 9.089 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.781 8.385 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.335 9.449 2.422 1.00 0.00 H new ATOM 204 N LEU A 28 -2.722 7.324 -2.819 1.00 0.00 N ATOM 205 CA LEU A 28 -2.151 8.022 -3.960 1.00 0.00 C ATOM 206 C LEU A 28 -3.143 9.076 -4.456 1.00 0.00 C ATOM 207 O LEU A 28 -2.745 10.178 -4.833 1.00 0.00 O ATOM 208 CB LEU A 28 -1.724 7.025 -5.038 1.00 0.00 C ATOM 209 CG LEU A 28 -0.865 7.718 -6.098 1.00 0.00 C ATOM 210 CD1 LEU A 28 0.603 7.763 -5.671 1.00 0.00 C ATOM 211 CD2 LEU A 28 -1.045 7.058 -7.467 1.00 0.00 C ATOM 0 H LEU A 28 -2.951 6.345 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.243 8.550 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.163 6.208 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.605 6.586 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.204 8.750 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.191 8.261 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.693 8.313 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.973 6.747 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.424 7.570 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.749 6.011 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.091 7.123 -7.768 1.00 0.00 H new ATOM 212 N VAL A 29 -4.414 8.703 -4.438 1.00 0.00 N ATOM 213 CA VAL A 29 -5.465 9.603 -4.881 1.00 0.00 C ATOM 214 C VAL A 29 -5.501 10.828 -3.964 1.00 0.00 C ATOM 215 O VAL A 29 -5.689 11.951 -4.430 1.00 0.00 O ATOM 216 CB VAL A 29 -6.801 8.860 -4.939 1.00 0.00 C ATOM 217 CG1 VAL A 29 -7.970 9.841 -5.021 1.00 0.00 C ATOM 218 CG2 VAL A 29 -6.828 7.873 -6.107 1.00 0.00 C ATOM 0 H VAL A 29 -4.740 7.789 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.263 9.959 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.908 8.289 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.908 9.287 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.967 10.485 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.871 10.451 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.788 7.358 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.688 8.413 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.027 7.143 -5.985 1.00 0.00 H new ATOM 219 N LYS A 30 -5.319 10.570 -2.679 1.00 0.00 N ATOM 220 CA LYS A 30 -5.329 11.636 -1.691 1.00 0.00 C ATOM 221 C LYS A 30 -4.157 12.584 -1.960 1.00 0.00 C ATOM 222 O LYS A 30 -4.318 13.802 -1.920 1.00 0.00 O ATOM 223 CB LYS A 30 -5.338 11.059 -0.276 1.00 0.00 C ATOM 224 CG LYS A 30 -6.663 10.351 0.019 1.00 0.00 C ATOM 225 CD LYS A 30 -7.026 10.461 1.501 1.00 0.00 C ATOM 226 CE LYS A 30 -5.995 9.740 2.372 1.00 0.00 C ATOM 227 NZ LYS A 30 -6.248 8.282 2.375 1.00 0.00 N ATOM 0 H LYS A 30 -5.163 9.637 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.244 12.223 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.513 10.357 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.180 11.859 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.456 10.789 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.589 9.301 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.080 11.511 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.014 10.032 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.991 9.940 1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.038 10.125 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.031 7.894 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.247 8.103 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.644 7.823 1.663 1.00 0.00 H new ATOM 228 N GLY A 31 -3.004 11.988 -2.229 1.00 0.00 N ATOM 229 CA GLY A 31 -1.807 12.763 -2.503 1.00 0.00 C ATOM 230 C GLY A 31 -1.989 13.631 -3.749 1.00 0.00 C ATOM 231 O GLY A 31 -1.581 14.792 -3.766 1.00 0.00 O ATOM 0 H GLY A 31 -2.874 10.977 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.575 13.395 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.959 12.092 -2.643 1.00 0.00 H new ATOM 232 N MET A 32 -2.605 13.037 -4.761 1.00 0.00 N ATOM 233 CA MET A 32 -2.846 13.742 -6.007 1.00 0.00 C ATOM 234 C MET A 32 -3.993 14.744 -5.858 1.00 0.00 C ATOM 235 O MET A 32 -4.080 15.710 -6.612 1.00 0.00 O ATOM 236 CB MET A 32 -3.188 12.734 -7.106 1.00 0.00 C ATOM 237 CG MET A 32 -1.955 11.922 -7.510 1.00 0.00 C ATOM 238 SD MET A 32 -2.444 10.526 -8.510 1.00 0.00 S ATOM 239 CE MET A 32 -2.611 11.326 -10.097 1.00 0.00 C ATOM 0 H MET A 32 -2.944 12.075 -4.743 1.00 0.00 H new ATOM 0 HA MET A 32 -1.942 14.290 -6.273 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.972 12.062 -6.757 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.583 13.259 -7.976 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.260 12.552 -8.065 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.430 11.576 -6.620 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.914 10.592 -10.844 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.365 12.110 -10.032 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.656 11.765 -10.386 1.00 0.00 H new ATOM 312 N ALA A 44 5.265 11.383 0.228 1.00 0.00 N ATOM 313 CA ALA A 44 5.473 10.402 -0.824 1.00 0.00 C ATOM 314 C ALA A 44 5.734 9.032 -0.194 1.00 0.00 C ATOM 315 O ALA A 44 5.179 8.026 -0.636 1.00 0.00 O ATOM 316 CB ALA A 44 6.622 10.856 -1.726 1.00 0.00 C ATOM 0 HA ALA A 44 4.583 10.315 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.778 10.120 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.376 11.820 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.533 10.952 -1.135 1.00 0.00 H new ATOM 317 N ILE A 45 6.576 9.036 0.828 1.00 0.00 N ATOM 318 CA ILE A 45 6.916 7.807 1.524 1.00 0.00 C ATOM 319 C ILE A 45 5.655 7.221 2.161 1.00 0.00 C ATOM 320 O ILE A 45 5.446 6.009 2.131 1.00 0.00 O ATOM 321 CB ILE A 45 8.051 8.052 2.520 1.00 0.00 C ATOM 322 CG1 ILE A 45 9.366 8.340 1.794 1.00 0.00 C ATOM 323 CG2 ILE A 45 8.181 6.884 3.500 1.00 0.00 C ATOM 324 CD1 ILE A 45 10.055 7.042 1.368 1.00 0.00 C ATOM 0 H ILE A 45 7.034 9.872 1.191 1.00 0.00 H new ATOM 0 HA ILE A 45 7.294 7.064 0.822 1.00 0.00 H new ATOM 0 HB ILE A 45 7.806 8.938 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.173 8.958 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.028 8.910 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.995 7.083 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.249 6.768 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.392 5.968 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.987 7.277 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.269 6.437 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.401 6.486 0.696 1.00 0.00 H new ATOM 325 N THR A 46 4.847 8.109 2.723 1.00 0.00 N ATOM 326 CA THR A 46 3.613 7.694 3.366 1.00 0.00 C ATOM 327 C THR A 46 2.629 7.148 2.331 1.00 0.00 C ATOM 328 O THR A 46 1.759 6.342 2.659 1.00 0.00 O ATOM 329 CB THR A 46 3.066 8.887 4.153 1.00 0.00 C ATOM 330 OG1 THR A 46 4.087 9.171 5.107 1.00 0.00 O ATOM 331 CG2 THR A 46 1.850 8.519 5.007 1.00 0.00 C ATOM 0 H THR A 46 5.024 9.113 2.746 1.00 0.00 H new ATOM 0 HA THR A 46 3.788 6.876 4.065 1.00 0.00 H new ATOM 0 HB THR A 46 2.795 9.684 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.816 9.934 5.659 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.502 9.401 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.052 8.148 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.129 7.745 5.722 1.00 0.00 H new ATOM 332 N THR A 47 2.799 7.608 1.099 1.00 0.00 N ATOM 333 CA THR A 47 1.936 7.174 0.013 1.00 0.00 C ATOM 334 C THR A 47 2.493 5.907 -0.637 1.00 0.00 C ATOM 335 O THR A 47 1.796 5.235 -1.396 1.00 0.00 O ATOM 336 CB THR A 47 1.785 8.342 -0.964 1.00 0.00 C ATOM 337 OG1 THR A 47 1.262 9.399 -0.164 1.00 0.00 O ATOM 338 CG2 THR A 47 0.695 8.093 -2.009 1.00 0.00 C ATOM 0 H THR A 47 3.521 8.276 0.829 1.00 0.00 H new ATOM 0 HA THR A 47 0.945 6.905 0.378 1.00 0.00 H new ATOM 0 HB THR A 47 2.736 8.521 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.629 8.952 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.941 7.202 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.262 7.948 -1.509 1.00 0.00 H new ATOM 339 N LEU A 48 3.746 5.617 -0.317 1.00 0.00 N ATOM 340 CA LEU A 48 4.405 4.441 -0.860 1.00 0.00 C ATOM 341 C LEU A 48 4.449 3.347 0.208 1.00 0.00 C ATOM 342 O LEU A 48 4.987 2.267 -0.028 1.00 0.00 O ATOM 343 CB LEU A 48 5.780 4.809 -1.421 1.00 0.00 C ATOM 344 CG LEU A 48 5.722 4.935 -2.944 1.00 0.00 C ATOM 345 CD1 LEU A 48 4.928 6.173 -3.362 1.00 0.00 C ATOM 346 CD2 LEU A 48 7.128 4.923 -3.549 1.00 0.00 C ATOM 0 H LEU A 48 4.322 6.176 0.312 1.00 0.00 H new ATOM 0 HA LEU A 48 3.839 4.042 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.117 5.749 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.509 4.049 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 48 5.194 4.067 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.902 6.239 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.910 6.099 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.405 7.065 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.058 5.014 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.703 5.759 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.626 3.987 -3.295 1.00 0.00 H new ATOM 347 N VAL A 49 3.876 3.665 1.358 1.00 0.00 N ATOM 348 CA VAL A 49 3.844 2.723 2.464 1.00 0.00 C ATOM 349 C VAL A 49 3.078 1.468 2.038 1.00 0.00 C ATOM 350 O VAL A 49 3.552 0.351 2.229 1.00 0.00 O ATOM 351 CB VAL A 49 3.251 3.392 3.707 1.00 0.00 C ATOM 352 CG1 VAL A 49 2.361 2.418 4.482 1.00 0.00 C ATOM 353 CG2 VAL A 49 4.353 3.961 4.601 1.00 0.00 C ATOM 0 H VAL A 49 3.430 4.562 1.549 1.00 0.00 H new ATOM 0 HA VAL A 49 4.855 2.413 2.730 1.00 0.00 H new ATOM 0 HB VAL A 49 2.627 4.223 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.953 2.918 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.544 2.084 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.951 1.557 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.905 4.431 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.015 3.156 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.926 4.703 4.045 1.00 0.00 H new ATOM 354 N PRO A 50 1.873 1.704 1.452 1.00 0.00 N ATOM 355 CA PRO A 50 1.036 0.607 0.995 1.00 0.00 C ATOM 356 C PRO A 50 1.585 -0.001 -0.295 1.00 0.00 C ATOM 357 O PRO A 50 1.264 -1.139 -0.636 1.00 0.00 O ATOM 358 CB PRO A 50 -0.348 1.213 0.825 1.00 0.00 C ATOM 359 CG PRO A 50 -0.138 2.716 0.742 1.00 0.00 C ATOM 360 CD PRO A 50 1.279 3.016 1.208 1.00 0.00 C ATOM 0 HA PRO A 50 1.009 -0.224 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.831 0.836 -0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.993 0.955 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.286 3.066 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.864 3.238 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.836 3.569 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.278 3.625 2.112 1.00 0.00 H new ATOM 361 N ALA A 51 2.403 0.784 -0.982 1.00 0.00 N ATOM 362 CA ALA A 51 2.998 0.336 -2.228 1.00 0.00 C ATOM 363 C ALA A 51 4.060 -0.724 -1.930 1.00 0.00 C ATOM 364 O ALA A 51 4.122 -1.751 -2.604 1.00 0.00 O ATOM 365 CB ALA A 51 3.574 1.539 -2.979 1.00 0.00 C ATOM 0 H ALA A 51 2.667 1.728 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 51 2.245 -0.122 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.021 1.204 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.776 2.251 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.335 2.021 -2.365 1.00 0.00 H new ATOM 366 N ILE A 52 4.866 -0.441 -0.918 1.00 0.00 N ATOM 367 CA ILE A 52 5.921 -1.358 -0.522 1.00 0.00 C ATOM 368 C ILE A 52 5.302 -2.568 0.180 1.00 0.00 C ATOM 369 O ILE A 52 5.780 -3.692 0.029 1.00 0.00 O ATOM 370 CB ILE A 52 6.974 -0.633 0.318 1.00 0.00 C ATOM 371 CG1 ILE A 52 8.117 -0.119 -0.559 1.00 0.00 C ATOM 372 CG2 ILE A 52 7.480 -1.526 1.454 1.00 0.00 C ATOM 373 CD1 ILE A 52 7.625 0.962 -1.524 1.00 0.00 C ATOM 0 H ILE A 52 4.810 0.411 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 52 6.449 -1.733 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 52 6.504 0.237 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.910 0.284 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.548 -0.946 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.228 -0.986 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.646 -1.800 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.927 -2.428 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.457 1.310 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.849 0.549 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.217 1.798 -0.956 1.00 0.00 H new ATOM 374 N ALA A 53 4.246 -2.298 0.934 1.00 0.00 N ATOM 375 CA ALA A 53 3.556 -3.350 1.661 1.00 0.00 C ATOM 376 C ALA A 53 2.948 -4.338 0.663 1.00 0.00 C ATOM 377 O ALA A 53 3.039 -5.550 0.851 1.00 0.00 O ATOM 378 CB ALA A 53 2.502 -2.731 2.581 1.00 0.00 C ATOM 0 H ALA A 53 3.852 -1.365 1.057 1.00 0.00 H new ATOM 0 HA ALA A 53 4.254 -3.902 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.985 -3.521 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.987 -2.059 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.782 -2.171 1.984 1.00 0.00 H new ATOM 379 N PHE A 54 2.342 -3.783 -0.377 1.00 0.00 N ATOM 380 CA PHE A 54 1.719 -4.600 -1.404 1.00 0.00 C ATOM 381 C PHE A 54 2.770 -5.389 -2.188 1.00 0.00 C ATOM 382 O PHE A 54 2.571 -6.565 -2.490 1.00 0.00 O ATOM 383 CB PHE A 54 0.998 -3.646 -2.358 1.00 0.00 C ATOM 384 CG PHE A 54 0.437 -4.323 -3.611 1.00 0.00 C ATOM 385 CD1 PHE A 54 -0.743 -4.995 -3.550 1.00 0.00 C ATOM 386 CD2 PHE A 54 1.153 -4.253 -4.836 1.00 0.00 C ATOM 387 CE1 PHE A 54 -1.263 -5.624 -4.712 1.00 0.00 C ATOM 388 CE2 PHE A 54 0.654 -4.855 -5.949 1.00 0.00 C ATOM 389 CZ PHE A 54 -0.580 -5.556 -5.885 1.00 0.00 C ATOM 0 H PHE A 54 2.269 -2.777 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 54 1.033 -5.314 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.181 -3.162 -1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.690 -2.860 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.285 -5.051 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.092 -3.722 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.201 -6.156 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.196 -4.800 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.975 -6.035 -6.769 1.00 0.00 H new ATOM 390 N THR A 55 3.865 -4.710 -2.496 1.00 0.00 N ATOM 391 CA THR A 55 4.947 -5.333 -3.239 1.00 0.00 C ATOM 392 C THR A 55 5.534 -6.504 -2.448 1.00 0.00 C ATOM 393 O THR A 55 5.834 -7.553 -3.015 1.00 0.00 O ATOM 394 CB THR A 55 5.976 -4.250 -3.574 1.00 0.00 C ATOM 395 OG1 THR A 55 5.258 -3.335 -4.398 1.00 0.00 O ATOM 396 CG2 THR A 55 7.096 -4.767 -4.477 1.00 0.00 C ATOM 0 H THR A 55 4.026 -3.735 -2.245 1.00 0.00 H new ATOM 0 HA THR A 55 4.588 -5.762 -4.175 1.00 0.00 H new ATOM 0 HB THR A 55 6.406 -3.858 -2.652 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.973 -2.566 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.798 -3.960 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.618 -5.583 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.671 -5.127 -5.414 1.00 0.00 H new ATOM 397 N MET A 56 5.680 -6.284 -1.149 1.00 0.00 N ATOM 398 CA MET A 56 6.225 -7.307 -0.274 1.00 0.00 C ATOM 399 C MET A 56 5.294 -8.519 -0.199 1.00 0.00 C ATOM 400 O MET A 56 5.737 -9.657 -0.336 1.00 0.00 O ATOM 401 CB MET A 56 6.424 -6.728 1.128 1.00 0.00 C ATOM 402 CG MET A 56 7.138 -7.728 2.039 1.00 0.00 C ATOM 403 SD MET A 56 7.412 -7.003 3.647 1.00 0.00 S ATOM 404 CE MET A 56 8.931 -6.120 3.333 1.00 0.00 C ATOM 0 H MET A 56 5.430 -5.412 -0.682 1.00 0.00 H new ATOM 0 HA MET A 56 7.182 -7.633 -0.681 1.00 0.00 H new ATOM 0 HB2 MET A 56 7.005 -5.808 1.066 1.00 0.00 H new ATOM 0 HB3 MET A 56 5.457 -6.466 1.557 1.00 0.00 H new ATOM 0 HG2 MET A 56 6.540 -8.634 2.137 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.090 -8.020 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 56 9.257 -5.620 4.245 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.700 -6.822 3.010 1.00 0.00 H new ATOM 0 HE3 MET A 56 8.766 -5.378 2.552 1.00 0.00 H new ATOM 405 N TYR A 57 4.019 -8.231 0.017 1.00 0.00 N ATOM 406 CA TYR A 57 3.020 -9.282 0.111 1.00 0.00 C ATOM 407 C TYR A 57 2.892 -10.036 -1.212 1.00 0.00 C ATOM 408 O TYR A 57 2.620 -11.237 -1.224 1.00 0.00 O ATOM 409 CB TYR A 57 1.696 -8.579 0.415 1.00 0.00 C ATOM 410 CG TYR A 57 0.488 -9.520 0.462 1.00 0.00 C ATOM 411 CD1 TYR A 57 0.215 -10.219 1.596 1.00 0.00 C ATOM 412 CD2 TYR A 57 -0.357 -9.665 -0.695 1.00 0.00 C ATOM 413 CE1 TYR A 57 -0.920 -11.103 1.641 1.00 0.00 C ATOM 414 CE2 TYR A 57 -1.428 -10.500 -0.653 1.00 0.00 C ATOM 415 CZ TYR A 57 -1.719 -11.240 0.548 1.00 0.00 C ATOM 416 OH TYR A 57 -2.791 -12.076 0.590 1.00 0.00 O ATOM 0 H TYR A 57 3.655 -7.285 0.130 1.00 0.00 H new ATOM 0 HA TYR A 57 3.295 -10.005 0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.781 -8.065 1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.520 -7.815 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.850 -10.111 2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.140 -9.110 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.137 -11.657 2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.062 -10.609 -1.521 1.00 0.00 H new ATOM 417 N LEU A 58 3.092 -9.302 -2.297 1.00 0.00 N ATOM 418 CA LEU A 58 3.002 -9.888 -3.625 1.00 0.00 C ATOM 419 C LEU A 58 4.162 -10.864 -3.827 1.00 0.00 C ATOM 420 O LEU A 58 3.975 -11.953 -4.366 1.00 0.00 O ATOM 421 CB LEU A 58 2.928 -8.792 -4.689 1.00 0.00 C ATOM 422 CG LEU A 58 2.723 -9.405 -6.076 1.00 0.00 C ATOM 423 CD1 LEU A 58 1.623 -8.671 -6.843 1.00 0.00 C ATOM 424 CD2 LEU A 58 4.039 -9.445 -6.857 1.00 0.00 C ATOM 0 H LEU A 58 3.316 -8.307 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 58 2.081 -10.462 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.108 -8.111 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.845 -8.203 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 58 2.392 -10.436 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.498 -9.127 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.686 -8.739 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.899 -7.623 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.866 -9.885 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.423 -8.432 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.767 -10.047 -6.313 1.00 0.00 H new ATOM 425 N SER A 59 5.336 -10.438 -3.383 1.00 0.00 N ATOM 426 CA SER A 59 6.527 -11.262 -3.509 1.00 0.00 C ATOM 427 C SER A 59 6.379 -12.529 -2.664 1.00 0.00 C ATOM 428 O SER A 59 6.861 -13.593 -3.046 1.00 0.00 O ATOM 429 CB SER A 59 7.778 -10.488 -3.088 1.00 0.00 C ATOM 430 OG SER A 59 7.924 -10.437 -1.672 1.00 0.00 O ATOM 0 H SER A 59 5.488 -9.534 -2.936 1.00 0.00 H new ATOM 0 HA SER A 59 6.640 -11.542 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.659 -10.957 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.727 -9.474 -3.484 1.00 0.00 H new ATOM 0 HG SER A 59 7.192 -9.911 -1.286 1.00 0.00 H new ATOM 431 N MET A 60 5.709 -12.371 -1.531 1.00 0.00 N ATOM 432 CA MET A 60 5.492 -13.490 -0.630 1.00 0.00 C ATOM 433 C MET A 60 4.531 -14.511 -1.244 1.00 0.00 C ATOM 434 O MET A 60 4.830 -15.703 -1.284 1.00 0.00 O ATOM 435 CB MET A 60 4.914 -12.976 0.690 1.00 0.00 C ATOM 436 CG MET A 60 6.002 -12.331 1.552 1.00 0.00 C ATOM 437 SD MET A 60 6.983 -13.594 2.343 1.00 0.00 S ATOM 438 CE MET A 60 8.142 -12.572 3.237 1.00 0.00 C ATOM 0 H MET A 60 5.310 -11.486 -1.217 1.00 0.00 H new ATOM 0 HA MET A 60 6.449 -13.981 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.127 -12.249 0.488 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.454 -13.800 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.639 -11.698 0.934 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.547 -11.688 2.305 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.834 -13.206 3.791 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.700 -11.954 2.534 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.601 -11.931 3.933 1.00 0.00 H new