USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 Set 1.1: A 51 MET CE :methyl 161:sc= -0.0573 (180deg=0) USER MOD Set 1.2: A 71 MET CE :methyl 171:sc= -0.823 (180deg=-0.921) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 8 GLN : amide:sc= -3.65! C(o=-3.7!,f=-1.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc=3.88e-05 USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= -0.667 (180deg=-2.27) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 38:sc= 0.432 USER MOD Single : A 36 MET CE :methyl 171:sc= 0 (180deg=-0.113) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.944 K(o=-0.94,f=-1.7!) USER MOD Single : A 42 ASN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 53 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.89) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 145:sc= -0.203 (180deg=-0.577) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 13:sc= -0.809 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.403 1.148 4.207 1.00 6.93 N ATOM 2 CA ALA A 1 -20.390 1.026 3.147 1.00 6.57 C ATOM 3 C ALA A 1 -20.122 2.092 2.082 1.00 4.83 C ATOM 4 O ALA A 1 -20.934 2.994 1.884 1.00 4.55 O ATOM 5 CB ALA A 1 -21.795 1.136 3.742 1.00 7.83 C ATOM 0 H1 ALA A 1 -19.582 0.425 4.933 1.00 6.93 H new ATOM 0 H2 ALA A 1 -18.451 1.013 3.812 1.00 6.93 H new ATOM 0 H3 ALA A 1 -19.469 2.093 4.636 1.00 6.93 H new ATOM 0 HA ALA A 1 -20.317 0.052 2.664 1.00 6.57 H new ATOM 0 HB1 ALA A 1 -22.535 1.045 2.947 1.00 7.83 H new ATOM 0 HB2 ALA A 1 -21.945 0.339 4.471 1.00 7.83 H new ATOM 0 HB3 ALA A 1 -21.908 2.103 4.233 1.00 7.83 H new ATOM 11 N ASP A 2 -18.980 1.953 1.425 1.00 4.79 N ATOM 12 CA ASP A 2 -18.595 2.892 0.385 1.00 4.75 C ATOM 13 C ASP A 2 -18.195 4.221 1.028 1.00 3.56 C ATOM 14 O ASP A 2 -17.096 4.723 0.793 1.00 5.12 O ATOM 15 CB ASP A 2 -19.758 3.162 -0.572 1.00 5.38 C ATOM 16 CG ASP A 2 -20.403 1.912 -1.174 1.00 6.97 C ATOM 17 OD1 ASP A 2 -20.110 0.814 -0.651 1.00 7.97 O ATOM 18 OD2 ASP A 2 -21.173 2.082 -2.143 1.00 7.67 O ATOM 0 H ASP A 2 -18.308 1.204 1.593 1.00 4.79 H new ATOM 0 HA ASP A 2 -17.764 2.458 -0.171 1.00 4.75 H new ATOM 0 HB2 ASP A 2 -20.523 3.727 -0.040 1.00 5.38 H new ATOM 0 HB3 ASP A 2 -19.401 3.795 -1.384 1.00 5.38 H new ATOM 23 N GLN A 3 -19.107 4.754 1.828 1.00 2.05 N ATOM 24 CA GLN A 3 -18.862 6.016 2.506 1.00 2.79 C ATOM 25 C GLN A 3 -17.616 5.911 3.388 1.00 2.48 C ATOM 26 O GLN A 3 -17.002 6.923 3.723 1.00 3.89 O ATOM 27 CB GLN A 3 -20.081 6.442 3.328 1.00 3.85 C ATOM 28 CG GLN A 3 -21.250 6.821 2.418 1.00 5.08 C ATOM 29 CD GLN A 3 -21.759 8.229 2.736 1.00 7.33 C ATOM 30 OE1 GLN A 3 -21.585 8.747 3.827 1.00 8.13 O ATOM 31 NE2 GLN A 3 -22.394 8.816 1.726 1.00 8.66 N ATOM 0 H GLN A 3 -20.017 4.335 2.022 1.00 2.05 H new ATOM 0 HA GLN A 3 -18.686 6.783 1.752 1.00 2.79 H new ATOM 0 HB2 GLN A 3 -20.380 5.629 3.990 1.00 3.85 H new ATOM 0 HB3 GLN A 3 -19.819 7.289 3.961 1.00 3.85 H new ATOM 0 HG2 GLN A 3 -20.935 6.771 1.376 1.00 5.08 H new ATOM 0 HG3 GLN A 3 -22.059 6.101 2.541 1.00 5.08 H new ATOM 0 HE21 GLN A 3 -22.505 8.325 0.839 1.00 8.66 H new ATOM 0 HE22 GLN A 3 -22.771 9.757 1.838 1.00 8.66 H new ATOM 40 N LEU A 4 -17.279 4.679 3.737 1.00 1.22 N ATOM 41 CA LEU A 4 -16.117 4.429 4.573 1.00 1.00 C ATOM 42 C LEU A 4 -14.875 5.018 3.901 1.00 0.75 C ATOM 43 O LEU A 4 -14.048 5.647 4.560 1.00 0.88 O ATOM 44 CB LEU A 4 -15.996 2.937 4.890 1.00 1.39 C ATOM 45 CG LEU A 4 -14.876 2.187 4.166 1.00 1.65 C ATOM 46 CD1 LEU A 4 -13.521 2.459 4.821 1.00 1.54 C ATOM 47 CD2 LEU A 4 -15.183 0.690 4.085 1.00 3.22 C ATOM 0 H LEU A 4 -17.790 3.842 3.456 1.00 1.22 H new ATOM 0 HA LEU A 4 -16.226 4.928 5.536 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -15.847 2.825 5.964 1.00 1.39 H new ATOM 0 HB3 LEU A 4 -16.944 2.456 4.648 1.00 1.39 H new ATOM 0 HG LEU A 4 -14.820 2.561 3.144 1.00 1.65 H new ATOM 0 HD11 LEU A 4 -12.743 1.914 4.287 1.00 1.54 H new ATOM 0 HD12 LEU A 4 -13.307 3.527 4.784 1.00 1.54 H new ATOM 0 HD13 LEU A 4 -13.546 2.130 5.860 1.00 1.54 H new ATOM 0 HD21 LEU A 4 -14.372 0.180 3.566 1.00 3.22 H new ATOM 0 HD22 LEU A 4 -15.282 0.284 5.092 1.00 3.22 H new ATOM 0 HD23 LEU A 4 -16.115 0.539 3.540 1.00 3.22 H new ATOM 59 N THR A 5 -14.783 4.794 2.599 1.00 0.65 N ATOM 60 CA THR A 5 -13.656 5.294 1.831 1.00 0.55 C ATOM 61 C THR A 5 -13.574 6.818 1.937 1.00 0.52 C ATOM 62 O THR A 5 -12.524 7.406 1.680 1.00 0.50 O ATOM 63 CB THR A 5 -13.804 4.792 0.393 1.00 0.79 C ATOM 64 OG1 THR A 5 -12.465 4.729 -0.092 1.00 1.99 O ATOM 65 CG2 THR A 5 -14.482 5.817 -0.518 1.00 1.44 C ATOM 0 H THR A 5 -15.471 4.272 2.056 1.00 0.65 H new ATOM 0 HA THR A 5 -12.711 4.920 2.225 1.00 0.55 H new ATOM 0 HB THR A 5 -14.379 3.866 0.389 1.00 0.79 H new ATOM 0 HG1 THR A 5 -12.467 4.411 -1.019 1.00 1.99 H new ATOM 0 HG21 THR A 5 -14.562 5.411 -1.526 1.00 1.44 H new ATOM 0 HG22 THR A 5 -15.478 6.040 -0.136 1.00 1.44 H new ATOM 0 HG23 THR A 5 -13.889 6.731 -0.541 1.00 1.44 H new ATOM 73 N GLU A 6 -14.694 7.415 2.316 1.00 0.62 N ATOM 74 CA GLU A 6 -14.762 8.859 2.459 1.00 0.72 C ATOM 75 C GLU A 6 -13.740 9.339 3.492 1.00 0.69 C ATOM 76 O GLU A 6 -12.842 10.115 3.168 1.00 0.73 O ATOM 77 CB GLU A 6 -16.175 9.307 2.838 1.00 0.88 C ATOM 78 CG GLU A 6 -16.338 10.818 2.658 1.00 1.33 C ATOM 79 CD GLU A 6 -17.809 11.193 2.472 1.00 1.87 C ATOM 80 OE1 GLU A 6 -18.472 10.507 1.663 1.00 3.05 O ATOM 81 OE2 GLU A 6 -18.239 12.156 3.142 1.00 2.24 O ATOM 0 H GLU A 6 -15.563 6.924 2.529 1.00 0.62 H new ATOM 0 HA GLU A 6 -14.518 9.311 1.498 1.00 0.72 H new ATOM 0 HB2 GLU A 6 -16.904 8.783 2.221 1.00 0.88 H new ATOM 0 HB3 GLU A 6 -16.381 9.036 3.874 1.00 0.88 H new ATOM 0 HG2 GLU A 6 -15.934 11.337 3.527 1.00 1.33 H new ATOM 0 HG3 GLU A 6 -15.763 11.149 1.793 1.00 1.33 H new ATOM 88 N GLU A 7 -13.910 8.856 4.714 1.00 0.70 N ATOM 89 CA GLU A 7 -13.013 9.226 5.796 1.00 0.80 C ATOM 90 C GLU A 7 -11.642 8.579 5.593 1.00 0.72 C ATOM 91 O GLU A 7 -10.627 9.114 6.039 1.00 0.73 O ATOM 92 CB GLU A 7 -13.605 8.842 7.154 1.00 0.99 C ATOM 93 CG GLU A 7 -13.849 7.334 7.239 1.00 0.78 C ATOM 94 CD GLU A 7 -13.583 6.814 8.653 1.00 1.13 C ATOM 95 OE1 GLU A 7 -12.676 7.377 9.303 1.00 1.94 O ATOM 96 OE2 GLU A 7 -14.291 5.865 9.052 1.00 1.53 O ATOM 0 H GLU A 7 -14.655 8.212 4.979 1.00 0.70 H new ATOM 0 HA GLU A 7 -12.887 10.309 5.784 1.00 0.80 H new ATOM 0 HB2 GLU A 7 -12.927 9.150 7.950 1.00 0.99 H new ATOM 0 HB3 GLU A 7 -14.543 9.375 7.310 1.00 0.99 H new ATOM 0 HG2 GLU A 7 -14.877 7.112 6.953 1.00 0.78 H new ATOM 0 HG3 GLU A 7 -13.202 6.817 6.530 1.00 0.78 H new ATOM 103 N GLN A 8 -11.655 7.438 4.920 1.00 0.70 N ATOM 104 CA GLN A 8 -10.424 6.713 4.653 1.00 0.67 C ATOM 105 C GLN A 8 -9.579 7.464 3.622 1.00 0.58 C ATOM 106 O GLN A 8 -8.451 7.861 3.910 1.00 0.68 O ATOM 107 CB GLN A 8 -10.719 5.286 4.186 1.00 0.70 C ATOM 108 CG GLN A 8 -10.374 4.270 5.276 1.00 1.67 C ATOM 109 CD GLN A 8 -10.791 4.783 6.656 1.00 3.14 C ATOM 110 OE1 GLN A 8 -10.020 5.391 7.380 1.00 3.71 O ATOM 111 NE2 GLN A 8 -12.051 4.505 6.978 1.00 4.54 N ATOM 0 H GLN A 8 -12.498 6.998 4.552 1.00 0.70 H new ATOM 0 HA GLN A 8 -9.855 6.646 5.581 1.00 0.67 H new ATOM 0 HB2 GLN A 8 -11.773 5.197 3.921 1.00 0.70 H new ATOM 0 HB3 GLN A 8 -10.144 5.068 3.286 1.00 0.70 H new ATOM 0 HG2 GLN A 8 -10.875 3.325 5.069 1.00 1.67 H new ATOM 0 HG3 GLN A 8 -9.302 4.071 5.267 1.00 1.67 H new ATOM 0 HE21 GLN A 8 -12.643 3.992 6.325 1.00 4.54 H new ATOM 0 HE22 GLN A 8 -12.425 4.805 7.878 1.00 4.54 H new ATOM 120 N ILE A 9 -10.157 7.635 2.442 1.00 0.50 N ATOM 121 CA ILE A 9 -9.471 8.331 1.367 1.00 0.51 C ATOM 122 C ILE A 9 -8.981 9.689 1.875 1.00 0.60 C ATOM 123 O ILE A 9 -8.068 10.279 1.300 1.00 0.78 O ATOM 124 CB ILE A 9 -10.367 8.424 0.131 1.00 0.67 C ATOM 125 CG1 ILE A 9 -11.521 9.403 0.363 1.00 1.70 C ATOM 126 CG2 ILE A 9 -10.866 7.041 -0.290 1.00 2.68 C ATOM 127 CD1 ILE A 9 -11.225 10.761 -0.278 1.00 3.03 C ATOM 0 H ILE A 9 -11.093 7.304 2.207 1.00 0.50 H new ATOM 0 HA ILE A 9 -8.590 7.771 1.052 1.00 0.51 H new ATOM 0 HB ILE A 9 -9.772 8.816 -0.693 1.00 0.67 H new ATOM 0 HG12 ILE A 9 -12.440 8.992 -0.054 1.00 1.70 H new ATOM 0 HG13 ILE A 9 -11.685 9.530 1.433 1.00 1.70 H new ATOM 0 HG21 ILE A 9 -11.501 7.136 -1.171 1.00 2.68 H new ATOM 0 HG22 ILE A 9 -10.014 6.402 -0.524 1.00 2.68 H new ATOM 0 HG23 ILE A 9 -11.439 6.598 0.524 1.00 2.68 H new ATOM 0 HD11 ILE A 9 -12.060 11.438 -0.099 1.00 3.03 H new ATOM 0 HD12 ILE A 9 -10.318 11.180 0.159 1.00 3.03 H new ATOM 0 HD13 ILE A 9 -11.085 10.634 -1.351 1.00 3.03 H new ATOM 139 N ALA A 10 -9.610 10.145 2.948 1.00 0.58 N ATOM 140 CA ALA A 10 -9.250 11.423 3.540 1.00 0.72 C ATOM 141 C ALA A 10 -7.845 11.324 4.139 1.00 0.70 C ATOM 142 O ALA A 10 -6.938 12.043 3.723 1.00 0.77 O ATOM 143 CB ALA A 10 -10.300 11.818 4.580 1.00 0.86 C ATOM 0 H ALA A 10 -10.367 9.653 3.423 1.00 0.58 H new ATOM 0 HA ALA A 10 -9.232 12.206 2.782 1.00 0.72 H new ATOM 0 HB1 ALA A 10 -10.030 12.776 5.024 1.00 0.86 H new ATOM 0 HB2 ALA A 10 -11.275 11.903 4.099 1.00 0.86 H new ATOM 0 HB3 ALA A 10 -10.345 11.057 5.359 1.00 0.86 H new ATOM 149 N GLU A 11 -7.710 10.428 5.105 1.00 0.74 N ATOM 150 CA GLU A 11 -6.431 10.226 5.765 1.00 0.86 C ATOM 151 C GLU A 11 -5.456 9.513 4.825 1.00 0.73 C ATOM 152 O GLU A 11 -4.288 9.889 4.735 1.00 0.71 O ATOM 153 CB GLU A 11 -6.604 9.446 7.070 1.00 1.16 C ATOM 154 CG GLU A 11 -6.753 10.396 8.260 1.00 1.57 C ATOM 155 CD GLU A 11 -7.142 9.631 9.527 1.00 2.02 C ATOM 156 OE1 GLU A 11 -6.210 9.158 10.212 1.00 2.31 O ATOM 157 OE2 GLU A 11 -8.362 9.536 9.781 1.00 3.22 O ATOM 0 H GLU A 11 -8.465 9.833 5.447 1.00 0.74 H new ATOM 0 HA GLU A 11 -6.016 11.202 6.016 1.00 0.86 H new ATOM 0 HB2 GLU A 11 -7.482 8.804 7.000 1.00 1.16 H new ATOM 0 HB3 GLU A 11 -5.744 8.795 7.225 1.00 1.16 H new ATOM 0 HG2 GLU A 11 -5.816 10.928 8.425 1.00 1.57 H new ATOM 0 HG3 GLU A 11 -7.511 11.147 8.037 1.00 1.57 H new ATOM 164 N PHE A 12 -5.971 8.497 4.150 1.00 0.73 N ATOM 165 CA PHE A 12 -5.160 7.728 3.221 1.00 0.82 C ATOM 166 C PHE A 12 -4.401 8.649 2.263 1.00 0.72 C ATOM 167 O PHE A 12 -3.262 8.366 1.897 1.00 0.88 O ATOM 168 CB PHE A 12 -6.117 6.850 2.413 1.00 0.91 C ATOM 169 CG PHE A 12 -6.411 5.493 3.056 1.00 1.48 C ATOM 170 CD1 PHE A 12 -6.720 5.420 4.379 1.00 1.93 C ATOM 171 CD2 PHE A 12 -6.361 4.360 2.306 1.00 1.97 C ATOM 172 CE1 PHE A 12 -6.992 4.161 4.976 1.00 2.51 C ATOM 173 CE2 PHE A 12 -6.633 3.100 2.904 1.00 2.58 C ATOM 174 CZ PHE A 12 -6.943 3.028 4.226 1.00 2.73 C ATOM 0 H PHE A 12 -6.940 8.188 4.227 1.00 0.73 H new ATOM 0 HA PHE A 12 -4.428 7.135 3.769 1.00 0.82 H new ATOM 0 HB2 PHE A 12 -7.056 7.386 2.275 1.00 0.91 H new ATOM 0 HB3 PHE A 12 -5.694 6.687 1.422 1.00 0.91 H new ATOM 0 HD1 PHE A 12 -6.758 6.320 4.975 1.00 1.93 H new ATOM 0 HD2 PHE A 12 -6.115 4.418 1.256 1.00 1.97 H new ATOM 0 HE1 PHE A 12 -7.238 4.103 6.026 1.00 2.51 H new ATOM 0 HE2 PHE A 12 -6.594 2.200 2.309 1.00 2.58 H new ATOM 0 HZ PHE A 12 -7.150 2.070 4.680 1.00 2.73 H new ATOM 184 N LYS A 13 -5.063 9.733 1.886 1.00 0.57 N ATOM 185 CA LYS A 13 -4.465 10.697 0.978 1.00 0.65 C ATOM 186 C LYS A 13 -3.066 11.061 1.478 1.00 0.70 C ATOM 187 O LYS A 13 -2.076 10.834 0.784 1.00 0.93 O ATOM 188 CB LYS A 13 -5.387 11.905 0.796 1.00 0.60 C ATOM 189 CG LYS A 13 -5.467 12.317 -0.675 1.00 1.14 C ATOM 190 CD LYS A 13 -6.370 13.539 -0.854 1.00 0.90 C ATOM 191 CE LYS A 13 -7.370 13.319 -1.991 1.00 1.23 C ATOM 192 NZ LYS A 13 -7.196 14.349 -3.040 1.00 1.99 N ATOM 0 H LYS A 13 -6.008 9.965 2.193 1.00 0.57 H new ATOM 0 HA LYS A 13 -4.347 10.263 -0.015 1.00 0.65 H new ATOM 0 HB2 LYS A 13 -6.384 11.665 1.165 1.00 0.60 H new ATOM 0 HB3 LYS A 13 -5.020 12.740 1.392 1.00 0.60 H new ATOM 0 HG2 LYS A 13 -4.468 12.541 -1.048 1.00 1.14 H new ATOM 0 HG3 LYS A 13 -5.850 11.487 -1.268 1.00 1.14 H new ATOM 0 HD2 LYS A 13 -6.907 13.738 0.074 1.00 0.90 H new ATOM 0 HD3 LYS A 13 -5.761 14.418 -1.065 1.00 0.90 H new ATOM 0 HE2 LYS A 13 -7.229 12.327 -2.420 1.00 1.23 H new ATOM 0 HE3 LYS A 13 -8.387 13.357 -1.601 1.00 1.23 H new ATOM 0 HZ1 LYS A 13 -7.882 14.185 -3.804 1.00 1.99 H new ATOM 0 HZ2 LYS A 13 -7.353 15.292 -2.630 1.00 1.99 H new ATOM 0 HZ3 LYS A 13 -6.231 14.294 -3.424 1.00 1.99 H new ATOM 206 N GLU A 14 -3.028 11.621 2.678 1.00 0.54 N ATOM 207 CA GLU A 14 -1.766 12.019 3.279 1.00 0.60 C ATOM 208 C GLU A 14 -0.969 10.785 3.707 1.00 0.68 C ATOM 209 O GLU A 14 0.259 10.779 3.633 1.00 0.84 O ATOM 210 CB GLU A 14 -1.996 12.961 4.463 1.00 0.62 C ATOM 211 CG GLU A 14 -1.829 14.422 4.041 1.00 1.43 C ATOM 212 CD GLU A 14 -3.013 15.268 4.514 1.00 2.57 C ATOM 213 OE1 GLU A 14 -2.946 15.744 5.668 1.00 2.65 O ATOM 214 OE2 GLU A 14 -3.958 15.421 3.710 1.00 3.98 O ATOM 0 H GLU A 14 -3.851 11.809 3.251 1.00 0.54 H new ATOM 0 HA GLU A 14 -1.185 12.561 2.533 1.00 0.60 H new ATOM 0 HB2 GLU A 14 -2.997 12.807 4.866 1.00 0.62 H new ATOM 0 HB3 GLU A 14 -1.292 12.726 5.261 1.00 0.62 H new ATOM 0 HG2 GLU A 14 -0.904 14.821 4.456 1.00 1.43 H new ATOM 0 HG3 GLU A 14 -1.744 14.483 2.956 1.00 1.43 H new ATOM 221 N ALA A 15 -1.700 9.770 4.144 1.00 0.75 N ATOM 222 CA ALA A 15 -1.077 8.534 4.583 1.00 1.04 C ATOM 223 C ALA A 15 -0.199 7.982 3.458 1.00 1.20 C ATOM 224 O ALA A 15 1.009 7.828 3.628 1.00 1.24 O ATOM 225 CB ALA A 15 -2.159 7.543 5.018 1.00 1.16 C ATOM 0 H ALA A 15 -2.718 9.779 4.203 1.00 0.75 H new ATOM 0 HA ALA A 15 -0.434 8.714 5.445 1.00 1.04 H new ATOM 0 HB1 ALA A 15 -1.691 6.615 5.348 1.00 1.16 H new ATOM 0 HB2 ALA A 15 -2.735 7.970 5.839 1.00 1.16 H new ATOM 0 HB3 ALA A 15 -2.822 7.337 4.178 1.00 1.16 H new ATOM 231 N PHE A 16 -0.841 7.701 2.334 1.00 1.39 N ATOM 232 CA PHE A 16 -0.134 7.170 1.181 1.00 1.68 C ATOM 233 C PHE A 16 1.196 7.897 0.970 1.00 1.48 C ATOM 234 O PHE A 16 2.213 7.268 0.683 1.00 1.57 O ATOM 235 CB PHE A 16 -1.028 7.403 -0.039 1.00 2.02 C ATOM 236 CG PHE A 16 -0.961 6.286 -1.082 1.00 3.19 C ATOM 237 CD1 PHE A 16 -0.929 4.985 -0.685 1.00 5.83 C ATOM 238 CD2 PHE A 16 -0.934 6.593 -2.407 1.00 1.74 C ATOM 239 CE1 PHE A 16 -0.867 3.949 -1.653 1.00 6.95 C ATOM 240 CE2 PHE A 16 -0.872 5.556 -3.375 1.00 2.86 C ATOM 241 CZ PHE A 16 -0.840 4.256 -2.978 1.00 5.41 C ATOM 0 H PHE A 16 -1.843 7.831 2.197 1.00 1.39 H new ATOM 0 HA PHE A 16 0.081 6.112 1.332 1.00 1.68 H new ATOM 0 HB2 PHE A 16 -2.060 7.513 0.295 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -0.744 8.344 -0.510 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -0.951 4.741 0.367 1.00 5.83 H new ATOM 0 HD2 PHE A 16 -0.960 7.626 -2.723 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -0.841 2.916 -1.338 1.00 6.95 H new ATOM 0 HE2 PHE A 16 -0.850 5.800 -4.427 1.00 2.86 H new ATOM 0 HZ PHE A 16 -0.793 3.467 -3.714 1.00 5.41 H new ATOM 251 N SER A 17 1.144 9.213 1.121 1.00 1.31 N ATOM 252 CA SER A 17 2.332 10.032 0.951 1.00 1.19 C ATOM 253 C SER A 17 3.534 9.355 1.612 1.00 0.95 C ATOM 254 O SER A 17 4.631 9.351 1.056 1.00 0.84 O ATOM 255 CB SER A 17 2.123 11.431 1.535 1.00 1.20 C ATOM 256 OG SER A 17 0.912 12.026 1.077 1.00 3.14 O ATOM 0 H SER A 17 0.298 9.731 1.359 1.00 1.31 H new ATOM 0 HA SER A 17 2.525 10.138 -0.117 1.00 1.19 H new ATOM 0 HB2 SER A 17 2.108 11.371 2.623 1.00 1.20 H new ATOM 0 HB3 SER A 17 2.965 12.067 1.262 1.00 1.20 H new ATOM 0 HG SER A 17 0.815 12.917 1.474 1.00 3.14 H new ATOM 262 N LEU A 18 3.287 8.799 2.789 1.00 0.93 N ATOM 263 CA LEU A 18 4.335 8.120 3.531 1.00 0.78 C ATOM 264 C LEU A 18 4.696 6.815 2.818 1.00 0.77 C ATOM 265 O LEU A 18 5.873 6.510 2.633 1.00 0.95 O ATOM 266 CB LEU A 18 3.920 7.929 4.991 1.00 0.79 C ATOM 267 CG LEU A 18 4.334 9.042 5.957 1.00 0.80 C ATOM 268 CD1 LEU A 18 3.822 8.759 7.371 1.00 1.01 C ATOM 269 CD2 LEU A 18 5.848 9.259 5.928 1.00 0.71 C ATOM 0 H LEU A 18 2.376 8.805 3.247 1.00 0.93 H new ATOM 0 HA LEU A 18 5.239 8.729 3.558 1.00 0.78 H new ATOM 0 HB2 LEU A 18 2.836 7.826 5.029 1.00 0.79 H new ATOM 0 HB3 LEU A 18 4.342 6.990 5.348 1.00 0.79 H new ATOM 0 HG LEU A 18 3.870 9.971 5.626 1.00 0.80 H new ATOM 0 HD11 LEU A 18 4.130 9.565 8.037 1.00 1.01 H new ATOM 0 HD12 LEU A 18 2.734 8.695 7.358 1.00 1.01 H new ATOM 0 HD13 LEU A 18 4.237 7.816 7.726 1.00 1.01 H new ATOM 0 HD21 LEU A 18 6.115 10.055 6.623 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.353 8.338 6.219 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.156 9.539 4.921 1.00 0.71 H new ATOM 281 N PHE A 19 3.661 6.081 2.438 1.00 0.71 N ATOM 282 CA PHE A 19 3.854 4.816 1.750 1.00 0.84 C ATOM 283 C PHE A 19 4.628 5.014 0.445 1.00 0.75 C ATOM 284 O PHE A 19 5.462 4.185 0.082 1.00 0.80 O ATOM 285 CB PHE A 19 2.463 4.266 1.425 1.00 1.11 C ATOM 286 CG PHE A 19 1.701 3.744 2.644 1.00 1.44 C ATOM 287 CD1 PHE A 19 0.998 4.605 3.427 1.00 2.37 C ATOM 288 CD2 PHE A 19 1.725 2.417 2.944 1.00 2.25 C ATOM 289 CE1 PHE A 19 0.290 4.120 4.559 1.00 2.99 C ATOM 290 CE2 PHE A 19 1.017 1.932 4.075 1.00 2.58 C ATOM 291 CZ PHE A 19 0.315 2.794 4.859 1.00 2.63 C ATOM 0 H PHE A 19 2.686 6.338 2.593 1.00 0.71 H new ATOM 0 HA PHE A 19 4.425 4.134 2.380 1.00 0.84 H new ATOM 0 HB2 PHE A 19 1.875 5.051 0.950 1.00 1.11 H new ATOM 0 HB3 PHE A 19 2.563 3.459 0.699 1.00 1.11 H new ATOM 0 HD1 PHE A 19 0.978 5.658 3.188 1.00 2.37 H new ATOM 0 HD2 PHE A 19 2.283 1.733 2.322 1.00 2.25 H new ATOM 0 HE1 PHE A 19 -0.268 4.804 5.181 1.00 2.99 H new ATOM 0 HE2 PHE A 19 1.036 0.879 4.313 1.00 2.58 H new ATOM 0 HZ PHE A 19 -0.223 2.425 5.720 1.00 2.63 H new ATOM 301 N ASP A 20 4.325 6.116 -0.224 1.00 0.71 N ATOM 302 CA ASP A 20 4.983 6.434 -1.480 1.00 0.67 C ATOM 303 C ASP A 20 6.345 7.068 -1.192 1.00 0.70 C ATOM 304 O ASP A 20 6.427 8.254 -0.874 1.00 1.10 O ATOM 305 CB ASP A 20 4.159 7.433 -2.296 1.00 0.78 C ATOM 306 CG ASP A 20 4.154 7.186 -3.806 1.00 0.86 C ATOM 307 OD1 ASP A 20 5.244 6.878 -4.334 1.00 0.66 O ATOM 308 OD2 ASP A 20 3.060 7.311 -4.397 1.00 1.48 O ATOM 0 H ASP A 20 3.632 6.800 0.080 1.00 0.71 H new ATOM 0 HA ASP A 20 5.093 5.509 -2.046 1.00 0.67 H new ATOM 0 HB2 ASP A 20 3.130 7.412 -1.936 1.00 0.78 H new ATOM 0 HB3 ASP A 20 4.542 8.436 -2.108 1.00 0.78 H new ATOM 313 N LYS A 21 7.380 6.251 -1.314 1.00 0.65 N ATOM 314 CA LYS A 21 8.735 6.717 -1.071 1.00 0.78 C ATOM 315 C LYS A 21 9.217 7.521 -2.280 1.00 0.59 C ATOM 316 O LYS A 21 9.574 8.691 -2.149 1.00 0.82 O ATOM 317 CB LYS A 21 9.648 5.544 -0.709 1.00 1.04 C ATOM 318 CG LYS A 21 8.971 4.612 0.298 1.00 0.82 C ATOM 319 CD LYS A 21 8.718 5.330 1.626 1.00 0.76 C ATOM 320 CE LYS A 21 7.844 4.481 2.551 1.00 1.08 C ATOM 321 NZ LYS A 21 7.637 5.170 3.845 1.00 1.57 N ATOM 0 H LYS A 21 7.308 5.268 -1.578 1.00 0.65 H new ATOM 0 HA LYS A 21 8.759 7.387 -0.211 1.00 0.78 H new ATOM 0 HB2 LYS A 21 9.905 4.987 -1.610 1.00 1.04 H new ATOM 0 HB3 LYS A 21 10.581 5.921 -0.291 1.00 1.04 H new ATOM 0 HG2 LYS A 21 8.027 4.253 -0.111 1.00 0.82 H new ATOM 0 HG3 LYS A 21 9.598 3.737 0.467 1.00 0.82 H new ATOM 0 HD2 LYS A 21 9.669 5.545 2.114 1.00 0.76 H new ATOM 0 HD3 LYS A 21 8.232 6.288 1.439 1.00 0.76 H new ATOM 0 HE2 LYS A 21 6.882 4.289 2.077 1.00 1.08 H new ATOM 0 HE3 LYS A 21 8.316 3.513 2.719 1.00 1.08 H new ATOM 0 HZ1 LYS A 21 7.769 4.493 4.624 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 8.324 5.945 3.939 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 6.672 5.556 3.882 1.00 1.57 H new ATOM 335 N ASP A 22 9.213 6.862 -3.429 1.00 0.52 N ATOM 336 CA ASP A 22 9.646 7.501 -4.660 1.00 0.42 C ATOM 337 C ASP A 22 9.040 8.904 -4.742 1.00 0.45 C ATOM 338 O ASP A 22 9.744 9.873 -5.021 1.00 0.56 O ATOM 339 CB ASP A 22 9.179 6.712 -5.884 1.00 0.56 C ATOM 340 CG ASP A 22 10.118 5.587 -6.325 1.00 1.30 C ATOM 341 OD1 ASP A 22 11.339 5.849 -6.362 1.00 2.20 O ATOM 342 OD2 ASP A 22 9.592 4.491 -6.616 1.00 1.60 O ATOM 0 H ASP A 22 8.917 5.892 -3.534 1.00 0.52 H new ATOM 0 HA ASP A 22 10.735 7.544 -4.653 1.00 0.42 H new ATOM 0 HB2 ASP A 22 8.200 6.284 -5.670 1.00 0.56 H new ATOM 0 HB3 ASP A 22 9.050 7.404 -6.716 1.00 0.56 H new ATOM 347 N GLY A 23 7.740 8.967 -4.494 1.00 0.61 N ATOM 348 CA GLY A 23 7.031 10.235 -4.537 1.00 0.88 C ATOM 349 C GLY A 23 6.566 10.556 -5.959 1.00 1.02 C ATOM 350 O GLY A 23 6.484 11.722 -6.340 1.00 1.29 O ATOM 0 H GLY A 23 7.159 8.161 -4.263 1.00 0.61 H new ATOM 0 HA2 GLY A 23 6.170 10.197 -3.869 1.00 0.88 H new ATOM 0 HA3 GLY A 23 7.681 11.031 -4.175 1.00 0.88 H new ATOM 354 N ASP A 24 6.275 9.500 -6.704 1.00 0.90 N ATOM 355 CA ASP A 24 5.821 9.655 -8.076 1.00 1.11 C ATOM 356 C ASP A 24 4.307 9.441 -8.134 1.00 1.28 C ATOM 357 O ASP A 24 3.617 10.074 -8.932 1.00 1.93 O ATOM 358 CB ASP A 24 6.480 8.624 -8.994 1.00 1.07 C ATOM 359 CG ASP A 24 6.118 7.167 -8.696 1.00 1.14 C ATOM 360 OD1 ASP A 24 6.021 6.842 -7.493 1.00 0.86 O ATOM 361 OD2 ASP A 24 5.947 6.413 -9.677 1.00 2.06 O ATOM 0 H ASP A 24 6.345 8.534 -6.384 1.00 0.90 H new ATOM 0 HA ASP A 24 6.089 10.658 -8.409 1.00 1.11 H new ATOM 0 HB2 ASP A 24 6.203 8.848 -10.024 1.00 1.07 H new ATOM 0 HB3 ASP A 24 7.562 8.736 -8.923 1.00 1.07 H new ATOM 366 N GLY A 25 3.834 8.546 -7.279 1.00 0.85 N ATOM 367 CA GLY A 25 2.415 8.241 -7.223 1.00 0.96 C ATOM 368 C GLY A 25 2.183 6.735 -7.079 1.00 1.04 C ATOM 369 O GLY A 25 1.108 6.306 -6.664 1.00 1.80 O ATOM 0 H GLY A 25 4.409 8.022 -6.619 1.00 0.85 H new ATOM 0 HA2 GLY A 25 1.960 8.765 -6.382 1.00 0.96 H new ATOM 0 HA3 GLY A 25 1.926 8.603 -8.127 1.00 0.96 H new ATOM 373 N THR A 26 3.210 5.975 -7.430 1.00 0.45 N ATOM 374 CA THR A 26 3.131 4.526 -7.345 1.00 0.45 C ATOM 375 C THR A 26 3.891 4.022 -6.117 1.00 0.43 C ATOM 376 O THR A 26 4.915 4.590 -5.740 1.00 0.64 O ATOM 377 CB THR A 26 3.652 3.946 -8.662 1.00 0.51 C ATOM 378 OG1 THR A 26 2.745 4.441 -9.643 1.00 2.09 O ATOM 379 CG2 THR A 26 3.490 2.427 -8.737 1.00 1.90 C ATOM 0 H THR A 26 4.101 6.335 -7.774 1.00 0.45 H new ATOM 0 HA THR A 26 2.102 4.193 -7.211 1.00 0.45 H new ATOM 0 HB THR A 26 4.704 4.205 -8.781 1.00 0.51 H new ATOM 0 HG1 THR A 26 3.010 4.114 -10.528 1.00 2.09 H new ATOM 0 HG21 THR A 26 3.875 2.067 -9.691 1.00 1.90 H new ATOM 0 HG22 THR A 26 4.045 1.961 -7.923 1.00 1.90 H new ATOM 0 HG23 THR A 26 2.434 2.169 -8.651 1.00 1.90 H new ATOM 387 N ILE A 27 3.360 2.962 -5.526 1.00 0.29 N ATOM 388 CA ILE A 27 3.975 2.375 -4.348 1.00 0.29 C ATOM 389 C ILE A 27 4.595 1.026 -4.720 1.00 0.31 C ATOM 390 O ILE A 27 3.935 -0.008 -4.636 1.00 0.44 O ATOM 391 CB ILE A 27 2.966 2.293 -3.201 1.00 0.31 C ATOM 392 CG1 ILE A 27 2.838 3.639 -2.485 1.00 0.38 C ATOM 393 CG2 ILE A 27 3.324 1.161 -2.235 1.00 0.36 C ATOM 394 CD1 ILE A 27 2.313 4.717 -3.435 1.00 0.67 C ATOM 0 H ILE A 27 2.510 2.494 -5.841 1.00 0.29 H new ATOM 0 HA ILE A 27 4.784 3.009 -3.985 1.00 0.29 H new ATOM 0 HB ILE A 27 1.988 2.059 -3.623 1.00 0.31 H new ATOM 0 HG12 ILE A 27 2.164 3.540 -1.634 1.00 0.38 H new ATOM 0 HG13 ILE A 27 3.809 3.939 -2.090 1.00 0.38 H new ATOM 0 HG21 ILE A 27 2.591 1.125 -1.429 1.00 0.36 H new ATOM 0 HG22 ILE A 27 3.322 0.212 -2.770 1.00 0.36 H new ATOM 0 HG23 ILE A 27 4.315 1.339 -1.817 1.00 0.36 H new ATOM 0 HD11 ILE A 27 2.231 5.664 -2.901 1.00 0.67 H new ATOM 0 HD12 ILE A 27 3.001 4.831 -4.272 1.00 0.67 H new ATOM 0 HD13 ILE A 27 1.332 4.426 -3.809 1.00 0.67 H new ATOM 406 N THR A 28 5.856 1.081 -5.122 1.00 0.28 N ATOM 407 CA THR A 28 6.572 -0.123 -5.506 1.00 0.35 C ATOM 408 C THR A 28 6.655 -1.094 -4.327 1.00 0.30 C ATOM 409 O THR A 28 6.698 -0.671 -3.172 1.00 0.32 O ATOM 410 CB THR A 28 7.941 0.294 -6.048 1.00 0.46 C ATOM 411 OG1 THR A 28 7.663 0.782 -7.357 1.00 0.61 O ATOM 412 CG2 THR A 28 8.866 -0.902 -6.285 1.00 0.48 C ATOM 0 H THR A 28 6.400 1.941 -5.190 1.00 0.28 H new ATOM 0 HA THR A 28 6.045 -0.662 -6.293 1.00 0.35 H new ATOM 0 HB THR A 28 8.412 0.985 -5.349 1.00 0.46 H new ATOM 0 HG1 THR A 28 8.497 1.076 -7.781 1.00 0.61 H new ATOM 0 HG21 THR A 28 9.824 -0.551 -6.669 1.00 0.48 H new ATOM 0 HG22 THR A 28 9.024 -1.431 -5.345 1.00 0.48 H new ATOM 0 HG23 THR A 28 8.410 -1.577 -7.009 1.00 0.48 H new ATOM 420 N THR A 29 6.676 -2.376 -4.658 1.00 0.34 N ATOM 421 CA THR A 29 6.753 -3.411 -3.640 1.00 0.34 C ATOM 422 C THR A 29 7.662 -2.964 -2.494 1.00 0.34 C ATOM 423 O THR A 29 7.395 -3.265 -1.332 1.00 0.38 O ATOM 424 CB THR A 29 7.216 -4.704 -4.315 1.00 0.37 C ATOM 425 OG1 THR A 29 8.540 -4.412 -4.753 1.00 0.39 O ATOM 426 CG2 THR A 29 6.452 -4.996 -5.608 1.00 0.40 C ATOM 0 H THR A 29 6.641 -2.722 -5.617 1.00 0.34 H new ATOM 0 HA THR A 29 5.779 -3.595 -3.187 1.00 0.34 H new ATOM 0 HB THR A 29 7.092 -5.538 -3.624 1.00 0.37 H new ATOM 0 HG1 THR A 29 8.917 -5.198 -5.201 1.00 0.39 H new ATOM 0 HG21 THR A 29 6.820 -5.924 -6.046 1.00 0.40 H new ATOM 0 HG22 THR A 29 5.389 -5.095 -5.388 1.00 0.40 H new ATOM 0 HG23 THR A 29 6.602 -4.178 -6.312 1.00 0.40 H new ATOM 434 N LYS A 30 8.718 -2.253 -2.861 1.00 0.50 N ATOM 435 CA LYS A 30 9.668 -1.762 -1.878 1.00 0.62 C ATOM 436 C LYS A 30 9.000 -0.683 -1.024 1.00 0.64 C ATOM 437 O LYS A 30 9.017 -0.758 0.204 1.00 0.77 O ATOM 438 CB LYS A 30 10.955 -1.296 -2.562 1.00 0.82 C ATOM 439 CG LYS A 30 11.709 -2.478 -3.175 1.00 1.87 C ATOM 440 CD LYS A 30 12.942 -2.002 -3.947 1.00 1.66 C ATOM 441 CE LYS A 30 14.229 -2.480 -3.272 1.00 3.13 C ATOM 442 NZ LYS A 30 15.345 -2.505 -4.244 1.00 3.69 N ATOM 0 H LYS A 30 8.937 -2.005 -3.826 1.00 0.50 H new ATOM 0 HA LYS A 30 9.966 -2.564 -1.203 1.00 0.62 H new ATOM 0 HB2 LYS A 30 10.716 -0.570 -3.339 1.00 0.82 H new ATOM 0 HB3 LYS A 30 11.593 -0.789 -1.838 1.00 0.82 H new ATOM 0 HG2 LYS A 30 12.013 -3.168 -2.388 1.00 1.87 H new ATOM 0 HG3 LYS A 30 11.047 -3.029 -3.844 1.00 1.87 H new ATOM 0 HD2 LYS A 30 12.902 -2.377 -4.970 1.00 1.66 H new ATOM 0 HD3 LYS A 30 12.941 -0.914 -4.006 1.00 1.66 H new ATOM 0 HE2 LYS A 30 14.478 -1.820 -2.441 1.00 3.13 H new ATOM 0 HE3 LYS A 30 14.080 -3.476 -2.855 1.00 3.13 H new ATOM 0 HZ1 LYS A 30 16.211 -2.832 -3.770 1.00 3.69 H new ATOM 0 HZ2 LYS A 30 15.112 -3.153 -5.024 1.00 3.69 H new ATOM 0 HZ3 LYS A 30 15.497 -1.548 -4.622 1.00 3.69 H new ATOM 456 N GLU A 31 8.427 0.297 -1.708 1.00 0.61 N ATOM 457 CA GLU A 31 7.755 1.391 -1.027 1.00 0.66 C ATOM 458 C GLU A 31 6.831 0.848 0.065 1.00 0.50 C ATOM 459 O GLU A 31 6.626 1.498 1.089 1.00 0.55 O ATOM 460 CB GLU A 31 6.980 2.260 -2.020 1.00 0.78 C ATOM 461 CG GLU A 31 7.932 3.090 -2.882 1.00 0.93 C ATOM 462 CD GLU A 31 7.177 3.792 -4.013 1.00 1.01 C ATOM 463 OE1 GLU A 31 6.540 4.825 -3.715 1.00 1.94 O ATOM 464 OE2 GLU A 31 7.253 3.279 -5.150 1.00 1.68 O ATOM 0 H GLU A 31 8.414 0.356 -2.726 1.00 0.61 H new ATOM 0 HA GLU A 31 8.510 2.020 -0.556 1.00 0.66 H new ATOM 0 HB2 GLU A 31 6.364 1.627 -2.659 1.00 0.78 H new ATOM 0 HB3 GLU A 31 6.304 2.922 -1.479 1.00 0.78 H new ATOM 0 HG2 GLU A 31 8.437 3.831 -2.262 1.00 0.93 H new ATOM 0 HG3 GLU A 31 8.705 2.445 -3.301 1.00 0.93 H new ATOM 471 N LEU A 32 6.298 -0.337 -0.191 1.00 0.37 N ATOM 472 CA LEU A 32 5.400 -0.975 0.758 1.00 0.31 C ATOM 473 C LEU A 32 6.200 -1.438 1.977 1.00 0.27 C ATOM 474 O LEU A 32 5.849 -1.120 3.112 1.00 0.37 O ATOM 475 CB LEU A 32 4.610 -2.095 0.079 1.00 0.32 C ATOM 476 CG LEU A 32 3.440 -2.670 0.879 1.00 0.47 C ATOM 477 CD1 LEU A 32 2.760 -3.808 0.115 1.00 1.58 C ATOM 478 CD2 LEU A 32 3.891 -3.106 2.275 1.00 1.54 C ATOM 0 H LEU A 32 6.470 -0.873 -1.042 1.00 0.37 H new ATOM 0 HA LEU A 32 4.655 -0.264 1.116 1.00 0.31 H new ATOM 0 HB2 LEU A 32 4.226 -1.719 -0.869 1.00 0.32 H new ATOM 0 HB3 LEU A 32 5.298 -2.907 -0.156 1.00 0.32 H new ATOM 0 HG LEU A 32 2.698 -1.883 1.012 1.00 0.47 H new ATOM 0 HD11 LEU A 32 1.932 -4.199 0.706 1.00 1.58 H new ATOM 0 HD12 LEU A 32 2.382 -3.433 -0.836 1.00 1.58 H new ATOM 0 HD13 LEU A 32 3.481 -4.604 -0.070 1.00 1.58 H new ATOM 0 HD21 LEU A 32 3.040 -3.511 2.822 1.00 1.54 H new ATOM 0 HD22 LEU A 32 4.662 -3.871 2.186 1.00 1.54 H new ATOM 0 HD23 LEU A 32 4.293 -2.247 2.812 1.00 1.54 H new ATOM 490 N GLY A 33 7.260 -2.184 1.701 1.00 0.29 N ATOM 491 CA GLY A 33 8.113 -2.695 2.761 1.00 0.39 C ATOM 492 C GLY A 33 8.934 -1.570 3.394 1.00 0.54 C ATOM 493 O GLY A 33 9.445 -1.718 4.503 1.00 0.79 O ATOM 0 H GLY A 33 7.548 -2.447 0.758 1.00 0.29 H new ATOM 0 HA2 GLY A 33 7.502 -3.178 3.524 1.00 0.39 H new ATOM 0 HA3 GLY A 33 8.782 -3.456 2.359 1.00 0.39 H new ATOM 497 N THR A 34 9.036 -0.470 2.662 1.00 0.47 N ATOM 498 CA THR A 34 9.787 0.679 3.138 1.00 0.63 C ATOM 499 C THR A 34 9.077 1.323 4.330 1.00 0.66 C ATOM 500 O THR A 34 9.696 1.578 5.362 1.00 0.90 O ATOM 501 CB THR A 34 9.985 1.635 1.960 1.00 0.66 C ATOM 502 OG1 THR A 34 10.685 0.855 0.994 1.00 0.86 O ATOM 503 CG2 THR A 34 10.951 2.775 2.288 1.00 0.85 C ATOM 0 H THR A 34 8.611 -0.350 1.743 1.00 0.47 H new ATOM 0 HA THR A 34 10.770 0.385 3.505 1.00 0.63 H new ATOM 0 HB THR A 34 9.022 2.049 1.663 1.00 0.66 H new ATOM 0 HG1 THR A 34 10.347 -0.065 1.009 1.00 0.86 H new ATOM 0 HG21 THR A 34 11.056 3.424 1.419 1.00 0.85 H new ATOM 0 HG22 THR A 34 10.562 3.352 3.127 1.00 0.85 H new ATOM 0 HG23 THR A 34 11.925 2.362 2.553 1.00 0.85 H new ATOM 511 N VAL A 35 7.787 1.568 4.149 1.00 0.50 N ATOM 512 CA VAL A 35 6.986 2.178 5.196 1.00 0.65 C ATOM 513 C VAL A 35 6.766 1.163 6.320 1.00 0.61 C ATOM 514 O VAL A 35 7.026 1.456 7.486 1.00 0.80 O ATOM 515 CB VAL A 35 5.679 2.714 4.611 1.00 0.75 C ATOM 516 CG1 VAL A 35 4.720 1.570 4.273 1.00 1.66 C ATOM 517 CG2 VAL A 35 5.023 3.717 5.561 1.00 2.00 C ATOM 0 H VAL A 35 7.277 1.355 3.292 1.00 0.50 H new ATOM 0 HA VAL A 35 7.508 3.033 5.626 1.00 0.65 H new ATOM 0 HB VAL A 35 5.916 3.237 3.685 1.00 0.75 H new ATOM 0 HG11 VAL A 35 3.798 1.978 3.859 1.00 1.66 H new ATOM 0 HG12 VAL A 35 5.185 0.909 3.541 1.00 1.66 H new ATOM 0 HG13 VAL A 35 4.493 1.006 5.178 1.00 1.66 H new ATOM 0 HG21 VAL A 35 4.095 4.082 5.120 1.00 2.00 H new ATOM 0 HG22 VAL A 35 4.806 3.230 6.511 1.00 2.00 H new ATOM 0 HG23 VAL A 35 5.700 4.555 5.729 1.00 2.00 H new ATOM 527 N MET A 36 6.289 -0.010 5.930 1.00 0.46 N ATOM 528 CA MET A 36 6.032 -1.070 6.889 1.00 0.48 C ATOM 529 C MET A 36 7.149 -1.150 7.932 1.00 0.68 C ATOM 530 O MET A 36 6.902 -0.981 9.125 1.00 0.73 O ATOM 531 CB MET A 36 5.922 -2.408 6.155 1.00 0.60 C ATOM 532 CG MET A 36 4.643 -2.471 5.317 1.00 0.63 C ATOM 533 SD MET A 36 3.235 -2.768 6.373 1.00 0.72 S ATOM 534 CE MET A 36 3.073 -4.535 6.183 1.00 2.37 C ATOM 0 H MET A 36 6.074 -0.249 4.962 1.00 0.46 H new ATOM 0 HA MET A 36 5.096 -0.849 7.403 1.00 0.48 H new ATOM 0 HB2 MET A 36 6.790 -2.546 5.511 1.00 0.60 H new ATOM 0 HB3 MET A 36 5.928 -3.224 6.877 1.00 0.60 H new ATOM 0 HG2 MET A 36 4.509 -1.536 4.773 1.00 0.63 H new ATOM 0 HG3 MET A 36 4.724 -3.264 4.574 1.00 0.63 H new ATOM 0 HE1 MET A 36 2.342 -4.912 6.898 1.00 2.37 H new ATOM 0 HE2 MET A 36 2.741 -4.763 5.170 1.00 2.37 H new ATOM 0 HE3 MET A 36 4.037 -5.010 6.365 1.00 2.37 H new ATOM 544 N ARG A 37 8.353 -1.407 7.443 1.00 0.93 N ATOM 545 CA ARG A 37 9.509 -1.511 8.318 1.00 1.24 C ATOM 546 C ARG A 37 9.723 -0.197 9.072 1.00 1.40 C ATOM 547 O ARG A 37 10.168 -0.201 10.219 1.00 1.62 O ATOM 548 CB ARG A 37 10.772 -1.847 7.523 1.00 1.66 C ATOM 549 CG ARG A 37 11.003 -0.830 6.404 1.00 1.49 C ATOM 550 CD ARG A 37 11.975 0.264 6.849 1.00 1.89 C ATOM 551 NE ARG A 37 12.675 0.829 5.673 1.00 2.46 N ATOM 552 CZ ARG A 37 13.396 1.957 5.698 1.00 3.34 C ATOM 553 NH1 ARG A 37 13.517 2.650 6.839 1.00 4.07 N ATOM 554 NH2 ARG A 37 13.996 2.394 4.583 1.00 3.95 N ATOM 0 H ARG A 37 8.553 -1.546 6.453 1.00 0.93 H new ATOM 0 HA ARG A 37 9.317 -2.315 9.029 1.00 1.24 H new ATOM 0 HB2 ARG A 37 11.633 -1.860 8.191 1.00 1.66 H new ATOM 0 HB3 ARG A 37 10.683 -2.847 7.098 1.00 1.66 H new ATOM 0 HG2 ARG A 37 11.398 -1.336 5.524 1.00 1.49 H new ATOM 0 HG3 ARG A 37 10.053 -0.381 6.114 1.00 1.49 H new ATOM 0 HD2 ARG A 37 11.434 1.052 7.373 1.00 1.89 H new ATOM 0 HD3 ARG A 37 12.700 -0.146 7.552 1.00 1.89 H new ATOM 0 HE ARG A 37 12.603 0.327 4.788 1.00 2.46 H new ATOM 0 HH11 ARG A 37 13.060 2.318 7.688 1.00 4.07 H new ATOM 0 HH12 ARG A 37 14.066 3.509 6.858 1.00 4.07 H new ATOM 0 HH21 ARG A 37 13.904 1.867 3.714 1.00 3.95 H new ATOM 0 HH22 ARG A 37 14.545 3.253 4.603 1.00 3.95 H new ATOM 568 N SER A 38 9.398 0.896 8.397 1.00 1.39 N ATOM 569 CA SER A 38 9.550 2.214 8.989 1.00 1.69 C ATOM 570 C SER A 38 8.685 2.326 10.247 1.00 1.60 C ATOM 571 O SER A 38 8.959 3.146 11.122 1.00 1.87 O ATOM 572 CB SER A 38 9.178 3.312 7.991 1.00 1.85 C ATOM 573 OG SER A 38 9.771 4.564 8.328 1.00 2.12 O ATOM 0 H SER A 38 9.030 0.896 7.446 1.00 1.39 H new ATOM 0 HA SER A 38 10.597 2.347 9.262 1.00 1.69 H new ATOM 0 HB2 SER A 38 9.498 3.017 6.992 1.00 1.85 H new ATOM 0 HB3 SER A 38 8.094 3.421 7.960 1.00 1.85 H new ATOM 0 HG SER A 38 9.511 5.238 7.666 1.00 2.12 H new ATOM 579 N LEU A 39 7.659 1.489 10.297 1.00 1.28 N ATOM 580 CA LEU A 39 6.753 1.483 11.433 1.00 1.29 C ATOM 581 C LEU A 39 7.270 0.502 12.487 1.00 1.22 C ATOM 582 O LEU A 39 6.492 -0.242 13.083 1.00 1.94 O ATOM 583 CB LEU A 39 5.322 1.196 10.975 1.00 1.19 C ATOM 584 CG LEU A 39 4.642 2.302 10.165 1.00 1.45 C ATOM 585 CD1 LEU A 39 3.769 1.711 9.056 1.00 1.82 C ATOM 586 CD2 LEU A 39 3.852 3.243 11.077 1.00 1.39 C ATOM 0 H LEU A 39 7.435 0.810 9.569 1.00 1.28 H new ATOM 0 HA LEU A 39 6.722 2.467 11.901 1.00 1.29 H new ATOM 0 HB2 LEU A 39 5.329 0.286 10.375 1.00 1.19 H new ATOM 0 HB3 LEU A 39 4.714 0.992 11.856 1.00 1.19 H new ATOM 0 HG LEU A 39 5.417 2.898 9.682 1.00 1.45 H new ATOM 0 HD11 LEU A 39 3.297 2.518 8.495 1.00 1.82 H new ATOM 0 HD12 LEU A 39 4.388 1.116 8.384 1.00 1.82 H new ATOM 0 HD13 LEU A 39 2.999 1.078 9.497 1.00 1.82 H new ATOM 0 HD21 LEU A 39 3.379 4.020 10.476 1.00 1.39 H new ATOM 0 HD22 LEU A 39 3.086 2.677 11.608 1.00 1.39 H new ATOM 0 HD23 LEU A 39 4.528 3.703 11.798 1.00 1.39 H new ATOM 598 N GLY A 40 8.580 0.533 12.686 1.00 1.47 N ATOM 599 CA GLY A 40 9.210 -0.344 13.658 1.00 1.33 C ATOM 600 C GLY A 40 9.505 -1.716 13.049 1.00 1.50 C ATOM 601 O GLY A 40 10.630 -2.207 13.130 1.00 2.54 O ATOM 0 H GLY A 40 9.222 1.152 12.191 1.00 1.47 H new ATOM 0 HA2 GLY A 40 10.137 0.107 14.013 1.00 1.33 H new ATOM 0 HA3 GLY A 40 8.559 -0.459 14.525 1.00 1.33 H new ATOM 605 N GLN A 41 8.474 -2.297 12.451 1.00 0.91 N ATOM 606 CA GLN A 41 8.609 -3.603 11.828 1.00 0.91 C ATOM 607 C GLN A 41 9.822 -3.623 10.895 1.00 1.07 C ATOM 608 O GLN A 41 10.535 -2.628 10.776 1.00 2.00 O ATOM 609 CB GLN A 41 7.333 -3.986 11.076 1.00 0.86 C ATOM 610 CG GLN A 41 6.198 -4.306 12.051 1.00 1.44 C ATOM 611 CD GLN A 41 6.642 -5.340 13.088 1.00 2.87 C ATOM 612 OE1 GLN A 41 7.452 -6.213 12.825 1.00 3.78 O ATOM 613 NE2 GLN A 41 6.068 -5.191 14.279 1.00 3.72 N ATOM 0 H GLN A 41 7.542 -1.887 12.385 1.00 0.91 H new ATOM 0 HA GLN A 41 8.766 -4.344 12.612 1.00 0.91 H new ATOM 0 HB2 GLN A 41 7.034 -3.169 10.420 1.00 0.86 H new ATOM 0 HB3 GLN A 41 7.526 -4.850 10.441 1.00 0.86 H new ATOM 0 HG2 GLN A 41 5.879 -3.394 12.555 1.00 1.44 H new ATOM 0 HG3 GLN A 41 5.337 -4.684 11.501 1.00 1.44 H new ATOM 0 HE21 GLN A 41 5.397 -4.438 14.431 1.00 3.72 H new ATOM 0 HE22 GLN A 41 6.299 -5.830 15.040 1.00 3.72 H new ATOM 622 N ASN A 42 10.018 -4.768 10.258 1.00 0.70 N ATOM 623 CA ASN A 42 11.133 -4.931 9.339 1.00 0.69 C ATOM 624 C ASN A 42 10.915 -6.191 8.499 1.00 0.64 C ATOM 625 O ASN A 42 11.721 -7.118 8.544 1.00 0.70 O ATOM 626 CB ASN A 42 12.452 -5.090 10.097 1.00 0.82 C ATOM 627 CG ASN A 42 13.623 -4.540 9.281 1.00 1.47 C ATOM 628 OD1 ASN A 42 14.461 -5.270 8.778 1.00 2.03 O ATOM 629 ND2 ASN A 42 13.634 -3.214 9.177 1.00 1.80 N ATOM 0 H ASN A 42 9.425 -5.591 10.360 1.00 0.70 H new ATOM 0 HA ASN A 42 11.184 -4.043 8.709 1.00 0.69 H new ATOM 0 HB2 ASN A 42 12.392 -4.567 11.052 1.00 0.82 H new ATOM 0 HB3 ASN A 42 12.623 -6.143 10.320 1.00 0.82 H new ATOM 0 HD21 ASN A 42 14.375 -2.750 8.651 1.00 1.80 H new ATOM 0 HD22 ASN A 42 12.902 -2.661 9.623 1.00 1.80 H new ATOM 636 N PRO A 43 9.792 -6.183 7.732 1.00 0.56 N ATOM 637 CA PRO A 43 9.457 -7.314 6.883 1.00 0.56 C ATOM 638 C PRO A 43 10.348 -7.347 5.639 1.00 0.54 C ATOM 639 O PRO A 43 11.126 -6.424 5.403 1.00 0.56 O ATOM 640 CB PRO A 43 7.984 -7.137 6.554 1.00 0.56 C ATOM 641 CG PRO A 43 7.665 -5.679 6.843 1.00 0.54 C ATOM 642 CD PRO A 43 8.813 -5.102 7.654 1.00 0.55 C ATOM 0 HA PRO A 43 9.629 -8.273 7.372 1.00 0.56 H new ATOM 0 HB2 PRO A 43 7.785 -7.381 5.511 1.00 0.56 H new ATOM 0 HB3 PRO A 43 7.366 -7.800 7.160 1.00 0.56 H new ATOM 0 HG2 PRO A 43 7.538 -5.125 5.913 1.00 0.54 H new ATOM 0 HG3 PRO A 43 6.728 -5.595 7.394 1.00 0.54 H new ATOM 0 HD2 PRO A 43 9.235 -4.220 7.172 1.00 0.55 H new ATOM 0 HD3 PRO A 43 8.482 -4.795 8.646 1.00 0.55 H new ATOM 650 N THR A 44 10.204 -8.421 4.876 1.00 0.56 N ATOM 651 CA THR A 44 10.986 -8.586 3.663 1.00 0.56 C ATOM 652 C THR A 44 10.115 -8.341 2.429 1.00 0.45 C ATOM 653 O THR A 44 8.943 -8.714 2.409 1.00 0.45 O ATOM 654 CB THR A 44 11.617 -9.980 3.693 1.00 0.69 C ATOM 655 OG1 THR A 44 10.643 -10.788 4.348 1.00 0.74 O ATOM 656 CG2 THR A 44 12.838 -10.050 4.613 1.00 0.84 C ATOM 0 H THR A 44 9.558 -9.185 5.074 1.00 0.56 H new ATOM 0 HA THR A 44 11.789 -7.851 3.607 1.00 0.56 H new ATOM 0 HB THR A 44 11.906 -10.269 2.683 1.00 0.69 H new ATOM 0 HG1 THR A 44 10.970 -11.710 4.409 1.00 0.74 H new ATOM 0 HG21 THR A 44 13.247 -11.060 4.598 1.00 0.84 H new ATOM 0 HG22 THR A 44 13.595 -9.346 4.267 1.00 0.84 H new ATOM 0 HG23 THR A 44 12.542 -9.794 5.630 1.00 0.84 H new ATOM 664 N GLU A 45 10.721 -7.715 1.431 1.00 0.44 N ATOM 665 CA GLU A 45 10.015 -7.416 0.197 1.00 0.36 C ATOM 666 C GLU A 45 9.487 -8.704 -0.439 1.00 0.33 C ATOM 667 O GLU A 45 8.576 -8.664 -1.265 1.00 0.29 O ATOM 668 CB GLU A 45 10.914 -6.652 -0.778 1.00 0.41 C ATOM 669 CG GLU A 45 12.090 -7.518 -1.233 1.00 0.48 C ATOM 670 CD GLU A 45 11.928 -7.938 -2.695 1.00 2.20 C ATOM 671 OE1 GLU A 45 12.250 -7.101 -3.565 1.00 3.07 O ATOM 672 OE2 GLU A 45 11.486 -9.088 -2.910 1.00 3.62 O ATOM 0 H GLU A 45 11.693 -7.407 1.452 1.00 0.44 H new ATOM 0 HA GLU A 45 9.165 -6.776 0.434 1.00 0.36 H new ATOM 0 HB2 GLU A 45 10.332 -6.338 -1.645 1.00 0.41 H new ATOM 0 HB3 GLU A 45 11.288 -5.747 -0.300 1.00 0.41 H new ATOM 0 HG2 GLU A 45 13.022 -6.966 -1.111 1.00 0.48 H new ATOM 0 HG3 GLU A 45 12.159 -8.404 -0.602 1.00 0.48 H new ATOM 679 N ALA A 46 10.081 -9.815 -0.030 1.00 0.38 N ATOM 680 CA ALA A 46 9.683 -11.112 -0.548 1.00 0.39 C ATOM 681 C ALA A 46 8.257 -11.423 -0.090 1.00 0.38 C ATOM 682 O ALA A 46 7.362 -11.606 -0.914 1.00 0.39 O ATOM 683 CB ALA A 46 10.686 -12.174 -0.095 1.00 0.46 C ATOM 0 H ALA A 46 10.836 -9.843 0.655 1.00 0.38 H new ATOM 0 HA ALA A 46 9.686 -11.107 -1.638 1.00 0.39 H new ATOM 0 HB1 ALA A 46 10.386 -13.147 -0.484 1.00 0.46 H new ATOM 0 HB2 ALA A 46 11.677 -11.922 -0.471 1.00 0.46 H new ATOM 0 HB3 ALA A 46 10.710 -12.211 0.994 1.00 0.46 H new ATOM 689 N GLU A 47 8.089 -11.474 1.224 1.00 0.41 N ATOM 690 CA GLU A 47 6.787 -11.760 1.802 1.00 0.43 C ATOM 691 C GLU A 47 5.741 -10.781 1.265 1.00 0.39 C ATOM 692 O GLU A 47 4.617 -11.175 0.959 1.00 0.40 O ATOM 693 CB GLU A 47 6.845 -11.718 3.330 1.00 0.47 C ATOM 694 CG GLU A 47 7.383 -13.033 3.896 1.00 0.53 C ATOM 695 CD GLU A 47 6.436 -13.603 4.954 1.00 1.09 C ATOM 696 OE1 GLU A 47 5.235 -13.728 4.632 1.00 1.60 O ATOM 697 OE2 GLU A 47 6.936 -13.902 6.060 1.00 2.19 O ATOM 0 H GLU A 47 8.833 -11.322 1.905 1.00 0.41 H new ATOM 0 HA GLU A 47 6.495 -12.769 1.510 1.00 0.43 H new ATOM 0 HB2 GLU A 47 7.481 -10.893 3.650 1.00 0.47 H new ATOM 0 HB3 GLU A 47 5.849 -11.527 3.730 1.00 0.47 H new ATOM 0 HG2 GLU A 47 7.510 -13.755 3.090 1.00 0.53 H new ATOM 0 HG3 GLU A 47 8.367 -12.869 4.335 1.00 0.53 H new ATOM 704 N LEU A 48 6.149 -9.524 1.167 1.00 0.35 N ATOM 705 CA LEU A 48 5.261 -8.486 0.672 1.00 0.33 C ATOM 706 C LEU A 48 5.039 -8.684 -0.829 1.00 0.30 C ATOM 707 O LEU A 48 4.030 -8.239 -1.374 1.00 0.31 O ATOM 708 CB LEU A 48 5.800 -7.102 1.037 1.00 0.32 C ATOM 709 CG LEU A 48 5.576 -6.654 2.483 1.00 0.38 C ATOM 710 CD1 LEU A 48 4.083 -6.559 2.803 1.00 0.45 C ATOM 711 CD2 LEU A 48 6.314 -7.571 3.461 1.00 0.44 C ATOM 0 H LEU A 48 7.082 -9.201 1.422 1.00 0.35 H new ATOM 0 HA LEU A 48 4.285 -8.559 1.151 1.00 0.33 H new ATOM 0 HB2 LEU A 48 6.871 -7.086 0.835 1.00 0.32 H new ATOM 0 HB3 LEU A 48 5.340 -6.369 0.375 1.00 0.32 H new ATOM 0 HG LEU A 48 5.994 -5.654 2.599 1.00 0.38 H new ATOM 0 HD11 LEU A 48 3.952 -6.239 3.837 1.00 0.45 H new ATOM 0 HD12 LEU A 48 3.613 -5.835 2.137 1.00 0.45 H new ATOM 0 HD13 LEU A 48 3.618 -7.535 2.664 1.00 0.45 H new ATOM 0 HD21 LEU A 48 6.139 -7.231 4.482 1.00 0.44 H new ATOM 0 HD22 LEU A 48 5.947 -8.591 3.350 1.00 0.44 H new ATOM 0 HD23 LEU A 48 7.383 -7.545 3.249 1.00 0.44 H new ATOM 723 N GLN A 49 5.997 -9.352 -1.454 1.00 0.29 N ATOM 724 CA GLN A 49 5.919 -9.613 -2.881 1.00 0.29 C ATOM 725 C GLN A 49 4.611 -10.333 -3.217 1.00 0.29 C ATOM 726 O GLN A 49 4.016 -10.088 -4.266 1.00 0.29 O ATOM 727 CB GLN A 49 7.127 -10.422 -3.357 1.00 0.33 C ATOM 728 CG GLN A 49 7.280 -10.336 -4.877 1.00 0.36 C ATOM 729 CD GLN A 49 8.550 -11.051 -5.342 1.00 0.51 C ATOM 730 OE1 GLN A 49 9.196 -11.771 -4.598 1.00 1.15 O ATOM 731 NE2 GLN A 49 8.871 -10.814 -6.610 1.00 1.39 N ATOM 0 H GLN A 49 6.832 -9.721 -0.998 1.00 0.29 H new ATOM 0 HA GLN A 49 5.932 -8.658 -3.407 1.00 0.29 H new ATOM 0 HB2 GLN A 49 8.031 -10.050 -2.875 1.00 0.33 H new ATOM 0 HB3 GLN A 49 7.012 -11.464 -3.058 1.00 0.33 H new ATOM 0 HG2 GLN A 49 6.410 -10.782 -5.359 1.00 0.36 H new ATOM 0 HG3 GLN A 49 7.314 -9.291 -5.184 1.00 0.36 H new ATOM 0 HE21 GLN A 49 8.286 -10.201 -7.178 1.00 1.39 H new ATOM 0 HE22 GLN A 49 9.702 -11.245 -7.015 1.00 1.39 H new ATOM 740 N ASP A 50 4.202 -11.206 -2.308 1.00 0.32 N ATOM 741 CA ASP A 50 2.976 -11.962 -2.496 1.00 0.35 C ATOM 742 C ASP A 50 1.775 -11.030 -2.321 1.00 0.34 C ATOM 743 O ASP A 50 0.740 -11.219 -2.958 1.00 0.37 O ATOM 744 CB ASP A 50 2.857 -13.084 -1.463 1.00 0.42 C ATOM 745 CG ASP A 50 1.732 -14.087 -1.724 1.00 0.58 C ATOM 746 OD1 ASP A 50 1.582 -14.479 -2.901 1.00 1.65 O ATOM 747 OD2 ASP A 50 1.046 -14.440 -0.740 1.00 1.90 O ATOM 0 H ASP A 50 4.698 -11.406 -1.440 1.00 0.32 H new ATOM 0 HA ASP A 50 2.996 -12.393 -3.497 1.00 0.35 H new ATOM 0 HB2 ASP A 50 3.803 -13.624 -1.425 1.00 0.42 H new ATOM 0 HB3 ASP A 50 2.705 -12.638 -0.480 1.00 0.42 H new ATOM 752 N MET A 51 1.953 -10.044 -1.454 1.00 0.32 N ATOM 753 CA MET A 51 0.897 -9.082 -1.187 1.00 0.34 C ATOM 754 C MET A 51 0.686 -8.153 -2.385 1.00 0.32 C ATOM 755 O MET A 51 -0.406 -8.097 -2.947 1.00 0.37 O ATOM 756 CB MET A 51 1.262 -8.252 0.045 1.00 0.36 C ATOM 757 CG MET A 51 1.190 -9.099 1.317 1.00 0.63 C ATOM 758 SD MET A 51 -0.056 -8.447 2.416 1.00 1.30 S ATOM 759 CE MET A 51 -1.444 -9.469 1.954 1.00 2.53 C ATOM 0 H MET A 51 2.813 -9.890 -0.927 1.00 0.32 H new ATOM 0 HA MET A 51 -0.029 -9.628 -1.007 1.00 0.34 H new ATOM 0 HB2 MET A 51 2.267 -7.847 -0.070 1.00 0.36 H new ATOM 0 HB3 MET A 51 0.584 -7.403 0.130 1.00 0.36 H new ATOM 0 HG2 MET A 51 0.957 -10.133 1.062 1.00 0.63 H new ATOM 0 HG3 MET A 51 2.159 -9.104 1.815 1.00 0.63 H new ATOM 0 HE1 MET A 51 -2.194 -9.443 2.744 1.00 2.53 H new ATOM 0 HE2 MET A 51 -1.879 -9.094 1.028 1.00 2.53 H new ATOM 0 HE3 MET A 51 -1.107 -10.495 1.808 1.00 2.53 H new ATOM 769 N ILE A 52 1.750 -7.447 -2.739 1.00 0.28 N ATOM 770 CA ILE A 52 1.695 -6.523 -3.859 1.00 0.29 C ATOM 771 C ILE A 52 1.060 -7.224 -5.062 1.00 0.31 C ATOM 772 O ILE A 52 0.181 -6.666 -5.717 1.00 0.33 O ATOM 773 CB ILE A 52 3.083 -5.945 -4.146 1.00 0.27 C ATOM 774 CG1 ILE A 52 4.058 -7.046 -4.569 1.00 0.26 C ATOM 775 CG2 ILE A 52 3.603 -5.148 -2.948 1.00 0.37 C ATOM 776 CD1 ILE A 52 4.007 -7.272 -6.081 1.00 0.32 C ATOM 0 H ILE A 52 2.655 -7.496 -2.270 1.00 0.28 H new ATOM 0 HA ILE A 52 1.063 -5.668 -3.617 1.00 0.29 H new ATOM 0 HB ILE A 52 2.998 -5.251 -4.982 1.00 0.27 H new ATOM 0 HG12 ILE A 52 5.071 -6.773 -4.272 1.00 0.26 H new ATOM 0 HG13 ILE A 52 3.813 -7.973 -4.051 1.00 0.26 H new ATOM 0 HG21 ILE A 52 4.591 -4.748 -3.178 1.00 0.37 H new ATOM 0 HG22 ILE A 52 2.920 -4.326 -2.733 1.00 0.37 H new ATOM 0 HG23 ILE A 52 3.670 -5.801 -2.078 1.00 0.37 H new ATOM 0 HD11 ILE A 52 4.709 -8.059 -6.355 1.00 0.32 H new ATOM 0 HD12 ILE A 52 2.999 -7.568 -6.371 1.00 0.32 H new ATOM 0 HD13 ILE A 52 4.277 -6.350 -6.596 1.00 0.32 H new ATOM 788 N ASN A 53 1.531 -8.436 -5.316 1.00 0.35 N ATOM 789 CA ASN A 53 1.020 -9.219 -6.429 1.00 0.38 C ATOM 790 C ASN A 53 -0.487 -9.418 -6.257 1.00 0.36 C ATOM 791 O ASN A 53 -1.229 -9.444 -7.238 1.00 0.37 O ATOM 792 CB ASN A 53 1.677 -10.599 -6.478 1.00 0.46 C ATOM 793 CG ASN A 53 2.670 -10.693 -7.638 1.00 1.32 C ATOM 794 OD1 ASN A 53 2.471 -10.138 -8.706 1.00 1.76 O ATOM 795 ND2 ASN A 53 3.749 -11.423 -7.369 1.00 2.10 N ATOM 0 H ASN A 53 2.261 -8.895 -4.771 1.00 0.35 H new ATOM 0 HA ASN A 53 1.242 -8.681 -7.351 1.00 0.38 H new ATOM 0 HB2 ASN A 53 2.192 -10.794 -5.537 1.00 0.46 H new ATOM 0 HB3 ASN A 53 0.911 -11.367 -6.587 1.00 0.46 H new ATOM 0 HD21 ASN A 53 4.472 -11.545 -8.078 1.00 2.10 H new ATOM 0 HD22 ASN A 53 3.853 -11.861 -6.454 1.00 2.10 H new ATOM 802 N GLU A 54 -0.895 -9.554 -5.004 1.00 0.36 N ATOM 803 CA GLU A 54 -2.300 -9.750 -4.691 1.00 0.38 C ATOM 804 C GLU A 54 -3.085 -8.460 -4.940 1.00 0.36 C ATOM 805 O GLU A 54 -4.007 -8.437 -5.753 1.00 0.38 O ATOM 806 CB GLU A 54 -2.479 -10.231 -3.250 1.00 0.43 C ATOM 807 CG GLU A 54 -3.961 -10.405 -2.910 1.00 0.43 C ATOM 808 CD GLU A 54 -4.401 -11.858 -3.102 1.00 0.70 C ATOM 809 OE1 GLU A 54 -3.959 -12.697 -2.288 1.00 1.61 O ATOM 810 OE2 GLU A 54 -5.169 -12.096 -4.058 1.00 1.68 O ATOM 0 H GLU A 54 -0.277 -9.532 -4.193 1.00 0.36 H new ATOM 0 HA GLU A 54 -2.694 -10.524 -5.349 1.00 0.38 H new ATOM 0 HB2 GLU A 54 -1.957 -11.178 -3.111 1.00 0.43 H new ATOM 0 HB3 GLU A 54 -2.027 -9.514 -2.565 1.00 0.43 H new ATOM 0 HG2 GLU A 54 -4.139 -10.101 -1.879 1.00 0.43 H new ATOM 0 HG3 GLU A 54 -4.562 -9.753 -3.543 1.00 0.43 H new ATOM 817 N VAL A 55 -2.689 -7.418 -4.224 1.00 0.33 N ATOM 818 CA VAL A 55 -3.344 -6.127 -4.356 1.00 0.34 C ATOM 819 C VAL A 55 -3.243 -5.656 -5.809 1.00 0.35 C ATOM 820 O VAL A 55 -4.101 -4.915 -6.286 1.00 0.56 O ATOM 821 CB VAL A 55 -2.744 -5.131 -3.362 1.00 0.33 C ATOM 822 CG1 VAL A 55 -2.631 -5.751 -1.967 1.00 0.39 C ATOM 823 CG2 VAL A 55 -1.386 -4.622 -3.847 1.00 0.31 C ATOM 0 H VAL A 55 -1.923 -7.441 -3.551 1.00 0.33 H new ATOM 0 HA VAL A 55 -4.403 -6.209 -4.113 1.00 0.34 H new ATOM 0 HB VAL A 55 -3.417 -4.276 -3.296 1.00 0.33 H new ATOM 0 HG11 VAL A 55 -2.202 -5.023 -1.279 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -3.621 -6.041 -1.617 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -1.989 -6.631 -2.011 1.00 0.39 H new ATOM 0 HG21 VAL A 55 -0.982 -3.916 -3.122 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -0.700 -5.462 -3.956 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -1.506 -4.125 -4.809 1.00 0.31 H new ATOM 833 N ASP A 56 -2.186 -6.105 -6.471 1.00 0.40 N ATOM 834 CA ASP A 56 -1.962 -5.738 -7.859 1.00 0.43 C ATOM 835 C ASP A 56 -3.082 -6.320 -8.723 1.00 0.39 C ATOM 836 O ASP A 56 -3.141 -7.530 -8.936 1.00 0.43 O ATOM 837 CB ASP A 56 -0.632 -6.298 -8.368 1.00 0.54 C ATOM 838 CG ASP A 56 -0.332 -6.013 -9.841 1.00 0.64 C ATOM 839 OD1 ASP A 56 -0.209 -4.814 -10.173 1.00 0.62 O ATOM 840 OD2 ASP A 56 -0.233 -7.000 -10.601 1.00 0.97 O ATOM 0 H ASP A 56 -1.476 -6.719 -6.072 1.00 0.40 H new ATOM 0 HA ASP A 56 -1.943 -4.650 -7.922 1.00 0.43 H new ATOM 0 HB2 ASP A 56 0.175 -5.885 -7.762 1.00 0.54 H new ATOM 0 HB3 ASP A 56 -0.626 -7.377 -8.214 1.00 0.54 H new ATOM 845 N ALA A 57 -3.943 -5.432 -9.197 1.00 0.42 N ATOM 846 CA ALA A 57 -5.058 -5.842 -10.033 1.00 0.46 C ATOM 847 C ALA A 57 -4.738 -5.522 -11.495 1.00 0.48 C ATOM 848 O ALA A 57 -4.829 -6.392 -12.359 1.00 0.51 O ATOM 849 CB ALA A 57 -6.337 -5.155 -9.552 1.00 0.55 C ATOM 0 H ALA A 57 -3.891 -4.429 -9.018 1.00 0.42 H new ATOM 0 HA ALA A 57 -5.219 -6.918 -9.958 1.00 0.46 H new ATOM 0 HB1 ALA A 57 -7.173 -5.463 -10.179 1.00 0.55 H new ATOM 0 HB2 ALA A 57 -6.535 -5.438 -8.518 1.00 0.55 H new ATOM 0 HB3 ALA A 57 -6.215 -4.074 -9.615 1.00 0.55 H new ATOM 855 N ASP A 58 -4.371 -4.270 -11.726 1.00 0.52 N ATOM 856 CA ASP A 58 -4.037 -3.824 -13.068 1.00 0.57 C ATOM 857 C ASP A 58 -3.228 -4.912 -13.777 1.00 0.54 C ATOM 858 O ASP A 58 -3.301 -5.050 -14.997 1.00 0.61 O ATOM 859 CB ASP A 58 -3.188 -2.552 -13.031 1.00 0.66 C ATOM 860 CG ASP A 58 -2.243 -2.441 -11.833 1.00 0.98 C ATOM 861 OD1 ASP A 58 -1.457 -3.394 -11.639 1.00 1.72 O ATOM 862 OD2 ASP A 58 -2.327 -1.406 -11.138 1.00 2.03 O ATOM 0 H ASP A 58 -4.298 -3.551 -11.007 1.00 0.52 H new ATOM 0 HA ASP A 58 -4.968 -3.621 -13.596 1.00 0.57 H new ATOM 0 HB2 ASP A 58 -2.598 -2.500 -13.946 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -3.853 -1.689 -13.031 1.00 0.66 H new ATOM 867 N GLY A 59 -2.476 -5.658 -12.981 1.00 0.52 N ATOM 868 CA GLY A 59 -1.654 -6.730 -13.517 1.00 0.59 C ATOM 869 C GLY A 59 -0.257 -6.221 -13.879 1.00 0.65 C ATOM 870 O GLY A 59 -0.049 -5.692 -14.969 1.00 0.90 O ATOM 0 H GLY A 59 -2.419 -5.541 -11.969 1.00 0.52 H new ATOM 0 HA2 GLY A 59 -1.574 -7.533 -12.784 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -2.132 -7.152 -14.401 1.00 0.59 H new ATOM 874 N ASP A 60 0.663 -6.400 -12.943 1.00 0.50 N ATOM 875 CA ASP A 60 2.035 -5.966 -13.149 1.00 0.58 C ATOM 876 C ASP A 60 2.879 -6.366 -11.938 1.00 0.54 C ATOM 877 O ASP A 60 3.844 -7.117 -12.070 1.00 0.66 O ATOM 878 CB ASP A 60 2.114 -4.445 -13.300 1.00 0.65 C ATOM 879 CG ASP A 60 0.884 -3.681 -12.806 1.00 0.97 C ATOM 880 OD1 ASP A 60 -0.084 -3.595 -13.593 1.00 2.54 O ATOM 881 OD2 ASP A 60 0.938 -3.201 -11.654 1.00 1.02 O ATOM 0 H ASP A 60 0.486 -6.840 -12.040 1.00 0.50 H new ATOM 0 HA ASP A 60 2.406 -6.438 -14.059 1.00 0.58 H new ATOM 0 HB2 ASP A 60 2.988 -4.086 -12.757 1.00 0.65 H new ATOM 0 HB3 ASP A 60 2.272 -4.207 -14.352 1.00 0.65 H new ATOM 886 N GLY A 61 2.486 -5.846 -10.784 1.00 0.45 N ATOM 887 CA GLY A 61 3.195 -6.139 -9.551 1.00 0.45 C ATOM 888 C GLY A 61 3.568 -4.851 -8.813 1.00 0.59 C ATOM 889 O GLY A 61 4.688 -4.714 -8.324 1.00 1.25 O ATOM 0 H GLY A 61 1.685 -5.223 -10.678 1.00 0.45 H new ATOM 0 HA2 GLY A 61 2.573 -6.763 -8.909 1.00 0.45 H new ATOM 0 HA3 GLY A 61 4.097 -6.709 -9.773 1.00 0.45 H new ATOM 893 N THR A 62 2.608 -3.940 -8.756 1.00 0.43 N ATOM 894 CA THR A 62 2.821 -2.669 -8.086 1.00 0.43 C ATOM 895 C THR A 62 1.549 -2.229 -7.359 1.00 0.34 C ATOM 896 O THR A 62 0.483 -2.809 -7.559 1.00 0.33 O ATOM 897 CB THR A 62 3.303 -1.660 -9.130 1.00 0.59 C ATOM 898 OG1 THR A 62 4.373 -2.330 -9.792 1.00 0.74 O ATOM 899 CG2 THR A 62 3.966 -0.434 -8.498 1.00 0.64 C ATOM 0 H THR A 62 1.680 -4.057 -9.163 1.00 0.43 H new ATOM 0 HA THR A 62 3.586 -2.752 -7.314 1.00 0.43 H new ATOM 0 HB THR A 62 2.460 -1.341 -9.743 1.00 0.59 H new ATOM 0 HG1 THR A 62 4.744 -1.747 -10.487 1.00 0.74 H new ATOM 0 HG21 THR A 62 4.290 0.250 -9.283 1.00 0.64 H new ATOM 0 HG22 THR A 62 3.252 0.071 -7.848 1.00 0.64 H new ATOM 0 HG23 THR A 62 4.830 -0.749 -7.912 1.00 0.64 H new ATOM 907 N ILE A 63 1.703 -1.208 -6.529 1.00 0.44 N ATOM 908 CA ILE A 63 0.581 -0.683 -5.771 1.00 0.39 C ATOM 909 C ILE A 63 0.167 0.671 -6.350 1.00 0.43 C ATOM 910 O ILE A 63 0.869 1.230 -7.192 1.00 0.68 O ATOM 911 CB ILE A 63 0.916 -0.638 -4.279 1.00 0.43 C ATOM 912 CG1 ILE A 63 1.534 -1.958 -3.815 1.00 0.45 C ATOM 913 CG2 ILE A 63 -0.313 -0.257 -3.451 1.00 0.50 C ATOM 914 CD1 ILE A 63 1.544 -2.053 -2.288 1.00 0.56 C ATOM 0 H ILE A 63 2.589 -0.730 -6.365 1.00 0.44 H new ATOM 0 HA ILE A 63 -0.281 -1.344 -5.860 1.00 0.39 H new ATOM 0 HB ILE A 63 1.663 0.140 -4.121 1.00 0.43 H new ATOM 0 HG12 ILE A 63 0.971 -2.793 -4.231 1.00 0.45 H new ATOM 0 HG13 ILE A 63 2.553 -2.040 -4.195 1.00 0.45 H new ATOM 0 HG21 ILE A 63 -0.047 -0.233 -2.394 1.00 0.50 H new ATOM 0 HG22 ILE A 63 -0.668 0.727 -3.759 1.00 0.50 H new ATOM 0 HG23 ILE A 63 -1.101 -0.993 -3.609 1.00 0.50 H new ATOM 0 HD11 ILE A 63 1.989 -3.001 -1.985 1.00 0.56 H new ATOM 0 HD12 ILE A 63 2.128 -1.230 -1.876 1.00 0.56 H new ATOM 0 HD13 ILE A 63 0.522 -1.995 -1.913 1.00 0.56 H new ATOM 926 N ASP A 64 -0.969 1.160 -5.875 1.00 0.39 N ATOM 927 CA ASP A 64 -1.484 2.438 -6.335 1.00 0.43 C ATOM 928 C ASP A 64 -2.494 2.972 -5.318 1.00 0.42 C ATOM 929 O ASP A 64 -2.924 2.245 -4.424 1.00 0.53 O ATOM 930 CB ASP A 64 -2.199 2.292 -7.680 1.00 0.46 C ATOM 931 CG ASP A 64 -2.259 3.568 -8.522 1.00 1.41 C ATOM 932 OD1 ASP A 64 -1.327 4.388 -8.378 1.00 2.41 O ATOM 933 OD2 ASP A 64 -3.237 3.695 -9.291 1.00 2.44 O ATOM 0 H ASP A 64 -1.547 0.694 -5.176 1.00 0.39 H new ATOM 0 HA ASP A 64 -0.641 3.120 -6.447 1.00 0.43 H new ATOM 0 HB2 ASP A 64 -1.698 1.516 -8.259 1.00 0.46 H new ATOM 0 HB3 ASP A 64 -3.217 1.947 -7.498 1.00 0.46 H new ATOM 938 N PHE A 65 -2.844 4.239 -5.488 1.00 0.40 N ATOM 939 CA PHE A 65 -3.796 4.879 -4.596 1.00 0.43 C ATOM 940 C PHE A 65 -5.085 4.062 -4.493 1.00 0.42 C ATOM 941 O PHE A 65 -5.538 3.746 -3.394 1.00 0.43 O ATOM 942 CB PHE A 65 -4.120 6.249 -5.196 1.00 0.48 C ATOM 943 CG PHE A 65 -3.859 7.421 -4.247 1.00 0.67 C ATOM 944 CD1 PHE A 65 -4.203 7.323 -2.935 1.00 0.47 C ATOM 945 CD2 PHE A 65 -3.283 8.560 -4.717 1.00 1.74 C ATOM 946 CE1 PHE A 65 -3.961 8.411 -2.055 1.00 0.39 C ATOM 947 CE2 PHE A 65 -3.041 9.648 -3.837 1.00 1.99 C ATOM 948 CZ PHE A 65 -3.385 9.550 -2.525 1.00 1.13 C ATOM 0 H PHE A 65 -2.485 4.839 -6.230 1.00 0.40 H new ATOM 0 HA PHE A 65 -3.371 4.964 -3.596 1.00 0.43 H new ATOM 0 HB2 PHE A 65 -3.527 6.388 -6.100 1.00 0.48 H new ATOM 0 HB3 PHE A 65 -5.168 6.264 -5.496 1.00 0.48 H new ATOM 0 HD1 PHE A 65 -4.660 6.418 -2.562 1.00 0.47 H new ATOM 0 HD2 PHE A 65 -3.010 8.637 -5.759 1.00 1.74 H new ATOM 0 HE1 PHE A 65 -4.234 8.334 -1.013 1.00 0.39 H new ATOM 0 HE2 PHE A 65 -2.584 10.553 -4.210 1.00 1.99 H new ATOM 0 HZ PHE A 65 -3.201 10.377 -1.856 1.00 1.13 H new ATOM 958 N PRO A 66 -5.655 3.736 -5.684 1.00 0.45 N ATOM 959 CA PRO A 66 -6.884 2.962 -5.738 1.00 0.50 C ATOM 960 C PRO A 66 -6.619 1.489 -5.422 1.00 0.50 C ATOM 961 O PRO A 66 -7.495 0.792 -4.912 1.00 0.64 O ATOM 962 CB PRO A 66 -7.424 3.180 -7.142 1.00 0.57 C ATOM 963 CG PRO A 66 -6.251 3.684 -7.967 1.00 0.55 C ATOM 964 CD PRO A 66 -5.147 4.093 -7.005 1.00 0.48 C ATOM 0 HA PRO A 66 -7.613 3.277 -4.991 1.00 0.50 H new ATOM 0 HB2 PRO A 66 -7.822 2.253 -7.555 1.00 0.57 H new ATOM 0 HB3 PRO A 66 -8.239 3.904 -7.139 1.00 0.57 H new ATOM 0 HG2 PRO A 66 -5.898 2.906 -8.644 1.00 0.55 H new ATOM 0 HG3 PRO A 66 -6.553 4.531 -8.583 1.00 0.55 H new ATOM 0 HD2 PRO A 66 -4.216 3.571 -7.226 1.00 0.48 H new ATOM 0 HD3 PRO A 66 -4.938 5.160 -7.073 1.00 0.48 H new ATOM 972 N GLU A 67 -5.406 1.058 -5.737 1.00 0.43 N ATOM 973 CA GLU A 67 -5.014 -0.320 -5.493 1.00 0.44 C ATOM 974 C GLU A 67 -4.869 -0.572 -3.991 1.00 0.40 C ATOM 975 O GLU A 67 -5.499 -1.477 -3.446 1.00 0.47 O ATOM 976 CB GLU A 67 -3.720 -0.661 -6.234 1.00 0.44 C ATOM 977 CG GLU A 67 -4.009 -1.088 -7.675 1.00 0.41 C ATOM 978 CD GLU A 67 -2.729 -1.543 -8.379 1.00 0.39 C ATOM 979 OE1 GLU A 67 -1.716 -0.825 -8.235 1.00 1.52 O ATOM 980 OE2 GLU A 67 -2.793 -2.599 -9.045 1.00 1.52 O ATOM 0 H GLU A 67 -4.682 1.639 -6.159 1.00 0.43 H new ATOM 0 HA GLU A 67 -5.797 -0.974 -5.877 1.00 0.44 H new ATOM 0 HB2 GLU A 67 -3.058 0.205 -6.233 1.00 0.44 H new ATOM 0 HB3 GLU A 67 -3.198 -1.462 -5.711 1.00 0.44 H new ATOM 0 HG2 GLU A 67 -4.738 -1.898 -7.679 1.00 0.41 H new ATOM 0 HG3 GLU A 67 -4.454 -0.257 -8.222 1.00 0.41 H new ATOM 987 N PHE A 68 -4.034 0.244 -3.364 1.00 0.35 N ATOM 988 CA PHE A 68 -3.798 0.121 -1.936 1.00 0.34 C ATOM 989 C PHE A 68 -5.105 0.249 -1.151 1.00 0.33 C ATOM 990 O PHE A 68 -5.400 -0.578 -0.290 1.00 0.41 O ATOM 991 CB PHE A 68 -2.863 1.265 -1.536 1.00 0.34 C ATOM 992 CG PHE A 68 -1.921 0.923 -0.380 1.00 0.54 C ATOM 993 CD1 PHE A 68 -1.329 -0.300 -0.324 1.00 1.32 C ATOM 994 CD2 PHE A 68 -1.675 1.843 0.591 1.00 0.30 C ATOM 995 CE1 PHE A 68 -0.455 -0.616 0.749 1.00 1.64 C ATOM 996 CE2 PHE A 68 -0.801 1.527 1.664 1.00 0.43 C ATOM 997 CZ PHE A 68 -0.209 0.304 1.720 1.00 1.15 C ATOM 0 H PHE A 68 -3.513 0.993 -3.819 1.00 0.35 H new ATOM 0 HA PHE A 68 -3.366 -0.855 -1.714 1.00 0.34 H new ATOM 0 HB2 PHE A 68 -2.268 1.554 -2.402 1.00 0.34 H new ATOM 0 HB3 PHE A 68 -3.463 2.131 -1.258 1.00 0.34 H new ATOM 0 HD1 PHE A 68 -1.524 -1.030 -1.095 1.00 1.32 H new ATOM 0 HD2 PHE A 68 -2.145 2.814 0.546 1.00 0.30 H new ATOM 0 HE1 PHE A 68 0.015 -1.587 0.794 1.00 1.64 H new ATOM 0 HE2 PHE A 68 -0.606 2.257 2.435 1.00 0.43 H new ATOM 0 HZ PHE A 68 0.457 0.063 2.536 1.00 1.15 H new ATOM 1007 N LEU A 69 -5.854 1.292 -1.477 1.00 0.37 N ATOM 1008 CA LEU A 69 -7.123 1.539 -0.813 1.00 0.39 C ATOM 1009 C LEU A 69 -7.848 0.209 -0.598 1.00 0.34 C ATOM 1010 O LEU A 69 -8.348 -0.060 0.494 1.00 0.36 O ATOM 1011 CB LEU A 69 -7.944 2.569 -1.592 1.00 0.54 C ATOM 1012 CG LEU A 69 -8.538 3.714 -0.770 1.00 1.86 C ATOM 1013 CD1 LEU A 69 -9.003 4.856 -1.677 1.00 2.77 C ATOM 1014 CD2 LEU A 69 -9.660 3.212 0.140 1.00 2.80 C ATOM 0 H LEU A 69 -5.607 1.976 -2.192 1.00 0.37 H new ATOM 0 HA LEU A 69 -6.959 1.976 0.172 1.00 0.39 H new ATOM 0 HB2 LEU A 69 -7.310 2.997 -2.369 1.00 0.54 H new ATOM 0 HB3 LEU A 69 -8.759 2.049 -2.096 1.00 0.54 H new ATOM 0 HG LEU A 69 -7.755 4.113 -0.125 1.00 1.86 H new ATOM 0 HD11 LEU A 69 -9.421 5.657 -1.068 1.00 2.77 H new ATOM 0 HD12 LEU A 69 -8.155 5.237 -2.246 1.00 2.77 H new ATOM 0 HD13 LEU A 69 -9.765 4.488 -2.364 1.00 2.77 H new ATOM 0 HD21 LEU A 69 -10.065 4.046 0.713 1.00 2.80 H new ATOM 0 HD22 LEU A 69 -10.451 2.771 -0.467 1.00 2.80 H new ATOM 0 HD23 LEU A 69 -9.265 2.460 0.823 1.00 2.80 H new ATOM 1026 N THR A 70 -7.883 -0.587 -1.656 1.00 0.38 N ATOM 1027 CA THR A 70 -8.539 -1.882 -1.597 1.00 0.43 C ATOM 1028 C THR A 70 -7.816 -2.802 -0.611 1.00 0.40 C ATOM 1029 O THR A 70 -8.453 -3.469 0.202 1.00 0.48 O ATOM 1030 CB THR A 70 -8.604 -2.445 -3.018 1.00 0.55 C ATOM 1031 OG1 THR A 70 -9.631 -1.683 -3.647 1.00 0.65 O ATOM 1032 CG2 THR A 70 -9.129 -3.881 -3.056 1.00 0.65 C ATOM 0 H THR A 70 -7.468 -0.360 -2.560 1.00 0.38 H new ATOM 0 HA THR A 70 -9.558 -1.792 -1.221 1.00 0.43 H new ATOM 0 HB THR A 70 -7.612 -2.410 -3.467 1.00 0.55 H new ATOM 0 HG1 THR A 70 -9.739 -1.982 -4.574 1.00 0.65 H new ATOM 0 HG21 THR A 70 -9.155 -4.232 -4.088 1.00 0.65 H new ATOM 0 HG22 THR A 70 -8.472 -4.524 -2.470 1.00 0.65 H new ATOM 0 HG23 THR A 70 -10.135 -3.912 -2.637 1.00 0.65 H new ATOM 1040 N MET A 71 -6.495 -2.807 -0.716 1.00 0.38 N ATOM 1041 CA MET A 71 -5.678 -3.633 0.156 1.00 0.41 C ATOM 1042 C MET A 71 -6.008 -3.371 1.627 1.00 0.44 C ATOM 1043 O MET A 71 -6.425 -4.278 2.344 1.00 0.51 O ATOM 1044 CB MET A 71 -4.199 -3.336 -0.097 1.00 0.44 C ATOM 1045 CG MET A 71 -3.309 -4.125 0.865 1.00 0.48 C ATOM 1046 SD MET A 71 -3.761 -5.851 0.839 1.00 2.68 S ATOM 1047 CE MET A 71 -2.990 -6.397 2.354 1.00 2.70 C ATOM 0 H MET A 71 -5.970 -2.252 -1.392 1.00 0.38 H new ATOM 0 HA MET A 71 -5.890 -4.680 -0.063 1.00 0.41 H new ATOM 0 HB2 MET A 71 -3.944 -3.591 -1.126 1.00 0.44 H new ATOM 0 HB3 MET A 71 -4.013 -2.269 0.023 1.00 0.44 H new ATOM 0 HG2 MET A 71 -2.263 -4.010 0.582 1.00 0.48 H new ATOM 0 HG3 MET A 71 -3.411 -3.729 1.875 1.00 0.48 H new ATOM 0 HE1 MET A 71 -3.306 -7.416 2.576 1.00 2.70 H new ATOM 0 HE2 MET A 71 -1.906 -6.370 2.241 1.00 2.70 H new ATOM 0 HE3 MET A 71 -3.286 -5.739 3.171 1.00 2.70 H new ATOM 1057 N MET A 72 -5.807 -2.126 2.032 1.00 0.43 N ATOM 1058 CA MET A 72 -6.078 -1.732 3.404 1.00 0.49 C ATOM 1059 C MET A 72 -7.540 -1.994 3.771 1.00 0.50 C ATOM 1060 O MET A 72 -7.825 -2.744 4.704 1.00 0.58 O ATOM 1061 CB MET A 72 -5.766 -0.245 3.580 1.00 0.54 C ATOM 1062 CG MET A 72 -4.426 -0.046 4.293 1.00 1.38 C ATOM 1063 SD MET A 72 -4.681 0.042 6.057 1.00 2.06 S ATOM 1064 CE MET A 72 -3.172 0.860 6.548 1.00 2.96 C ATOM 0 H MET A 72 -5.459 -1.376 1.434 1.00 0.43 H new ATOM 0 HA MET A 72 -5.445 -2.325 4.064 1.00 0.49 H new ATOM 0 HB2 MET A 72 -5.739 0.242 2.605 1.00 0.54 H new ATOM 0 HB3 MET A 72 -6.561 0.232 4.153 1.00 0.54 H new ATOM 0 HG2 MET A 72 -3.752 -0.869 4.055 1.00 1.38 H new ATOM 0 HG3 MET A 72 -3.949 0.868 3.940 1.00 1.38 H new ATOM 0 HE1 MET A 72 -3.167 0.995 7.630 1.00 2.96 H new ATOM 0 HE2 MET A 72 -2.316 0.252 6.254 1.00 2.96 H new ATOM 0 HE3 MET A 72 -3.110 1.833 6.061 1.00 2.96 H new ATOM 1074 N ALA A 73 -8.428 -1.361 3.019 1.00 0.48 N ATOM 1075 CA ALA A 73 -9.854 -1.516 3.254 1.00 0.55 C ATOM 1076 C ALA A 73 -10.176 -2.999 3.449 1.00 0.62 C ATOM 1077 O ALA A 73 -10.763 -3.383 4.459 1.00 0.71 O ATOM 1078 CB ALA A 73 -10.633 -0.898 2.091 1.00 0.57 C ATOM 0 H ALA A 73 -8.188 -0.740 2.246 1.00 0.48 H new ATOM 0 HA ALA A 73 -10.153 -0.992 4.162 1.00 0.55 H new ATOM 0 HB1 ALA A 73 -11.702 -1.014 2.267 1.00 0.57 H new ATOM 0 HB2 ALA A 73 -10.391 0.162 2.013 1.00 0.57 H new ATOM 0 HB3 ALA A 73 -10.361 -1.401 1.163 1.00 0.57 H new ATOM 1084 N ARG A 74 -9.777 -3.793 2.466 1.00 0.60 N ATOM 1085 CA ARG A 74 -10.016 -5.225 2.516 1.00 0.70 C ATOM 1086 C ARG A 74 -9.306 -5.839 3.725 1.00 0.73 C ATOM 1087 O ARG A 74 -9.788 -6.811 4.304 1.00 0.85 O ATOM 1088 CB ARG A 74 -9.522 -5.911 1.241 1.00 0.70 C ATOM 1089 CG ARG A 74 -10.456 -5.620 0.065 1.00 0.73 C ATOM 1090 CD ARG A 74 -11.672 -6.549 0.087 1.00 1.19 C ATOM 1091 NE ARG A 74 -12.248 -6.660 -1.272 1.00 1.72 N ATOM 1092 CZ ARG A 74 -13.028 -7.672 -1.677 1.00 2.42 C ATOM 1093 NH1 ARG A 74 -13.328 -8.666 -0.831 1.00 3.12 N ATOM 1094 NH2 ARG A 74 -13.507 -7.690 -2.928 1.00 3.28 N ATOM 0 H ARG A 74 -9.289 -3.471 1.630 1.00 0.60 H new ATOM 0 HA ARG A 74 -11.091 -5.379 2.604 1.00 0.70 H new ATOM 0 HB2 ARG A 74 -8.515 -5.566 1.005 1.00 0.70 H new ATOM 0 HB3 ARG A 74 -9.460 -6.987 1.403 1.00 0.70 H new ATOM 0 HG2 ARG A 74 -10.786 -4.582 0.107 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -9.915 -5.745 -0.873 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -11.380 -7.535 0.449 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -12.422 -6.164 0.778 1.00 1.19 H new ATOM 0 HE ARG A 74 -12.038 -5.920 -1.942 1.00 1.72 H new ATOM 0 HH11 ARG A 74 -12.963 -8.653 0.121 1.00 3.12 H new ATOM 0 HH12 ARG A 74 -13.922 -9.436 -1.139 1.00 3.12 H new ATOM 0 HH21 ARG A 74 -13.278 -6.933 -3.573 1.00 3.28 H new ATOM 0 HH22 ARG A 74 -14.101 -8.460 -3.236 1.00 3.28 H new ATOM 1108 N LYS A 75 -8.173 -5.246 4.070 1.00 0.66 N ATOM 1109 CA LYS A 75 -7.392 -5.722 5.199 1.00 0.73 C ATOM 1110 C LYS A 75 -8.241 -5.642 6.470 1.00 0.85 C ATOM 1111 O LYS A 75 -8.488 -6.657 7.120 1.00 1.00 O ATOM 1112 CB LYS A 75 -6.068 -4.962 5.294 1.00 0.73 C ATOM 1113 CG LYS A 75 -5.077 -5.697 6.198 1.00 0.84 C ATOM 1114 CD LYS A 75 -4.538 -6.954 5.512 1.00 1.43 C ATOM 1115 CE LYS A 75 -5.277 -8.203 5.995 1.00 1.51 C ATOM 1116 NZ LYS A 75 -4.350 -9.354 6.080 1.00 2.15 N ATOM 0 H LYS A 75 -7.777 -4.440 3.587 1.00 0.66 H new ATOM 0 HA LYS A 75 -7.121 -6.769 5.061 1.00 0.73 H new ATOM 0 HB2 LYS A 75 -5.640 -4.845 4.299 1.00 0.73 H new ATOM 0 HB3 LYS A 75 -6.247 -3.960 5.684 1.00 0.73 H new ATOM 0 HG2 LYS A 75 -4.250 -5.034 6.452 1.00 0.84 H new ATOM 0 HG3 LYS A 75 -5.566 -5.970 7.133 1.00 0.84 H new ATOM 0 HD2 LYS A 75 -4.647 -6.858 4.432 1.00 1.43 H new ATOM 0 HD3 LYS A 75 -3.472 -7.056 5.717 1.00 1.43 H new ATOM 0 HE2 LYS A 75 -5.722 -8.014 6.972 1.00 1.51 H new ATOM 0 HE3 LYS A 75 -6.094 -8.436 5.312 1.00 1.51 H new ATOM 0 HZ1 LYS A 75 -4.868 -10.193 6.409 1.00 2.15 H new ATOM 0 HZ2 LYS A 75 -3.945 -9.544 5.141 1.00 2.15 H new ATOM 0 HZ3 LYS A 75 -3.585 -9.135 6.749 1.00 2.15 H new ATOM 1130 N MET A 76 -8.663 -4.427 6.785 1.00 0.89 N ATOM 1131 CA MET A 76 -9.478 -4.201 7.967 1.00 1.08 C ATOM 1132 C MET A 76 -10.786 -4.991 7.889 1.00 1.29 C ATOM 1133 O MET A 76 -11.430 -5.234 8.909 1.00 1.66 O ATOM 1134 CB MET A 76 -9.790 -2.709 8.094 1.00 1.26 C ATOM 1135 CG MET A 76 -10.711 -2.242 6.965 1.00 1.96 C ATOM 1136 SD MET A 76 -11.847 -1.008 7.574 1.00 2.50 S ATOM 1137 CE MET A 76 -12.983 -0.927 6.200 1.00 4.78 C ATOM 0 H MET A 76 -8.456 -3.588 6.243 1.00 0.89 H new ATOM 0 HA MET A 76 -8.921 -4.540 8.840 1.00 1.08 H new ATOM 0 HB2 MET A 76 -10.262 -2.513 9.057 1.00 1.26 H new ATOM 0 HB3 MET A 76 -8.862 -2.137 8.071 1.00 1.26 H new ATOM 0 HG2 MET A 76 -10.118 -1.831 6.148 1.00 1.96 H new ATOM 0 HG3 MET A 76 -11.264 -3.090 6.562 1.00 1.96 H new ATOM 0 HE1 MET A 76 -13.992 -0.750 6.572 1.00 4.78 H new ATOM 0 HE2 MET A 76 -12.693 -0.113 5.536 1.00 4.78 H new ATOM 0 HE3 MET A 76 -12.959 -1.869 5.652 1.00 4.78 H new ATOM 1147 N LYS A 77 -11.139 -5.371 6.670 1.00 1.15 N ATOM 1148 CA LYS A 77 -12.359 -6.129 6.447 1.00 1.36 C ATOM 1149 C LYS A 77 -12.289 -7.442 7.229 1.00 1.60 C ATOM 1150 O LYS A 77 -13.152 -7.720 8.060 1.00 2.02 O ATOM 1151 CB LYS A 77 -12.605 -6.319 4.949 1.00 1.20 C ATOM 1152 CG LYS A 77 -14.092 -6.537 4.660 1.00 1.29 C ATOM 1153 CD LYS A 77 -14.868 -5.222 4.759 1.00 2.26 C ATOM 1154 CE LYS A 77 -14.574 -4.320 3.559 1.00 2.37 C ATOM 1155 NZ LYS A 77 -15.715 -4.324 2.616 1.00 2.81 N ATOM 0 H LYS A 77 -10.602 -5.168 5.827 1.00 1.15 H new ATOM 0 HA LYS A 77 -13.222 -5.579 6.822 1.00 1.36 H new ATOM 0 HB2 LYS A 77 -12.250 -5.444 4.405 1.00 1.20 H new ATOM 0 HB3 LYS A 77 -12.032 -7.173 4.588 1.00 1.20 H new ATOM 0 HG2 LYS A 77 -14.214 -6.961 3.663 1.00 1.29 H new ATOM 0 HG3 LYS A 77 -14.501 -7.259 5.366 1.00 1.29 H new ATOM 0 HD2 LYS A 77 -15.937 -5.429 4.809 1.00 2.26 H new ATOM 0 HD3 LYS A 77 -14.600 -4.706 5.681 1.00 2.26 H new ATOM 0 HE2 LYS A 77 -14.380 -3.303 3.900 1.00 2.37 H new ATOM 0 HE3 LYS A 77 -13.673 -4.663 3.051 1.00 2.37 H new ATOM 0 HZ1 LYS A 77 -15.499 -3.707 1.807 1.00 2.81 H new ATOM 0 HZ2 LYS A 77 -15.882 -5.293 2.277 1.00 2.81 H new ATOM 0 HZ3 LYS A 77 -16.567 -3.975 3.100 1.00 2.81 H new ATOM 1169 N ASP A 78 -11.253 -8.214 6.936 1.00 1.51 N ATOM 1170 CA ASP A 78 -11.059 -9.491 7.602 1.00 1.95 C ATOM 1171 C ASP A 78 -11.089 -9.281 9.117 1.00 2.24 C ATOM 1172 O ASP A 78 -11.898 -9.889 9.816 1.00 2.61 O ATOM 1173 CB ASP A 78 -9.706 -10.104 7.236 1.00 2.03 C ATOM 1174 CG ASP A 78 -9.756 -11.181 6.151 1.00 2.19 C ATOM 1175 OD1 ASP A 78 -10.787 -11.229 5.446 1.00 3.14 O ATOM 1176 OD2 ASP A 78 -8.762 -11.932 6.050 1.00 2.49 O ATOM 0 H ASP A 78 -10.539 -7.980 6.246 1.00 1.51 H new ATOM 0 HA ASP A 78 -11.856 -10.162 7.283 1.00 1.95 H new ATOM 0 HB2 ASP A 78 -9.041 -9.307 6.905 1.00 2.03 H new ATOM 0 HB3 ASP A 78 -9.264 -10.535 8.135 1.00 2.03 H new ATOM 1181 N THR A 79 -10.197 -8.418 9.580 1.00 2.10 N ATOM 1182 CA THR A 79 -10.110 -8.120 11.000 1.00 2.40 C ATOM 1183 C THR A 79 -11.453 -7.603 11.519 1.00 2.56 C ATOM 1184 O THR A 79 -11.797 -7.815 12.681 1.00 2.96 O ATOM 1185 CB THR A 79 -8.959 -7.134 11.207 1.00 2.24 C ATOM 1186 OG1 THR A 79 -9.307 -6.017 10.392 1.00 3.48 O ATOM 1187 CG2 THR A 79 -7.643 -7.636 10.608 1.00 1.70 C ATOM 0 H THR A 79 -9.528 -7.915 8.997 1.00 2.10 H new ATOM 0 HA THR A 79 -9.896 -9.018 11.580 1.00 2.40 H new ATOM 0 HB THR A 79 -8.826 -6.950 12.273 1.00 2.24 H new ATOM 0 HG1 THR A 79 -10.241 -6.099 10.106 1.00 3.48 H new ATOM 0 HG21 THR A 79 -6.859 -6.899 10.783 1.00 1.70 H new ATOM 0 HG22 THR A 79 -7.365 -8.579 11.079 1.00 1.70 H new ATOM 0 HG23 THR A 79 -7.766 -7.788 9.536 1.00 1.70 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.336 5.937 -5.921 1.00 0.66 CA HETATM 1197 CA CA A 81 0.154 -2.661 -9.675 1.00 0.74 CA