USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 579 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0631 (180deg=-0.0631) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 39 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.9) USER MOD Single : A 72 THR OG1 : rot -21:sc= 0.824 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.445 -9.332 4.246 1.00 0.00 N ATOM 2 CA MET A 1 0.137 -9.239 3.542 1.00 0.00 C ATOM 3 C MET A 1 -0.745 -8.155 4.168 1.00 0.00 C ATOM 4 O MET A 1 -1.897 -8.405 4.529 1.00 0.00 O ATOM 5 CB MET A 1 -0.549 -10.608 3.620 1.00 0.00 C ATOM 6 CG MET A 1 -0.337 -11.471 2.384 1.00 0.00 C ATOM 7 SD MET A 1 0.358 -13.090 2.772 1.00 0.00 S ATOM 8 CE MET A 1 -0.966 -14.170 2.234 1.00 0.00 C ATOM 0 H1 MET A 1 2.025 -10.073 3.804 1.00 0.00 H new ATOM 0 H2 MET A 1 1.940 -8.420 4.181 1.00 0.00 H new ATOM 0 H3 MET A 1 1.285 -9.568 5.246 1.00 0.00 H new ATOM 0 HA MET A 1 0.298 -8.963 2.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.175 -11.142 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.619 -10.460 3.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.290 -11.603 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.327 -10.952 1.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.683 -15.208 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.873 -13.941 2.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.149 -14.019 1.170 1.00 0.00 H new ATOM 20 N GLU A 2 -0.189 -6.949 4.302 1.00 0.00 N ATOM 21 CA GLU A 2 -0.916 -5.827 4.897 1.00 0.00 C ATOM 22 C GLU A 2 -0.516 -4.498 4.257 1.00 0.00 C ATOM 23 O GLU A 2 0.543 -4.389 3.636 1.00 0.00 O ATOM 24 CB GLU A 2 -0.653 -5.774 6.403 1.00 0.00 C ATOM 25 CG GLU A 2 -0.895 -7.098 7.110 1.00 0.00 C ATOM 26 CD GLU A 2 -0.667 -7.015 8.608 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.141 -6.041 9.230 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.013 -7.926 9.158 1.00 0.00 O ATOM 0 H GLU A 2 0.761 -6.725 4.007 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.979 -5.984 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.378 -5.464 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.292 -5.012 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.918 -7.424 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.235 -7.856 6.688 1.00 0.00 H new ATOM 35 N TRP A 3 -1.379 -3.494 4.412 1.00 0.00 N ATOM 36 CA TRP A 3 -1.137 -2.166 3.855 1.00 0.00 C ATOM 37 C TRP A 3 -1.653 -1.082 4.802 1.00 0.00 C ATOM 38 O TRP A 3 -2.806 -1.125 5.233 1.00 0.00 O ATOM 39 CB TRP A 3 -1.826 -2.028 2.490 1.00 0.00 C ATOM 40 CG TRP A 3 -1.414 -3.074 1.496 1.00 0.00 C ATOM 41 CD1 TRP A 3 -1.772 -4.392 1.491 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.571 -2.884 0.355 1.00 0.00 C ATOM 43 NE1 TRP A 3 -1.197 -5.034 0.420 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.458 -4.128 -0.293 1.00 0.00 C ATOM 45 CE3 TRP A 3 0.099 -1.781 -0.182 1.00 0.00 C ATOM 46 CZ2 TRP A 3 0.301 -4.298 -1.448 1.00 0.00 C ATOM 47 CZ3 TRP A 3 0.850 -1.953 -1.328 1.00 0.00 C ATOM 48 CH2 TRP A 3 0.945 -3.202 -1.951 1.00 0.00 C ATOM 0 H TRP A 3 -2.258 -3.578 4.923 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.062 -2.041 3.729 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.906 -2.079 2.631 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.605 -1.043 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.413 -4.862 2.222 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -1.303 -6.023 0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.031 -0.812 0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 0.378 -5.262 -1.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.373 -1.108 -1.751 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.539 -3.302 -2.847 1.00 0.00 H new ATOM 59 N LYS A 4 -0.796 -0.114 5.120 1.00 0.00 N ATOM 60 CA LYS A 4 -1.168 0.983 6.014 1.00 0.00 C ATOM 61 C LYS A 4 -0.817 2.331 5.382 1.00 0.00 C ATOM 62 O LYS A 4 0.136 2.431 4.611 1.00 0.00 O ATOM 63 CB LYS A 4 -0.455 0.835 7.363 1.00 0.00 C ATOM 64 CG LYS A 4 -1.390 0.497 8.515 1.00 0.00 C ATOM 65 CD LYS A 4 -1.032 1.274 9.774 1.00 0.00 C ATOM 66 CE LYS A 4 -0.075 0.491 10.662 1.00 0.00 C ATOM 67 NZ LYS A 4 0.656 1.374 11.614 1.00 0.00 N ATOM 0 H LYS A 4 0.162 -0.066 4.772 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.245 0.943 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.302 0.055 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.068 1.764 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.417 0.721 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.343 -0.572 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.577 2.226 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.940 1.504 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.633 -0.261 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.643 -0.042 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.296 0.800 12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.209 2.076 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.026 1.864 12.227 1.00 0.00 H new ATOM 81 N LEU A 5 -1.589 3.365 5.712 1.00 0.00 N ATOM 82 CA LEU A 5 -1.351 4.704 5.170 1.00 0.00 C ATOM 83 C LEU A 5 -1.236 5.737 6.290 1.00 0.00 C ATOM 84 O LEU A 5 -1.914 5.632 7.313 1.00 0.00 O ATOM 85 CB LEU A 5 -2.473 5.100 4.205 1.00 0.00 C ATOM 86 CG LEU A 5 -2.325 4.582 2.767 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.985 4.997 2.178 1.00 0.00 C ATOM 88 CD2 LEU A 5 -2.481 3.069 2.722 1.00 0.00 C ATOM 0 H LEU A 5 -2.383 3.303 6.350 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.407 4.681 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.419 4.737 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.536 6.188 4.176 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.116 5.028 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.903 4.619 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.913 6.085 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.178 4.585 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.373 2.722 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.715 2.606 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.467 2.794 3.096 1.00 0.00 H new ATOM 100 N PHE A 6 -0.372 6.732 6.088 1.00 0.00 N ATOM 101 CA PHE A 6 -0.162 7.790 7.078 1.00 0.00 C ATOM 102 C PHE A 6 -1.234 8.879 6.964 1.00 0.00 C ATOM 103 O PHE A 6 -2.091 8.826 6.078 1.00 0.00 O ATOM 104 CB PHE A 6 1.233 8.404 6.900 1.00 0.00 C ATOM 105 CG PHE A 6 1.834 8.952 8.168 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.787 8.224 9.348 1.00 0.00 C ATOM 107 CD2 PHE A 6 2.448 10.194 8.176 1.00 0.00 C ATOM 108 CE1 PHE A 6 2.343 8.726 10.510 1.00 0.00 C ATOM 109 CE2 PHE A 6 3.005 10.700 9.336 1.00 0.00 C ATOM 110 CZ PHE A 6 2.951 9.965 10.504 1.00 0.00 C ATOM 0 H PHE A 6 0.195 6.828 5.246 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.238 7.345 8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.902 7.646 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.173 9.206 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.311 7.255 9.359 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.492 10.774 7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.302 8.149 11.422 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.482 11.669 9.329 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.384 10.359 11.411 1.00 0.00 H new ATOM 120 N ALA A 7 -1.181 9.865 7.868 1.00 0.00 N ATOM 121 CA ALA A 7 -2.145 10.967 7.872 1.00 0.00 C ATOM 122 C ALA A 7 -2.241 11.634 6.501 1.00 0.00 C ATOM 123 O ALA A 7 -3.304 12.113 6.120 1.00 0.00 O ATOM 124 CB ALA A 7 -1.780 11.996 8.928 1.00 0.00 C ATOM 0 H ALA A 7 -0.479 9.920 8.606 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.121 10.545 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.509 12.806 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.780 11.525 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.788 12.397 8.718 1.00 0.00 H new ATOM 130 N ASP A 8 -1.130 11.655 5.761 1.00 0.00 N ATOM 131 CA ASP A 8 -1.113 12.257 4.427 1.00 0.00 C ATOM 132 C ASP A 8 -2.279 11.739 3.583 1.00 0.00 C ATOM 133 O ASP A 8 -2.847 12.474 2.773 1.00 0.00 O ATOM 134 CB ASP A 8 0.212 11.957 3.715 1.00 0.00 C ATOM 135 CG ASP A 8 0.798 13.178 3.027 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.025 13.963 2.439 1.00 0.00 O ATOM 137 OD2 ASP A 8 2.035 13.342 3.072 1.00 0.00 O ATOM 0 H ASP A 8 -0.236 11.265 6.061 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.216 13.336 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.930 11.574 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.053 11.171 2.977 1.00 0.00 H new ATOM 142 N LEU A 9 -2.626 10.466 3.781 1.00 0.00 N ATOM 143 CA LEU A 9 -3.720 9.836 3.046 1.00 0.00 C ATOM 144 C LEU A 9 -4.929 9.577 3.955 1.00 0.00 C ATOM 145 O LEU A 9 -6.073 9.631 3.504 1.00 0.00 O ATOM 146 CB LEU A 9 -3.254 8.511 2.419 1.00 0.00 C ATOM 147 CG LEU A 9 -1.863 8.525 1.762 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.653 9.792 0.945 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.767 8.376 2.812 1.00 0.00 C ATOM 0 H LEU A 9 -2.161 9.850 4.448 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.023 10.524 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.260 7.744 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.985 8.211 1.668 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.807 7.674 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.661 9.773 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.408 9.849 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.739 10.663 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.208 8.389 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.829 9.201 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.896 7.432 3.341 1.00 0.00 H new ATOM 161 N ALA A 10 -4.670 9.289 5.236 1.00 0.00 N ATOM 162 CA ALA A 10 -5.741 9.016 6.199 1.00 0.00 C ATOM 163 C ALA A 10 -6.375 10.301 6.750 1.00 0.00 C ATOM 164 O ALA A 10 -7.326 10.238 7.531 1.00 0.00 O ATOM 165 CB ALA A 10 -5.211 8.160 7.342 1.00 0.00 C ATOM 0 H ALA A 10 -3.730 9.239 5.628 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.523 8.474 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.014 7.963 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.837 7.216 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.402 8.688 7.847 1.00 0.00 H new ATOM 171 N GLU A 11 -5.860 11.464 6.343 1.00 0.00 N ATOM 172 CA GLU A 11 -6.402 12.742 6.804 1.00 0.00 C ATOM 173 C GLU A 11 -7.804 12.972 6.236 1.00 0.00 C ATOM 174 O GLU A 11 -8.664 13.557 6.897 1.00 0.00 O ATOM 175 CB GLU A 11 -5.474 13.892 6.395 1.00 0.00 C ATOM 176 CG GLU A 11 -5.990 15.270 6.783 1.00 0.00 C ATOM 177 CD GLU A 11 -4.931 16.346 6.641 1.00 0.00 C ATOM 178 OE1 GLU A 11 -4.070 16.455 7.540 1.00 0.00 O ATOM 179 OE2 GLU A 11 -4.959 17.078 5.629 1.00 0.00 O ATOM 0 H GLU A 11 -5.073 11.546 5.699 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.470 12.712 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.497 13.738 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.327 13.861 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.847 15.523 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.343 15.246 7.814 1.00 0.00 H new ATOM 186 N VAL A 12 -8.024 12.512 5.004 1.00 0.00 N ATOM 187 CA VAL A 12 -9.315 12.672 4.340 1.00 0.00 C ATOM 188 C VAL A 12 -10.203 11.440 4.524 1.00 0.00 C ATOM 189 O VAL A 12 -11.372 11.560 4.892 1.00 0.00 O ATOM 190 CB VAL A 12 -9.137 12.947 2.833 1.00 0.00 C ATOM 191 CG1 VAL A 12 -10.463 13.322 2.193 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.099 14.039 2.609 1.00 0.00 C ATOM 0 H VAL A 12 -7.323 12.025 4.446 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.802 13.528 4.807 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.780 12.033 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.313 13.512 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.172 12.504 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.856 14.220 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.986 14.220 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.424 14.956 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.143 13.723 3.026 1.00 0.00 H new ATOM 202 N ALA A 13 -9.647 10.257 4.258 1.00 0.00 N ATOM 203 CA ALA A 13 -10.398 9.010 4.391 1.00 0.00 C ATOM 204 C ALA A 13 -10.593 8.619 5.854 1.00 0.00 C ATOM 205 O ALA A 13 -11.649 8.110 6.232 1.00 0.00 O ATOM 206 CB ALA A 13 -9.702 7.886 3.634 1.00 0.00 C ATOM 0 H ALA A 13 -8.682 10.137 3.950 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.384 9.175 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.274 6.965 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.633 8.147 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.700 7.741 4.038 1.00 0.00 H new ATOM 212 N GLY A 14 -9.565 8.850 6.672 1.00 0.00 N ATOM 213 CA GLY A 14 -9.640 8.507 8.083 1.00 0.00 C ATOM 214 C GLY A 14 -9.041 7.143 8.388 1.00 0.00 C ATOM 215 O GLY A 14 -8.619 6.884 9.516 1.00 0.00 O ATOM 0 H GLY A 14 -8.682 9.269 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.119 9.267 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.682 8.521 8.401 1.00 0.00 H new ATOM 219 N SER A 15 -9.004 6.270 7.378 1.00 0.00 N ATOM 220 CA SER A 15 -8.455 4.925 7.537 1.00 0.00 C ATOM 221 C SER A 15 -8.195 4.278 6.179 1.00 0.00 C ATOM 222 O SER A 15 -9.101 3.706 5.570 1.00 0.00 O ATOM 223 CB SER A 15 -9.409 4.051 8.358 1.00 0.00 C ATOM 224 OG SER A 15 -8.694 3.088 9.114 1.00 0.00 O ATOM 0 H SER A 15 -9.349 6.473 6.440 1.00 0.00 H new ATOM 0 HA SER A 15 -7.506 5.010 8.067 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.998 4.679 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.110 3.548 7.692 1.00 0.00 H new ATOM 0 HG SER A 15 -9.324 2.544 9.631 1.00 0.00 H new ATOM 230 N ARG A 16 -6.951 4.373 5.712 1.00 0.00 N ATOM 231 CA ARG A 16 -6.566 3.792 4.428 1.00 0.00 C ATOM 232 C ARG A 16 -5.797 2.480 4.623 1.00 0.00 C ATOM 233 O ARG A 16 -4.974 2.105 3.786 1.00 0.00 O ATOM 234 CB ARG A 16 -5.714 4.794 3.633 1.00 0.00 C ATOM 235 CG ARG A 16 -6.428 5.391 2.430 1.00 0.00 C ATOM 236 CD ARG A 16 -6.926 4.311 1.479 1.00 0.00 C ATOM 237 NE ARG A 16 -6.565 4.591 0.089 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.177 4.047 -0.967 1.00 0.00 C ATOM 239 NH1 ARG A 16 -8.170 3.174 -0.802 1.00 0.00 N ATOM 240 NH2 ARG A 16 -6.790 4.372 -2.195 1.00 0.00 N ATOM 0 H ARG A 16 -6.193 4.847 6.204 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.474 3.570 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.405 5.601 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.806 4.295 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.270 5.994 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.750 6.059 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.509 3.348 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.010 4.228 1.562 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.799 5.242 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.470 2.915 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.630 2.765 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.027 5.035 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.256 3.958 -3.003 1.00 0.00 H new ATOM 254 N THR A 17 -6.075 1.780 5.728 1.00 0.00 N ATOM 255 CA THR A 17 -5.408 0.513 6.019 1.00 0.00 C ATOM 256 C THR A 17 -6.211 -0.665 5.470 1.00 0.00 C ATOM 257 O THR A 17 -7.427 -0.738 5.657 1.00 0.00 O ATOM 258 CB THR A 17 -5.187 0.354 7.531 1.00 0.00 C ATOM 259 OG1 THR A 17 -6.388 -0.016 8.186 1.00 0.00 O ATOM 260 CG2 THR A 17 -4.671 1.613 8.201 1.00 0.00 C ATOM 0 H THR A 17 -6.755 2.070 6.431 1.00 0.00 H new ATOM 0 HA THR A 17 -4.436 0.522 5.526 1.00 0.00 H new ATOM 0 HB THR A 17 -4.432 -0.426 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.220 -0.113 9.147 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.538 1.429 9.267 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.715 1.895 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.389 2.421 8.059 1.00 0.00 H new ATOM 268 N VAL A 18 -5.526 -1.578 4.784 1.00 0.00 N ATOM 269 CA VAL A 18 -6.172 -2.750 4.194 1.00 0.00 C ATOM 270 C VAL A 18 -5.313 -4.004 4.370 1.00 0.00 C ATOM 271 O VAL A 18 -4.107 -3.913 4.594 1.00 0.00 O ATOM 272 CB VAL A 18 -6.455 -2.540 2.687 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.538 -3.493 2.204 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.850 -1.094 2.404 1.00 0.00 C ATOM 0 H VAL A 18 -4.520 -1.529 4.622 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.118 -2.885 4.719 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.538 -2.756 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.721 -3.328 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.214 -4.522 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.457 -3.313 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.044 -0.972 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.750 -0.846 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.039 -0.430 2.704 1.00 0.00 H new ATOM 284 N ARG A 19 -5.942 -5.175 4.262 1.00 0.00 N ATOM 285 CA ARG A 19 -5.238 -6.450 4.401 1.00 0.00 C ATOM 286 C ARG A 19 -5.468 -7.328 3.171 1.00 0.00 C ATOM 287 O ARG A 19 -6.585 -7.403 2.655 1.00 0.00 O ATOM 288 CB ARG A 19 -5.699 -7.184 5.667 1.00 0.00 C ATOM 289 CG ARG A 19 -7.174 -7.560 5.660 1.00 0.00 C ATOM 290 CD ARG A 19 -7.688 -7.841 7.064 1.00 0.00 C ATOM 291 NE ARG A 19 -8.874 -8.696 7.050 1.00 0.00 N ATOM 292 CZ ARG A 19 -9.724 -8.814 8.073 1.00 0.00 C ATOM 293 NH1 ARG A 19 -9.523 -8.140 9.202 1.00 0.00 N ATOM 294 NH2 ARG A 19 -10.780 -9.613 7.964 1.00 0.00 N ATOM 0 H ARG A 19 -6.941 -5.267 4.078 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.171 -6.243 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.104 -8.089 5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.499 -6.554 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.754 -6.751 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.322 -8.440 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.903 -8.319 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.925 -6.899 7.559 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.064 -9.236 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.714 -7.526 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.178 -8.237 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.939 -10.133 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.432 -9.706 8.743 1.00 0.00 H new ATOM 308 N VAL A 20 -4.407 -7.987 2.703 1.00 0.00 N ATOM 309 CA VAL A 20 -4.503 -8.855 1.530 1.00 0.00 C ATOM 310 C VAL A 20 -4.407 -10.331 1.918 1.00 0.00 C ATOM 311 O VAL A 20 -3.438 -10.759 2.546 1.00 0.00 O ATOM 312 CB VAL A 20 -3.419 -8.520 0.477 1.00 0.00 C ATOM 313 CG1 VAL A 20 -2.021 -8.751 1.031 1.00 0.00 C ATOM 314 CG2 VAL A 20 -3.636 -9.329 -0.796 1.00 0.00 C ATOM 0 H VAL A 20 -3.476 -7.936 3.116 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.482 -8.672 1.086 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.509 -7.462 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.282 -8.507 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.866 -8.116 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.912 -9.796 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.863 -9.078 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.585 -10.393 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.616 -9.095 -1.213 1.00 0.00 H new ATOM 324 N ASP A 21 -5.427 -11.101 1.539 1.00 0.00 N ATOM 325 CA ASP A 21 -5.472 -12.528 1.843 1.00 0.00 C ATOM 326 C ASP A 21 -5.669 -13.357 0.576 1.00 0.00 C ATOM 327 O ASP A 21 -4.971 -14.350 0.358 1.00 0.00 O ATOM 328 CB ASP A 21 -6.607 -12.814 2.829 1.00 0.00 C ATOM 329 CG ASP A 21 -6.133 -12.878 4.270 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.081 -13.502 4.525 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.819 -12.306 5.143 1.00 0.00 O ATOM 0 H ASP A 21 -6.235 -10.757 1.019 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.519 -12.809 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.367 -12.038 2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.082 -13.759 2.565 1.00 0.00 H new ATOM 336 N VAL A 22 -6.627 -12.943 -0.250 1.00 0.00 N ATOM 337 CA VAL A 22 -6.933 -13.640 -1.496 1.00 0.00 C ATOM 338 C VAL A 22 -6.201 -13.010 -2.685 1.00 0.00 C ATOM 339 O VAL A 22 -5.887 -11.816 -2.672 1.00 0.00 O ATOM 340 CB VAL A 22 -8.455 -13.649 -1.769 1.00 0.00 C ATOM 341 CG1 VAL A 22 -8.978 -12.233 -1.973 1.00 0.00 C ATOM 342 CG2 VAL A 22 -8.783 -14.526 -2.969 1.00 0.00 C ATOM 0 H VAL A 22 -7.208 -12.123 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.588 -14.667 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.953 -14.070 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.051 -12.265 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.786 -11.642 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.472 -11.777 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.859 -14.518 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.270 -14.142 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.455 -15.547 -2.774 1.00 0.00 H new ATOM 352 N ASP A 23 -5.934 -13.822 -3.709 1.00 0.00 N ATOM 353 CA ASP A 23 -5.241 -13.358 -4.909 1.00 0.00 C ATOM 354 C ASP A 23 -6.172 -13.364 -6.123 1.00 0.00 C ATOM 355 O ASP A 23 -7.200 -14.045 -6.128 1.00 0.00 O ATOM 356 CB ASP A 23 -4.016 -14.241 -5.183 1.00 0.00 C ATOM 357 CG ASP A 23 -3.032 -13.612 -6.156 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.020 -12.370 -6.282 1.00 0.00 O ATOM 359 OD2 ASP A 23 -2.272 -14.368 -6.794 1.00 0.00 O ATOM 0 H ASP A 23 -6.189 -14.809 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.915 -12.332 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.506 -14.446 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.349 -15.200 -5.581 1.00 0.00 H new ATOM 364 N GLY A 24 -5.800 -12.601 -7.152 1.00 0.00 N ATOM 365 CA GLY A 24 -6.603 -12.529 -8.364 1.00 0.00 C ATOM 366 C GLY A 24 -6.021 -11.569 -9.389 1.00 0.00 C ATOM 367 O GLY A 24 -4.832 -11.642 -9.704 1.00 0.00 O ATOM 0 H GLY A 24 -4.955 -12.030 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.681 -13.523 -8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.615 -12.214 -8.108 1.00 0.00 H new ATOM 371 N ASP A 25 -6.858 -10.668 -9.912 1.00 0.00 N ATOM 372 CA ASP A 25 -6.416 -9.686 -10.908 1.00 0.00 C ATOM 373 C ASP A 25 -5.567 -8.588 -10.262 1.00 0.00 C ATOM 374 O ASP A 25 -4.642 -8.064 -10.883 1.00 0.00 O ATOM 375 CB ASP A 25 -7.618 -9.064 -11.639 1.00 0.00 C ATOM 376 CG ASP A 25 -8.635 -8.442 -10.699 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.489 -7.247 -10.368 1.00 0.00 O ATOM 378 OD2 ASP A 25 -9.579 -9.153 -10.293 1.00 0.00 O ATOM 0 H ASP A 25 -7.845 -10.598 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.801 -10.213 -11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.259 -8.302 -12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.108 -9.832 -12.237 1.00 0.00 H new ATOM 383 N ALA A 26 -5.887 -8.250 -9.013 1.00 0.00 N ATOM 384 CA ALA A 26 -5.153 -7.219 -8.284 1.00 0.00 C ATOM 385 C ALA A 26 -3.735 -7.681 -7.948 1.00 0.00 C ATOM 386 O ALA A 26 -3.531 -8.809 -7.496 1.00 0.00 O ATOM 387 CB ALA A 26 -5.903 -6.838 -7.014 1.00 0.00 C ATOM 0 H ALA A 26 -6.650 -8.676 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.075 -6.341 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.346 -6.069 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.890 -6.456 -7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.011 -7.716 -6.378 1.00 0.00 H new ATOM 393 N THR A 27 -2.761 -6.799 -8.176 1.00 0.00 N ATOM 394 CA THR A 27 -1.356 -7.110 -7.904 1.00 0.00 C ATOM 395 C THR A 27 -0.829 -6.284 -6.728 1.00 0.00 C ATOM 396 O THR A 27 -1.533 -5.422 -6.198 1.00 0.00 O ATOM 397 CB THR A 27 -0.496 -6.863 -9.151 1.00 0.00 C ATOM 398 OG1 THR A 27 -1.300 -6.631 -10.297 1.00 0.00 O ATOM 399 CG2 THR A 27 0.427 -8.014 -9.472 1.00 0.00 C ATOM 0 H THR A 27 -2.919 -5.863 -8.549 1.00 0.00 H new ATOM 0 HA THR A 27 -1.293 -8.165 -7.638 1.00 0.00 H new ATOM 0 HB THR A 27 0.101 -5.983 -8.910 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.724 -6.475 -11.075 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.007 -7.777 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.103 -8.183 -8.634 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.162 -8.914 -9.651 1.00 0.00 H new ATOM 407 N VAL A 28 0.419 -6.545 -6.332 1.00 0.00 N ATOM 408 CA VAL A 28 1.042 -5.823 -5.228 1.00 0.00 C ATOM 409 C VAL A 28 1.449 -4.428 -5.681 1.00 0.00 C ATOM 410 O VAL A 28 1.244 -3.447 -4.969 1.00 0.00 O ATOM 411 CB VAL A 28 2.285 -6.567 -4.688 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.910 -5.808 -3.525 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.925 -7.987 -4.269 1.00 0.00 C ATOM 0 H VAL A 28 1.016 -7.252 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 28 0.308 -5.755 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 28 3.019 -6.623 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.783 -6.352 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.214 -4.816 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.182 -5.713 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.815 -8.492 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.167 -7.954 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.535 -8.532 -5.129 1.00 0.00 H new ATOM 423 N GLY A 29 2.009 -4.350 -6.884 1.00 0.00 N ATOM 424 CA GLY A 29 2.420 -3.076 -7.429 1.00 0.00 C ATOM 425 C GLY A 29 1.262 -2.334 -8.067 1.00 0.00 C ATOM 426 O GLY A 29 1.206 -1.105 -8.028 1.00 0.00 O ATOM 0 H GLY A 29 2.185 -5.151 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.851 -2.464 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.203 -3.234 -8.171 1.00 0.00 H new ATOM 430 N ASP A 30 0.328 -3.093 -8.646 1.00 0.00 N ATOM 431 CA ASP A 30 -0.850 -2.519 -9.289 1.00 0.00 C ATOM 432 C ASP A 30 -1.733 -1.806 -8.266 1.00 0.00 C ATOM 433 O ASP A 30 -2.253 -0.722 -8.531 1.00 0.00 O ATOM 434 CB ASP A 30 -1.648 -3.617 -10.000 1.00 0.00 C ATOM 435 CG ASP A 30 -2.914 -3.096 -10.655 1.00 0.00 C ATOM 436 OD1 ASP A 30 -2.815 -2.197 -11.518 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.008 -3.589 -10.307 1.00 0.00 O ATOM 0 H ASP A 30 0.368 -4.112 -8.681 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.518 -1.787 -10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.019 -4.084 -10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.910 -4.393 -9.281 1.00 0.00 H new ATOM 442 N ALA A 31 -1.887 -2.420 -7.090 1.00 0.00 N ATOM 443 CA ALA A 31 -2.693 -1.844 -6.020 1.00 0.00 C ATOM 444 C ALA A 31 -1.929 -0.735 -5.303 1.00 0.00 C ATOM 445 O ALA A 31 -2.528 0.229 -4.828 1.00 0.00 O ATOM 446 CB ALA A 31 -3.123 -2.921 -5.032 1.00 0.00 C ATOM 0 H ALA A 31 -1.462 -3.318 -6.858 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.587 -1.409 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.723 -2.471 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.714 -3.676 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.240 -3.388 -4.596 1.00 0.00 H new ATOM 452 N LEU A 32 -0.601 -0.869 -5.238 1.00 0.00 N ATOM 453 CA LEU A 32 0.232 0.138 -4.591 1.00 0.00 C ATOM 454 C LEU A 32 0.092 1.477 -5.309 1.00 0.00 C ATOM 455 O LEU A 32 -0.315 2.472 -4.710 1.00 0.00 O ATOM 456 CB LEU A 32 1.702 -0.300 -4.573 1.00 0.00 C ATOM 457 CG LEU A 32 2.579 0.412 -3.536 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.799 -0.433 -3.199 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.000 1.786 -4.044 1.00 0.00 C ATOM 0 H LEU A 32 -0.086 -1.661 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.105 0.250 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.743 -1.373 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.127 -0.132 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 32 1.995 0.548 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.410 0.088 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.477 -1.391 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.385 -0.602 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.622 2.276 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.566 1.674 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.114 2.392 -4.232 1.00 0.00 H new ATOM 471 N ASP A 33 0.419 1.487 -6.603 1.00 0.00 N ATOM 472 CA ASP A 33 0.320 2.701 -7.410 1.00 0.00 C ATOM 473 C ASP A 33 -1.128 3.179 -7.508 1.00 0.00 C ATOM 474 O ASP A 33 -1.386 4.377 -7.583 1.00 0.00 O ATOM 475 CB ASP A 33 0.885 2.459 -8.812 1.00 0.00 C ATOM 476 CG ASP A 33 0.908 3.716 -9.661 1.00 0.00 C ATOM 477 OD1 ASP A 33 1.834 4.536 -9.480 1.00 0.00 O ATOM 478 OD2 ASP A 33 0.002 3.882 -10.502 1.00 0.00 O ATOM 0 H ASP A 33 0.754 0.669 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 33 0.907 3.477 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.898 2.064 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.287 1.698 -9.314 1.00 0.00 H new ATOM 483 N ALA A 34 -2.071 2.234 -7.507 1.00 0.00 N ATOM 484 CA ALA A 34 -3.489 2.567 -7.594 1.00 0.00 C ATOM 485 C ALA A 34 -3.970 3.258 -6.322 1.00 0.00 C ATOM 486 O ALA A 34 -4.570 4.327 -6.382 1.00 0.00 O ATOM 487 CB ALA A 34 -4.317 1.318 -7.858 1.00 0.00 C ATOM 0 H ALA A 34 -1.876 1.235 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.619 3.257 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.372 1.587 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.003 0.865 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.171 0.606 -7.046 1.00 0.00 H new ATOM 493 N LEU A 35 -3.699 2.639 -5.173 1.00 0.00 N ATOM 494 CA LEU A 35 -4.107 3.197 -3.884 1.00 0.00 C ATOM 495 C LEU A 35 -3.485 4.575 -3.657 1.00 0.00 C ATOM 496 O LEU A 35 -4.106 5.450 -3.050 1.00 0.00 O ATOM 497 CB LEU A 35 -3.716 2.252 -2.742 1.00 0.00 C ATOM 498 CG LEU A 35 -4.832 1.325 -2.246 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.444 0.545 -3.402 1.00 0.00 C ATOM 500 CD2 LEU A 35 -4.299 0.374 -1.182 1.00 0.00 C ATOM 0 H LEU A 35 -3.199 1.752 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.191 3.308 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.877 1.639 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.363 2.851 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.614 1.940 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.233 -0.105 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.864 1.241 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.674 -0.059 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.103 -0.277 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.497 -0.231 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.915 0.949 -0.339 1.00 0.00 H new ATOM 512 N VAL A 36 -2.257 4.762 -4.145 1.00 0.00 N ATOM 513 CA VAL A 36 -1.556 6.036 -3.990 1.00 0.00 C ATOM 514 C VAL A 36 -1.941 7.021 -5.095 1.00 0.00 C ATOM 515 O VAL A 36 -2.174 8.201 -4.828 1.00 0.00 O ATOM 516 CB VAL A 36 -0.023 5.841 -3.993 1.00 0.00 C ATOM 517 CG1 VAL A 36 0.683 7.161 -3.716 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.394 4.783 -2.977 1.00 0.00 C ATOM 0 H VAL A 36 -1.730 4.049 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.859 6.446 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 36 0.274 5.493 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.762 7.005 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.417 7.885 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.377 7.540 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.477 4.665 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.083 5.094 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.080 3.833 -3.225 1.00 0.00 H new ATOM 528 N GLY A 37 -2.003 6.533 -6.336 1.00 0.00 N ATOM 529 CA GLY A 37 -2.359 7.388 -7.457 1.00 0.00 C ATOM 530 C GLY A 37 -3.863 7.535 -7.653 1.00 0.00 C ATOM 531 O GLY A 37 -4.300 8.130 -8.640 1.00 0.00 O ATOM 0 H GLY A 37 -1.813 5.562 -6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.922 8.375 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.919 6.982 -8.368 1.00 0.00 H new ATOM 535 N ALA A 38 -4.656 7.000 -6.719 1.00 0.00 N ATOM 536 CA ALA A 38 -6.112 7.086 -6.811 1.00 0.00 C ATOM 537 C ALA A 38 -6.571 8.539 -6.755 1.00 0.00 C ATOM 538 O ALA A 38 -7.222 9.016 -7.684 1.00 0.00 O ATOM 539 CB ALA A 38 -6.773 6.281 -5.697 1.00 0.00 C ATOM 0 H ALA A 38 -4.314 6.506 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.414 6.663 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.857 6.359 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.477 5.235 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.458 6.672 -4.729 1.00 0.00 H new ATOM 545 N HIS A 39 -6.209 9.222 -5.654 1.00 0.00 N ATOM 546 CA HIS A 39 -6.534 10.628 -5.402 1.00 0.00 C ATOM 547 C HIS A 39 -7.668 10.783 -4.386 1.00 0.00 C ATOM 548 O HIS A 39 -7.473 11.430 -3.356 1.00 0.00 O ATOM 549 CB HIS A 39 -6.864 11.395 -6.673 1.00 0.00 C ATOM 550 CG HIS A 39 -5.766 11.386 -7.700 1.00 0.00 C ATOM 551 ND1 HIS A 39 -4.424 11.328 -7.378 1.00 0.00 N ATOM 552 CD2 HIS A 39 -5.823 11.424 -9.052 1.00 0.00 C ATOM 553 CE1 HIS A 39 -3.706 11.331 -8.488 1.00 0.00 C ATOM 554 NE2 HIS A 39 -4.531 11.388 -9.518 1.00 0.00 N ATOM 0 H HIS A 39 -5.670 8.797 -4.900 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.629 11.064 -4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.765 10.971 -7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.093 12.428 -6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.719 11.473 -9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.628 11.293 -8.543 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.254 11.403 -10.500 1.00 0.00 H new ATOM 563 N PRO A 40 -8.867 10.196 -4.635 1.00 0.00 N ATOM 564 CA PRO A 40 -9.994 10.298 -3.698 1.00 0.00 C ATOM 565 C PRO A 40 -9.602 9.920 -2.272 1.00 0.00 C ATOM 566 O PRO A 40 -10.251 10.343 -1.314 1.00 0.00 O ATOM 567 CB PRO A 40 -11.011 9.298 -4.244 1.00 0.00 C ATOM 568 CG PRO A 40 -10.706 9.199 -5.695 1.00 0.00 C ATOM 569 CD PRO A 40 -9.220 9.391 -5.822 1.00 0.00 C ATOM 0 HA PRO A 40 -10.370 11.319 -3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.916 8.329 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.032 9.641 -4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.009 8.230 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.247 9.958 -6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.692 8.437 -5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.961 9.906 -6.747 1.00 0.00 H new ATOM 577 N ALA A 41 -8.530 9.133 -2.136 1.00 0.00 N ATOM 578 CA ALA A 41 -8.048 8.718 -0.820 1.00 0.00 C ATOM 579 C ALA A 41 -7.707 9.935 0.036 1.00 0.00 C ATOM 580 O ALA A 41 -7.868 9.910 1.256 1.00 0.00 O ATOM 581 CB ALA A 41 -6.838 7.802 -0.954 1.00 0.00 C ATOM 0 H ALA A 41 -7.984 8.773 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.844 8.162 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.495 7.505 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.115 6.915 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.037 8.330 -1.472 1.00 0.00 H new ATOM 587 N LEU A 42 -7.243 11.000 -0.620 1.00 0.00 N ATOM 588 CA LEU A 42 -6.887 12.236 0.070 1.00 0.00 C ATOM 589 C LEU A 42 -7.400 13.464 -0.694 1.00 0.00 C ATOM 590 O LEU A 42 -6.852 14.560 -0.559 1.00 0.00 O ATOM 591 CB LEU A 42 -5.368 12.325 0.256 1.00 0.00 C ATOM 592 CG LEU A 42 -4.528 11.893 -0.952 1.00 0.00 C ATOM 593 CD1 LEU A 42 -3.154 12.541 -0.899 1.00 0.00 C ATOM 594 CD2 LEU A 42 -4.402 10.375 -1.008 1.00 0.00 C ATOM 0 H LEU A 42 -7.106 11.029 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.363 12.223 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.110 13.354 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.087 11.709 1.110 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.034 12.225 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.569 12.225 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.262 13.626 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.644 12.238 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.802 10.091 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.920 10.016 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.394 9.930 -1.093 1.00 0.00 H new ATOM 606 N GLU A 43 -8.459 13.277 -1.490 1.00 0.00 N ATOM 607 CA GLU A 43 -9.044 14.369 -2.269 1.00 0.00 C ATOM 608 C GLU A 43 -10.571 14.287 -2.266 1.00 0.00 C ATOM 609 O GLU A 43 -11.192 14.051 -3.304 1.00 0.00 O ATOM 610 CB GLU A 43 -8.526 14.336 -3.713 1.00 0.00 C ATOM 611 CG GLU A 43 -7.017 14.500 -3.829 1.00 0.00 C ATOM 612 CD GLU A 43 -6.611 15.677 -4.700 1.00 0.00 C ATOM 613 OE1 GLU A 43 -7.259 16.743 -4.606 1.00 0.00 O ATOM 614 OE2 GLU A 43 -5.640 15.534 -5.474 1.00 0.00 O ATOM 0 H GLU A 43 -8.927 12.379 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.745 15.308 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.815 13.390 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.013 15.128 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.594 14.630 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.589 13.586 -4.241 1.00 0.00 H new ATOM 621 N SER A 44 -11.172 14.484 -1.095 1.00 0.00 N ATOM 622 CA SER A 44 -12.627 14.436 -0.966 1.00 0.00 C ATOM 623 C SER A 44 -13.248 15.772 -1.373 1.00 0.00 C ATOM 624 O SER A 44 -14.238 15.806 -2.106 1.00 0.00 O ATOM 625 CB SER A 44 -13.032 14.081 0.467 1.00 0.00 C ATOM 626 OG SER A 44 -13.045 12.675 0.660 1.00 0.00 O ATOM 0 H SER A 44 -10.677 14.678 -0.225 1.00 0.00 H new ATOM 0 HA SER A 44 -13.000 13.660 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.337 14.541 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.019 14.490 0.681 1.00 0.00 H new ATOM 0 HG SER A 44 -13.305 12.474 1.583 1.00 0.00 H new ATOM 632 N ARG A 45 -12.653 16.872 -0.901 1.00 0.00 N ATOM 633 CA ARG A 45 -13.144 18.211 -1.225 1.00 0.00 C ATOM 634 C ARG A 45 -12.092 19.276 -0.916 1.00 0.00 C ATOM 635 O ARG A 45 -11.782 19.541 0.248 1.00 0.00 O ATOM 636 CB ARG A 45 -14.436 18.510 -0.456 1.00 0.00 C ATOM 637 CG ARG A 45 -15.538 19.095 -1.327 1.00 0.00 C ATOM 638 CD ARG A 45 -16.917 18.631 -0.875 1.00 0.00 C ATOM 639 NE ARG A 45 -17.416 19.401 0.265 1.00 0.00 N ATOM 640 CZ ARG A 45 -18.389 18.982 1.082 1.00 0.00 C ATOM 641 NH1 ARG A 45 -18.979 17.806 0.884 1.00 0.00 N ATOM 642 NH2 ARG A 45 -18.780 19.747 2.097 1.00 0.00 N ATOM 0 H ARG A 45 -11.833 16.860 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.353 18.238 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.797 17.590 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.215 19.206 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.490 20.183 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.377 18.802 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.618 18.720 -1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.873 17.576 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.996 20.313 0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.690 17.215 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.720 17.495 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.338 20.653 2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.522 19.428 2.720 1.00 0.00 H new ATOM 656 N VAL A 46 -11.551 19.890 -1.969 1.00 0.00 N ATOM 657 CA VAL A 46 -10.537 20.934 -1.818 1.00 0.00 C ATOM 658 C VAL A 46 -10.491 21.846 -3.050 1.00 0.00 C ATOM 659 O VAL A 46 -10.514 23.072 -2.922 1.00 0.00 O ATOM 660 CB VAL A 46 -9.136 20.332 -1.549 1.00 0.00 C ATOM 661 CG1 VAL A 46 -8.685 19.429 -2.692 1.00 0.00 C ATOM 662 CG2 VAL A 46 -8.115 21.434 -1.297 1.00 0.00 C ATOM 0 H VAL A 46 -11.798 19.682 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.822 21.533 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.208 19.717 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.698 19.025 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.394 18.610 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.640 20.006 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.138 20.989 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.057 22.083 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.419 22.020 -0.429 1.00 0.00 H new ATOM 672 N PHE A 47 -10.440 21.239 -4.239 1.00 0.00 N ATOM 673 CA PHE A 47 -10.404 21.982 -5.498 1.00 0.00 C ATOM 674 C PHE A 47 -10.580 21.023 -6.678 1.00 0.00 C ATOM 675 O PHE A 47 -10.977 19.871 -6.490 1.00 0.00 O ATOM 676 CB PHE A 47 -9.086 22.762 -5.631 1.00 0.00 C ATOM 677 CG PHE A 47 -9.259 24.260 -5.590 1.00 0.00 C ATOM 678 CD1 PHE A 47 -9.883 24.932 -6.630 1.00 0.00 C ATOM 679 CD2 PHE A 47 -8.797 24.992 -4.507 1.00 0.00 C ATOM 680 CE1 PHE A 47 -10.041 26.306 -6.590 1.00 0.00 C ATOM 681 CE2 PHE A 47 -8.954 26.365 -4.463 1.00 0.00 C ATOM 682 CZ PHE A 47 -9.576 27.022 -5.504 1.00 0.00 C ATOM 0 H PHE A 47 -10.423 20.226 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.225 22.699 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.414 22.461 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.605 22.487 -6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.250 24.377 -7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.309 24.484 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.527 26.818 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.589 26.923 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.699 28.094 -5.470 1.00 0.00 H new ATOM 692 N GLY A 48 -10.279 21.492 -7.893 1.00 0.00 N ATOM 693 CA GLY A 48 -10.411 20.648 -9.070 1.00 0.00 C ATOM 694 C GLY A 48 -9.178 19.795 -9.328 1.00 0.00 C ATOM 695 O GLY A 48 -8.734 19.680 -10.471 1.00 0.00 O ATOM 0 H GLY A 48 -9.948 22.438 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.278 19.998 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.602 21.275 -9.941 1.00 0.00 H new ATOM 699 N ASP A 49 -8.632 19.194 -8.264 1.00 0.00 N ATOM 700 CA ASP A 49 -7.446 18.339 -8.359 1.00 0.00 C ATOM 701 C ASP A 49 -6.200 19.142 -8.727 1.00 0.00 C ATOM 702 O ASP A 49 -6.218 19.958 -9.653 1.00 0.00 O ATOM 703 CB ASP A 49 -7.659 17.215 -9.376 1.00 0.00 C ATOM 704 CG ASP A 49 -8.840 16.328 -9.027 1.00 0.00 C ATOM 705 OD1 ASP A 49 -9.976 16.666 -9.424 1.00 0.00 O ATOM 706 OD2 ASP A 49 -8.629 15.297 -8.356 1.00 0.00 O ATOM 0 H ASP A 49 -8.999 19.287 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.290 17.899 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.814 17.649 -10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.757 16.606 -9.433 1.00 0.00 H new ATOM 711 N ASP A 50 -5.114 18.897 -7.997 1.00 0.00 N ATOM 712 CA ASP A 50 -3.846 19.585 -8.236 1.00 0.00 C ATOM 713 C ASP A 50 -3.000 18.849 -9.275 1.00 0.00 C ATOM 714 O ASP A 50 -2.194 19.463 -9.978 1.00 0.00 O ATOM 715 CB ASP A 50 -3.059 19.722 -6.927 1.00 0.00 C ATOM 716 CG ASP A 50 -3.522 20.901 -6.092 1.00 0.00 C ATOM 717 OD1 ASP A 50 -3.166 22.048 -6.438 1.00 0.00 O ATOM 718 OD2 ASP A 50 -4.239 20.679 -5.096 1.00 0.00 O ATOM 0 H ASP A 50 -5.087 18.224 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.075 20.577 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.164 18.806 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.999 19.836 -7.154 1.00 0.00 H new ATOM 723 N GLY A 51 -3.182 17.528 -9.365 1.00 0.00 N ATOM 724 CA GLY A 51 -2.427 16.728 -10.314 1.00 0.00 C ATOM 725 C GLY A 51 -1.168 16.142 -9.699 1.00 0.00 C ATOM 726 O GLY A 51 -1.019 14.921 -9.633 1.00 0.00 O ATOM 0 H GLY A 51 -3.842 17.000 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.057 15.920 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.157 17.344 -11.172 1.00 0.00 H new ATOM 730 N GLU A 52 -0.270 17.020 -9.241 1.00 0.00 N ATOM 731 CA GLU A 52 0.987 16.610 -8.612 1.00 0.00 C ATOM 732 C GLU A 52 1.944 15.966 -9.615 1.00 0.00 C ATOM 733 O GLU A 52 1.636 14.929 -10.206 1.00 0.00 O ATOM 734 CB GLU A 52 0.718 15.647 -7.450 1.00 0.00 C ATOM 735 CG GLU A 52 0.909 16.283 -6.081 1.00 0.00 C ATOM 736 CD GLU A 52 -0.365 16.298 -5.262 1.00 0.00 C ATOM 737 OE1 GLU A 52 -0.929 15.210 -5.021 1.00 0.00 O ATOM 738 OE2 GLU A 52 -0.802 17.399 -4.860 1.00 0.00 O ATOM 0 H GLU A 52 -0.394 18.031 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 52 1.465 17.511 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.302 15.271 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.382 14.788 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.680 15.739 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.268 17.305 -6.206 1.00 0.00 H new ATOM 745 N LEU A 53 3.106 16.593 -9.798 1.00 0.00 N ATOM 746 CA LEU A 53 4.119 16.092 -10.727 1.00 0.00 C ATOM 747 C LEU A 53 5.118 15.160 -10.028 1.00 0.00 C ATOM 748 O LEU A 53 5.631 14.224 -10.644 1.00 0.00 O ATOM 749 CB LEU A 53 4.860 17.265 -11.382 1.00 0.00 C ATOM 750 CG LEU A 53 4.147 17.898 -12.583 1.00 0.00 C ATOM 751 CD1 LEU A 53 4.751 19.257 -12.906 1.00 0.00 C ATOM 752 CD2 LEU A 53 4.218 16.982 -13.795 1.00 0.00 C ATOM 0 H LEU A 53 3.370 17.451 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 53 3.607 15.513 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.024 18.036 -10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.842 16.919 -11.704 1.00 0.00 H new ATOM 0 HG LEU A 53 3.098 18.039 -12.322 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.233 19.692 -13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.646 19.916 -12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.808 19.138 -13.145 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.706 17.450 -14.636 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.261 16.806 -14.058 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.738 16.032 -13.562 1.00 0.00 H new ATOM 764 N TYR A 54 5.396 15.417 -8.743 1.00 0.00 N ATOM 765 CA TYR A 54 6.337 14.592 -7.981 1.00 0.00 C ATOM 766 C TYR A 54 5.713 14.090 -6.676 1.00 0.00 C ATOM 767 O TYR A 54 5.272 14.884 -5.843 1.00 0.00 O ATOM 768 CB TYR A 54 7.615 15.381 -7.681 1.00 0.00 C ATOM 769 CG TYR A 54 8.887 14.576 -7.853 1.00 0.00 C ATOM 770 CD1 TYR A 54 9.035 13.336 -7.243 1.00 0.00 C ATOM 771 CD2 TYR A 54 9.936 15.054 -8.627 1.00 0.00 C ATOM 772 CE1 TYR A 54 10.192 12.597 -7.399 1.00 0.00 C ATOM 773 CE2 TYR A 54 11.098 14.321 -8.787 1.00 0.00 C ATOM 774 CZ TYR A 54 11.221 13.093 -8.171 1.00 0.00 C ATOM 775 OH TYR A 54 12.374 12.361 -8.329 1.00 0.00 O ATOM 0 H TYR A 54 4.984 16.186 -8.214 1.00 0.00 H new ATOM 0 HA TYR A 54 6.586 13.724 -8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.656 16.251 -8.336 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.568 15.754 -6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.232 12.943 -6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.843 16.014 -9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.290 11.635 -6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.905 14.708 -9.391 1.00 0.00 H new ATOM 0 HH TYR A 54 12.998 12.853 -8.903 1.00 0.00 H new ATOM 785 N ASP A 55 5.686 12.764 -6.510 1.00 0.00 N ATOM 786 CA ASP A 55 5.122 12.139 -5.310 1.00 0.00 C ATOM 787 C ASP A 55 6.092 11.111 -4.723 1.00 0.00 C ATOM 788 O ASP A 55 6.594 10.240 -5.437 1.00 0.00 O ATOM 789 CB ASP A 55 3.788 11.461 -5.644 1.00 0.00 C ATOM 790 CG ASP A 55 2.594 12.360 -5.382 1.00 0.00 C ATOM 791 OD1 ASP A 55 2.511 13.435 -6.008 1.00 0.00 O ATOM 792 OD2 ASP A 55 1.738 11.982 -4.555 1.00 0.00 O ATOM 0 H ASP A 55 6.050 12.101 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 55 4.953 12.920 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.789 11.162 -6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.689 10.551 -5.053 1.00 0.00 H new ATOM 797 N HIS A 56 6.349 11.217 -3.417 1.00 0.00 N ATOM 798 CA HIS A 56 7.258 10.296 -2.732 1.00 0.00 C ATOM 799 C HIS A 56 6.572 9.642 -1.531 1.00 0.00 C ATOM 800 O HIS A 56 5.895 10.316 -0.751 1.00 0.00 O ATOM 801 CB HIS A 56 8.520 11.036 -2.279 1.00 0.00 C ATOM 802 CG HIS A 56 9.764 10.608 -3.000 1.00 0.00 C ATOM 803 ND1 HIS A 56 10.927 11.350 -2.998 1.00 0.00 N ATOM 804 CD2 HIS A 56 10.023 9.509 -3.748 1.00 0.00 C ATOM 805 CE1 HIS A 56 11.846 10.726 -3.711 1.00 0.00 C ATOM 806 NE2 HIS A 56 11.323 9.606 -4.178 1.00 0.00 N ATOM 0 H HIS A 56 5.941 11.931 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 56 7.539 9.511 -3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.375 12.106 -2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.658 10.878 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.335 8.706 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.854 11.072 -3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.807 8.924 -4.763 1.00 0.00 H new ATOM 815 N ILE A 57 6.752 8.326 -1.391 1.00 0.00 N ATOM 816 CA ILE A 57 6.154 7.572 -0.291 1.00 0.00 C ATOM 817 C ILE A 57 7.001 6.351 0.054 1.00 0.00 C ATOM 818 O ILE A 57 7.384 5.585 -0.834 1.00 0.00 O ATOM 819 CB ILE A 57 4.718 7.101 -0.630 1.00 0.00 C ATOM 820 CG1 ILE A 57 4.658 6.512 -2.046 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.728 8.248 -0.485 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.096 5.108 -2.096 1.00 0.00 C ATOM 0 H ILE A 57 7.310 7.760 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 57 6.111 8.247 0.564 1.00 0.00 H new ATOM 0 HB ILE A 57 4.442 6.318 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.048 7.161 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.662 6.508 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.725 7.896 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.745 8.616 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.004 9.055 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.084 4.757 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.718 4.445 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.080 5.109 -1.701 1.00 0.00 H new ATOM 834 N ASN A 58 7.289 6.168 1.340 1.00 0.00 N ATOM 835 CA ASN A 58 8.088 5.033 1.787 1.00 0.00 C ATOM 836 C ASN A 58 7.192 3.845 2.143 1.00 0.00 C ATOM 837 O ASN A 58 5.979 3.999 2.300 1.00 0.00 O ATOM 838 CB ASN A 58 8.953 5.423 2.989 1.00 0.00 C ATOM 839 CG ASN A 58 10.309 4.743 2.978 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.601 3.907 3.832 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.145 5.097 2.009 1.00 0.00 N ATOM 0 H ASN A 58 6.982 6.790 2.088 1.00 0.00 H new ATOM 0 HA ASN A 58 8.743 4.737 0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.093 6.504 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.428 5.164 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.070 4.671 1.953 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.862 5.795 1.321 1.00 0.00 H new ATOM 848 N VAL A 59 7.792 2.661 2.263 1.00 0.00 N ATOM 849 CA VAL A 59 7.043 1.450 2.589 1.00 0.00 C ATOM 850 C VAL A 59 7.789 0.568 3.595 1.00 0.00 C ATOM 851 O VAL A 59 9.021 0.518 3.597 1.00 0.00 O ATOM 852 CB VAL A 59 6.734 0.633 1.315 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.016 0.156 0.644 1.00 0.00 C ATOM 854 CG2 VAL A 59 5.823 -0.542 1.633 1.00 0.00 C ATOM 0 H VAL A 59 8.794 2.516 2.139 1.00 0.00 H new ATOM 0 HA VAL A 59 6.108 1.772 3.047 1.00 0.00 H new ATOM 0 HB VAL A 59 6.214 1.288 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.768 -0.416 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.624 1.017 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.575 -0.475 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.620 -1.102 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.310 -1.194 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.885 -0.173 2.049 1.00 0.00 H new ATOM 864 N LEU A 60 7.028 -0.127 4.443 1.00 0.00 N ATOM 865 CA LEU A 60 7.606 -1.014 5.451 1.00 0.00 C ATOM 866 C LEU A 60 7.417 -2.480 5.062 1.00 0.00 C ATOM 867 O LEU A 60 6.302 -2.916 4.765 1.00 0.00 O ATOM 868 CB LEU A 60 6.967 -0.753 6.820 1.00 0.00 C ATOM 869 CG LEU A 60 7.907 -0.904 8.022 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.517 -2.299 8.060 1.00 0.00 C ATOM 871 CD2 LEU A 60 8.998 0.158 7.989 1.00 0.00 C ATOM 0 H LEU A 60 6.009 -0.092 4.450 1.00 0.00 H new ATOM 0 HA LEU A 60 8.674 -0.806 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.558 0.257 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.128 -1.437 6.947 1.00 0.00 H new ATOM 0 HG LEU A 60 7.321 -0.764 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.180 -2.383 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.723 -3.041 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.085 -2.473 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.654 0.033 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.579 0.054 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.543 1.148 8.020 1.00 0.00 H new ATOM 883 N ARG A 61 8.517 -3.236 5.070 1.00 0.00 N ATOM 884 CA ARG A 61 8.489 -4.656 4.721 1.00 0.00 C ATOM 885 C ARG A 61 9.127 -5.504 5.822 1.00 0.00 C ATOM 886 O ARG A 61 10.082 -5.074 6.469 1.00 0.00 O ATOM 887 CB ARG A 61 9.224 -4.889 3.398 1.00 0.00 C ATOM 888 CG ARG A 61 8.296 -5.128 2.215 1.00 0.00 C ATOM 889 CD ARG A 61 8.792 -6.264 1.332 1.00 0.00 C ATOM 890 NE ARG A 61 9.338 -5.778 0.064 1.00 0.00 N ATOM 891 CZ ARG A 61 10.599 -5.361 -0.097 1.00 0.00 C ATOM 892 NH1 ARG A 61 11.446 -5.353 0.928 1.00 0.00 N ATOM 893 NH2 ARG A 61 11.008 -4.942 -1.291 1.00 0.00 N ATOM 0 H ARG A 61 9.443 -2.885 5.316 1.00 0.00 H new ATOM 0 HA ARG A 61 7.447 -4.957 4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.854 -4.025 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.887 -5.747 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.295 -5.360 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.217 -4.215 1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.558 -6.828 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.971 -6.952 1.132 1.00 0.00 H new ATOM 0 HE ARG A 61 8.719 -5.756 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.136 -5.667 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.405 -5.033 0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.361 -4.939 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.969 -4.623 -1.418 1.00 0.00 H new ATOM 907 N ASN A 62 8.598 -6.714 6.021 1.00 0.00 N ATOM 908 CA ASN A 62 9.121 -7.634 7.039 1.00 0.00 C ATOM 909 C ASN A 62 10.597 -7.970 6.794 1.00 0.00 C ATOM 910 O ASN A 62 11.299 -8.401 7.712 1.00 0.00 O ATOM 911 CB ASN A 62 8.301 -8.929 7.064 1.00 0.00 C ATOM 912 CG ASN A 62 7.123 -8.854 8.015 1.00 0.00 C ATOM 913 OD1 ASN A 62 6.061 -8.339 7.668 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.305 -9.371 9.226 1.00 0.00 N ATOM 0 H ASN A 62 7.807 -7.081 5.491 1.00 0.00 H new ATOM 0 HA ASN A 62 9.039 -7.131 8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.939 -9.145 6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.946 -9.758 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.547 -9.350 9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.202 -9.789 9.473 1.00 0.00 H new ATOM 921 N GLY A 63 11.059 -7.781 5.555 1.00 0.00 N ATOM 922 CA GLY A 63 12.441 -8.084 5.215 1.00 0.00 C ATOM 923 C GLY A 63 12.568 -9.270 4.271 1.00 0.00 C ATOM 924 O GLY A 63 13.610 -9.925 4.229 1.00 0.00 O ATOM 0 H GLY A 63 10.499 -7.423 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.898 -7.208 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.998 -8.291 6.129 1.00 0.00 H new ATOM 928 N GLU A 64 11.500 -9.547 3.517 1.00 0.00 N ATOM 929 CA GLU A 64 11.486 -10.658 2.568 1.00 0.00 C ATOM 930 C GLU A 64 11.310 -10.149 1.137 1.00 0.00 C ATOM 931 O GLU A 64 10.948 -8.990 0.920 1.00 0.00 O ATOM 932 CB GLU A 64 10.359 -11.634 2.921 1.00 0.00 C ATOM 933 CG GLU A 64 10.786 -13.095 2.909 1.00 0.00 C ATOM 934 CD GLU A 64 11.140 -13.625 4.289 1.00 0.00 C ATOM 935 OE1 GLU A 64 10.397 -13.332 5.251 1.00 0.00 O ATOM 936 OE2 GLU A 64 12.159 -14.336 4.405 1.00 0.00 O ATOM 0 H GLU A 64 10.632 -9.013 3.548 1.00 0.00 H new ATOM 0 HA GLU A 64 12.443 -11.177 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.973 -11.386 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.539 -11.499 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.981 -13.699 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.647 -13.210 2.250 1.00 0.00 H new ATOM 943 N ALA A 65 11.563 -11.027 0.165 1.00 0.00 N ATOM 944 CA ALA A 65 11.431 -10.669 -1.246 1.00 0.00 C ATOM 945 C ALA A 65 9.961 -10.604 -1.661 1.00 0.00 C ATOM 946 O ALA A 65 9.272 -11.624 -1.697 1.00 0.00 O ATOM 947 CB ALA A 65 12.189 -11.661 -2.122 1.00 0.00 C ATOM 0 H ALA A 65 11.860 -11.989 0.330 1.00 0.00 H new ATOM 0 HA ALA A 65 11.865 -9.679 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.080 -11.379 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.245 -11.652 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.785 -12.662 -1.972 1.00 0.00 H new ATOM 953 N ALA A 66 9.489 -9.396 -1.974 1.00 0.00 N ATOM 954 CA ALA A 66 8.102 -9.196 -2.386 1.00 0.00 C ATOM 955 C ALA A 66 8.030 -8.559 -3.774 1.00 0.00 C ATOM 956 O ALA A 66 8.601 -7.492 -4.008 1.00 0.00 O ATOM 957 CB ALA A 66 7.364 -8.343 -1.364 1.00 0.00 C ATOM 0 H ALA A 66 10.048 -8.543 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 66 7.617 -10.171 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.332 -8.203 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.378 -8.842 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.853 -7.372 -1.279 1.00 0.00 H new ATOM 963 N ALA A 67 7.330 -9.226 -4.694 1.00 0.00 N ATOM 964 CA ALA A 67 7.187 -8.733 -6.064 1.00 0.00 C ATOM 965 C ALA A 67 6.040 -7.726 -6.186 1.00 0.00 C ATOM 966 O ALA A 67 5.201 -7.616 -5.291 1.00 0.00 O ATOM 967 CB ALA A 67 6.966 -9.896 -7.022 1.00 0.00 C ATOM 0 H ALA A 67 6.853 -10.110 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 67 8.111 -8.219 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.861 -9.516 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.818 -10.574 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.060 -10.432 -6.740 1.00 0.00 H new ATOM 973 N LEU A 68 6.012 -6.998 -7.306 1.00 0.00 N ATOM 974 CA LEU A 68 4.969 -6.003 -7.555 1.00 0.00 C ATOM 975 C LEU A 68 3.996 -6.477 -8.640 1.00 0.00 C ATOM 976 O LEU A 68 2.788 -6.256 -8.535 1.00 0.00 O ATOM 977 CB LEU A 68 5.593 -4.649 -7.935 1.00 0.00 C ATOM 978 CG LEU A 68 5.951 -4.462 -9.416 1.00 0.00 C ATOM 979 CD1 LEU A 68 4.802 -3.808 -10.175 1.00 0.00 C ATOM 980 CD2 LEU A 68 7.218 -3.628 -9.554 1.00 0.00 C ATOM 0 H LEU A 68 6.701 -7.080 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 68 4.401 -5.875 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.899 -3.859 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.498 -4.510 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 68 6.130 -5.446 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.080 -3.686 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.915 -4.438 -10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.588 -2.831 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.459 -3.504 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.061 -2.649 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.043 -4.133 -9.051 1.00 0.00 H new ATOM 992 N GLY A 69 4.524 -7.133 -9.675 1.00 0.00 N ATOM 993 CA GLY A 69 3.682 -7.627 -10.756 1.00 0.00 C ATOM 994 C GLY A 69 3.173 -9.041 -10.519 1.00 0.00 C ATOM 995 O GLY A 69 2.852 -9.752 -11.473 1.00 0.00 O ATOM 0 H GLY A 69 5.519 -7.331 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.831 -6.957 -10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.246 -7.602 -11.688 1.00 0.00 H new ATOM 999 N GLU A 70 3.091 -9.448 -9.248 1.00 0.00 N ATOM 1000 CA GLU A 70 2.612 -10.780 -8.895 1.00 0.00 C ATOM 1001 C GLU A 70 2.212 -10.844 -7.423 1.00 0.00 C ATOM 1002 O GLU A 70 3.056 -11.057 -6.550 1.00 0.00 O ATOM 1003 CB GLU A 70 3.689 -11.830 -9.184 1.00 0.00 C ATOM 1004 CG GLU A 70 3.452 -12.623 -10.462 1.00 0.00 C ATOM 1005 CD GLU A 70 4.713 -12.795 -11.288 1.00 0.00 C ATOM 1006 OE1 GLU A 70 5.794 -13.004 -10.695 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.623 -12.722 -12.532 1.00 0.00 O ATOM 0 H GLU A 70 3.351 -8.870 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 70 1.733 -10.992 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.657 -11.334 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.742 -12.522 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.053 -13.605 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.695 -12.118 -11.063 1.00 0.00 H new ATOM 1014 N ALA A 71 0.917 -10.668 -7.152 1.00 0.00 N ATOM 1015 CA ALA A 71 0.407 -10.720 -5.781 1.00 0.00 C ATOM 1016 C ALA A 71 0.447 -12.146 -5.214 1.00 0.00 C ATOM 1017 O ALA A 71 0.182 -12.351 -4.028 1.00 0.00 O ATOM 1018 CB ALA A 71 -1.009 -10.169 -5.722 1.00 0.00 C ATOM 0 H ALA A 71 0.205 -10.489 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 71 1.057 -10.100 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.375 -10.214 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.011 -9.134 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.658 -10.764 -6.365 1.00 0.00 H new ATOM 1024 N THR A 72 0.792 -13.124 -6.059 1.00 0.00 N ATOM 1025 CA THR A 72 0.879 -14.520 -5.632 1.00 0.00 C ATOM 1026 C THR A 72 2.156 -14.785 -4.810 1.00 0.00 C ATOM 1027 O THR A 72 2.402 -15.918 -4.388 1.00 0.00 O ATOM 1028 CB THR A 72 0.828 -15.445 -6.858 1.00 0.00 C ATOM 1029 OG1 THR A 72 0.944 -16.806 -6.478 1.00 0.00 O ATOM 1030 CG2 THR A 72 1.910 -15.156 -7.880 1.00 0.00 C ATOM 0 H THR A 72 1.015 -12.972 -7.043 1.00 0.00 H new ATOM 0 HA THR A 72 0.026 -14.730 -4.987 1.00 0.00 H new ATOM 0 HB THR A 72 -0.141 -15.249 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.365 -16.864 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.813 -15.847 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.807 -14.132 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.889 -15.281 -7.418 1.00 0.00 H new ATOM 1038 N ALA A 73 2.963 -13.741 -4.585 1.00 0.00 N ATOM 1039 CA ALA A 73 4.201 -13.869 -3.816 1.00 0.00 C ATOM 1040 C ALA A 73 3.914 -14.122 -2.333 1.00 0.00 C ATOM 1041 O ALA A 73 2.755 -14.228 -1.921 1.00 0.00 O ATOM 1042 CB ALA A 73 5.051 -12.616 -3.988 1.00 0.00 C ATOM 0 H ALA A 73 2.778 -12.798 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 73 4.751 -14.730 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.971 -12.719 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.295 -12.484 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.496 -11.748 -3.633 1.00 0.00 H new ATOM 1048 N ALA A 74 4.978 -14.223 -1.536 1.00 0.00 N ATOM 1049 CA ALA A 74 4.849 -14.468 -0.103 1.00 0.00 C ATOM 1050 C ALA A 74 4.746 -13.159 0.682 1.00 0.00 C ATOM 1051 O ALA A 74 5.750 -12.625 1.158 1.00 0.00 O ATOM 1052 CB ALA A 74 6.022 -15.299 0.401 1.00 0.00 C ATOM 0 H ALA A 74 5.941 -14.138 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 74 3.926 -15.026 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.911 -15.473 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.042 -16.255 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.953 -14.764 0.215 1.00 0.00 H new ATOM 1058 N GLY A 75 3.521 -12.651 0.816 1.00 0.00 N ATOM 1059 CA GLY A 75 3.300 -11.413 1.550 1.00 0.00 C ATOM 1060 C GLY A 75 3.533 -10.171 0.708 1.00 0.00 C ATOM 1061 O GLY A 75 4.225 -10.224 -0.312 1.00 0.00 O ATOM 0 H GLY A 75 2.677 -13.075 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.278 -11.400 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.962 -11.388 2.415 1.00 0.00 H new ATOM 1065 N ASP A 76 2.955 -9.049 1.144 1.00 0.00 N ATOM 1066 CA ASP A 76 3.103 -7.782 0.432 1.00 0.00 C ATOM 1067 C ASP A 76 3.983 -6.823 1.236 1.00 0.00 C ATOM 1068 O ASP A 76 5.163 -6.650 0.930 1.00 0.00 O ATOM 1069 CB ASP A 76 1.727 -7.157 0.150 1.00 0.00 C ATOM 1070 CG ASP A 76 0.896 -7.956 -0.849 1.00 0.00 C ATOM 1071 OD1 ASP A 76 1.208 -9.143 -1.083 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -0.075 -7.393 -1.392 1.00 0.00 O ATOM 0 H ASP A 76 2.381 -8.994 1.986 1.00 0.00 H new ATOM 0 HA ASP A 76 3.589 -7.974 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.175 -7.073 1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.866 -6.145 -0.230 1.00 0.00 H new ATOM 1077 N GLU A 77 3.405 -6.218 2.274 1.00 0.00 N ATOM 1078 CA GLU A 77 4.137 -5.289 3.139 1.00 0.00 C ATOM 1079 C GLU A 77 3.466 -5.180 4.510 1.00 0.00 C ATOM 1080 O GLU A 77 2.503 -5.893 4.797 1.00 0.00 O ATOM 1081 CB GLU A 77 4.238 -3.906 2.480 1.00 0.00 C ATOM 1082 CG GLU A 77 2.901 -3.335 2.038 1.00 0.00 C ATOM 1083 CD GLU A 77 3.049 -2.057 1.237 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.579 -2.121 0.107 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.636 -0.991 1.742 1.00 0.00 O ATOM 0 H GLU A 77 2.429 -6.354 2.538 1.00 0.00 H new ATOM 0 HA GLU A 77 5.145 -5.679 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.704 -3.213 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.897 -3.974 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.374 -4.077 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.285 -3.140 2.916 1.00 0.00 H new ATOM 1092 N LEU A 78 3.982 -4.288 5.354 1.00 0.00 N ATOM 1093 CA LEU A 78 3.429 -4.089 6.692 1.00 0.00 C ATOM 1094 C LEU A 78 2.688 -2.755 6.784 1.00 0.00 C ATOM 1095 O LEU A 78 1.651 -2.655 7.443 1.00 0.00 O ATOM 1096 CB LEU A 78 4.545 -4.134 7.740 1.00 0.00 C ATOM 1097 CG LEU A 78 4.923 -5.530 8.241 1.00 0.00 C ATOM 1098 CD1 LEU A 78 6.035 -5.432 9.276 1.00 0.00 C ATOM 1099 CD2 LEU A 78 3.709 -6.245 8.823 1.00 0.00 C ATOM 0 H LEU A 78 4.781 -3.693 5.135 1.00 0.00 H new ATOM 0 HA LEU A 78 2.720 -4.894 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.434 -3.665 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.241 -3.530 8.595 1.00 0.00 H new ATOM 0 HG LEU A 78 5.284 -6.115 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.296 -6.431 9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.911 -4.965 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.696 -4.830 10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.003 -7.235 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.313 -5.668 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.942 -6.344 8.055 1.00 0.00 H new ATOM 1111 N ALA A 79 3.231 -1.732 6.119 1.00 0.00 N ATOM 1112 CA ALA A 79 2.635 -0.401 6.120 1.00 0.00 C ATOM 1113 C ALA A 79 3.263 0.484 5.042 1.00 0.00 C ATOM 1114 O ALA A 79 4.253 0.104 4.416 1.00 0.00 O ATOM 1115 CB ALA A 79 2.801 0.246 7.488 1.00 0.00 C ATOM 0 H ALA A 79 4.088 -1.805 5.571 1.00 0.00 H new ATOM 0 HA ALA A 79 1.573 -0.505 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.352 1.239 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.308 -0.367 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.862 0.329 7.725 1.00 0.00 H new ATOM 1121 N LEU A 80 2.685 1.667 4.840 1.00 0.00 N ATOM 1122 CA LEU A 80 3.187 2.616 3.849 1.00 0.00 C ATOM 1123 C LEU A 80 3.196 4.032 4.428 1.00 0.00 C ATOM 1124 O LEU A 80 2.171 4.718 4.442 1.00 0.00 O ATOM 1125 CB LEU A 80 2.335 2.564 2.575 1.00 0.00 C ATOM 1126 CG LEU A 80 2.935 3.273 1.359 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.546 2.555 0.075 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.491 4.730 1.319 1.00 0.00 C ATOM 0 H LEU A 80 1.865 1.992 5.352 1.00 0.00 H new ATOM 0 HA LEU A 80 4.209 2.339 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.160 1.520 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.362 3.006 2.790 1.00 0.00 H new ATOM 0 HG LEU A 80 4.021 3.249 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.982 3.074 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.916 1.530 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.460 2.546 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.927 5.219 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.404 4.777 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.824 5.237 2.225 1.00 0.00 H new ATOM 1140 N PHE A 81 4.362 4.454 4.915 1.00 0.00 N ATOM 1141 CA PHE A 81 4.516 5.780 5.510 1.00 0.00 C ATOM 1142 C PHE A 81 5.384 6.673 4.622 1.00 0.00 C ATOM 1143 O PHE A 81 6.412 6.233 4.112 1.00 0.00 O ATOM 1144 CB PHE A 81 5.142 5.661 6.904 1.00 0.00 C ATOM 1145 CG PHE A 81 4.188 5.186 7.969 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.451 4.020 7.804 1.00 0.00 C ATOM 1147 CD2 PHE A 81 4.031 5.908 9.142 1.00 0.00 C ATOM 1148 CE1 PHE A 81 2.580 3.588 8.786 1.00 0.00 C ATOM 1149 CE2 PHE A 81 3.160 5.479 10.127 1.00 0.00 C ATOM 1150 CZ PHE A 81 2.434 4.319 9.949 1.00 0.00 C ATOM 0 H PHE A 81 5.215 3.895 4.909 1.00 0.00 H new ATOM 0 HA PHE A 81 3.529 6.235 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.986 4.973 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.540 6.633 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.560 3.444 6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.596 6.817 9.288 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.014 2.679 8.644 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.048 6.052 11.036 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.753 3.983 10.717 1.00 0.00 H new ATOM 1160 N PRO A 82 4.982 7.945 4.425 1.00 0.00 N ATOM 1161 CA PRO A 82 5.737 8.888 3.594 1.00 0.00 C ATOM 1162 C PRO A 82 7.008 9.384 4.282 1.00 0.00 C ATOM 1163 O PRO A 82 7.065 9.461 5.511 1.00 0.00 O ATOM 1164 CB PRO A 82 4.752 10.040 3.387 1.00 0.00 C ATOM 1165 CG PRO A 82 3.878 10.007 4.593 1.00 0.00 C ATOM 1166 CD PRO A 82 3.766 8.560 4.995 1.00 0.00 C ATOM 0 HA PRO A 82 6.081 8.431 2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.271 10.995 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.172 9.907 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.306 10.602 5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.896 10.427 4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.730 8.447 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.861 8.102 4.596 1.00 0.00 H new ATOM 1174 N PRO A 83 8.050 9.730 3.495 1.00 0.00 N ATOM 1175 CA PRO A 83 9.327 10.224 4.034 1.00 0.00 C ATOM 1176 C PRO A 83 9.135 11.430 4.955 1.00 0.00 C ATOM 1177 O PRO A 83 8.109 12.110 4.890 1.00 0.00 O ATOM 1178 CB PRO A 83 10.118 10.619 2.782 1.00 0.00 C ATOM 1179 CG PRO A 83 9.522 9.811 1.683 1.00 0.00 C ATOM 1180 CD PRO A 83 8.065 9.665 2.020 1.00 0.00 C ATOM 0 HA PRO A 83 9.830 9.475 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.031 11.687 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.180 10.403 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.652 10.305 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.005 8.837 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.468 10.461 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.660 8.721 1.655 1.00 0.00 H new