USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 59 MET CE :methyl 160:sc= -0.133 (180deg=-0.983) USER MOD Set 1.2: A 71 MET CE :methyl -129:sc= -0.0522 (180deg=-2.08!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 GLN : amide:sc= -1.99 K(o=-2,f=-2.7!) USER MOD Set 3.1: A 39 SER OG : rot -71:sc= -0.84 USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -128:sc= -0.0596 (180deg=-0.56) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -120:sc= 1.43 USER MOD Single : A 15 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.26) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 11:sc=-0.00122 USER MOD Single : A 38 TYR OH : rot 1:sc= 0.338 USER MOD Single : A 41 SER OG : rot -30:sc= 0.251 USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.191 (180deg=-1.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.987 (180deg=0.539) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -145:sc= -3.33! USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -0.134 (180deg=-0.792) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.598 9.987 -1.582 1.00 0.00 N ATOM 2 CA GLY A 1 -20.160 9.953 -3.046 1.00 0.00 C ATOM 3 C GLY A 1 -20.514 8.774 -3.888 1.00 0.00 C ATOM 4 O GLY A 1 -20.772 7.698 -3.389 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.272 10.872 -1.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.635 9.935 -1.529 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.185 9.177 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.572 10.838 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.075 10.055 -3.065 1.00 0.00 H new ATOM 10 N SER A 2 -20.534 8.943 -5.183 1.00 0.00 N ATOM 11 CA SER A 2 -20.883 7.804 -6.078 1.00 0.00 C ATOM 12 C SER A 2 -19.801 6.727 -5.978 1.00 0.00 C ATOM 13 O SER A 2 -20.008 5.676 -5.402 1.00 0.00 O ATOM 14 CB SER A 2 -20.976 8.300 -7.521 1.00 0.00 C ATOM 15 OG SER A 2 -22.116 9.139 -7.656 1.00 0.00 O ATOM 0 H SER A 2 -20.324 9.820 -5.659 1.00 0.00 H new ATOM 0 HA SER A 2 -21.842 7.385 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.073 8.848 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.049 7.454 -8.205 1.00 0.00 H new ATOM 0 HG SER A 2 -22.178 9.460 -8.580 1.00 0.00 H new ATOM 21 N MET A 3 -18.648 6.978 -6.534 1.00 0.00 N ATOM 22 CA MET A 3 -17.552 5.970 -6.467 1.00 0.00 C ATOM 23 C MET A 3 -16.676 6.251 -5.244 1.00 0.00 C ATOM 24 O MET A 3 -16.093 7.310 -5.118 1.00 0.00 O ATOM 25 CB MET A 3 -16.702 6.055 -7.735 1.00 0.00 C ATOM 26 CG MET A 3 -17.542 5.635 -8.943 1.00 0.00 C ATOM 27 SD MET A 3 -16.515 5.671 -10.434 1.00 0.00 S ATOM 28 CE MET A 3 -16.455 7.471 -10.625 1.00 0.00 C ATOM 0 H MET A 3 -18.417 7.838 -7.032 1.00 0.00 H new ATOM 0 HA MET A 3 -17.981 4.971 -6.385 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.334 7.072 -7.871 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.829 5.409 -7.644 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.944 4.634 -8.789 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.393 6.306 -9.058 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.750 7.739 -11.639 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.138 7.935 -9.914 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.441 7.823 -10.437 1.00 0.00 H new ATOM 38 N GLU A 4 -16.577 5.312 -4.345 1.00 0.00 N ATOM 39 CA GLU A 4 -15.741 5.529 -3.130 1.00 0.00 C ATOM 40 C GLU A 4 -14.445 4.725 -3.252 1.00 0.00 C ATOM 41 O GLU A 4 -14.309 3.874 -4.111 1.00 0.00 O ATOM 42 CB GLU A 4 -16.513 5.067 -1.892 1.00 0.00 C ATOM 43 CG GLU A 4 -16.865 3.584 -2.034 1.00 0.00 C ATOM 44 CD GLU A 4 -17.555 3.099 -0.757 1.00 0.00 C ATOM 45 OE1 GLU A 4 -17.202 3.584 0.304 1.00 0.00 O ATOM 46 OE2 GLU A 4 -18.424 2.250 -0.863 1.00 0.00 O ATOM 0 H GLU A 4 -17.038 4.404 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.503 6.589 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.913 5.225 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.422 5.658 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.520 3.435 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.962 3.001 -2.216 1.00 0.00 H new ATOM 53 N ARG A 5 -13.490 4.988 -2.404 1.00 0.00 N ATOM 54 CA ARG A 5 -12.205 4.237 -2.471 1.00 0.00 C ATOM 55 C ARG A 5 -11.554 4.461 -3.837 1.00 0.00 C ATOM 56 O ARG A 5 -11.983 3.919 -4.837 1.00 0.00 O ATOM 57 CB ARG A 5 -12.475 2.744 -2.274 1.00 0.00 C ATOM 58 CG ARG A 5 -11.160 2.020 -1.981 1.00 0.00 C ATOM 59 CD ARG A 5 -11.437 0.535 -1.740 1.00 0.00 C ATOM 60 NE ARG A 5 -11.981 -0.076 -2.986 1.00 0.00 N ATOM 61 CZ ARG A 5 -11.167 -0.539 -3.896 1.00 0.00 C ATOM 62 NH1 ARG A 5 -9.876 -0.466 -3.713 1.00 0.00 N ATOM 63 NH2 ARG A 5 -11.643 -1.074 -4.985 1.00 0.00 N ATOM 0 H ARG A 5 -13.544 5.691 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.536 4.592 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.175 2.596 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.940 2.327 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.472 2.141 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.679 2.458 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.520 0.026 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.148 0.414 -0.922 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.990 -0.132 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.505 -0.048 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.239 -0.827 -4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.652 -1.131 -5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.007 -1.436 -5.696 1.00 0.00 H new ATOM 77 N LYS A 6 -10.520 5.256 -3.890 1.00 0.00 N ATOM 78 CA LYS A 6 -9.845 5.516 -5.192 1.00 0.00 C ATOM 79 C LYS A 6 -8.542 4.716 -5.259 1.00 0.00 C ATOM 80 O LYS A 6 -7.574 5.030 -4.594 1.00 0.00 O ATOM 81 CB LYS A 6 -9.534 7.009 -5.317 1.00 0.00 C ATOM 82 CG LYS A 6 -10.839 7.806 -5.291 1.00 0.00 C ATOM 83 CD LYS A 6 -10.616 9.128 -4.554 1.00 0.00 C ATOM 84 CE LYS A 6 -11.908 9.946 -4.568 1.00 0.00 C ATOM 85 NZ LYS A 6 -11.687 11.238 -3.858 1.00 0.00 N ATOM 0 H LYS A 6 -10.114 5.737 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.501 5.212 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.886 7.326 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.996 7.203 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.181 7.998 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.620 7.229 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.306 8.936 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.812 9.690 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.222 10.132 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.710 9.387 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.566 11.794 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.407 11.050 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.934 11.772 -4.336 1.00 0.00 H new ATOM 99 N ARG A 7 -8.509 3.684 -6.057 1.00 0.00 N ATOM 100 CA ARG A 7 -7.272 2.859 -6.156 1.00 0.00 C ATOM 101 C ARG A 7 -6.180 3.660 -6.867 1.00 0.00 C ATOM 102 O ARG A 7 -6.436 4.689 -7.460 1.00 0.00 O ATOM 103 CB ARG A 7 -7.571 1.586 -6.953 1.00 0.00 C ATOM 104 CG ARG A 7 -8.652 1.878 -7.994 1.00 0.00 C ATOM 105 CD ARG A 7 -8.687 0.748 -9.024 1.00 0.00 C ATOM 106 NE ARG A 7 -9.041 -0.531 -8.347 1.00 0.00 N ATOM 107 CZ ARG A 7 -9.081 -1.643 -9.029 1.00 0.00 C ATOM 108 NH1 ARG A 7 -8.811 -1.633 -10.306 1.00 0.00 N ATOM 109 NH2 ARG A 7 -9.391 -2.762 -8.436 1.00 0.00 N ATOM 0 H ARG A 7 -9.284 3.377 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.933 2.591 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.665 1.230 -7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.902 0.793 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.623 1.972 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.449 2.828 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.416 0.974 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.717 0.657 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.252 -0.538 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.569 -0.757 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.842 -2.501 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.603 -2.769 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.422 -3.631 -8.970 1.00 0.00 H new ATOM 123 N TRP A 8 -4.961 3.196 -6.811 1.00 0.00 N ATOM 124 CA TRP A 8 -3.854 3.929 -7.487 1.00 0.00 C ATOM 125 C TRP A 8 -2.863 2.925 -8.078 1.00 0.00 C ATOM 126 O TRP A 8 -2.407 2.021 -7.407 1.00 0.00 O ATOM 127 CB TRP A 8 -3.135 4.819 -6.471 1.00 0.00 C ATOM 128 CG TRP A 8 -4.140 5.646 -5.734 1.00 0.00 C ATOM 129 CD1 TRP A 8 -4.533 5.435 -4.456 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.885 6.806 -6.205 1.00 0.00 C ATOM 131 NE1 TRP A 8 -5.471 6.392 -4.113 1.00 0.00 N ATOM 132 CE2 TRP A 8 -5.722 7.260 -5.159 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.917 7.501 -7.428 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.559 8.364 -5.317 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.758 8.614 -7.591 1.00 0.00 C ATOM 136 CH2 TRP A 8 -6.578 9.044 -6.539 1.00 0.00 C ATOM 0 H TRP A 8 -4.685 2.342 -6.327 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.263 4.548 -8.286 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.569 4.205 -5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.419 5.465 -6.979 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.173 4.648 -3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.922 6.450 -3.200 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.291 7.177 -8.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.188 8.691 -4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.773 9.142 -8.533 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -7.224 9.899 -6.672 1.00 0.00 H new ATOM 147 N GLU A 9 -2.524 3.077 -9.330 1.00 0.00 N ATOM 148 CA GLU A 9 -1.561 2.132 -9.960 1.00 0.00 C ATOM 149 C GLU A 9 -0.246 2.146 -9.180 1.00 0.00 C ATOM 150 O GLU A 9 0.227 3.185 -8.761 1.00 0.00 O ATOM 151 CB GLU A 9 -1.301 2.558 -11.407 1.00 0.00 C ATOM 152 CG GLU A 9 -0.556 3.896 -11.419 1.00 0.00 C ATOM 153 CD GLU A 9 -0.434 4.399 -12.858 1.00 0.00 C ATOM 154 OE1 GLU A 9 -1.403 4.284 -13.589 1.00 0.00 O ATOM 155 OE2 GLU A 9 0.629 4.889 -13.203 1.00 0.00 O ATOM 0 H GLU A 9 -2.873 3.815 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.979 1.126 -9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.713 1.798 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.244 2.650 -11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.089 4.627 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.434 3.777 -10.979 1.00 0.00 H new ATOM 162 N CYS A 10 0.349 1.003 -8.980 1.00 0.00 N ATOM 163 CA CYS A 10 1.631 0.950 -8.221 1.00 0.00 C ATOM 164 C CYS A 10 2.752 1.553 -9.071 1.00 0.00 C ATOM 165 O CYS A 10 2.965 1.159 -10.202 1.00 0.00 O ATOM 166 CB CYS A 10 1.967 -0.504 -7.887 1.00 0.00 C ATOM 167 SG CYS A 10 1.099 -1.603 -9.034 1.00 0.00 S ATOM 0 H CYS A 10 0.003 0.102 -9.310 1.00 0.00 H new ATOM 0 HA CYS A 10 1.530 1.519 -7.297 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.043 -0.665 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.676 -0.729 -6.861 1.00 0.00 H new ATOM 0 HG CYS A 10 0.319 -2.400 -8.365 1.00 0.00 H new ATOM 173 N PRO A 11 3.462 2.500 -8.525 1.00 0.00 N ATOM 174 CA PRO A 11 4.585 3.180 -9.234 1.00 0.00 C ATOM 175 C PRO A 11 5.827 2.290 -9.338 1.00 0.00 C ATOM 176 O PRO A 11 6.294 1.985 -10.417 1.00 0.00 O ATOM 177 CB PRO A 11 4.876 4.405 -8.365 1.00 0.00 C ATOM 178 CG PRO A 11 4.402 4.042 -6.995 1.00 0.00 C ATOM 179 CD PRO A 11 3.269 3.029 -7.166 1.00 0.00 C ATOM 0 HA PRO A 11 4.323 3.429 -10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.940 4.641 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.355 5.286 -8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.214 3.616 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.052 4.926 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.326 2.238 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.293 3.501 -7.057 1.00 0.00 H new ATOM 187 N ALA A 12 6.366 1.875 -8.223 1.00 0.00 N ATOM 188 CA ALA A 12 7.567 0.994 -8.261 1.00 0.00 C ATOM 189 C ALA A 12 7.221 -0.366 -7.654 1.00 0.00 C ATOM 190 O ALA A 12 7.790 -1.380 -8.010 1.00 0.00 O ATOM 191 CB ALA A 12 8.698 1.639 -7.457 1.00 0.00 C ATOM 0 H ALA A 12 6.027 2.108 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 12 7.887 0.860 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.577 0.995 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.945 2.609 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.379 1.774 -6.423 1.00 0.00 H new ATOM 197 N LEU A 13 6.290 -0.399 -6.739 1.00 0.00 N ATOM 198 CA LEU A 13 5.905 -1.696 -6.112 1.00 0.00 C ATOM 199 C LEU A 13 5.860 -2.786 -7.183 1.00 0.00 C ATOM 200 O LEU A 13 5.710 -2.509 -8.358 1.00 0.00 O ATOM 201 CB LEU A 13 4.526 -1.559 -5.464 1.00 0.00 C ATOM 202 CG LEU A 13 4.689 -1.272 -3.971 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.704 -0.143 -3.776 1.00 0.00 C ATOM 204 CD2 LEU A 13 3.341 -0.851 -3.384 1.00 0.00 C ATOM 0 H LEU A 13 5.780 0.416 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 13 6.638 -1.965 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.967 -0.754 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.952 -2.474 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 13 5.043 -2.170 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.820 0.062 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.665 -0.441 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.350 0.755 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.456 -0.646 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.988 0.047 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.617 -1.654 -3.523 1.00 0.00 H new ATOM 216 N PRO A 14 5.989 -4.019 -6.776 1.00 0.00 N ATOM 217 CA PRO A 14 5.944 -5.186 -7.704 1.00 0.00 C ATOM 218 C PRO A 14 4.563 -5.366 -8.341 1.00 0.00 C ATOM 219 O PRO A 14 3.554 -5.001 -7.771 1.00 0.00 O ATOM 220 CB PRO A 14 6.278 -6.380 -6.808 1.00 0.00 C ATOM 221 CG PRO A 14 5.952 -5.939 -5.419 1.00 0.00 C ATOM 222 CD PRO A 14 6.193 -4.435 -5.380 1.00 0.00 C ATOM 0 HA PRO A 14 6.633 -5.064 -8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.694 -7.257 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.329 -6.655 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.917 -6.174 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.580 -6.452 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.498 -3.934 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.199 -4.198 -5.033 1.00 0.00 H new ATOM 230 N GLN A 15 4.511 -5.924 -9.520 1.00 0.00 N ATOM 231 CA GLN A 15 3.199 -6.096 -10.205 1.00 0.00 C ATOM 232 C GLN A 15 2.271 -6.938 -9.327 1.00 0.00 C ATOM 233 O GLN A 15 2.595 -8.047 -8.950 1.00 0.00 O ATOM 234 CB GLN A 15 3.413 -6.802 -11.544 1.00 0.00 C ATOM 235 CG GLN A 15 4.282 -5.927 -12.451 1.00 0.00 C ATOM 236 CD GLN A 15 3.545 -4.622 -12.759 1.00 0.00 C ATOM 237 OE1 GLN A 15 2.417 -4.639 -13.208 1.00 0.00 O ATOM 238 NE2 GLN A 15 4.141 -3.483 -12.536 1.00 0.00 N ATOM 0 H GLN A 15 5.320 -6.268 -10.038 1.00 0.00 H new ATOM 0 HA GLN A 15 2.748 -5.119 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.893 -7.768 -11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.453 -6.998 -12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.234 -5.714 -11.965 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.508 -6.456 -13.376 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.089 -3.468 -12.159 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.659 -2.607 -12.739 1.00 0.00 H new ATOM 247 N GLY A 16 1.120 -6.421 -8.997 1.00 0.00 N ATOM 248 CA GLY A 16 0.158 -7.206 -8.173 1.00 0.00 C ATOM 249 C GLY A 16 -0.238 -6.394 -6.939 1.00 0.00 C ATOM 250 O GLY A 16 -1.311 -6.562 -6.393 1.00 0.00 O ATOM 0 H GLY A 16 0.804 -5.488 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.727 -7.449 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.609 -8.151 -7.870 1.00 0.00 H new ATOM 254 N TRP A 17 0.618 -5.516 -6.493 1.00 0.00 N ATOM 255 CA TRP A 17 0.284 -4.689 -5.300 1.00 0.00 C ATOM 256 C TRP A 17 -0.526 -3.467 -5.738 1.00 0.00 C ATOM 257 O TRP A 17 -0.290 -2.898 -6.787 1.00 0.00 O ATOM 258 CB TRP A 17 1.576 -4.228 -4.620 1.00 0.00 C ATOM 259 CG TRP A 17 2.267 -5.408 -4.016 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.579 -6.547 -4.676 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.736 -5.585 -2.649 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.210 -7.412 -3.801 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.331 -6.864 -2.538 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.704 -4.768 -1.504 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.875 -7.317 -1.336 1.00 0.00 C ATOM 266 CZ3 TRP A 17 3.251 -5.220 -0.291 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.834 -6.492 -0.208 1.00 0.00 C ATOM 0 H TRP A 17 1.534 -5.336 -6.903 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.303 -5.282 -4.599 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.229 -3.742 -5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.351 -3.490 -3.850 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.369 -6.748 -5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.545 -8.341 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.256 -3.787 -1.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.324 -8.297 -1.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.222 -4.584 0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.251 -6.835 0.727 1.00 0.00 H new ATOM 278 N GLU A 18 -1.479 -3.059 -4.946 1.00 0.00 N ATOM 279 CA GLU A 18 -2.319 -1.890 -5.331 1.00 0.00 C ATOM 280 C GLU A 18 -2.503 -0.972 -4.122 1.00 0.00 C ATOM 281 O GLU A 18 -2.473 -1.409 -2.988 1.00 0.00 O ATOM 282 CB GLU A 18 -3.687 -2.382 -5.810 1.00 0.00 C ATOM 283 CG GLU A 18 -4.464 -1.216 -6.425 1.00 0.00 C ATOM 284 CD GLU A 18 -5.808 -1.720 -6.954 1.00 0.00 C ATOM 285 OE1 GLU A 18 -6.196 -2.815 -6.582 1.00 0.00 O ATOM 286 OE2 GLU A 18 -6.426 -1.001 -7.722 1.00 0.00 O ATOM 0 H GLU A 18 -1.712 -3.485 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.828 -1.339 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.562 -3.177 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.246 -2.805 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.624 -0.438 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.888 -0.768 -7.234 1.00 0.00 H new ATOM 293 N ARG A 19 -2.693 0.298 -4.353 1.00 0.00 N ATOM 294 CA ARG A 19 -2.915 1.238 -3.218 1.00 0.00 C ATOM 295 C ARG A 19 -4.261 1.944 -3.397 1.00 0.00 C ATOM 296 O ARG A 19 -4.833 1.948 -4.469 1.00 0.00 O ATOM 297 CB ARG A 19 -1.793 2.278 -3.190 1.00 0.00 C ATOM 298 CG ARG A 19 -0.451 1.588 -3.441 1.00 0.00 C ATOM 299 CD ARG A 19 0.668 2.632 -3.430 1.00 0.00 C ATOM 300 NE ARG A 19 0.474 3.581 -4.563 1.00 0.00 N ATOM 301 CZ ARG A 19 0.051 4.793 -4.335 1.00 0.00 C ATOM 302 NH1 ARG A 19 -0.203 5.176 -3.112 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.120 5.623 -5.327 1.00 0.00 N ATOM 0 H ARG A 19 -2.704 0.726 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.918 0.682 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.970 3.040 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.778 2.786 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.268 0.835 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.470 1.069 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.665 3.173 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.638 2.142 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 19 0.672 3.282 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.070 4.527 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.534 6.124 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.077 5.324 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.451 6.571 -5.148 1.00 0.00 H new ATOM 317 N GLU A 20 -4.773 2.540 -2.355 1.00 0.00 N ATOM 318 CA GLU A 20 -6.087 3.235 -2.466 1.00 0.00 C ATOM 319 C GLU A 20 -6.187 4.314 -1.385 1.00 0.00 C ATOM 320 O GLU A 20 -5.968 4.059 -0.217 1.00 0.00 O ATOM 321 CB GLU A 20 -7.217 2.220 -2.280 1.00 0.00 C ATOM 322 CG GLU A 20 -6.879 1.284 -1.117 1.00 0.00 C ATOM 323 CD GLU A 20 -8.060 0.351 -0.852 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.296 -0.523 -1.669 1.00 0.00 O ATOM 325 OE2 GLU A 20 -8.712 0.528 0.165 1.00 0.00 O ATOM 0 H GLU A 20 -4.339 2.576 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.172 3.698 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.156 2.738 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.357 1.644 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.988 0.702 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.653 1.865 -0.223 1.00 0.00 H new ATOM 332 N GLU A 21 -6.517 5.517 -1.765 1.00 0.00 N ATOM 333 CA GLU A 21 -6.656 6.606 -0.757 1.00 0.00 C ATOM 334 C GLU A 21 -8.098 6.642 -0.246 1.00 0.00 C ATOM 335 O GLU A 21 -9.039 6.580 -1.011 1.00 0.00 O ATOM 336 CB GLU A 21 -6.310 7.948 -1.405 1.00 0.00 C ATOM 337 CG GLU A 21 -4.798 8.037 -1.621 1.00 0.00 C ATOM 338 CD GLU A 21 -4.462 9.333 -2.361 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.367 10.124 -2.569 1.00 0.00 O ATOM 340 OE2 GLU A 21 -3.306 9.513 -2.707 1.00 0.00 O ATOM 0 H GLU A 21 -6.697 5.794 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.978 6.421 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.830 8.049 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.646 8.768 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.281 8.009 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.451 7.178 -2.195 1.00 0.00 H new ATOM 347 N VAL A 22 -8.279 6.741 1.042 1.00 0.00 N ATOM 348 CA VAL A 22 -9.661 6.779 1.598 1.00 0.00 C ATOM 349 C VAL A 22 -9.745 7.845 2.693 1.00 0.00 C ATOM 350 O VAL A 22 -9.336 7.626 3.817 1.00 0.00 O ATOM 351 CB VAL A 22 -10.010 5.413 2.191 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.239 5.545 3.091 1.00 0.00 C ATOM 353 CG2 VAL A 22 -10.313 4.429 1.058 1.00 0.00 C ATOM 0 H VAL A 22 -7.531 6.797 1.733 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.364 7.021 0.801 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.168 5.046 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.487 4.571 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.026 6.246 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.082 5.912 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.562 3.455 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.155 4.797 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.438 4.334 0.415 1.00 0.00 H new ATOM 363 N PRO A 23 -10.274 8.990 2.362 1.00 0.00 N ATOM 364 CA PRO A 23 -10.441 10.113 3.329 1.00 0.00 C ATOM 365 C PRO A 23 -11.214 9.689 4.580 1.00 0.00 C ATOM 366 O PRO A 23 -12.259 9.074 4.498 1.00 0.00 O ATOM 367 CB PRO A 23 -11.235 11.154 2.537 1.00 0.00 C ATOM 368 CG PRO A 23 -10.977 10.840 1.100 1.00 0.00 C ATOM 369 CD PRO A 23 -10.773 9.339 1.024 1.00 0.00 C ATOM 0 HA PRO A 23 -9.482 10.481 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.299 11.095 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.911 12.165 2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.816 11.151 0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.097 11.371 0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.703 8.819 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.058 9.070 0.247 1.00 0.00 H new ATOM 377 N ARG A 24 -10.707 10.009 5.739 1.00 0.00 N ATOM 378 CA ARG A 24 -11.419 9.631 6.993 1.00 0.00 C ATOM 379 C ARG A 24 -12.634 10.540 7.185 1.00 0.00 C ATOM 380 O ARG A 24 -12.711 11.616 6.627 1.00 0.00 O ATOM 381 CB ARG A 24 -10.471 9.787 8.185 1.00 0.00 C ATOM 382 CG ARG A 24 -9.296 8.820 8.032 1.00 0.00 C ATOM 383 CD ARG A 24 -8.320 9.014 9.194 1.00 0.00 C ATOM 384 NE ARG A 24 -8.979 8.609 10.468 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.360 8.777 11.605 1.00 0.00 C ATOM 386 NH1 ARG A 24 -7.164 9.298 11.627 1.00 0.00 N ATOM 387 NH2 ARG A 24 -8.938 8.423 12.720 1.00 0.00 N ATOM 0 H ARG A 24 -9.832 10.515 5.872 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.749 8.594 6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.107 10.813 8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.003 9.586 9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.657 7.792 8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.788 8.995 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.421 8.419 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.006 10.056 9.250 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.914 8.201 10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.712 9.574 10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.681 9.429 12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.873 8.015 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.455 8.554 13.609 1.00 0.00 H new ATOM 401 N ARG A 25 -13.586 10.114 7.970 1.00 0.00 N ATOM 402 CA ARG A 25 -14.795 10.954 8.199 1.00 0.00 C ATOM 403 C ARG A 25 -15.593 10.392 9.378 1.00 0.00 C ATOM 404 O ARG A 25 -16.762 10.678 9.540 1.00 0.00 O ATOM 405 CB ARG A 25 -15.668 10.943 6.941 1.00 0.00 C ATOM 406 CG ARG A 25 -16.666 12.101 7.003 1.00 0.00 C ATOM 407 CD ARG A 25 -17.493 12.131 5.715 1.00 0.00 C ATOM 408 NE ARG A 25 -18.340 13.357 5.698 1.00 0.00 N ATOM 409 CZ ARG A 25 -19.132 13.587 4.685 1.00 0.00 C ATOM 410 NH1 ARG A 25 -19.182 12.743 3.690 1.00 0.00 N ATOM 411 NH2 ARG A 25 -19.873 14.661 4.668 1.00 0.00 N ATOM 0 H ARG A 25 -13.578 9.221 8.462 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.490 11.976 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.044 11.034 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.199 9.995 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.321 11.985 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.136 13.045 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.834 12.119 4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -18.120 11.242 5.652 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.301 14.015 6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.603 11.904 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.801 12.923 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.833 15.320 5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.492 14.841 3.877 1.00 0.00 H new ATOM 425 N SER A 26 -14.969 9.595 10.200 1.00 0.00 N ATOM 426 CA SER A 26 -15.693 9.010 11.363 1.00 0.00 C ATOM 427 C SER A 26 -14.713 8.791 12.519 1.00 0.00 C ATOM 428 O SER A 26 -15.009 9.081 13.661 1.00 0.00 O ATOM 429 CB SER A 26 -16.312 7.672 10.959 1.00 0.00 C ATOM 430 OG SER A 26 -16.226 6.766 12.052 1.00 0.00 O ATOM 0 H SER A 26 -13.989 9.323 10.117 1.00 0.00 H new ATOM 0 HA SER A 26 -16.481 9.693 11.680 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.353 7.813 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.792 7.265 10.092 1.00 0.00 H new ATOM 0 HG SER A 26 -16.624 5.907 11.797 1.00 0.00 H new ATOM 436 N GLY A 27 -13.547 8.281 12.229 1.00 0.00 N ATOM 437 CA GLY A 27 -12.551 8.040 13.311 1.00 0.00 C ATOM 438 C GLY A 27 -12.383 9.312 14.145 1.00 0.00 C ATOM 439 O GLY A 27 -12.641 10.406 13.684 1.00 0.00 O ATOM 0 H GLY A 27 -13.242 8.021 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.880 7.217 13.946 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.594 7.746 12.880 1.00 0.00 H new ATOM 443 N LEU A 28 -11.955 9.176 15.370 1.00 0.00 N ATOM 444 CA LEU A 28 -11.775 10.377 16.234 1.00 0.00 C ATOM 445 C LEU A 28 -10.715 11.294 15.619 1.00 0.00 C ATOM 446 O LEU A 28 -10.858 12.500 15.601 1.00 0.00 O ATOM 447 CB LEU A 28 -11.325 9.941 17.629 1.00 0.00 C ATOM 448 CG LEU A 28 -11.111 11.175 18.506 1.00 0.00 C ATOM 449 CD1 LEU A 28 -12.411 11.977 18.587 1.00 0.00 C ATOM 450 CD2 LEU A 28 -10.697 10.734 19.912 1.00 0.00 C ATOM 0 H LEU A 28 -11.722 8.286 15.810 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.721 10.914 16.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.075 9.289 18.077 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.402 9.366 17.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.328 11.797 18.073 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.258 12.856 19.212 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.708 12.291 17.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.195 11.356 19.020 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.544 11.613 20.539 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.481 10.112 20.344 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.771 10.163 19.856 1.00 0.00 H new ATOM 462 N SER A 29 -9.653 10.731 15.114 1.00 0.00 N ATOM 463 CA SER A 29 -8.582 11.570 14.506 1.00 0.00 C ATOM 464 C SER A 29 -8.960 11.912 13.063 1.00 0.00 C ATOM 465 O SER A 29 -8.148 12.380 12.292 1.00 0.00 O ATOM 466 CB SER A 29 -7.261 10.800 14.517 1.00 0.00 C ATOM 467 OG SER A 29 -6.859 10.578 15.863 1.00 0.00 O ATOM 0 H SER A 29 -9.480 9.726 15.096 1.00 0.00 H new ATOM 0 HA SER A 29 -8.471 12.489 15.081 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.377 9.848 13.998 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.494 11.362 13.984 1.00 0.00 H new ATOM 0 HG SER A 29 -6.013 10.083 15.874 1.00 0.00 H new ATOM 473 N ALA A 30 -10.191 11.680 12.693 1.00 0.00 N ATOM 474 CA ALA A 30 -10.622 11.998 11.302 1.00 0.00 C ATOM 475 C ALA A 30 -10.042 13.351 10.885 1.00 0.00 C ATOM 476 O ALA A 30 -9.503 14.082 11.692 1.00 0.00 O ATOM 477 CB ALA A 30 -12.149 12.059 11.243 1.00 0.00 C ATOM 0 H ALA A 30 -10.915 11.285 13.293 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.262 11.224 10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.465 12.292 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.563 11.096 11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.509 12.833 11.921 1.00 0.00 H new ATOM 483 N GLY A 31 -10.147 13.690 9.629 1.00 0.00 N ATOM 484 CA GLY A 31 -9.591 14.991 9.159 1.00 0.00 C ATOM 485 C GLY A 31 -8.424 14.733 8.204 1.00 0.00 C ATOM 486 O GLY A 31 -8.122 15.538 7.346 1.00 0.00 O ATOM 0 H GLY A 31 -10.593 13.123 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.366 15.569 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.254 15.583 10.010 1.00 0.00 H new ATOM 490 N HIS A 32 -7.766 13.614 8.345 1.00 0.00 N ATOM 491 CA HIS A 32 -6.622 13.305 7.442 1.00 0.00 C ATOM 492 C HIS A 32 -7.027 12.199 6.466 1.00 0.00 C ATOM 493 O HIS A 32 -8.139 11.708 6.497 1.00 0.00 O ATOM 494 CB HIS A 32 -5.426 12.837 8.275 1.00 0.00 C ATOM 495 CG HIS A 32 -5.032 13.920 9.240 1.00 0.00 C ATOM 496 ND1 HIS A 32 -4.706 13.651 10.563 1.00 0.00 N ATOM 497 CD2 HIS A 32 -4.906 15.281 9.093 1.00 0.00 C ATOM 498 CE1 HIS A 32 -4.403 14.822 11.152 1.00 0.00 C ATOM 499 NE2 HIS A 32 -4.511 15.843 10.300 1.00 0.00 N ATOM 0 H HIS A 32 -7.971 12.902 9.046 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.348 14.200 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.681 11.927 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.587 12.594 7.622 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.086 15.829 8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.109 14.923 12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.339 16.830 10.494 1.00 0.00 H new ATOM 508 N ARG A 33 -6.137 11.804 5.600 1.00 0.00 N ATOM 509 CA ARG A 33 -6.473 10.731 4.622 1.00 0.00 C ATOM 510 C ARG A 33 -5.638 9.485 4.922 1.00 0.00 C ATOM 511 O ARG A 33 -4.444 9.561 5.126 1.00 0.00 O ATOM 512 CB ARG A 33 -6.168 11.220 3.204 1.00 0.00 C ATOM 513 CG ARG A 33 -7.039 12.436 2.882 1.00 0.00 C ATOM 514 CD ARG A 33 -6.697 12.955 1.486 1.00 0.00 C ATOM 515 NE ARG A 33 -7.514 14.166 1.192 1.00 0.00 N ATOM 516 CZ ARG A 33 -7.299 14.850 0.101 1.00 0.00 C ATOM 517 NH1 ARG A 33 -6.367 14.473 -0.731 1.00 0.00 N ATOM 518 NH2 ARG A 33 -8.015 15.909 -0.157 1.00 0.00 N ATOM 0 H ARG A 33 -5.191 12.178 5.526 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.532 10.486 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.114 11.482 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.358 10.423 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.093 12.164 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.876 13.219 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.636 13.196 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.891 12.183 0.742 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.242 14.461 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.807 13.645 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.198 15.007 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.743 16.203 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.847 16.443 -1.010 1.00 0.00 H new ATOM 532 N ASP A 34 -6.260 8.338 4.950 1.00 0.00 N ATOM 533 CA ASP A 34 -5.501 7.087 5.241 1.00 0.00 C ATOM 534 C ASP A 34 -5.293 6.303 3.944 1.00 0.00 C ATOM 535 O ASP A 34 -6.193 6.171 3.137 1.00 0.00 O ATOM 536 CB ASP A 34 -6.292 6.231 6.234 1.00 0.00 C ATOM 537 CG ASP A 34 -7.743 6.116 5.765 1.00 0.00 C ATOM 538 OD1 ASP A 34 -7.953 6.005 4.569 1.00 0.00 O ATOM 539 OD2 ASP A 34 -8.621 6.141 6.613 1.00 0.00 O ATOM 0 H ASP A 34 -7.259 8.212 4.784 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.532 7.341 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.845 5.240 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.254 6.678 7.227 1.00 0.00 H new ATOM 544 N VAL A 35 -4.115 5.785 3.737 1.00 0.00 N ATOM 545 CA VAL A 35 -3.856 4.997 2.498 1.00 0.00 C ATOM 546 C VAL A 35 -3.668 3.523 2.861 1.00 0.00 C ATOM 547 O VAL A 35 -2.968 3.189 3.797 1.00 0.00 O ATOM 548 CB VAL A 35 -2.590 5.521 1.818 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.394 4.804 0.481 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.728 7.026 1.573 1.00 0.00 C ATOM 0 H VAL A 35 -3.321 5.872 4.371 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.702 5.098 1.819 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.729 5.334 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.492 5.178 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.296 3.732 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.255 4.991 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.826 7.400 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.589 7.213 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.867 7.538 2.525 1.00 0.00 H new ATOM 560 N PHE A 36 -4.286 2.639 2.128 1.00 0.00 N ATOM 561 CA PHE A 36 -4.149 1.188 2.437 1.00 0.00 C ATOM 562 C PHE A 36 -3.416 0.489 1.292 1.00 0.00 C ATOM 563 O PHE A 36 -3.512 0.887 0.147 1.00 0.00 O ATOM 564 CB PHE A 36 -5.538 0.570 2.610 1.00 0.00 C ATOM 565 CG PHE A 36 -6.111 0.982 3.944 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.780 2.205 4.070 1.00 0.00 C ATOM 567 CD2 PHE A 36 -5.973 0.141 5.055 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.311 2.588 5.307 1.00 0.00 C ATOM 569 CE2 PHE A 36 -6.505 0.524 6.291 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.175 1.747 6.418 1.00 0.00 C ATOM 0 H PHE A 36 -4.880 2.859 1.328 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.580 1.065 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.195 0.896 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.474 -0.516 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.886 2.853 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.456 -0.802 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.826 3.532 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.399 -0.124 7.148 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.586 2.041 7.372 1.00 0.00 H new ATOM 580 N TYR A 37 -2.685 -0.550 1.587 1.00 0.00 N ATOM 581 CA TYR A 37 -1.955 -1.280 0.512 1.00 0.00 C ATOM 582 C TYR A 37 -2.453 -2.724 0.448 1.00 0.00 C ATOM 583 O TYR A 37 -2.865 -3.295 1.439 1.00 0.00 O ATOM 584 CB TYR A 37 -0.455 -1.269 0.816 1.00 0.00 C ATOM 585 CG TYR A 37 0.085 0.129 0.636 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.318 1.153 1.504 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.988 0.404 -0.397 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.183 2.449 1.337 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.489 1.700 -0.564 1.00 0.00 C ATOM 590 CZ TYR A 37 1.087 2.723 0.304 1.00 0.00 C ATOM 591 OH TYR A 37 1.581 4.001 0.139 1.00 0.00 O ATOM 0 H TYR A 37 -2.561 -0.926 2.527 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.134 -0.792 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.277 -1.610 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.066 -1.960 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.015 0.942 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.299 -0.385 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.128 3.238 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.185 1.911 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 37 1.343 4.547 0.917 1.00 0.00 H new ATOM 601 N TYR A 38 -2.422 -3.321 -0.712 1.00 0.00 N ATOM 602 CA TYR A 38 -2.900 -4.726 -0.841 1.00 0.00 C ATOM 603 C TYR A 38 -1.848 -5.561 -1.571 1.00 0.00 C ATOM 604 O TYR A 38 -1.230 -5.109 -2.517 1.00 0.00 O ATOM 605 CB TYR A 38 -4.209 -4.747 -1.634 1.00 0.00 C ATOM 606 CG TYR A 38 -5.279 -4.014 -0.860 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.189 -2.629 -0.681 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.359 -4.722 -0.321 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.181 -1.950 0.037 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.352 -4.044 0.397 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.263 -2.657 0.577 1.00 0.00 C ATOM 612 OH TYR A 38 -8.240 -1.988 1.285 1.00 0.00 O ATOM 0 H TYR A 38 -2.086 -2.896 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.068 -5.144 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.064 -4.279 -2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.519 -5.776 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.354 -2.084 -1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.427 -5.791 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.112 -0.881 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.186 -4.590 0.812 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.033 -1.030 1.303 1.00 0.00 H new ATOM 622 N SER A 39 -1.638 -6.775 -1.143 1.00 0.00 N ATOM 623 CA SER A 39 -0.630 -7.640 -1.819 1.00 0.00 C ATOM 624 C SER A 39 -1.347 -8.758 -2.578 1.00 0.00 C ATOM 625 O SER A 39 -2.556 -8.878 -2.529 1.00 0.00 O ATOM 626 CB SER A 39 0.301 -8.252 -0.771 1.00 0.00 C ATOM 627 OG SER A 39 0.044 -9.646 -0.673 1.00 0.00 O ATOM 0 H SER A 39 -2.121 -7.206 -0.354 1.00 0.00 H new ATOM 0 HA SER A 39 -0.046 -7.041 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.341 -8.081 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.145 -7.773 0.195 1.00 0.00 H new ATOM 0 HG SER A 39 -0.824 -9.789 -0.241 1.00 0.00 H new ATOM 633 N PRO A 40 -0.601 -9.569 -3.277 1.00 0.00 N ATOM 634 CA PRO A 40 -1.158 -10.709 -4.059 1.00 0.00 C ATOM 635 C PRO A 40 -2.044 -11.621 -3.204 1.00 0.00 C ATOM 636 O PRO A 40 -3.008 -12.188 -3.679 1.00 0.00 O ATOM 637 CB PRO A 40 0.083 -11.466 -4.537 1.00 0.00 C ATOM 638 CG PRO A 40 1.188 -10.462 -4.533 1.00 0.00 C ATOM 639 CD PRO A 40 0.863 -9.484 -3.395 1.00 0.00 C ATOM 0 HA PRO A 40 -1.798 -10.366 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.311 -12.303 -3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.069 -11.879 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.153 -10.943 -4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.247 -9.943 -5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.358 -9.770 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.189 -8.471 -3.631 1.00 0.00 H new ATOM 647 N SER A 41 -1.724 -11.767 -1.948 1.00 0.00 N ATOM 648 CA SER A 41 -2.552 -12.634 -1.063 1.00 0.00 C ATOM 649 C SER A 41 -3.839 -11.899 -0.689 1.00 0.00 C ATOM 650 O SER A 41 -4.714 -12.447 -0.048 1.00 0.00 O ATOM 651 CB SER A 41 -1.766 -12.965 0.205 1.00 0.00 C ATOM 652 OG SER A 41 -2.476 -13.945 0.954 1.00 0.00 O ATOM 0 H SER A 41 -0.925 -11.323 -1.496 1.00 0.00 H new ATOM 0 HA SER A 41 -2.801 -13.557 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.774 -13.336 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.623 -12.065 0.804 1.00 0.00 H new ATOM 0 HG SER A 41 -3.438 -13.840 0.801 1.00 0.00 H new ATOM 658 N GLY A 42 -3.965 -10.660 -1.081 1.00 0.00 N ATOM 659 CA GLY A 42 -5.194 -9.891 -0.741 1.00 0.00 C ATOM 660 C GLY A 42 -5.094 -9.378 0.698 1.00 0.00 C ATOM 661 O GLY A 42 -6.072 -8.965 1.289 1.00 0.00 O ATOM 0 H GLY A 42 -3.269 -10.148 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.314 -9.054 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.074 -10.524 -0.852 1.00 0.00 H new ATOM 665 N LYS A 43 -3.919 -9.404 1.267 1.00 0.00 N ATOM 666 CA LYS A 43 -3.759 -8.920 2.666 1.00 0.00 C ATOM 667 C LYS A 43 -3.730 -7.390 2.676 1.00 0.00 C ATOM 668 O LYS A 43 -2.932 -6.771 1.999 1.00 0.00 O ATOM 669 CB LYS A 43 -2.450 -9.460 3.245 1.00 0.00 C ATOM 670 CG LYS A 43 -2.335 -9.052 4.716 1.00 0.00 C ATOM 671 CD LYS A 43 -0.966 -9.467 5.256 1.00 0.00 C ATOM 672 CE LYS A 43 -0.795 -8.936 6.680 1.00 0.00 C ATOM 673 NZ LYS A 43 0.517 -9.385 7.225 1.00 0.00 N ATOM 0 H LYS A 43 -3.064 -9.739 0.823 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.595 -9.271 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.421 -10.546 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.603 -9.070 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.466 -7.975 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.126 -9.525 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.875 -10.553 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.177 -9.076 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.848 -7.847 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.606 -9.296 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.633 -9.024 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.551 -10.424 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.285 -9.021 6.626 1.00 0.00 H new ATOM 687 N LYS A 44 -4.591 -6.775 3.439 1.00 0.00 N ATOM 688 CA LYS A 44 -4.611 -5.287 3.491 1.00 0.00 C ATOM 689 C LYS A 44 -3.774 -4.804 4.677 1.00 0.00 C ATOM 690 O LYS A 44 -4.033 -5.151 5.813 1.00 0.00 O ATOM 691 CB LYS A 44 -6.054 -4.801 3.654 1.00 0.00 C ATOM 692 CG LYS A 44 -6.806 -5.745 4.593 1.00 0.00 C ATOM 693 CD LYS A 44 -8.100 -5.074 5.063 1.00 0.00 C ATOM 694 CE LYS A 44 -7.851 -4.357 6.390 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.491 -5.356 7.435 1.00 0.00 N ATOM 0 H LYS A 44 -5.282 -7.239 4.029 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.194 -4.887 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.065 -3.787 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.549 -4.765 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.034 -6.680 4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.182 -5.996 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.446 -4.363 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.886 -5.820 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.048 -3.628 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.742 -3.806 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.837 -5.030 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.927 -6.272 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.457 -5.464 7.470 1.00 0.00 H new ATOM 709 N PHE A 45 -2.772 -4.008 4.424 1.00 0.00 N ATOM 710 CA PHE A 45 -1.936 -3.484 5.540 1.00 0.00 C ATOM 711 C PHE A 45 -1.534 -2.038 5.241 1.00 0.00 C ATOM 712 O PHE A 45 -1.482 -1.622 4.101 1.00 0.00 O ATOM 713 CB PHE A 45 -0.679 -4.343 5.683 1.00 0.00 C ATOM 714 CG PHE A 45 -0.190 -4.752 4.314 1.00 0.00 C ATOM 715 CD1 PHE A 45 0.324 -3.788 3.438 1.00 0.00 C ATOM 716 CD2 PHE A 45 -0.249 -6.095 3.920 1.00 0.00 C ATOM 717 CE1 PHE A 45 0.777 -4.166 2.168 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.203 -6.473 2.651 1.00 0.00 C ATOM 719 CZ PHE A 45 0.717 -5.508 1.774 1.00 0.00 C ATOM 0 H PHE A 45 -2.496 -3.698 3.492 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.507 -3.518 6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.098 -3.786 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.896 -5.227 6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.371 -2.753 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.644 -6.839 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.173 -3.422 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.156 -7.508 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.067 -5.800 0.795 1.00 0.00 H new ATOM 729 N ARG A 46 -1.251 -1.269 6.256 1.00 0.00 N ATOM 730 CA ARG A 46 -0.835 0.143 6.027 1.00 0.00 C ATOM 731 C ARG A 46 0.437 0.437 6.827 1.00 0.00 C ATOM 732 O ARG A 46 1.492 0.665 6.270 1.00 0.00 O ATOM 733 CB ARG A 46 -1.952 1.084 6.484 1.00 0.00 C ATOM 734 CG ARG A 46 -2.849 0.363 7.491 1.00 0.00 C ATOM 735 CD ARG A 46 -3.867 1.347 8.066 1.00 0.00 C ATOM 736 NE ARG A 46 -4.768 0.634 9.015 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.690 1.294 9.662 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.823 2.580 9.477 1.00 0.00 N ATOM 739 NH2 ARG A 46 -6.479 0.668 10.492 1.00 0.00 N ATOM 0 H ARG A 46 -1.290 -1.557 7.234 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.641 0.296 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.525 1.979 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.540 1.411 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.364 -0.467 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.245 -0.061 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.353 2.161 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.450 1.795 7.261 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.664 -0.370 9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.207 3.068 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.543 3.096 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.375 -0.337 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.199 1.183 10.998 1.00 0.00 H new ATOM 753 N SER A 47 0.344 0.432 8.128 1.00 0.00 N ATOM 754 CA SER A 47 1.551 0.694 8.960 1.00 0.00 C ATOM 755 C SER A 47 2.808 0.546 8.100 1.00 0.00 C ATOM 756 O SER A 47 3.019 -0.466 7.462 1.00 0.00 O ATOM 757 CB SER A 47 1.604 -0.309 10.113 1.00 0.00 C ATOM 758 OG SER A 47 0.288 -0.521 10.610 1.00 0.00 O ATOM 0 H SER A 47 -0.515 0.258 8.650 1.00 0.00 H new ATOM 0 HA SER A 47 1.501 1.707 9.360 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.033 -1.251 9.772 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.250 0.066 10.907 1.00 0.00 H new ATOM 0 HG SER A 47 0.317 -1.165 11.348 1.00 0.00 H new ATOM 764 N LYS A 48 3.644 1.548 8.078 1.00 0.00 N ATOM 765 CA LYS A 48 4.883 1.466 7.252 1.00 0.00 C ATOM 766 C LYS A 48 5.727 0.278 7.718 1.00 0.00 C ATOM 767 O LYS A 48 6.222 -0.493 6.919 1.00 0.00 O ATOM 768 CB LYS A 48 5.688 2.758 7.411 1.00 0.00 C ATOM 769 CG LYS A 48 5.940 3.375 6.035 1.00 0.00 C ATOM 770 CD LYS A 48 6.975 2.538 5.282 1.00 0.00 C ATOM 771 CE LYS A 48 7.333 3.231 3.965 1.00 0.00 C ATOM 772 NZ LYS A 48 7.986 4.539 4.255 1.00 0.00 N ATOM 0 H LYS A 48 3.523 2.419 8.595 1.00 0.00 H new ATOM 0 HA LYS A 48 4.614 1.332 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.146 3.461 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.636 2.550 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.010 3.418 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.295 4.400 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.869 2.410 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.579 1.542 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.002 2.600 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.435 3.385 3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.496 4.867 3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.262 5.238 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.656 4.425 5.042 1.00 0.00 H new ATOM 786 N PRO A 49 5.887 0.136 9.005 1.00 0.00 N ATOM 787 CA PRO A 49 6.694 -0.967 9.603 1.00 0.00 C ATOM 788 C PRO A 49 6.243 -2.345 9.113 1.00 0.00 C ATOM 789 O PRO A 49 7.049 -3.177 8.747 1.00 0.00 O ATOM 790 CB PRO A 49 6.444 -0.827 11.106 1.00 0.00 C ATOM 791 CG PRO A 49 6.047 0.599 11.313 1.00 0.00 C ATOM 792 CD PRO A 49 5.313 1.018 10.033 1.00 0.00 C ATOM 0 HA PRO A 49 7.746 -0.894 9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.658 -1.505 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.339 -1.072 11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.402 0.703 12.185 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.921 1.227 11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.236 0.880 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.481 2.069 9.800 1.00 0.00 H new ATOM 800 N GLN A 50 4.962 -2.592 9.102 1.00 0.00 N ATOM 801 CA GLN A 50 4.462 -3.910 8.622 1.00 0.00 C ATOM 802 C GLN A 50 4.751 -4.053 7.126 1.00 0.00 C ATOM 803 O GLN A 50 5.050 -5.126 6.641 1.00 0.00 O ATOM 804 CB GLN A 50 2.953 -4.002 8.861 1.00 0.00 C ATOM 805 CG GLN A 50 2.454 -5.390 8.456 1.00 0.00 C ATOM 806 CD GLN A 50 0.953 -5.495 8.734 1.00 0.00 C ATOM 807 OE1 GLN A 50 0.236 -6.165 8.018 1.00 0.00 O ATOM 808 NE2 GLN A 50 0.444 -4.855 9.751 1.00 0.00 N ATOM 0 H GLN A 50 4.240 -1.938 9.405 1.00 0.00 H new ATOM 0 HA GLN A 50 4.966 -4.709 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.729 -3.816 9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.436 -3.236 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.652 -5.565 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.992 -6.158 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.046 -4.292 10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.556 -4.917 9.944 1.00 0.00 H new ATOM 817 N LEU A 51 4.663 -2.978 6.391 1.00 0.00 N ATOM 818 CA LEU A 51 4.930 -3.052 4.927 1.00 0.00 C ATOM 819 C LEU A 51 6.383 -3.470 4.694 1.00 0.00 C ATOM 820 O LEU A 51 6.671 -4.320 3.876 1.00 0.00 O ATOM 821 CB LEU A 51 4.686 -1.681 4.294 1.00 0.00 C ATOM 822 CG LEU A 51 5.010 -1.745 2.800 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.115 -2.787 2.127 1.00 0.00 C ATOM 824 CD2 LEU A 51 4.757 -0.374 2.168 1.00 0.00 C ATOM 0 H LEU A 51 4.418 -2.052 6.741 1.00 0.00 H new ATOM 0 HA LEU A 51 4.264 -3.785 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.648 -1.381 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.307 -0.928 4.780 1.00 0.00 H new ATOM 0 HG LEU A 51 6.055 -2.023 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.346 -2.832 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.291 -3.763 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.069 -2.509 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.987 -0.416 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.711 -0.099 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.393 0.370 2.647 1.00 0.00 H new ATOM 836 N ALA A 52 7.303 -2.880 5.408 1.00 0.00 N ATOM 837 CA ALA A 52 8.737 -3.236 5.219 1.00 0.00 C ATOM 838 C ALA A 52 8.972 -4.673 5.689 1.00 0.00 C ATOM 839 O ALA A 52 9.697 -5.428 5.069 1.00 0.00 O ATOM 840 CB ALA A 52 9.610 -2.282 6.035 1.00 0.00 C ATOM 0 H ALA A 52 7.123 -2.167 6.114 1.00 0.00 H new ATOM 0 HA ALA A 52 8.997 -3.153 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.660 -2.542 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.442 -1.259 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.351 -2.365 7.091 1.00 0.00 H new ATOM 846 N ARG A 53 8.368 -5.056 6.781 1.00 0.00 N ATOM 847 CA ARG A 53 8.569 -6.441 7.295 1.00 0.00 C ATOM 848 C ARG A 53 8.085 -7.448 6.252 1.00 0.00 C ATOM 849 O ARG A 53 8.719 -8.455 6.007 1.00 0.00 O ATOM 850 CB ARG A 53 7.772 -6.623 8.588 1.00 0.00 C ATOM 851 CG ARG A 53 8.433 -5.823 9.713 1.00 0.00 C ATOM 852 CD ARG A 53 7.623 -5.985 11.000 1.00 0.00 C ATOM 853 NE ARG A 53 7.661 -7.409 11.436 1.00 0.00 N ATOM 854 CZ ARG A 53 6.956 -7.796 12.464 1.00 0.00 C ATOM 855 NH1 ARG A 53 6.216 -6.937 13.109 1.00 0.00 N ATOM 856 NH2 ARG A 53 6.990 -9.044 12.846 1.00 0.00 N ATOM 0 H ARG A 53 7.745 -4.471 7.338 1.00 0.00 H new ATOM 0 HA ARG A 53 9.628 -6.606 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.745 -6.288 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.729 -7.679 8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.455 -6.170 9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.492 -4.770 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.030 -5.343 11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.592 -5.672 10.835 1.00 0.00 H new ATOM 0 HE ARG A 53 8.238 -8.082 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.188 -5.962 12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.665 -7.240 13.912 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.567 -9.716 12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.439 -9.347 13.649 1.00 0.00 H new ATOM 870 N TYR A 54 6.966 -7.187 5.634 1.00 0.00 N ATOM 871 CA TYR A 54 6.440 -8.135 4.611 1.00 0.00 C ATOM 872 C TYR A 54 7.450 -8.264 3.468 1.00 0.00 C ATOM 873 O TYR A 54 7.864 -9.349 3.113 1.00 0.00 O ATOM 874 CB TYR A 54 5.112 -7.607 4.062 1.00 0.00 C ATOM 875 CG TYR A 54 4.417 -8.703 3.291 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.811 -8.997 1.980 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.375 -9.425 3.888 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.163 -10.013 1.266 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.729 -10.441 3.173 1.00 0.00 C ATOM 880 CZ TYR A 54 3.124 -10.736 1.862 1.00 0.00 C ATOM 881 OH TYR A 54 2.486 -11.736 1.159 1.00 0.00 O ATOM 0 H TYR A 54 6.393 -6.358 5.793 1.00 0.00 H new ATOM 0 HA TYR A 54 6.282 -9.112 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.478 -7.264 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.289 -6.748 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.614 -8.441 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.070 -9.198 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.466 -10.239 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.926 -10.998 3.633 1.00 0.00 H new ATOM 0 HH TYR A 54 1.790 -12.138 1.720 1.00 0.00 H new ATOM 891 N LEU A 55 7.849 -7.164 2.890 1.00 0.00 N ATOM 892 CA LEU A 55 8.842 -7.224 1.781 1.00 0.00 C ATOM 893 C LEU A 55 10.258 -7.179 2.360 1.00 0.00 C ATOM 894 O LEU A 55 11.234 -7.182 1.638 1.00 0.00 O ATOM 895 CB LEU A 55 8.635 -6.030 0.847 1.00 0.00 C ATOM 896 CG LEU A 55 7.261 -6.134 0.181 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.969 -4.846 -0.591 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.253 -7.321 -0.785 1.00 0.00 C ATOM 0 H LEU A 55 7.530 -6.227 3.138 1.00 0.00 H new ATOM 0 HA LEU A 55 8.708 -8.150 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.709 -5.099 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.418 -6.008 0.089 1.00 0.00 H new ATOM 0 HG LEU A 55 6.497 -6.280 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.990 -4.920 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.976 -4.000 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.732 -4.699 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.275 -7.397 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.017 -7.174 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.461 -8.239 -0.235 1.00 0.00 H new ATOM 910 N GLY A 56 10.376 -7.138 3.659 1.00 0.00 N ATOM 911 CA GLY A 56 11.729 -7.093 4.283 1.00 0.00 C ATOM 912 C GLY A 56 12.642 -8.111 3.595 1.00 0.00 C ATOM 913 O GLY A 56 12.665 -9.274 3.945 1.00 0.00 O ATOM 0 H GLY A 56 9.595 -7.134 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.150 -6.092 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.658 -7.314 5.348 1.00 0.00 H new ATOM 917 N GLY A 57 13.396 -7.681 2.621 1.00 0.00 N ATOM 918 CA GLY A 57 14.309 -8.625 1.915 1.00 0.00 C ATOM 919 C GLY A 57 14.025 -8.581 0.412 1.00 0.00 C ATOM 920 O GLY A 57 14.917 -8.394 -0.393 1.00 0.00 O ATOM 0 H GLY A 57 13.420 -6.719 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.348 -8.356 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.166 -9.637 2.293 1.00 0.00 H new ATOM 924 N SER A 58 12.791 -8.751 0.026 1.00 0.00 N ATOM 925 CA SER A 58 12.451 -8.717 -1.424 1.00 0.00 C ATOM 926 C SER A 58 12.766 -7.330 -1.989 1.00 0.00 C ATOM 927 O SER A 58 13.174 -7.190 -3.124 1.00 0.00 O ATOM 928 CB SER A 58 10.963 -9.016 -1.606 1.00 0.00 C ATOM 929 OG SER A 58 10.549 -9.954 -0.622 1.00 0.00 O ATOM 0 H SER A 58 12.003 -8.912 0.653 1.00 0.00 H new ATOM 0 HA SER A 58 13.039 -9.467 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.382 -8.098 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.780 -9.414 -2.604 1.00 0.00 H new ATOM 0 HG SER A 58 9.595 -10.147 -0.735 1.00 0.00 H new ATOM 935 N MET A 59 12.581 -6.304 -1.205 1.00 0.00 N ATOM 936 CA MET A 59 12.861 -4.927 -1.701 1.00 0.00 C ATOM 937 C MET A 59 12.955 -3.967 -0.514 1.00 0.00 C ATOM 938 O MET A 59 12.438 -4.231 0.553 1.00 0.00 O ATOM 939 CB MET A 59 11.731 -4.479 -2.631 1.00 0.00 C ATOM 940 CG MET A 59 12.129 -3.178 -3.329 1.00 0.00 C ATOM 941 SD MET A 59 10.924 -2.796 -4.625 1.00 0.00 S ATOM 942 CE MET A 59 9.503 -2.516 -3.538 1.00 0.00 C ATOM 0 H MET A 59 12.248 -6.359 -0.242 1.00 0.00 H new ATOM 0 HA MET A 59 13.804 -4.923 -2.248 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.526 -5.253 -3.371 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.814 -4.332 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.172 -2.363 -2.606 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.125 -3.274 -3.761 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.749 -1.933 -4.067 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.077 -3.475 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.826 -1.972 -2.650 1.00 0.00 H new ATOM 952 N ASP A 60 13.612 -2.853 -0.691 1.00 0.00 N ATOM 953 CA ASP A 60 13.744 -1.881 0.430 1.00 0.00 C ATOM 954 C ASP A 60 12.564 -0.906 0.403 1.00 0.00 C ATOM 955 O ASP A 60 12.454 -0.075 -0.477 1.00 0.00 O ATOM 956 CB ASP A 60 15.052 -1.101 0.278 1.00 0.00 C ATOM 957 CG ASP A 60 15.310 -0.285 1.547 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.363 -0.042 2.275 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.453 0.083 1.767 1.00 0.00 O ATOM 0 H ASP A 60 14.062 -2.575 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 60 13.749 -2.419 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.879 -1.788 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.995 -0.440 -0.587 1.00 0.00 H new ATOM 964 N LEU A 61 11.681 -1.001 1.359 1.00 0.00 N ATOM 965 CA LEU A 61 10.507 -0.084 1.384 1.00 0.00 C ATOM 966 C LEU A 61 10.826 1.129 2.260 1.00 0.00 C ATOM 967 O LEU A 61 10.039 2.047 2.377 1.00 0.00 O ATOM 968 CB LEU A 61 9.296 -0.823 1.956 1.00 0.00 C ATOM 969 CG LEU A 61 8.671 -1.699 0.869 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.038 -0.809 -0.203 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.755 -2.570 0.230 1.00 0.00 C ATOM 0 H LEU A 61 11.722 -1.674 2.124 1.00 0.00 H new ATOM 0 HA LEU A 61 10.284 0.249 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.599 -1.438 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.562 -0.107 2.327 1.00 0.00 H new ATOM 0 HG LEU A 61 7.906 -2.336 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.593 -1.433 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.266 -0.187 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.804 -0.172 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.310 -3.195 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.520 -1.932 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.208 -3.204 0.992 1.00 0.00 H new ATOM 983 N SER A 62 11.975 1.140 2.879 1.00 0.00 N ATOM 984 CA SER A 62 12.344 2.294 3.747 1.00 0.00 C ATOM 985 C SER A 62 12.349 3.577 2.912 1.00 0.00 C ATOM 986 O SER A 62 11.924 4.623 3.360 1.00 0.00 O ATOM 987 CB SER A 62 13.733 2.065 4.338 1.00 0.00 C ATOM 988 OG SER A 62 14.062 3.148 5.199 1.00 0.00 O ATOM 0 H SER A 62 12.674 0.400 2.821 1.00 0.00 H new ATOM 0 HA SER A 62 11.618 2.388 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.755 1.126 4.891 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.471 1.982 3.540 1.00 0.00 H new ATOM 0 HG SER A 62 14.953 3.003 5.581 1.00 0.00 H new ATOM 994 N THR A 63 12.828 3.506 1.700 1.00 0.00 N ATOM 995 CA THR A 63 12.861 4.721 0.838 1.00 0.00 C ATOM 996 C THR A 63 11.526 4.861 0.105 1.00 0.00 C ATOM 997 O THR A 63 11.403 5.612 -0.842 1.00 0.00 O ATOM 998 CB THR A 63 13.993 4.592 -0.183 1.00 0.00 C ATOM 999 OG1 THR A 63 13.736 3.485 -1.035 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.319 4.379 0.549 1.00 0.00 C ATOM 0 H THR A 63 13.198 2.659 1.270 1.00 0.00 H new ATOM 0 HA THR A 63 13.030 5.602 1.457 1.00 0.00 H new ATOM 0 HB THR A 63 14.052 5.503 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.459 3.402 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.126 4.287 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.515 5.229 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.263 3.469 1.146 1.00 0.00 H new ATOM 1008 N PHE A 64 10.523 4.143 0.533 1.00 0.00 N ATOM 1009 CA PHE A 64 9.199 4.234 -0.143 1.00 0.00 C ATOM 1010 C PHE A 64 8.349 5.305 0.543 1.00 0.00 C ATOM 1011 O PHE A 64 8.200 5.317 1.749 1.00 0.00 O ATOM 1012 CB PHE A 64 8.486 2.884 -0.053 1.00 0.00 C ATOM 1013 CG PHE A 64 7.142 2.975 -0.735 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.071 3.076 -2.130 1.00 0.00 C ATOM 1015 CD2 PHE A 64 5.968 2.961 0.026 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.825 3.162 -2.763 1.00 0.00 C ATOM 1017 CE2 PHE A 64 4.723 3.047 -0.606 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.650 3.147 -2.001 1.00 0.00 C ATOM 0 H PHE A 64 10.564 3.498 1.322 1.00 0.00 H new ATOM 0 HA PHE A 64 9.344 4.500 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.092 2.109 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.357 2.598 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.977 3.088 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.023 2.884 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.770 3.240 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.817 3.036 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.689 3.212 -2.489 1.00 0.00 H new ATOM 1028 N ASP A 65 7.789 6.208 -0.217 1.00 0.00 N ATOM 1029 CA ASP A 65 6.946 7.275 0.392 1.00 0.00 C ATOM 1030 C ASP A 65 5.553 6.717 0.689 1.00 0.00 C ATOM 1031 O ASP A 65 4.794 6.408 -0.208 1.00 0.00 O ATOM 1032 CB ASP A 65 6.829 8.451 -0.580 1.00 0.00 C ATOM 1033 CG ASP A 65 6.049 9.586 0.082 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.394 9.327 1.079 1.00 0.00 O ATOM 1035 OD2 ASP A 65 6.119 10.697 -0.418 1.00 0.00 O ATOM 0 H ASP A 65 7.879 6.252 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 65 7.406 7.616 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.821 8.798 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.325 8.133 -1.493 1.00 0.00 H new ATOM 1040 N PHE A 66 5.209 6.587 1.942 1.00 0.00 N ATOM 1041 CA PHE A 66 3.875 6.029 2.295 1.00 0.00 C ATOM 1042 C PHE A 66 2.797 7.085 2.041 1.00 0.00 C ATOM 1043 O PHE A 66 1.750 6.800 1.492 1.00 0.00 O ATOM 1044 CB PHE A 66 3.862 5.630 3.772 1.00 0.00 C ATOM 1045 CG PHE A 66 2.632 4.803 4.060 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.599 3.449 3.701 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.525 5.389 4.685 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.459 2.683 3.968 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.384 4.621 4.951 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.351 3.270 4.594 1.00 0.00 C ATOM 0 H PHE A 66 5.796 6.844 2.736 1.00 0.00 H new ATOM 0 HA PHE A 66 3.675 5.151 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.760 5.062 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.870 6.521 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.453 2.997 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.551 6.433 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.433 1.639 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.471 5.073 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.529 2.678 4.801 1.00 0.00 H new ATOM 1060 N ARG A 67 3.042 8.303 2.438 1.00 0.00 N ATOM 1061 CA ARG A 67 2.022 9.370 2.244 1.00 0.00 C ATOM 1062 C ARG A 67 1.726 9.529 0.751 1.00 0.00 C ATOM 1063 O ARG A 67 0.589 9.669 0.345 1.00 0.00 O ATOM 1064 CB ARG A 67 2.554 10.693 2.801 1.00 0.00 C ATOM 1065 CG ARG A 67 2.251 10.774 4.300 1.00 0.00 C ATOM 1066 CD ARG A 67 3.048 9.701 5.041 1.00 0.00 C ATOM 1067 NE ARG A 67 2.789 9.812 6.504 1.00 0.00 N ATOM 1068 CZ ARG A 67 2.993 8.784 7.283 1.00 0.00 C ATOM 1069 NH1 ARG A 67 3.423 7.659 6.780 1.00 0.00 N ATOM 1070 NH2 ARG A 67 2.765 8.880 8.564 1.00 0.00 N ATOM 0 H ARG A 67 3.906 8.605 2.889 1.00 0.00 H new ATOM 0 HA ARG A 67 1.107 9.096 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.628 10.765 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.092 11.531 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.510 11.762 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.184 10.634 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.764 8.711 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.113 9.819 4.839 1.00 0.00 H new ATOM 0 HE ARG A 67 2.452 10.691 6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.600 7.583 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.582 6.856 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.427 9.758 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.924 8.077 9.172 1.00 0.00 H new ATOM 1084 N THR A 68 2.741 9.508 -0.069 1.00 0.00 N ATOM 1085 CA THR A 68 2.518 9.670 -1.533 1.00 0.00 C ATOM 1086 C THR A 68 2.496 8.293 -2.202 1.00 0.00 C ATOM 1087 O THR A 68 2.088 8.150 -3.336 1.00 0.00 O ATOM 1088 CB THR A 68 3.650 10.510 -2.132 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.851 9.753 -2.126 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.838 11.780 -1.303 1.00 0.00 C ATOM 0 H THR A 68 3.714 9.386 0.212 1.00 0.00 H new ATOM 0 HA THR A 68 1.565 10.171 -1.702 1.00 0.00 H new ATOM 0 HB THR A 68 3.399 10.784 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.612 10.348 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.644 12.377 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.914 12.359 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.090 11.511 -0.277 1.00 0.00 H new ATOM 1098 N GLY A 69 2.934 7.279 -1.507 1.00 0.00 N ATOM 1099 CA GLY A 69 2.941 5.914 -2.105 1.00 0.00 C ATOM 1100 C GLY A 69 3.882 5.890 -3.310 1.00 0.00 C ATOM 1101 O GLY A 69 3.597 5.276 -4.320 1.00 0.00 O ATOM 0 H GLY A 69 3.287 7.337 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.263 5.182 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.933 5.635 -2.412 1.00 0.00 H new ATOM 1105 N LYS A 70 5.001 6.553 -3.215 1.00 0.00 N ATOM 1106 CA LYS A 70 5.953 6.576 -4.361 1.00 0.00 C ATOM 1107 C LYS A 70 7.381 6.400 -3.841 1.00 0.00 C ATOM 1108 O LYS A 70 7.674 6.682 -2.696 1.00 0.00 O ATOM 1109 CB LYS A 70 5.839 7.915 -5.092 1.00 0.00 C ATOM 1110 CG LYS A 70 4.492 7.991 -5.814 1.00 0.00 C ATOM 1111 CD LYS A 70 4.379 9.327 -6.549 1.00 0.00 C ATOM 1112 CE LYS A 70 3.057 9.380 -7.315 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.943 8.978 -6.410 1.00 0.00 N ATOM 0 H LYS A 70 5.298 7.080 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 70 5.713 5.765 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.930 8.737 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.654 8.021 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.400 7.167 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.677 7.889 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.432 10.151 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.215 9.447 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.885 10.387 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.097 8.715 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.053 9.397 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.858 7.942 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.140 9.315 -5.446 1.00 0.00 H new ATOM 1127 N MET A 71 8.272 5.935 -4.671 1.00 0.00 N ATOM 1128 CA MET A 71 9.681 5.741 -4.224 1.00 0.00 C ATOM 1129 C MET A 71 10.447 7.058 -4.368 1.00 0.00 C ATOM 1130 O MET A 71 10.174 7.854 -5.245 1.00 0.00 O ATOM 1131 CB MET A 71 10.346 4.667 -5.085 1.00 0.00 C ATOM 1132 CG MET A 71 9.926 3.281 -4.589 1.00 0.00 C ATOM 1133 SD MET A 71 10.900 2.015 -5.439 1.00 0.00 S ATOM 1134 CE MET A 71 10.437 0.624 -4.379 1.00 0.00 C ATOM 0 H MET A 71 8.086 5.680 -5.641 1.00 0.00 H new ATOM 0 HA MET A 71 9.691 5.427 -3.180 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.059 4.794 -6.129 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.430 4.768 -5.038 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.076 3.208 -3.512 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.864 3.123 -4.775 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.336 0.108 -4.042 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.885 0.993 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 71 9.810 -0.069 -4.941 1.00 0.00 H new ATOM 1144 N LEU A 72 11.405 7.293 -3.514 1.00 0.00 N ATOM 1145 CA LEU A 72 12.187 8.558 -3.604 1.00 0.00 C ATOM 1146 C LEU A 72 13.486 8.412 -2.807 1.00 0.00 C ATOM 1147 CB LEU A 72 11.363 9.711 -3.027 1.00 0.00 C ATOM 1148 CG LEU A 72 12.183 11.002 -3.079 1.00 0.00 C ATOM 1149 CD1 LEU A 72 12.598 11.286 -4.523 1.00 0.00 C ATOM 1150 CD2 LEU A 72 11.335 12.163 -2.556 1.00 0.00 C ATOM 0 H LEU A 72 11.680 6.665 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 72 12.421 8.766 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.440 9.831 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.079 9.490 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 72 13.074 10.892 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.182 12.206 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.200 10.458 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.708 11.397 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 72 11.917 13.084 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.445 12.272 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.038 11.962 -1.527 1.00 0.00 H new TER 1162 LEU A 72