USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 31 MET CE :methyl -167:sc= -0.89 (180deg=-1.07) USER MOD Set 1.2: A 53 THR OG1 : rot -7:sc= -0.205 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.128 (180deg=-0.58) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.096 K(o=-0.096,f=-0.85) USER MOD Single : A 4 THR OG1 : rot 110:sc= 1.26 USER MOD Single : A 7 SER OG : rot 58:sc= 0.813 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= -0.865 (180deg=-0.931) USER MOD Single : A 12 THR OG1 : rot -45:sc= -2.94! USER MOD Single : A 15 SER OG : rot -37:sc= 0.439 USER MOD Single : A 19 SER OG : rot 180:sc= -0.304 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.91! K(o=-2.9!,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.293 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.34) USER MOD Single : A 50 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.29) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1 K(o=-1,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.258 13.266 -4.540 1.00 3.33 N ATOM 2 CA MET A 1 0.142 12.766 -4.564 1.00 2.78 C ATOM 3 C MET A 1 0.529 12.160 -3.219 1.00 2.08 C ATOM 4 O MET A 1 1.085 11.064 -3.158 1.00 2.36 O ATOM 5 CB MET A 1 1.102 13.901 -4.922 1.00 2.93 C ATOM 6 CG MET A 1 2.567 13.494 -4.876 1.00 3.53 C ATOM 7 SD MET A 1 2.931 12.087 -5.940 1.00 4.37 S ATOM 8 CE MET A 1 2.410 12.724 -7.531 1.00 5.17 C ATOM 0 H1 MET A 1 -1.497 13.673 -5.467 1.00 3.33 H new ATOM 0 H2 MET A 1 -1.904 12.479 -4.331 1.00 3.33 H new ATOM 0 H3 MET A 1 -1.353 13.996 -3.806 1.00 3.33 H new ATOM 0 HA MET A 1 0.211 11.987 -5.323 1.00 2.78 H new ATOM 0 HB2 MET A 1 0.865 14.265 -5.922 1.00 2.93 H new ATOM 0 HB3 MET A 1 0.942 14.732 -4.235 1.00 2.93 H new ATOM 0 HG2 MET A 1 3.185 14.341 -5.176 1.00 3.53 H new ATOM 0 HG3 MET A 1 2.840 13.248 -3.850 1.00 3.53 H new ATOM 0 HE1 MET A 1 2.794 12.081 -8.324 1.00 5.17 H new ATOM 0 HE2 MET A 1 1.321 12.745 -7.576 1.00 5.17 H new ATOM 0 HE3 MET A 1 2.798 13.734 -7.663 1.00 5.17 H new ATOM 18 N GLN A 2 0.234 12.882 -2.143 1.00 1.56 N ATOM 19 CA GLN A 2 0.554 12.417 -0.799 1.00 0.99 C ATOM 20 C GLN A 2 -0.426 11.341 -0.344 1.00 0.83 C ATOM 21 O GLN A 2 -1.619 11.408 -0.636 1.00 1.25 O ATOM 22 CB GLN A 2 0.533 13.586 0.187 1.00 1.05 C ATOM 23 CG GLN A 2 0.762 13.169 1.630 1.00 1.64 C ATOM 24 CD GLN A 2 2.067 12.420 1.821 1.00 2.33 C ATOM 25 OE1 GLN A 2 3.038 12.648 1.097 1.00 2.91 O ATOM 26 NE2 GLN A 2 2.097 11.524 2.799 1.00 2.94 N ATOM 0 H GLN A 2 -0.226 13.792 -2.176 1.00 1.56 H new ATOM 0 HA GLN A 2 1.555 11.986 -0.823 1.00 0.99 H new ATOM 0 HB2 GLN A 2 1.299 14.306 -0.100 1.00 1.05 H new ATOM 0 HB3 GLN A 2 -0.428 14.096 0.113 1.00 1.05 H new ATOM 0 HG2 GLN A 2 0.760 14.055 2.265 1.00 1.64 H new ATOM 0 HG3 GLN A 2 -0.065 12.540 1.958 1.00 1.64 H new ATOM 0 HE21 GLN A 2 1.269 11.368 3.374 1.00 2.94 H new ATOM 0 HE22 GLN A 2 2.948 10.991 2.976 1.00 2.94 H new ATOM 33 N PHE A 3 0.090 10.348 0.375 1.00 0.64 N ATOM 34 CA PHE A 3 -0.739 9.258 0.875 1.00 0.59 C ATOM 35 C PHE A 3 -1.121 9.499 2.331 1.00 0.50 C ATOM 36 O PHE A 3 -0.387 9.126 3.246 1.00 0.55 O ATOM 37 CB PHE A 3 -0.001 7.925 0.741 1.00 0.80 C ATOM 38 CG PHE A 3 0.489 7.648 -0.651 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.614 8.289 -1.145 1.00 0.80 C ATOM 40 CD2 PHE A 3 -0.176 6.746 -1.467 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.067 8.035 -2.426 1.00 1.39 C ATOM 42 CE2 PHE A 3 0.272 6.488 -2.748 1.00 2.25 C ATOM 43 CZ PHE A 3 1.395 7.132 -3.228 1.00 2.18 C ATOM 0 H PHE A 3 1.077 10.277 0.624 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.650 9.219 0.278 1.00 0.59 H new ATOM 0 HB2 PHE A 3 0.848 7.919 1.424 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.665 7.118 1.051 1.00 0.80 H new ATOM 0 HD1 PHE A 3 2.143 8.995 -0.522 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -1.055 6.239 -1.097 1.00 1.47 H new ATOM 0 HE1 PHE A 3 2.945 8.541 -2.800 1.00 1.39 H new ATOM 0 HE2 PHE A 3 -0.256 5.783 -3.373 1.00 2.25 H new ATOM 0 HZ PHE A 3 1.748 6.930 -4.229 1.00 2.18 H new ATOM 52 N THR A 4 -2.272 10.130 2.539 1.00 0.53 N ATOM 53 CA THR A 4 -2.749 10.423 3.884 1.00 0.49 C ATOM 54 C THR A 4 -3.576 9.270 4.441 1.00 0.45 C ATOM 55 O THR A 4 -4.161 8.493 3.685 1.00 0.45 O ATOM 56 CB THR A 4 -3.598 11.705 3.912 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.651 11.619 2.945 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.738 12.924 3.626 1.00 0.66 C ATOM 0 H THR A 4 -2.891 10.448 1.793 1.00 0.53 H new ATOM 0 HA THR A 4 -1.865 10.566 4.506 1.00 0.49 H new ATOM 0 HB THR A 4 -4.030 11.808 4.907 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.511 11.523 3.405 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.358 13.820 3.650 1.00 0.66 H new ATOM 0 HG22 THR A 4 -1.956 13.003 4.381 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.282 12.825 2.641 1.00 0.66 H new ATOM 66 N PRO A 5 -3.638 9.146 5.777 1.00 0.47 N ATOM 67 CA PRO A 5 -4.401 8.083 6.434 1.00 0.51 C ATOM 68 C PRO A 5 -5.905 8.310 6.346 1.00 0.51 C ATOM 69 O PRO A 5 -6.490 8.993 7.185 1.00 0.65 O ATOM 70 CB PRO A 5 -3.929 8.155 7.886 1.00 0.62 C ATOM 71 CG PRO A 5 -3.515 9.571 8.078 1.00 0.58 C ATOM 72 CD PRO A 5 -2.970 10.031 6.752 1.00 0.53 C ATOM 0 HA PRO A 5 -4.235 7.112 5.967 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.726 7.878 8.576 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.099 7.472 8.067 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.361 10.186 8.386 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.760 9.654 8.859 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.201 11.080 6.566 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.886 9.931 6.707 1.00 0.53 H new ATOM 77 N ASP A 6 -6.522 7.736 5.319 1.00 0.74 N ATOM 78 CA ASP A 6 -7.959 7.874 5.110 1.00 0.84 C ATOM 79 C ASP A 6 -8.383 7.193 3.813 1.00 0.71 C ATOM 80 O ASP A 6 -9.466 6.614 3.727 1.00 0.67 O ATOM 81 CB ASP A 6 -8.355 9.350 5.075 1.00 1.07 C ATOM 82 CG ASP A 6 -7.579 10.132 4.034 1.00 2.06 C ATOM 83 OD1 ASP A 6 -6.467 10.603 4.352 1.00 2.69 O ATOM 84 OD2 ASP A 6 -8.083 10.274 2.900 1.00 2.51 O ATOM 0 H ASP A 6 -6.048 7.169 4.616 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.470 7.390 5.942 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -9.422 9.432 4.867 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -8.187 9.792 6.057 1.00 1.07 H new ATOM 88 N SER A 7 -7.518 7.266 2.805 1.00 0.77 N ATOM 89 CA SER A 7 -7.798 6.656 1.510 1.00 0.72 C ATOM 90 C SER A 7 -6.996 5.372 1.332 1.00 0.54 C ATOM 91 O SER A 7 -5.868 5.260 1.817 1.00 0.67 O ATOM 92 CB SER A 7 -7.472 7.636 0.381 1.00 0.96 C ATOM 93 OG SER A 7 -8.297 8.786 0.449 1.00 1.89 O ATOM 0 H SER A 7 -6.617 7.742 2.861 1.00 0.77 H new ATOM 0 HA SER A 7 -8.859 6.409 1.472 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.425 7.932 0.443 1.00 0.96 H new ATOM 0 HB3 SER A 7 -7.607 7.144 -0.582 1.00 0.96 H new ATOM 0 HG SER A 7 -8.178 9.223 1.318 1.00 1.89 H new ATOM 98 N ALA A 8 -7.582 4.405 0.634 1.00 0.47 N ATOM 99 CA ALA A 8 -6.921 3.129 0.394 1.00 0.35 C ATOM 100 C ALA A 8 -5.941 3.231 -0.769 1.00 0.31 C ATOM 101 O ALA A 8 -5.916 4.231 -1.488 1.00 0.38 O ATOM 102 CB ALA A 8 -7.950 2.043 0.127 1.00 0.44 C ATOM 0 H ALA A 8 -8.513 4.481 0.225 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.357 2.865 1.289 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.441 1.095 -0.051 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.608 1.945 0.990 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.540 2.308 -0.751 1.00 0.44 H new ATOM 108 N TRP A 9 -5.136 2.190 -0.950 1.00 0.30 N ATOM 109 CA TRP A 9 -4.153 2.163 -2.028 1.00 0.30 C ATOM 110 C TRP A 9 -3.804 0.727 -2.407 1.00 0.32 C ATOM 111 O TRP A 9 -4.027 -0.201 -1.630 1.00 0.39 O ATOM 112 CB TRP A 9 -2.889 2.916 -1.608 1.00 0.34 C ATOM 113 CG TRP A 9 -3.172 4.264 -1.020 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.377 4.556 0.298 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.284 5.506 -1.726 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.610 5.900 0.455 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.557 6.506 -0.773 1.00 0.42 C ATOM 118 CE3 TRP A 9 -3.178 5.870 -3.072 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.725 7.842 -1.123 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -3.346 7.197 -3.417 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.616 8.170 -2.447 1.00 0.66 C ATOM 0 H TRP A 9 -5.144 1.354 -0.365 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.587 2.653 -2.899 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.342 2.317 -0.880 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.240 3.034 -2.475 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.359 3.834 1.101 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.793 6.371 1.341 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.969 5.127 -3.828 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.934 8.594 -0.376 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -3.268 7.489 -4.454 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.741 9.199 -2.750 1.00 0.66 H new ATOM 131 N LYS A 10 -3.253 0.550 -3.604 1.00 0.34 N ATOM 132 CA LYS A 10 -2.878 -0.777 -4.082 1.00 0.37 C ATOM 133 C LYS A 10 -1.366 -0.894 -4.250 1.00 0.34 C ATOM 134 O LYS A 10 -0.711 0.028 -4.736 1.00 0.34 O ATOM 135 CB LYS A 10 -3.579 -1.083 -5.407 1.00 0.43 C ATOM 136 CG LYS A 10 -5.092 -1.159 -5.292 1.00 1.01 C ATOM 137 CD LYS A 10 -5.726 -1.616 -6.595 1.00 1.03 C ATOM 138 CE LYS A 10 -7.237 -1.717 -6.477 1.00 1.28 C ATOM 139 NZ LYS A 10 -7.859 -0.403 -6.160 1.00 2.04 N ATOM 0 H LYS A 10 -3.057 1.306 -4.259 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.195 -1.505 -3.335 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.317 -0.314 -6.133 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.205 -2.030 -5.796 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.363 -1.848 -4.492 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.487 -0.181 -5.017 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.469 -0.917 -7.390 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.317 -2.586 -6.879 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.649 -2.098 -7.412 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.493 -2.437 -5.699 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -8.894 -0.489 -6.205 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.577 -0.107 -5.204 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.541 0.307 -6.850 1.00 2.04 H new ATOM 149 N ILE A 11 -0.818 -2.037 -3.845 1.00 0.36 N ATOM 150 CA ILE A 11 0.616 -2.277 -3.947 1.00 0.36 C ATOM 151 C ILE A 11 1.010 -2.668 -5.368 1.00 0.32 C ATOM 152 O ILE A 11 0.417 -3.569 -5.960 1.00 0.38 O ATOM 153 CB ILE A 11 1.069 -3.391 -2.981 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.695 -3.039 -1.542 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.570 -3.622 -3.098 1.00 0.43 C ATOM 156 CD1 ILE A 11 1.112 -4.088 -0.535 1.00 0.56 C ATOM 0 H ILE A 11 -1.347 -2.811 -3.443 1.00 0.36 H new ATOM 0 HA ILE A 11 1.111 -1.344 -3.677 1.00 0.36 H new ATOM 0 HB ILE A 11 0.555 -4.312 -3.256 1.00 0.41 H new ATOM 0 HG12 ILE A 11 1.158 -2.088 -1.277 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.384 -2.896 -1.480 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.871 -4.411 -2.409 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.814 -3.918 -4.118 1.00 0.43 H new ATOM 0 HG23 ILE A 11 3.100 -2.702 -2.850 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.814 -3.771 0.465 1.00 0.56 H new ATOM 0 HD12 ILE A 11 0.628 -5.035 -0.775 1.00 0.56 H new ATOM 0 HD13 ILE A 11 2.194 -4.215 -0.568 1.00 0.56 H new ATOM 167 N THR A 12 2.013 -1.983 -5.906 1.00 0.28 N ATOM 168 CA THR A 12 2.499 -2.265 -7.251 1.00 0.27 C ATOM 169 C THR A 12 4.022 -2.309 -7.270 1.00 0.27 C ATOM 170 O THR A 12 4.672 -1.543 -7.981 1.00 0.30 O ATOM 171 CB THR A 12 2.009 -1.221 -8.272 1.00 0.30 C ATOM 172 OG1 THR A 12 2.408 0.093 -7.864 1.00 0.91 O ATOM 173 CG2 THR A 12 0.496 -1.275 -8.417 1.00 0.97 C ATOM 0 H THR A 12 2.506 -1.227 -5.430 1.00 0.28 H new ATOM 0 HA THR A 12 2.097 -3.237 -7.537 1.00 0.27 H new ATOM 0 HB THR A 12 2.460 -1.452 -9.237 1.00 0.30 H new ATOM 0 HG1 THR A 12 2.222 0.209 -6.909 1.00 0.91 H new ATOM 0 HG21 THR A 12 0.173 -0.529 -9.143 1.00 0.97 H new ATOM 0 HG22 THR A 12 0.198 -2.266 -8.759 1.00 0.97 H new ATOM 0 HG23 THR A 12 0.031 -1.068 -7.453 1.00 0.97 H new ATOM 181 N GLY A 13 4.581 -3.206 -6.468 1.00 0.29 N ATOM 182 CA GLY A 13 6.022 -3.347 -6.396 1.00 0.33 C ATOM 183 C GLY A 13 6.657 -3.564 -7.755 1.00 0.37 C ATOM 184 O GLY A 13 6.707 -4.689 -8.251 1.00 0.45 O ATOM 0 H GLY A 13 4.059 -3.841 -5.864 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.448 -2.454 -5.939 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.269 -4.186 -5.746 1.00 0.33 H new ATOM 188 N PHE A 14 7.144 -2.485 -8.356 1.00 0.34 N ATOM 189 CA PHE A 14 7.783 -2.561 -9.662 1.00 0.41 C ATOM 190 C PHE A 14 8.896 -1.527 -9.783 1.00 0.39 C ATOM 191 O PHE A 14 8.641 -0.354 -10.054 1.00 0.43 O ATOM 192 CB PHE A 14 6.749 -2.350 -10.771 1.00 0.50 C ATOM 193 CG PHE A 14 7.296 -2.562 -12.154 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.982 -1.551 -12.808 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.124 -3.776 -12.799 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.488 -1.748 -14.079 1.00 0.79 C ATOM 197 CE2 PHE A 14 7.626 -3.978 -14.071 1.00 0.81 C ATOM 198 CZ PHE A 14 8.309 -2.963 -14.711 1.00 0.81 C ATOM 0 H PHE A 14 7.108 -1.546 -7.958 1.00 0.34 H new ATOM 0 HA PHE A 14 8.222 -3.553 -9.768 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.914 -3.032 -10.612 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.352 -1.337 -10.698 1.00 0.50 H new ATOM 0 HD1 PHE A 14 8.123 -0.598 -12.319 1.00 0.69 H new ATOM 0 HD2 PHE A 14 6.592 -4.574 -12.302 1.00 0.70 H new ATOM 0 HE1 PHE A 14 9.023 -0.953 -14.577 1.00 0.79 H new ATOM 0 HE2 PHE A 14 7.484 -4.929 -14.564 1.00 0.81 H new ATOM 0 HZ PHE A 14 8.703 -3.119 -15.704 1.00 0.81 H new ATOM 207 N SER A 15 10.132 -1.965 -9.571 1.00 0.40 N ATOM 208 CA SER A 15 11.285 -1.077 -9.656 1.00 0.41 C ATOM 209 C SER A 15 12.162 -1.440 -10.849 1.00 0.43 C ATOM 210 O SER A 15 12.067 -2.542 -11.390 1.00 0.48 O ATOM 211 CB SER A 15 12.110 -1.149 -8.371 1.00 0.39 C ATOM 212 OG SER A 15 11.313 -0.863 -7.236 1.00 0.76 O ATOM 0 H SER A 15 10.361 -2.931 -9.339 1.00 0.40 H new ATOM 0 HA SER A 15 10.916 -0.060 -9.788 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.547 -2.143 -8.271 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.937 -0.441 -8.426 1.00 0.39 H new ATOM 0 HG SER A 15 10.668 -0.160 -7.458 1.00 0.76 H new ATOM 217 N ARG A 16 13.017 -0.509 -11.256 1.00 0.57 N ATOM 218 CA ARG A 16 13.912 -0.740 -12.384 1.00 0.61 C ATOM 219 C ARG A 16 14.773 -1.978 -12.150 1.00 0.59 C ATOM 220 O ARG A 16 15.280 -2.580 -13.096 1.00 0.63 O ATOM 221 CB ARG A 16 14.803 0.482 -12.624 1.00 0.69 C ATOM 222 CG ARG A 16 15.889 0.670 -11.577 1.00 1.14 C ATOM 223 CD ARG A 16 15.309 1.034 -10.220 1.00 1.37 C ATOM 224 NE ARG A 16 16.351 1.372 -9.254 1.00 2.19 N ATOM 225 CZ ARG A 16 16.131 2.069 -8.144 1.00 2.67 C ATOM 226 NH1 ARG A 16 14.909 2.497 -7.858 1.00 2.41 N ATOM 227 NH2 ARG A 16 17.133 2.339 -7.319 1.00 3.58 N ATOM 0 H ARG A 16 13.110 0.410 -10.824 1.00 0.57 H new ATOM 0 HA ARG A 16 13.299 -0.907 -13.270 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.270 0.392 -13.605 1.00 0.69 H new ATOM 0 HB3 ARG A 16 14.178 1.375 -12.649 1.00 0.69 H new ATOM 0 HG2 ARG A 16 16.471 -0.247 -11.489 1.00 1.14 H new ATOM 0 HG3 ARG A 16 16.574 1.453 -11.901 1.00 1.14 H new ATOM 0 HD2 ARG A 16 14.629 1.879 -10.331 1.00 1.37 H new ATOM 0 HD3 ARG A 16 14.720 0.199 -9.841 1.00 1.37 H new ATOM 0 HE ARG A 16 17.302 1.055 -9.442 1.00 2.19 H new ATOM 0 HH11 ARG A 16 14.136 2.291 -8.490 1.00 2.41 H new ATOM 0 HH12 ARG A 16 14.742 3.032 -7.006 1.00 2.41 H new ATOM 0 HH21 ARG A 16 18.074 2.012 -7.536 1.00 3.58 H new ATOM 0 HH22 ARG A 16 16.963 2.874 -6.468 1.00 3.58 H new ATOM 238 N ASP A 17 14.937 -2.353 -10.883 1.00 0.58 N ATOM 239 CA ASP A 17 15.735 -3.522 -10.528 1.00 0.63 C ATOM 240 C ASP A 17 15.425 -3.980 -9.106 1.00 0.57 C ATOM 241 O ASP A 17 16.330 -4.295 -8.334 1.00 0.62 O ATOM 242 CB ASP A 17 17.227 -3.206 -10.662 1.00 0.77 C ATOM 243 CG ASP A 17 18.101 -4.406 -10.359 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.301 -5.238 -11.268 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.582 -4.515 -9.212 1.00 1.86 O ATOM 0 H ASP A 17 14.528 -1.864 -10.087 1.00 0.58 H new ATOM 0 HA ASP A 17 15.479 -4.329 -11.214 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.432 -2.857 -11.674 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.485 -2.392 -9.985 1.00 0.77 H new ATOM 249 N ILE A 18 14.137 -4.023 -8.768 1.00 0.51 N ATOM 250 CA ILE A 18 13.704 -4.443 -7.438 1.00 0.50 C ATOM 251 C ILE A 18 14.428 -5.710 -6.988 1.00 0.50 C ATOM 252 O ILE A 18 14.464 -6.705 -7.713 1.00 0.57 O ATOM 253 CB ILE A 18 12.183 -4.695 -7.397 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.748 -5.117 -5.992 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.793 -5.756 -8.416 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.271 -5.429 -5.884 1.00 0.56 C ATOM 0 H ILE A 18 13.375 -3.772 -9.398 1.00 0.51 H new ATOM 0 HA ILE A 18 13.953 -3.629 -6.758 1.00 0.50 H new ATOM 0 HB ILE A 18 11.672 -3.767 -7.652 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.319 -5.995 -5.692 1.00 0.52 H new ATOM 0 HG13 ILE A 18 11.995 -4.321 -5.290 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.717 -5.922 -8.374 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.070 -5.420 -9.415 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.313 -6.687 -8.189 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.035 -5.721 -4.861 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.692 -4.545 -6.152 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.021 -6.246 -6.561 1.00 0.56 H new ATOM 267 N SER A 19 15.001 -5.665 -5.790 1.00 0.57 N ATOM 268 CA SER A 19 15.721 -6.811 -5.242 1.00 0.59 C ATOM 269 C SER A 19 14.751 -7.814 -4.622 1.00 0.52 C ATOM 270 O SER A 19 13.648 -7.451 -4.214 1.00 0.50 O ATOM 271 CB SER A 19 16.734 -6.349 -4.193 1.00 0.70 C ATOM 272 OG SER A 19 16.090 -5.675 -3.124 1.00 1.50 O ATOM 0 H SER A 19 14.981 -4.848 -5.179 1.00 0.57 H new ATOM 0 HA SER A 19 16.252 -7.301 -6.058 1.00 0.59 H new ATOM 0 HB2 SER A 19 17.281 -7.209 -3.808 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.466 -5.687 -4.656 1.00 0.70 H new ATOM 0 HG SER A 19 16.759 -5.391 -2.466 1.00 1.50 H new ATOM 277 N PRO A 20 15.150 -9.096 -4.547 1.00 0.54 N ATOM 278 CA PRO A 20 14.311 -10.153 -3.971 1.00 0.51 C ATOM 279 C PRO A 20 14.033 -9.926 -2.491 1.00 0.53 C ATOM 280 O PRO A 20 13.005 -10.355 -1.969 1.00 0.51 O ATOM 281 CB PRO A 20 15.140 -11.427 -4.170 1.00 0.55 C ATOM 282 CG PRO A 20 16.541 -10.949 -4.329 1.00 0.61 C ATOM 283 CD PRO A 20 16.446 -9.616 -5.014 1.00 0.61 C ATOM 0 HA PRO A 20 13.330 -10.193 -4.445 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.046 -12.098 -3.316 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.809 -11.981 -5.048 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.034 -10.857 -3.361 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.128 -11.651 -4.921 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.269 -8.959 -4.734 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.473 -9.717 -6.099 1.00 0.61 H new ATOM 288 N ALA A 21 14.957 -9.251 -1.814 1.00 0.58 N ATOM 289 CA ALA A 21 14.802 -8.961 -0.392 1.00 0.64 C ATOM 290 C ALA A 21 13.428 -8.366 -0.107 1.00 0.62 C ATOM 291 O ALA A 21 12.752 -8.759 0.843 1.00 0.65 O ATOM 292 CB ALA A 21 15.899 -8.019 0.077 1.00 0.71 C ATOM 0 H ALA A 21 15.820 -8.895 -2.226 1.00 0.58 H new ATOM 0 HA ALA A 21 14.887 -9.897 0.160 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.771 -7.811 1.139 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.872 -8.483 -0.087 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.842 -7.086 -0.484 1.00 0.71 H new ATOM 298 N TYR A 22 13.023 -7.412 -0.940 1.00 0.60 N ATOM 299 CA TYR A 22 11.725 -6.765 -0.788 1.00 0.61 C ATOM 300 C TYR A 22 10.638 -7.578 -1.484 1.00 0.54 C ATOM 301 O TYR A 22 9.592 -7.866 -0.901 1.00 0.57 O ATOM 302 CB TYR A 22 11.766 -5.349 -1.366 1.00 0.66 C ATOM 303 CG TYR A 22 12.766 -4.444 -0.683 1.00 0.90 C ATOM 304 CD1 TYR A 22 12.422 -3.738 0.464 1.00 0.99 C ATOM 305 CD2 TYR A 22 14.053 -4.295 -1.184 1.00 1.28 C ATOM 306 CE1 TYR A 22 13.333 -2.909 1.091 1.00 1.34 C ATOM 307 CE2 TYR A 22 14.970 -3.468 -0.562 1.00 1.72 C ATOM 308 CZ TYR A 22 14.606 -2.782 0.577 1.00 1.72 C ATOM 309 OH TYR A 22 15.513 -1.953 1.195 1.00 2.17 O ATOM 0 H TYR A 22 13.575 -7.070 -1.727 1.00 0.60 H new ATOM 0 HA TYR A 22 11.493 -6.707 0.276 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.006 -5.406 -2.428 1.00 0.66 H new ATOM 0 HB3 TYR A 22 10.774 -4.905 -1.287 1.00 0.66 H new ATOM 0 HD1 TYR A 22 11.427 -3.839 0.872 1.00 0.99 H new ATOM 0 HD2 TYR A 22 14.342 -4.834 -2.074 1.00 1.28 H new ATOM 0 HE1 TYR A 22 13.049 -2.364 1.979 1.00 1.34 H new ATOM 0 HE2 TYR A 22 15.966 -3.360 -0.966 1.00 1.72 H new ATOM 0 HH TYR A 22 16.363 -1.977 0.708 1.00 2.17 H new ATOM 318 N ARG A 23 10.897 -7.950 -2.734 1.00 0.48 N ATOM 319 CA ARG A 23 9.945 -8.731 -3.516 1.00 0.44 C ATOM 320 C ARG A 23 9.608 -10.042 -2.814 1.00 0.45 C ATOM 321 O ARG A 23 8.455 -10.292 -2.465 1.00 0.45 O ATOM 322 CB ARG A 23 10.516 -9.018 -4.906 1.00 0.45 C ATOM 323 CG ARG A 23 9.557 -9.768 -5.815 1.00 0.54 C ATOM 324 CD ARG A 23 8.280 -8.979 -6.049 1.00 0.53 C ATOM 325 NE ARG A 23 7.408 -9.629 -7.024 1.00 0.70 N ATOM 326 CZ ARG A 23 7.532 -9.481 -8.340 1.00 1.08 C ATOM 327 NH1 ARG A 23 8.492 -8.714 -8.841 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.696 -10.105 -9.158 1.00 1.47 N ATOM 0 H ARG A 23 11.760 -7.722 -3.228 1.00 0.48 H new ATOM 0 HA ARG A 23 9.029 -8.148 -3.616 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.789 -8.075 -5.379 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.432 -9.599 -4.800 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.042 -9.969 -6.770 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.313 -10.733 -5.371 1.00 0.54 H new ATOM 0 HD2 ARG A 23 7.747 -8.864 -5.105 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.531 -7.977 -6.398 1.00 0.53 H new ATOM 0 HE ARG A 23 6.662 -10.231 -6.676 1.00 0.70 H new ATOM 0 HH11 ARG A 23 9.140 -8.234 -8.216 1.00 1.57 H new ATOM 0 HH12 ARG A 23 8.582 -8.604 -9.851 1.00 1.57 H new ATOM 0 HH21 ARG A 23 5.958 -10.698 -8.778 1.00 1.47 H new ATOM 0 HH22 ARG A 23 6.790 -9.992 -10.167 1.00 1.47 H new ATOM 339 N GLN A 24 10.621 -10.876 -2.609 1.00 0.49 N ATOM 340 CA GLN A 24 10.432 -12.160 -1.945 1.00 0.55 C ATOM 341 C GLN A 24 9.682 -11.982 -0.629 1.00 0.58 C ATOM 342 O GLN A 24 8.895 -12.840 -0.227 1.00 0.66 O ATOM 343 CB GLN A 24 11.785 -12.828 -1.688 1.00 0.69 C ATOM 344 CG GLN A 24 12.606 -13.046 -2.949 1.00 1.52 C ATOM 345 CD GLN A 24 11.890 -13.907 -3.970 1.00 2.03 C ATOM 346 OE1 GLN A 24 12.010 -15.132 -3.962 1.00 2.61 O ATOM 347 NE2 GLN A 24 11.143 -13.268 -4.863 1.00 2.69 N ATOM 0 H GLN A 24 11.582 -10.686 -2.893 1.00 0.49 H new ATOM 0 HA GLN A 24 9.838 -12.798 -2.599 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.358 -12.214 -0.993 1.00 0.69 H new ATOM 0 HB3 GLN A 24 11.620 -13.789 -1.202 1.00 0.69 H new ATOM 0 HG2 GLN A 24 12.842 -12.080 -3.396 1.00 1.52 H new ATOM 0 HG3 GLN A 24 13.554 -13.515 -2.684 1.00 1.52 H new ATOM 0 HE21 GLN A 24 11.071 -12.251 -4.834 1.00 2.69 H new ATOM 0 HE22 GLN A 24 10.641 -13.794 -5.578 1.00 2.69 H new ATOM 354 N LYS A 25 9.930 -10.859 0.038 1.00 0.59 N ATOM 355 CA LYS A 25 9.285 -10.561 1.308 1.00 0.68 C ATOM 356 C LYS A 25 7.770 -10.707 1.198 1.00 0.61 C ATOM 357 O LYS A 25 7.147 -11.419 1.987 1.00 0.71 O ATOM 358 CB LYS A 25 9.641 -9.141 1.750 1.00 0.79 C ATOM 359 CG LYS A 25 9.422 -8.894 3.230 1.00 0.99 C ATOM 360 CD LYS A 25 9.844 -7.490 3.622 1.00 1.43 C ATOM 361 CE LYS A 25 10.025 -7.372 5.123 1.00 2.05 C ATOM 362 NZ LYS A 25 10.441 -6.001 5.529 1.00 2.59 N ATOM 0 H LYS A 25 10.577 -10.139 -0.284 1.00 0.59 H new ATOM 0 HA LYS A 25 9.644 -11.273 2.051 1.00 0.68 H new ATOM 0 HB2 LYS A 25 10.686 -8.945 1.508 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.043 -8.431 1.179 1.00 0.79 H new ATOM 0 HG2 LYS A 25 8.370 -9.041 3.474 1.00 0.99 H new ATOM 0 HG3 LYS A 25 9.989 -9.622 3.810 1.00 0.99 H new ATOM 0 HD2 LYS A 25 10.777 -7.234 3.119 1.00 1.43 H new ATOM 0 HD3 LYS A 25 9.094 -6.774 3.286 1.00 1.43 H new ATOM 0 HE2 LYS A 25 9.091 -7.630 5.622 1.00 2.05 H new ATOM 0 HE3 LYS A 25 10.773 -8.091 5.456 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 10.553 -5.964 6.562 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 11.345 -5.763 5.074 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 9.715 -5.317 5.235 1.00 2.59 H new ATOM 372 N LEU A 26 7.184 -10.027 0.219 1.00 0.55 N ATOM 373 CA LEU A 26 5.743 -10.081 0.006 1.00 0.57 C ATOM 374 C LEU A 26 5.297 -11.489 -0.376 1.00 0.60 C ATOM 375 O LEU A 26 4.287 -11.986 0.122 1.00 0.68 O ATOM 376 CB LEU A 26 5.330 -9.090 -1.085 1.00 0.55 C ATOM 377 CG LEU A 26 5.617 -7.623 -0.766 1.00 0.69 C ATOM 378 CD1 LEU A 26 5.208 -6.735 -1.930 1.00 1.30 C ATOM 379 CD2 LEU A 26 4.896 -7.203 0.507 1.00 1.29 C ATOM 0 H LEU A 26 7.685 -9.431 -0.440 1.00 0.55 H new ATOM 0 HA LEU A 26 5.255 -9.808 0.942 1.00 0.57 H new ATOM 0 HB2 LEU A 26 5.846 -9.353 -2.008 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.262 -9.203 -1.273 1.00 0.55 H new ATOM 0 HG LEU A 26 6.689 -7.508 -0.607 1.00 0.69 H new ATOM 0 HD11 LEU A 26 5.419 -5.694 -1.685 1.00 1.30 H new ATOM 0 HD12 LEU A 26 5.769 -7.020 -2.820 1.00 1.30 H new ATOM 0 HD13 LEU A 26 4.141 -6.853 -2.121 1.00 1.30 H new ATOM 0 HD21 LEU A 26 5.112 -6.156 0.719 1.00 1.29 H new ATOM 0 HD22 LEU A 26 3.822 -7.333 0.376 1.00 1.29 H new ATOM 0 HD23 LEU A 26 5.238 -7.819 1.339 1.00 1.29 H new ATOM 390 N LEU A 27 6.055 -12.127 -1.263 1.00 0.59 N ATOM 391 CA LEU A 27 5.736 -13.476 -1.714 1.00 0.71 C ATOM 392 C LEU A 27 5.450 -14.400 -0.532 1.00 0.82 C ATOM 393 O LEU A 27 4.722 -15.383 -0.662 1.00 0.95 O ATOM 394 CB LEU A 27 6.883 -14.042 -2.550 1.00 0.75 C ATOM 395 CG LEU A 27 7.195 -13.270 -3.832 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.320 -13.944 -4.598 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.951 -13.155 -4.701 1.00 0.77 C ATOM 0 H LEU A 27 6.895 -11.730 -1.684 1.00 0.59 H new ATOM 0 HA LEU A 27 4.838 -13.419 -2.329 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.782 -14.070 -1.934 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.645 -15.073 -2.814 1.00 0.75 H new ATOM 0 HG LEU A 27 7.518 -12.265 -3.560 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.529 -13.381 -5.508 1.00 0.82 H new ATOM 0 HD12 LEU A 27 9.215 -13.975 -3.977 1.00 0.82 H new ATOM 0 HD13 LEU A 27 8.024 -14.960 -4.860 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.191 -12.603 -5.609 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.598 -14.152 -4.965 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.171 -12.628 -4.152 1.00 0.77 H new ATOM 408 N SER A 28 6.030 -14.074 0.619 1.00 0.84 N ATOM 409 CA SER A 28 5.840 -14.873 1.822 1.00 0.98 C ATOM 410 C SER A 28 4.412 -14.742 2.345 1.00 0.89 C ATOM 411 O SER A 28 3.850 -15.693 2.890 1.00 0.99 O ATOM 412 CB SER A 28 6.834 -14.446 2.903 1.00 1.15 C ATOM 413 OG SER A 28 6.659 -15.203 4.088 1.00 1.64 O ATOM 0 H SER A 28 6.635 -13.262 0.743 1.00 0.84 H new ATOM 0 HA SER A 28 6.017 -15.918 1.566 1.00 0.98 H new ATOM 0 HB2 SER A 28 7.852 -14.572 2.535 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.703 -13.386 3.123 1.00 1.15 H new ATOM 0 HG SER A 28 7.308 -14.911 4.762 1.00 1.64 H new ATOM 418 N LEU A 29 3.830 -13.558 2.177 1.00 0.78 N ATOM 419 CA LEU A 29 2.468 -13.305 2.632 1.00 0.78 C ATOM 420 C LEU A 29 1.465 -13.534 1.504 1.00 0.74 C ATOM 421 O LEU A 29 0.292 -13.815 1.750 1.00 0.82 O ATOM 422 CB LEU A 29 2.342 -11.876 3.160 1.00 0.86 C ATOM 423 CG LEU A 29 3.272 -11.532 4.325 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.007 -10.119 4.822 1.00 1.64 C ATOM 425 CD2 LEU A 29 3.103 -12.539 5.454 1.00 1.42 C ATOM 0 H LEU A 29 4.280 -12.760 1.729 1.00 0.78 H new ATOM 0 HA LEU A 29 2.245 -14.004 3.438 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.539 -11.184 2.341 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.312 -11.711 3.476 1.00 0.86 H new ATOM 0 HG LEU A 29 4.302 -11.581 3.971 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.678 -9.893 5.651 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.179 -9.410 4.012 1.00 1.64 H new ATOM 0 HD13 LEU A 29 1.974 -10.040 5.160 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.771 -12.280 6.275 1.00 1.42 H new ATOM 0 HD22 LEU A 29 2.072 -12.521 5.806 1.00 1.42 H new ATOM 0 HD23 LEU A 29 3.345 -13.538 5.090 1.00 1.42 H new ATOM 436 N GLY A 30 1.936 -13.411 0.267 1.00 0.68 N ATOM 437 CA GLY A 30 1.067 -13.609 -0.879 1.00 0.73 C ATOM 438 C GLY A 30 0.619 -12.301 -1.502 1.00 0.71 C ATOM 439 O GLY A 30 -0.415 -12.248 -2.169 1.00 0.82 O ATOM 0 H GLY A 30 2.902 -13.178 0.038 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.589 -14.204 -1.628 1.00 0.73 H new ATOM 0 HA3 GLY A 30 0.191 -14.180 -0.572 1.00 0.73 H new ATOM 443 N MET A 31 1.397 -11.245 -1.286 1.00 0.63 N ATOM 444 CA MET A 31 1.071 -9.934 -1.834 1.00 0.66 C ATOM 445 C MET A 31 1.871 -9.657 -3.102 1.00 0.56 C ATOM 446 O MET A 31 2.984 -9.135 -3.045 1.00 0.54 O ATOM 447 CB MET A 31 1.341 -8.842 -0.798 1.00 0.74 C ATOM 448 CG MET A 31 0.541 -9.006 0.483 1.00 0.94 C ATOM 449 SD MET A 31 0.867 -7.698 1.679 1.00 1.95 S ATOM 450 CE MET A 31 -0.198 -8.198 3.027 1.00 2.55 C ATOM 0 H MET A 31 2.256 -11.272 -0.736 1.00 0.63 H new ATOM 0 HA MET A 31 0.011 -9.930 -2.088 1.00 0.66 H new ATOM 0 HB2 MET A 31 2.404 -8.839 -0.555 1.00 0.74 H new ATOM 0 HB3 MET A 31 1.112 -7.871 -1.238 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.522 -9.017 0.244 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.776 -9.971 0.933 1.00 0.94 H new ATOM 0 HE1 MET A 31 -0.288 -7.381 3.742 1.00 2.55 H new ATOM 0 HE2 MET A 31 -1.185 -8.449 2.637 1.00 2.55 H new ATOM 0 HE3 MET A 31 0.228 -9.070 3.524 1.00 2.55 H new ATOM 458 N LEU A 32 1.296 -10.013 -4.246 1.00 0.56 N ATOM 459 CA LEU A 32 1.952 -9.801 -5.530 1.00 0.49 C ATOM 460 C LEU A 32 1.542 -8.457 -6.126 1.00 0.44 C ATOM 461 O LEU A 32 0.496 -7.909 -5.775 1.00 0.45 O ATOM 462 CB LEU A 32 1.602 -10.933 -6.499 1.00 0.52 C ATOM 463 CG LEU A 32 2.161 -12.308 -6.127 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.649 -12.748 -4.764 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.800 -13.335 -7.189 1.00 0.66 C ATOM 0 H LEU A 32 0.376 -10.450 -4.310 1.00 0.56 H new ATOM 0 HA LEU A 32 3.030 -9.796 -5.368 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.517 -11.007 -6.569 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.968 -10.666 -7.491 1.00 0.52 H new ATOM 0 HG LEU A 32 3.247 -12.232 -6.075 1.00 0.59 H new ATOM 0 HD11 LEU A 32 2.059 -13.728 -4.520 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.960 -12.026 -4.008 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.561 -12.805 -4.785 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.206 -14.307 -6.908 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.716 -13.405 -7.274 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.220 -13.030 -8.148 1.00 0.66 H new ATOM 476 N PRO A 33 2.361 -7.908 -7.039 1.00 0.41 N ATOM 477 CA PRO A 33 2.075 -6.625 -7.680 1.00 0.40 C ATOM 478 C PRO A 33 0.612 -6.497 -8.088 1.00 0.38 C ATOM 479 O PRO A 33 0.110 -7.279 -8.896 1.00 0.51 O ATOM 480 CB PRO A 33 2.982 -6.651 -8.908 1.00 0.43 C ATOM 481 CG PRO A 33 4.158 -7.458 -8.478 1.00 0.45 C ATOM 482 CD PRO A 33 3.627 -8.495 -7.520 1.00 0.43 C ATOM 0 HA PRO A 33 2.253 -5.778 -7.018 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.481 -7.103 -9.764 1.00 0.43 H new ATOM 0 HB3 PRO A 33 3.277 -5.645 -9.206 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.641 -7.929 -9.334 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.907 -6.829 -7.996 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.462 -9.452 -8.016 1.00 0.43 H new ATOM 0 HD3 PRO A 33 4.322 -8.676 -6.700 1.00 0.43 H new ATOM 487 N GLY A 34 -0.068 -5.507 -7.519 1.00 0.34 N ATOM 488 CA GLY A 34 -1.469 -5.294 -7.828 1.00 0.33 C ATOM 489 C GLY A 34 -2.379 -5.680 -6.679 1.00 0.31 C ATOM 490 O GLY A 34 -3.513 -6.106 -6.893 1.00 0.40 O ATOM 0 H GLY A 34 0.327 -4.848 -6.849 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -1.628 -4.245 -8.077 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -1.736 -5.875 -8.711 1.00 0.33 H new ATOM 494 N SER A 35 -1.880 -5.528 -5.455 1.00 0.28 N ATOM 495 CA SER A 35 -2.658 -5.864 -4.267 1.00 0.28 C ATOM 496 C SER A 35 -3.349 -4.627 -3.702 1.00 0.28 C ATOM 497 O SER A 35 -3.126 -3.513 -4.171 1.00 0.37 O ATOM 498 CB SER A 35 -1.757 -6.491 -3.200 1.00 0.31 C ATOM 499 OG SER A 35 -2.504 -6.846 -2.048 1.00 0.62 O ATOM 0 H SER A 35 -0.943 -5.175 -5.261 1.00 0.28 H new ATOM 0 HA SER A 35 -3.422 -6.586 -4.556 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.267 -7.376 -3.607 1.00 0.31 H new ATOM 0 HB3 SER A 35 -0.970 -5.789 -2.925 1.00 0.31 H new ATOM 0 HG SER A 35 -1.907 -7.246 -1.382 1.00 0.62 H new ATOM 504 N SER A 36 -4.188 -4.832 -2.692 1.00 0.25 N ATOM 505 CA SER A 36 -4.911 -3.734 -2.063 1.00 0.25 C ATOM 506 C SER A 36 -4.600 -3.660 -0.571 1.00 0.23 C ATOM 507 O SER A 36 -4.337 -4.678 0.068 1.00 0.28 O ATOM 508 CB SER A 36 -6.417 -3.901 -2.273 1.00 0.30 C ATOM 509 OG SER A 36 -7.138 -2.846 -1.661 1.00 1.30 O ATOM 0 H SER A 36 -4.384 -5.749 -2.292 1.00 0.25 H new ATOM 0 HA SER A 36 -4.586 -2.804 -2.530 1.00 0.25 H new ATOM 0 HB2 SER A 36 -6.638 -3.925 -3.340 1.00 0.30 H new ATOM 0 HB3 SER A 36 -6.741 -4.856 -1.859 1.00 0.30 H new ATOM 0 HG SER A 36 -8.098 -2.975 -1.811 1.00 1.30 H new ATOM 514 N PHE A 37 -4.631 -2.450 -0.024 1.00 0.22 N ATOM 515 CA PHE A 37 -4.351 -2.247 1.393 1.00 0.23 C ATOM 516 C PHE A 37 -4.867 -0.889 1.856 1.00 0.23 C ATOM 517 O PHE A 37 -5.321 -0.079 1.047 1.00 0.33 O ATOM 518 CB PHE A 37 -2.848 -2.349 1.656 1.00 0.25 C ATOM 519 CG PHE A 37 -2.058 -1.217 1.064 1.00 0.26 C ATOM 520 CD1 PHE A 37 -1.715 -1.222 -0.279 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.659 -0.150 1.851 1.00 0.27 C ATOM 522 CE1 PHE A 37 -0.988 -0.180 -0.825 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.932 0.894 1.309 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.597 0.879 -0.030 1.00 0.33 C ATOM 0 H PHE A 37 -4.847 -1.596 -0.539 1.00 0.22 H new ATOM 0 HA PHE A 37 -4.865 -3.025 1.957 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.677 -2.377 2.732 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.479 -3.291 1.249 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.019 -2.048 -0.905 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.918 -0.133 2.899 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -0.726 -0.195 -1.873 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.626 1.721 1.933 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.030 1.694 -0.455 1.00 0.33 H new ATOM 533 N HIS A 38 -4.799 -0.644 3.161 1.00 0.21 N ATOM 534 CA HIS A 38 -5.261 0.620 3.722 1.00 0.24 C ATOM 535 C HIS A 38 -4.195 1.252 4.612 1.00 0.24 C ATOM 536 O HIS A 38 -3.633 0.597 5.489 1.00 0.40 O ATOM 537 CB HIS A 38 -6.547 0.405 4.522 1.00 0.28 C ATOM 538 CG HIS A 38 -7.655 -0.200 3.718 1.00 1.17 C ATOM 539 ND1 HIS A 38 -8.737 0.522 3.261 1.00 2.13 N ATOM 540 CD2 HIS A 38 -7.845 -1.471 3.288 1.00 1.98 C ATOM 541 CE1 HIS A 38 -9.545 -0.277 2.586 1.00 2.94 C ATOM 542 NE2 HIS A 38 -9.026 -1.490 2.589 1.00 2.82 N ATOM 0 H HIS A 38 -4.430 -1.302 3.847 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.462 1.300 2.894 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -6.332 -0.240 5.374 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.880 1.362 4.923 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -7.190 -2.312 3.463 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -10.471 0.013 2.113 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -9.437 -2.310 2.143 1.00 2.82 H new ATOM 550 N VAL A 39 -3.922 2.531 4.376 1.00 0.27 N ATOM 551 CA VAL A 39 -2.929 3.261 5.157 1.00 0.27 C ATOM 552 C VAL A 39 -3.509 3.712 6.494 1.00 0.28 C ATOM 553 O VAL A 39 -4.653 4.163 6.563 1.00 0.40 O ATOM 554 CB VAL A 39 -2.401 4.493 4.397 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.584 4.067 3.187 1.00 1.28 C ATOM 556 CG2 VAL A 39 -3.548 5.401 3.979 1.00 0.88 C ATOM 0 H VAL A 39 -4.375 3.085 3.649 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.101 2.575 5.332 1.00 0.27 H new ATOM 0 HB VAL A 39 -1.751 5.054 5.068 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.220 4.951 2.664 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -0.736 3.465 3.514 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -2.209 3.479 2.515 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -3.152 6.264 3.444 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -4.228 4.852 3.328 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -4.086 5.738 4.865 1.00 0.88 H new ATOM 566 N VAL A 40 -2.716 3.584 7.551 1.00 0.24 N ATOM 567 CA VAL A 40 -3.154 3.976 8.887 1.00 0.34 C ATOM 568 C VAL A 40 -2.615 5.350 9.269 1.00 0.37 C ATOM 569 O VAL A 40 -3.323 6.160 9.870 1.00 0.54 O ATOM 570 CB VAL A 40 -2.706 2.949 9.943 1.00 0.41 C ATOM 571 CG1 VAL A 40 -3.229 3.334 11.320 1.00 0.54 C ATOM 572 CG2 VAL A 40 -3.168 1.552 9.558 1.00 0.43 C ATOM 0 H VAL A 40 -1.767 3.212 7.510 1.00 0.24 H new ATOM 0 HA VAL A 40 -4.243 4.016 8.863 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.617 2.947 9.983 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -2.902 2.596 12.053 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -2.842 4.315 11.595 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -4.318 3.367 11.299 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.842 0.839 10.316 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -4.256 1.535 9.487 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.738 1.279 8.595 1.00 0.43 H new ATOM 582 N ARG A 41 -1.359 5.610 8.919 1.00 0.27 N ATOM 583 CA ARG A 41 -0.729 6.888 9.231 1.00 0.31 C ATOM 584 C ARG A 41 0.545 7.081 8.414 1.00 0.31 C ATOM 585 O ARG A 41 1.409 6.205 8.377 1.00 0.40 O ATOM 586 CB ARG A 41 -0.413 6.968 10.727 1.00 0.40 C ATOM 587 CG ARG A 41 0.575 5.915 11.199 1.00 0.47 C ATOM 588 CD ARG A 41 0.793 5.991 12.701 1.00 0.57 C ATOM 589 NE ARG A 41 1.788 5.025 13.159 1.00 1.37 N ATOM 590 CZ ARG A 41 2.273 5.000 14.395 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.853 5.881 15.293 1.00 0.94 N ATOM 592 NH2 ARG A 41 3.181 4.093 14.736 1.00 2.80 N ATOM 0 H ARG A 41 -0.758 4.954 8.420 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.426 7.685 8.971 1.00 0.31 H new ATOM 0 HB2 ARG A 41 -0.013 7.956 10.953 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.340 6.863 11.291 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.207 4.924 10.933 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.526 6.050 10.685 1.00 0.47 H new ATOM 0 HD2 ARG A 41 1.114 6.997 12.970 1.00 0.57 H new ATOM 0 HD3 ARG A 41 -0.151 5.810 13.214 1.00 0.57 H new ATOM 0 HE ARG A 41 2.129 4.332 12.493 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.156 6.580 15.035 1.00 0.94 H new ATOM 0 HH12 ARG A 41 2.227 5.860 16.242 1.00 0.94 H new ATOM 0 HH21 ARG A 41 3.507 3.414 14.048 1.00 2.80 H new ATOM 0 HH22 ARG A 41 3.552 4.075 15.686 1.00 2.80 H new ATOM 603 N VAL A 42 0.653 8.234 7.759 1.00 0.33 N ATOM 604 CA VAL A 42 1.820 8.539 6.937 1.00 0.39 C ATOM 605 C VAL A 42 2.270 9.983 7.134 1.00 0.43 C ATOM 606 O VAL A 42 1.497 10.830 7.580 1.00 0.49 O ATOM 607 CB VAL A 42 1.525 8.308 5.443 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.812 8.325 4.635 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.784 6.997 5.244 1.00 1.20 C ATOM 0 H VAL A 42 -0.052 8.971 7.781 1.00 0.33 H new ATOM 0 HA VAL A 42 2.617 7.866 7.255 1.00 0.39 H new ATOM 0 HB VAL A 42 0.889 9.119 5.088 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.583 8.160 3.582 1.00 0.97 H new ATOM 0 HG12 VAL A 42 3.303 9.291 4.753 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.475 7.536 4.990 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.584 6.850 4.183 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.394 6.174 5.616 1.00 1.20 H new ATOM 0 HG23 VAL A 42 -0.159 7.025 5.791 1.00 1.20 H new ATOM 619 N ALA A 43 3.527 10.256 6.797 1.00 0.47 N ATOM 620 CA ALA A 43 4.082 11.597 6.932 1.00 0.55 C ATOM 621 C ALA A 43 4.601 12.112 5.591 1.00 0.69 C ATOM 622 O ALA A 43 5.099 11.340 4.773 1.00 0.81 O ATOM 623 CB ALA A 43 5.198 11.604 7.965 1.00 0.55 C ATOM 0 H ALA A 43 4.180 9.565 6.428 1.00 0.47 H new ATOM 0 HA ALA A 43 3.286 12.262 7.267 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.604 12.612 8.056 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.803 11.284 8.929 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.988 10.922 7.652 1.00 0.55 H new ATOM 629 N PRO A 44 4.490 13.430 5.350 1.00 0.83 N ATOM 630 CA PRO A 44 4.953 14.046 4.103 1.00 1.00 C ATOM 631 C PRO A 44 6.478 14.128 4.019 1.00 0.98 C ATOM 632 O PRO A 44 7.035 14.359 2.946 1.00 1.15 O ATOM 633 CB PRO A 44 4.345 15.448 4.158 1.00 1.14 C ATOM 634 CG PRO A 44 4.207 15.740 5.612 1.00 1.34 C ATOM 635 CD PRO A 44 3.902 14.422 6.273 1.00 1.00 C ATOM 0 HA PRO A 44 4.655 13.468 3.229 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.987 16.178 3.666 1.00 1.14 H new ATOM 0 HB3 PRO A 44 3.379 15.482 3.653 1.00 1.14 H new ATOM 0 HG2 PRO A 44 5.124 16.174 6.011 1.00 1.34 H new ATOM 0 HG3 PRO A 44 3.409 16.460 5.791 1.00 1.34 H new ATOM 0 HD2 PRO A 44 4.346 14.359 7.266 1.00 1.00 H new ATOM 0 HD3 PRO A 44 2.829 14.272 6.393 1.00 1.00 H new ATOM 640 N LEU A 45 7.145 13.936 5.154 1.00 0.85 N ATOM 641 CA LEU A 45 8.602 13.991 5.202 1.00 0.90 C ATOM 642 C LEU A 45 9.209 12.602 5.036 1.00 0.91 C ATOM 643 O LEU A 45 10.102 12.396 4.214 1.00 1.23 O ATOM 644 CB LEU A 45 9.066 14.608 6.524 1.00 0.90 C ATOM 645 CG LEU A 45 10.581 14.720 6.695 1.00 1.76 C ATOM 646 CD1 LEU A 45 11.173 15.627 5.629 1.00 2.51 C ATOM 647 CD2 LEU A 45 10.921 15.237 8.085 1.00 2.25 C ATOM 0 H LEU A 45 6.700 13.741 6.051 1.00 0.85 H new ATOM 0 HA LEU A 45 8.943 14.615 4.376 1.00 0.90 H new ATOM 0 HB2 LEU A 45 8.632 15.604 6.614 1.00 0.90 H new ATOM 0 HB3 LEU A 45 8.667 14.011 7.344 1.00 0.90 H new ATOM 0 HG LEU A 45 11.016 13.727 6.580 1.00 1.76 H new ATOM 0 HD11 LEU A 45 12.252 15.694 5.767 1.00 2.51 H new ATOM 0 HD12 LEU A 45 10.958 15.217 4.642 1.00 2.51 H new ATOM 0 HD13 LEU A 45 10.734 16.621 5.712 1.00 2.51 H new ATOM 0 HD21 LEU A 45 12.003 15.311 8.191 1.00 2.25 H new ATOM 0 HD22 LEU A 45 10.474 16.221 8.226 1.00 2.25 H new ATOM 0 HD23 LEU A 45 10.529 14.550 8.835 1.00 2.25 H new ATOM 658 N GLY A 46 8.718 11.649 5.824 1.00 0.72 N ATOM 659 CA GLY A 46 9.224 10.291 5.754 1.00 0.72 C ATOM 660 C GLY A 46 9.102 9.564 7.078 1.00 0.66 C ATOM 661 O GLY A 46 9.963 9.696 7.948 1.00 0.77 O ATOM 0 H GLY A 46 7.978 11.795 6.510 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.677 9.741 4.988 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.270 10.310 5.447 1.00 0.72 H new ATOM 665 N ASP A 47 8.028 8.799 7.233 1.00 0.53 N ATOM 666 CA ASP A 47 7.790 8.054 8.464 1.00 0.49 C ATOM 667 C ASP A 47 7.314 6.637 8.166 1.00 0.46 C ATOM 668 O ASP A 47 7.003 6.304 7.022 1.00 0.46 O ATOM 669 CB ASP A 47 6.758 8.785 9.327 1.00 0.45 C ATOM 670 CG ASP A 47 7.312 10.060 9.933 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.545 11.024 9.176 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.513 10.091 11.165 1.00 1.07 O ATOM 0 H ASP A 47 7.307 8.678 6.521 1.00 0.53 H new ATOM 0 HA ASP A 47 8.732 7.987 9.009 1.00 0.49 H new ATOM 0 HB2 ASP A 47 5.884 9.024 8.720 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.421 8.123 10.125 1.00 0.45 H new ATOM 676 N PRO A 48 7.251 5.779 9.199 1.00 0.47 N ATOM 677 CA PRO A 48 6.814 4.397 9.057 1.00 0.47 C ATOM 678 C PRO A 48 5.298 4.276 9.128 1.00 0.37 C ATOM 679 O PRO A 48 4.685 4.581 10.152 1.00 0.38 O ATOM 680 CB PRO A 48 7.465 3.682 10.253 1.00 0.56 C ATOM 681 CG PRO A 48 8.138 4.746 11.070 1.00 0.61 C ATOM 682 CD PRO A 48 7.621 6.070 10.583 1.00 0.53 C ATOM 0 HA PRO A 48 7.099 3.974 8.094 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.716 3.154 10.844 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.186 2.938 9.915 1.00 0.56 H new ATOM 0 HG2 PRO A 48 7.920 4.614 12.130 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.221 4.690 10.958 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.767 6.411 11.168 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.381 6.849 10.644 1.00 0.53 H new ATOM 687 N VAL A 49 4.700 3.829 8.032 1.00 0.32 N ATOM 688 CA VAL A 49 3.256 3.675 7.953 1.00 0.26 C ATOM 689 C VAL A 49 2.861 2.200 8.004 1.00 0.28 C ATOM 690 O VAL A 49 3.625 1.323 7.602 1.00 0.39 O ATOM 691 CB VAL A 49 2.703 4.328 6.664 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.543 3.931 5.463 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.232 3.974 6.440 1.00 0.31 C ATOM 0 H VAL A 49 5.197 3.566 7.181 1.00 0.32 H new ATOM 0 HA VAL A 49 2.820 4.181 8.815 1.00 0.26 H new ATOM 0 HB VAL A 49 2.763 5.409 6.787 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.139 4.400 4.566 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.571 4.261 5.613 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.523 2.847 5.347 1.00 0.35 H new ATOM 0 HG21 VAL A 49 0.878 4.450 5.526 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.128 2.893 6.350 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.640 4.326 7.285 1.00 0.31 H new ATOM 703 N HIS A 50 1.657 1.945 8.502 1.00 0.29 N ATOM 704 CA HIS A 50 1.142 0.587 8.610 1.00 0.31 C ATOM 705 C HIS A 50 0.003 0.368 7.623 1.00 0.29 C ATOM 706 O HIS A 50 -0.918 1.181 7.531 1.00 0.31 O ATOM 707 CB HIS A 50 0.656 0.312 10.037 1.00 0.34 C ATOM 708 CG HIS A 50 1.761 0.232 11.044 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.177 1.313 11.792 1.00 1.13 N ATOM 710 CD2 HIS A 50 2.532 -0.811 11.432 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.157 0.939 12.595 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.391 -0.344 12.395 1.00 0.68 N ATOM 0 H HIS A 50 1.017 2.665 8.838 1.00 0.29 H new ATOM 0 HA HIS A 50 1.950 -0.105 8.373 1.00 0.31 H new ATOM 0 HB2 HIS A 50 -0.037 1.099 10.333 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.098 -0.625 10.047 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.481 -1.822 11.054 1.00 1.08 H new ATOM 0 HE1 HIS A 50 3.678 1.575 13.296 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.097 -0.899 12.878 1.00 0.68 H new ATOM 720 N ILE A 51 0.074 -0.733 6.883 1.00 0.32 N ATOM 721 CA ILE A 51 -0.951 -1.055 5.900 1.00 0.32 C ATOM 722 C ILE A 51 -1.865 -2.167 6.400 1.00 0.32 C ATOM 723 O ILE A 51 -1.409 -3.129 7.018 1.00 0.31 O ATOM 724 CB ILE A 51 -0.327 -1.488 4.560 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.461 -2.786 4.734 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.569 -0.386 4.012 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.082 -3.290 3.449 1.00 0.36 C ATOM 0 H ILE A 51 0.829 -1.416 6.946 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.536 -0.148 5.747 1.00 0.32 H new ATOM 0 HB ILE A 51 -1.129 -1.667 3.844 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.248 -2.628 5.472 1.00 0.34 H new ATOM 0 HG13 ILE A 51 -0.202 -3.554 5.134 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.003 -0.707 3.065 1.00 0.36 H new ATOM 0 HG22 ILE A 51 -0.020 0.517 3.854 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.367 -0.178 4.725 1.00 0.36 H new ATOM 0 HD11 ILE A 51 1.626 -4.214 3.646 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.298 -3.480 2.716 1.00 0.36 H new ATOM 0 HD13 ILE A 51 1.770 -2.540 3.059 1.00 0.36 H new ATOM 738 N GLU A 52 -3.158 -2.025 6.132 1.00 0.36 N ATOM 739 CA GLU A 52 -4.139 -3.019 6.549 1.00 0.39 C ATOM 740 C GLU A 52 -4.654 -3.803 5.347 1.00 0.42 C ATOM 741 O GLU A 52 -5.310 -3.245 4.465 1.00 0.43 O ATOM 742 CB GLU A 52 -5.305 -2.345 7.272 1.00 0.45 C ATOM 743 CG GLU A 52 -6.363 -3.321 7.763 1.00 1.01 C ATOM 744 CD GLU A 52 -7.506 -2.628 8.477 1.00 1.46 C ATOM 745 OE1 GLU A 52 -7.380 -2.379 9.694 1.00 2.13 O ATOM 746 OE2 GLU A 52 -8.526 -2.333 7.820 1.00 1.91 O ATOM 0 H GLU A 52 -3.551 -1.231 5.627 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.652 -3.713 7.234 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.918 -1.783 8.122 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.771 -1.625 6.600 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.756 -3.883 6.915 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.902 -4.043 8.437 1.00 1.01 H new ATOM 751 N THR A 53 -4.351 -5.096 5.315 1.00 0.52 N ATOM 752 CA THR A 53 -4.780 -5.955 4.219 1.00 0.58 C ATOM 753 C THR A 53 -5.790 -6.994 4.697 1.00 0.61 C ATOM 754 O THR A 53 -6.229 -6.964 5.846 1.00 0.60 O ATOM 755 CB THR A 53 -3.583 -6.672 3.567 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.948 -7.532 4.520 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.575 -5.665 3.036 1.00 0.64 C ATOM 0 H THR A 53 -3.809 -5.572 6.036 1.00 0.52 H new ATOM 0 HA THR A 53 -5.253 -5.312 3.477 1.00 0.58 H new ATOM 0 HB THR A 53 -3.954 -7.267 2.733 1.00 0.59 H new ATOM 0 HG1 THR A 53 -3.343 -7.387 5.405 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.738 -6.194 2.580 1.00 0.64 H new ATOM 0 HG22 THR A 53 -3.053 -5.030 2.290 1.00 0.64 H new ATOM 0 HG23 THR A 53 -2.210 -5.048 3.857 1.00 0.64 H new ATOM 765 N ARG A 54 -6.152 -7.911 3.806 1.00 0.68 N ATOM 766 CA ARG A 54 -7.116 -8.957 4.131 1.00 0.73 C ATOM 767 C ARG A 54 -6.720 -9.710 5.398 1.00 0.67 C ATOM 768 O ARG A 54 -5.869 -10.596 5.365 1.00 0.69 O ATOM 769 CB ARG A 54 -7.239 -9.941 2.966 1.00 0.84 C ATOM 770 CG ARG A 54 -8.378 -10.934 3.129 1.00 1.47 C ATOM 771 CD ARG A 54 -9.726 -10.231 3.152 1.00 1.53 C ATOM 772 NE ARG A 54 -10.004 -9.545 1.893 1.00 2.10 N ATOM 773 CZ ARG A 54 -10.975 -8.651 1.740 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.756 -8.335 2.764 1.00 1.97 N ATOM 775 NH2 ARG A 54 -11.165 -8.071 0.562 1.00 3.04 N ATOM 0 H ARG A 54 -5.792 -7.951 2.852 1.00 0.68 H new ATOM 0 HA ARG A 54 -8.078 -8.476 4.307 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -7.385 -9.381 2.042 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.302 -10.488 2.863 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -8.355 -11.654 2.311 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -8.243 -11.497 4.053 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -10.512 -10.960 3.350 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -9.746 -9.511 3.970 1.00 1.53 H new ATOM 0 HE ARG A 54 -9.420 -9.764 1.086 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -11.612 -8.778 3.671 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -12.501 -7.648 2.644 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -10.565 -8.311 -0.227 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -11.911 -7.385 0.446 1.00 3.04 H new ATOM 786 N ARG A 55 -7.344 -9.347 6.515 1.00 0.66 N ATOM 787 CA ARG A 55 -7.076 -9.993 7.793 1.00 0.66 C ATOM 788 C ARG A 55 -5.582 -10.017 8.110 1.00 0.62 C ATOM 789 O ARG A 55 -5.103 -10.918 8.800 1.00 0.70 O ATOM 790 CB ARG A 55 -7.627 -11.420 7.787 1.00 0.73 C ATOM 791 CG ARG A 55 -9.121 -11.495 7.514 1.00 1.06 C ATOM 792 CD ARG A 55 -9.601 -12.935 7.453 1.00 1.67 C ATOM 793 NE ARG A 55 -11.036 -13.025 7.189 1.00 2.43 N ATOM 794 CZ ARG A 55 -11.695 -14.175 7.088 1.00 3.17 C ATOM 795 NH1 ARG A 55 -11.052 -15.325 7.231 1.00 3.34 N ATOM 796 NH2 ARG A 55 -12.999 -14.175 6.845 1.00 4.11 N ATOM 0 H ARG A 55 -8.042 -8.605 6.559 1.00 0.66 H new ATOM 0 HA ARG A 55 -7.575 -9.412 8.568 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -7.099 -12.001 7.031 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -7.418 -11.885 8.751 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -9.663 -10.962 8.296 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -9.346 -10.995 6.572 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -9.055 -13.466 6.673 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -9.374 -13.433 8.396 1.00 1.67 H new ATOM 0 HE ARG A 55 -11.561 -12.158 7.076 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -10.049 -15.329 7.419 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -11.560 -16.206 7.153 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -13.497 -13.292 6.735 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -13.503 -15.058 6.768 1.00 4.11 H new ATOM 807 N VAL A 56 -4.850 -9.026 7.614 1.00 0.58 N ATOM 808 CA VAL A 56 -3.415 -8.950 7.855 1.00 0.57 C ATOM 809 C VAL A 56 -2.938 -7.502 7.886 1.00 0.49 C ATOM 810 O VAL A 56 -3.214 -6.725 6.971 1.00 0.50 O ATOM 811 CB VAL A 56 -2.623 -9.724 6.784 1.00 0.66 C ATOM 812 CG1 VAL A 56 -1.129 -9.630 7.051 1.00 1.02 C ATOM 813 CG2 VAL A 56 -3.070 -11.177 6.737 1.00 1.23 C ATOM 0 H VAL A 56 -5.225 -8.267 7.045 1.00 0.58 H new ATOM 0 HA VAL A 56 -3.232 -9.407 8.827 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.825 -9.272 5.813 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -0.587 -10.183 6.284 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -0.821 -8.585 7.031 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -0.907 -10.055 8.030 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -2.500 -11.709 5.975 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -2.899 -11.642 7.708 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -4.132 -11.223 6.494 1.00 1.23 H new ATOM 823 N SER A 57 -2.217 -7.146 8.944 1.00 0.48 N ATOM 824 CA SER A 57 -1.697 -5.793 9.100 1.00 0.43 C ATOM 825 C SER A 57 -0.181 -5.769 8.938 1.00 0.42 C ATOM 826 O SER A 57 0.553 -6.238 9.808 1.00 0.46 O ATOM 827 CB SER A 57 -2.081 -5.233 10.472 1.00 0.51 C ATOM 828 OG SER A 57 -1.570 -3.922 10.647 1.00 0.64 O ATOM 0 H SER A 57 -1.979 -7.778 9.708 1.00 0.48 H new ATOM 0 HA SER A 57 -2.138 -5.170 8.322 1.00 0.43 H new ATOM 0 HB2 SER A 57 -3.166 -5.221 10.573 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.695 -5.885 11.256 1.00 0.51 H new ATOM 0 HG SER A 57 -1.829 -3.585 11.530 1.00 0.64 H new ATOM 833 N LEU A 58 0.281 -5.225 7.818 1.00 0.38 N ATOM 834 CA LEU A 58 1.711 -5.140 7.544 1.00 0.40 C ATOM 835 C LEU A 58 2.226 -3.717 7.733 1.00 0.37 C ATOM 836 O LEU A 58 1.462 -2.754 7.650 1.00 0.38 O ATOM 837 CB LEU A 58 2.010 -5.615 6.122 1.00 0.43 C ATOM 838 CG LEU A 58 3.491 -5.631 5.746 1.00 0.96 C ATOM 839 CD1 LEU A 58 4.254 -6.603 6.630 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.663 -5.993 4.278 1.00 1.54 C ATOM 0 H LEU A 58 -0.313 -4.836 7.085 1.00 0.38 H new ATOM 0 HA LEU A 58 2.225 -5.788 8.254 1.00 0.40 H new ATOM 0 HB2 LEU A 58 1.608 -6.621 5.999 1.00 0.43 H new ATOM 0 HB3 LEU A 58 1.479 -4.971 5.421 1.00 0.43 H new ATOM 0 HG LEU A 58 3.899 -4.632 5.904 1.00 0.96 H new ATOM 0 HD11 LEU A 58 5.307 -6.601 6.348 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.157 -6.300 7.672 1.00 1.50 H new ATOM 0 HD13 LEU A 58 3.846 -7.606 6.504 1.00 1.50 H new ATOM 0 HD21 LEU A 58 4.724 -6.000 4.027 1.00 1.54 H new ATOM 0 HD22 LEU A 58 3.240 -6.981 4.095 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.148 -5.258 3.659 1.00 1.54 H new ATOM 851 N VAL A 59 3.525 -3.592 7.985 1.00 0.41 N ATOM 852 CA VAL A 59 4.145 -2.287 8.182 1.00 0.40 C ATOM 853 C VAL A 59 5.131 -1.971 7.063 1.00 0.40 C ATOM 854 O VAL A 59 5.962 -2.805 6.699 1.00 0.47 O ATOM 855 CB VAL A 59 4.884 -2.210 9.530 1.00 0.45 C ATOM 856 CG1 VAL A 59 5.983 -3.259 9.597 1.00 0.50 C ATOM 857 CG2 VAL A 59 5.453 -0.816 9.748 1.00 0.45 C ATOM 0 H VAL A 59 4.169 -4.380 8.058 1.00 0.41 H new ATOM 0 HA VAL A 59 3.338 -1.554 8.174 1.00 0.40 H new ATOM 0 HB VAL A 59 4.170 -2.414 10.328 1.00 0.45 H new ATOM 0 HG11 VAL A 59 6.494 -3.189 10.557 1.00 0.50 H new ATOM 0 HG12 VAL A 59 5.546 -4.252 9.490 1.00 0.50 H new ATOM 0 HG13 VAL A 59 6.698 -3.089 8.792 1.00 0.50 H new ATOM 0 HG21 VAL A 59 5.972 -0.781 10.706 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.153 -0.580 8.947 1.00 0.45 H new ATOM 0 HG23 VAL A 59 4.642 -0.088 9.748 1.00 0.45 H new ATOM 867 N LEU A 60 5.036 -0.762 6.520 1.00 0.39 N ATOM 868 CA LEU A 60 5.924 -0.338 5.444 1.00 0.40 C ATOM 869 C LEU A 60 6.760 0.864 5.877 1.00 0.38 C ATOM 870 O LEU A 60 6.265 1.765 6.554 1.00 0.48 O ATOM 871 CB LEU A 60 5.115 0.013 4.194 1.00 0.45 C ATOM 872 CG LEU A 60 4.238 -1.116 3.649 1.00 0.61 C ATOM 873 CD1 LEU A 60 3.541 -0.677 2.370 1.00 0.77 C ATOM 874 CD2 LEU A 60 5.070 -2.366 3.403 1.00 0.97 C ATOM 0 H LEU A 60 4.354 -0.060 6.807 1.00 0.39 H new ATOM 0 HA LEU A 60 6.596 -1.164 5.211 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.479 0.869 4.420 1.00 0.45 H new ATOM 0 HB3 LEU A 60 5.805 0.327 3.410 1.00 0.45 H new ATOM 0 HG LEU A 60 3.477 -1.352 4.392 1.00 0.61 H new ATOM 0 HD11 LEU A 60 2.921 -1.492 1.995 1.00 0.77 H new ATOM 0 HD12 LEU A 60 2.914 0.190 2.577 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.288 -0.415 1.620 1.00 0.77 H new ATOM 0 HD21 LEU A 60 4.430 -3.159 3.016 1.00 0.97 H new ATOM 0 HD22 LEU A 60 5.853 -2.145 2.678 1.00 0.97 H new ATOM 0 HD23 LEU A 60 5.524 -2.691 4.339 1.00 0.97 H new ATOM 885 N ARG A 61 8.029 0.871 5.483 1.00 0.51 N ATOM 886 CA ARG A 61 8.931 1.960 5.836 1.00 0.58 C ATOM 887 C ARG A 61 9.228 2.838 4.623 1.00 0.54 C ATOM 888 O ARG A 61 9.243 2.363 3.489 1.00 0.59 O ATOM 889 CB ARG A 61 10.232 1.403 6.412 1.00 0.69 C ATOM 890 CG ARG A 61 10.016 0.486 7.606 1.00 1.34 C ATOM 891 CD ARG A 61 11.333 -0.015 8.176 1.00 1.51 C ATOM 892 NE ARG A 61 11.126 -0.946 9.280 1.00 2.06 N ATOM 893 CZ ARG A 61 12.087 -1.327 10.114 1.00 2.47 C ATOM 894 NH1 ARG A 61 13.318 -0.856 9.972 1.00 2.45 N ATOM 895 NH2 ARG A 61 11.816 -2.179 11.093 1.00 3.32 N ATOM 0 H ARG A 61 8.455 0.135 4.920 1.00 0.51 H new ATOM 0 HA ARG A 61 8.442 2.575 6.592 1.00 0.58 H new ATOM 0 HB2 ARG A 61 10.761 0.855 5.633 1.00 0.69 H new ATOM 0 HB3 ARG A 61 10.874 2.232 6.710 1.00 0.69 H new ATOM 0 HG2 ARG A 61 9.464 1.020 8.380 1.00 1.34 H new ATOM 0 HG3 ARG A 61 9.403 -0.364 7.306 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.906 -0.506 7.389 1.00 1.51 H new ATOM 0 HD3 ARG A 61 11.925 0.832 8.521 1.00 1.51 H new ATOM 0 HE ARG A 61 10.190 -1.326 9.419 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.529 -0.199 9.221 1.00 2.45 H new ATOM 0 HH12 ARG A 61 14.054 -1.150 10.614 1.00 2.45 H new ATOM 0 HH21 ARG A 61 10.869 -2.542 11.206 1.00 3.32 H new ATOM 0 HH22 ARG A 61 12.554 -2.472 11.733 1.00 3.32 H new ATOM 906 N LYS A 62 9.465 4.121 4.877 1.00 0.69 N ATOM 907 CA LYS A 62 9.757 5.082 3.815 1.00 0.74 C ATOM 908 C LYS A 62 10.770 4.523 2.817 1.00 0.68 C ATOM 909 O LYS A 62 10.772 4.902 1.645 1.00 0.76 O ATOM 910 CB LYS A 62 10.290 6.384 4.414 1.00 0.92 C ATOM 911 CG LYS A 62 11.577 6.206 5.200 1.00 1.88 C ATOM 912 CD LYS A 62 11.322 6.190 6.700 1.00 2.95 C ATOM 913 CE LYS A 62 12.402 5.415 7.436 1.00 3.60 C ATOM 914 NZ LYS A 62 12.203 5.445 8.913 1.00 4.70 N ATOM 0 H LYS A 62 9.461 4.523 5.815 1.00 0.69 H new ATOM 0 HA LYS A 62 8.827 5.279 3.282 1.00 0.74 H new ATOM 0 HB2 LYS A 62 10.460 7.101 3.611 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.530 6.812 5.068 1.00 0.92 H new ATOM 0 HG2 LYS A 62 12.059 5.275 4.903 1.00 1.88 H new ATOM 0 HG3 LYS A 62 12.267 7.014 4.957 1.00 1.88 H new ATOM 0 HD2 LYS A 62 11.285 7.213 7.076 1.00 2.95 H new ATOM 0 HD3 LYS A 62 10.349 5.742 6.901 1.00 2.95 H new ATOM 0 HE2 LYS A 62 12.405 4.381 7.092 1.00 3.60 H new ATOM 0 HE3 LYS A 62 13.378 5.834 7.193 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 12.961 4.905 9.376 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 12.226 6.430 9.246 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 11.283 5.021 9.148 1.00 4.70 H new ATOM 924 N LYS A 63 11.628 3.622 3.286 1.00 0.64 N ATOM 925 CA LYS A 63 12.645 3.021 2.430 1.00 0.71 C ATOM 926 C LYS A 63 12.063 1.869 1.619 1.00 0.63 C ATOM 927 O LYS A 63 12.513 1.587 0.509 1.00 0.73 O ATOM 928 CB LYS A 63 13.824 2.525 3.268 1.00 0.88 C ATOM 929 CG LYS A 63 13.433 1.518 4.337 1.00 0.88 C ATOM 930 CD LYS A 63 14.657 0.925 5.018 1.00 1.10 C ATOM 931 CE LYS A 63 15.565 2.009 5.575 1.00 1.67 C ATOM 932 NZ LYS A 63 16.779 1.440 6.221 1.00 2.28 N ATOM 0 H LYS A 63 11.639 3.293 4.251 1.00 0.64 H new ATOM 0 HA LYS A 63 12.998 3.787 1.739 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.563 2.072 2.607 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.304 3.379 3.745 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.800 2.002 5.081 1.00 0.88 H new ATOM 0 HG3 LYS A 63 12.843 0.719 3.888 1.00 0.88 H new ATOM 0 HD2 LYS A 63 14.341 0.264 5.825 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.212 0.315 4.305 1.00 1.10 H new ATOM 0 HE2 LYS A 63 15.863 2.681 4.770 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.014 2.606 6.301 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 17.371 2.212 6.588 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 16.496 0.818 7.005 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 17.319 0.891 5.522 1.00 2.28 H new ATOM 942 N ASP A 64 11.060 1.204 2.182 1.00 0.54 N ATOM 943 CA ASP A 64 10.412 0.083 1.514 1.00 0.54 C ATOM 944 C ASP A 64 9.545 0.568 0.356 1.00 0.46 C ATOM 945 O ASP A 64 9.365 -0.138 -0.635 1.00 0.56 O ATOM 946 CB ASP A 64 9.560 -0.706 2.509 1.00 0.56 C ATOM 947 CG ASP A 64 8.893 -1.910 1.873 1.00 1.38 C ATOM 948 OD1 ASP A 64 9.518 -2.990 1.849 1.00 1.49 O ATOM 949 OD2 ASP A 64 7.746 -1.771 1.400 1.00 2.30 O ATOM 0 H ASP A 64 10.678 1.423 3.102 1.00 0.54 H new ATOM 0 HA ASP A 64 11.189 -0.569 1.114 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.187 -1.037 3.337 1.00 0.56 H new ATOM 0 HB3 ASP A 64 8.797 -0.051 2.929 1.00 0.56 H new ATOM 953 N LEU A 65 9.011 1.779 0.491 1.00 0.39 N ATOM 954 CA LEU A 65 8.163 2.358 -0.546 1.00 0.41 C ATOM 955 C LEU A 65 9.008 2.930 -1.680 1.00 0.45 C ATOM 956 O LEU A 65 8.578 2.962 -2.834 1.00 0.52 O ATOM 957 CB LEU A 65 7.269 3.454 0.039 1.00 0.51 C ATOM 958 CG LEU A 65 6.177 2.967 0.996 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.786 2.459 2.293 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.180 4.081 1.276 1.00 0.70 C ATOM 0 H LEU A 65 9.150 2.377 1.306 1.00 0.39 H new ATOM 0 HA LEU A 65 7.533 1.564 -0.946 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.899 4.170 0.567 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.796 3.991 -0.783 1.00 0.51 H new ATOM 0 HG LEU A 65 5.649 2.141 0.520 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.993 2.118 2.958 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.461 1.630 2.078 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.342 3.264 2.774 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.411 3.718 1.958 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.697 4.927 1.730 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.717 4.398 0.342 1.00 0.70 H new ATOM 971 N ALA A 66 10.212 3.379 -1.343 1.00 0.46 N ATOM 972 CA ALA A 66 11.119 3.951 -2.330 1.00 0.52 C ATOM 973 C ALA A 66 11.327 3.001 -3.505 1.00 0.50 C ATOM 974 O ALA A 66 11.675 3.426 -4.606 1.00 0.66 O ATOM 975 CB ALA A 66 12.454 4.293 -1.685 1.00 0.60 C ATOM 0 H ALA A 66 10.582 3.358 -0.393 1.00 0.46 H new ATOM 0 HA ALA A 66 10.666 4.866 -2.713 1.00 0.52 H new ATOM 0 HB1 ALA A 66 13.121 4.719 -2.434 1.00 0.60 H new ATOM 0 HB2 ALA A 66 12.297 5.017 -0.885 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.901 3.388 -1.273 1.00 0.60 H new ATOM 981 N LEU A 67 11.108 1.710 -3.264 1.00 0.37 N ATOM 982 CA LEU A 67 11.274 0.701 -4.304 1.00 0.35 C ATOM 983 C LEU A 67 9.936 0.347 -4.946 1.00 0.31 C ATOM 984 O LEU A 67 9.724 0.589 -6.134 1.00 0.30 O ATOM 985 CB LEU A 67 11.919 -0.561 -3.730 1.00 0.38 C ATOM 986 CG LEU A 67 13.388 -0.413 -3.332 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.921 -1.721 -2.769 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.218 0.032 -4.526 1.00 0.47 C ATOM 0 H LEU A 67 10.816 1.340 -2.359 1.00 0.37 H new ATOM 0 HA LEU A 67 11.927 1.120 -5.070 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.351 -0.875 -2.854 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.837 -1.360 -4.467 1.00 0.38 H new ATOM 0 HG LEU A 67 13.462 0.350 -2.557 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.968 -1.598 -2.491 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.342 -2.001 -1.889 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.836 -2.503 -3.523 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.261 0.133 -4.227 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.139 -0.710 -5.321 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.850 0.992 -4.887 1.00 0.47 H new ATOM 999 N ILE A 68 9.033 -0.217 -4.152 1.00 0.31 N ATOM 1000 CA ILE A 68 7.723 -0.612 -4.654 1.00 0.30 C ATOM 1001 C ILE A 68 6.913 0.604 -5.089 1.00 0.30 C ATOM 1002 O ILE A 68 7.111 1.706 -4.581 1.00 0.37 O ATOM 1003 CB ILE A 68 6.921 -1.392 -3.595 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.647 -0.505 -2.380 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.672 -2.649 -3.180 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.751 -1.154 -1.347 1.00 0.43 C ATOM 0 H ILE A 68 9.183 -0.410 -3.162 1.00 0.31 H new ATOM 0 HA ILE A 68 7.899 -1.259 -5.513 1.00 0.30 H new ATOM 0 HB ILE A 68 5.967 -1.690 -4.029 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.595 -0.241 -1.912 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.187 0.425 -2.715 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.092 -3.189 -2.431 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.823 -3.287 -4.051 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.639 -2.373 -2.760 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.600 -0.468 -0.514 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.788 -1.393 -1.799 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.218 -2.069 -0.983 1.00 0.43 H new ATOM 1017 N GLU A 69 5.999 0.395 -6.032 1.00 0.29 N ATOM 1018 CA GLU A 69 5.165 1.479 -6.534 1.00 0.32 C ATOM 1019 C GLU A 69 3.753 1.391 -5.962 1.00 0.31 C ATOM 1020 O GLU A 69 3.282 0.311 -5.607 1.00 0.37 O ATOM 1021 CB GLU A 69 5.108 1.436 -8.062 1.00 0.34 C ATOM 1022 CG GLU A 69 4.540 2.700 -8.684 1.00 0.44 C ATOM 1023 CD GLU A 69 4.607 2.687 -10.198 1.00 1.30 C ATOM 1024 OE1 GLU A 69 3.680 2.139 -10.829 1.00 2.29 O ATOM 1025 OE2 GLU A 69 5.591 3.220 -10.753 1.00 1.26 O ATOM 0 H GLU A 69 5.818 -0.512 -6.462 1.00 0.29 H new ATOM 0 HA GLU A 69 5.609 2.423 -6.216 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.113 1.270 -8.450 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.502 0.585 -8.371 1.00 0.34 H new ATOM 0 HG2 GLU A 69 3.503 2.820 -8.371 1.00 0.44 H new ATOM 0 HG3 GLU A 69 5.088 3.564 -8.307 1.00 0.44 H new ATOM 1030 N LEU A 70 3.084 2.537 -5.874 1.00 0.32 N ATOM 1031 CA LEU A 70 1.722 2.588 -5.353 1.00 0.33 C ATOM 1032 C LEU A 70 0.737 2.957 -6.460 1.00 0.33 C ATOM 1033 O LEU A 70 1.079 3.690 -7.388 1.00 0.45 O ATOM 1034 CB LEU A 70 1.623 3.602 -4.208 1.00 0.38 C ATOM 1035 CG LEU A 70 2.401 3.241 -2.940 1.00 0.95 C ATOM 1036 CD1 LEU A 70 2.022 1.849 -2.457 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.900 3.334 -3.186 1.00 1.85 C ATOM 0 H LEU A 70 3.462 3.441 -6.156 1.00 0.32 H new ATOM 0 HA LEU A 70 1.467 1.599 -4.972 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.978 4.567 -4.569 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.572 3.727 -3.946 1.00 0.38 H new ATOM 0 HG LEU A 70 2.137 3.957 -2.161 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.586 1.611 -1.555 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.955 1.818 -2.237 1.00 1.25 H new ATOM 0 HD13 LEU A 70 2.254 1.119 -3.233 1.00 1.25 H new ATOM 0 HD21 LEU A 70 4.435 3.074 -2.273 1.00 1.85 H new ATOM 0 HD22 LEU A 70 4.182 2.644 -3.981 1.00 1.85 H new ATOM 0 HD23 LEU A 70 4.158 4.351 -3.480 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.486 2.445 -6.360 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.516 2.726 -7.355 1.00 0.38 C ATOM 1050 C GLU A 71 -2.819 3.152 -6.683 1.00 0.37 C ATOM 1051 O GLU A 71 -3.316 2.473 -5.785 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.757 1.494 -8.231 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.842 1.693 -9.279 1.00 0.54 C ATOM 1054 CD GLU A 71 -3.047 0.468 -10.147 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -3.853 -0.405 -9.764 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -2.397 0.380 -11.211 1.00 1.26 O ATOM 0 H GLU A 71 -0.788 1.834 -5.601 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.168 3.546 -7.983 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.826 1.226 -8.731 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.030 0.653 -7.593 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.780 1.943 -8.783 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -2.580 2.542 -9.911 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.367 4.279 -7.125 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.610 4.798 -6.567 1.00 0.52 C ATOM 1063 C ALA A 72 -5.763 3.821 -6.779 1.00 0.44 C ATOM 1064 O ALA A 72 -5.731 2.994 -7.690 1.00 0.53 O ATOM 1065 CB ALA A 72 -4.940 6.150 -7.179 1.00 0.76 C ATOM 0 H ALA A 72 -2.969 4.851 -7.870 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.470 4.922 -5.493 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -5.871 6.525 -6.753 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.134 6.852 -6.966 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.052 6.043 -8.258 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.783 3.927 -5.931 1.00 0.58 N ATOM 1072 CA VAL A 73 -7.949 3.057 -6.024 1.00 0.64 C ATOM 1073 C VAL A 73 -8.668 3.241 -7.356 1.00 0.83 C ATOM 1074 O VAL A 73 -8.271 4.068 -8.176 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.941 3.323 -4.875 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -8.284 3.061 -3.528 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.474 4.747 -4.948 1.00 1.16 C ATOM 0 H VAL A 73 -6.824 4.607 -5.172 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.586 2.032 -5.950 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.782 2.638 -4.981 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -9.001 3.255 -2.730 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.957 2.022 -3.478 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -7.423 3.718 -3.409 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -10.173 4.916 -4.129 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.645 5.450 -4.869 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -9.986 4.895 -5.899 1.00 1.16 H new ATOM 1087 N ALA A 74 -9.727 2.465 -7.566 1.00 0.99 N ATOM 1088 CA ALA A 74 -10.497 2.543 -8.801 1.00 1.25 C ATOM 1089 C ALA A 74 -11.941 2.948 -8.528 1.00 1.66 C ATOM 1090 O ALA A 74 -12.635 2.311 -7.735 1.00 2.28 O ATOM 1091 CB ALA A 74 -10.452 1.212 -9.534 1.00 1.57 C ATOM 0 H ALA A 74 -10.071 1.776 -6.897 1.00 0.99 H new ATOM 0 HA ALA A 74 -10.047 3.310 -9.431 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -11.031 1.284 -10.455 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -9.418 0.964 -9.774 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -10.874 0.433 -8.900 1.00 1.57 H new ATOM 1097 N GLN A 75 -12.387 4.008 -9.191 1.00 1.95 N ATOM 1098 CA GLN A 75 -13.750 4.498 -9.023 1.00 2.53 C ATOM 1099 C GLN A 75 -14.654 3.980 -10.138 1.00 2.88 C ATOM 1100 O GLN A 75 -14.298 4.037 -11.315 1.00 3.14 O ATOM 1101 CB GLN A 75 -13.766 6.029 -9.007 1.00 3.27 C ATOM 1102 CG GLN A 75 -12.864 6.636 -7.944 1.00 3.83 C ATOM 1103 CD GLN A 75 -13.199 6.148 -6.547 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -14.014 6.748 -5.846 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -12.569 5.053 -6.137 1.00 5.13 N ATOM 0 H GLN A 75 -11.824 4.545 -9.851 1.00 1.95 H new ATOM 0 HA GLN A 75 -14.129 4.128 -8.070 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -13.459 6.397 -9.986 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -14.788 6.372 -8.844 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -11.826 6.392 -8.171 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -12.951 7.722 -7.976 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -11.901 4.588 -6.752 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -12.753 4.677 -5.207 1.00 5.13 H new TER 1112 GLN A 75