USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 50 ASN : amide:sc= 0.717 K(o=-0.91,f=-1.9) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 154:sc= -1.63! (180deg=-4.87!) USER MOD Single : A 1 SER N :NH3+ 143:sc= 1.03 (180deg=0.0907) USER MOD Single : A 1 SER OG : rot 180:sc= -0.22 USER MOD Single : A 2 LYS NZ :NH3+ 141:sc= 3.2 (180deg=2.35) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.1) USER MOD Single : A 7 THR OG1 : rot 49:sc= 0.548 USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.144 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 16 LYS NZ :NH3+ 141:sc= 2.05 (180deg=0.375!) USER MOD Single : A 19 GLN : amide:sc= -0.905 K(o=-0.9,f=-0.084) USER MOD Single : A 20 TYR OH : rot -140:sc= -1.11 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 5:sc= 0.887 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.688 K(o=0.69,f=-4.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -109:sc= 1.57 (180deg=0.837) USER MOD Single : A 47 SER OG : rot -116:sc= 1.29 USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0.485 (180deg=-0.698!) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.0651 (180deg=-0.372) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -1.89 (180deg=-1.89) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 1 (180deg=0.217!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.230 23.923 12.094 1.00 15.00 N ATOM 2 CA SER A 1 7.747 22.799 11.289 1.00 15.00 C ATOM 3 C SER A 1 8.956 22.203 10.571 1.00 15.00 C ATOM 4 O SER A 1 10.014 22.843 10.547 1.00 15.00 O ATOM 5 CB SER A 1 6.669 23.291 10.300 1.00 15.00 C ATOM 6 OG SER A 1 6.222 22.277 9.415 1.00 15.00 O ATOM 0 H1 SER A 1 7.525 24.687 12.082 1.00 15.00 H new ATOM 0 H2 SER A 1 8.382 23.608 13.073 1.00 15.00 H new ATOM 0 H3 SER A 1 9.126 24.273 11.699 1.00 15.00 H new ATOM 0 HA SER A 1 7.281 22.032 11.907 1.00 15.00 H new ATOM 0 HB2 SER A 1 5.818 23.676 10.862 1.00 15.00 H new ATOM 0 HB3 SER A 1 7.070 24.122 9.719 1.00 15.00 H new ATOM 0 HG SER A 1 5.540 22.644 8.814 1.00 15.00 H new ATOM 12 N LYS A 2 8.811 21.025 9.970 1.00 15.00 N ATOM 13 CA LYS A 2 9.858 20.357 9.227 1.00 15.00 C ATOM 14 C LYS A 2 9.068 19.486 8.322 1.00 15.00 C ATOM 15 O LYS A 2 8.306 18.673 8.821 1.00 15.00 O ATOM 16 CB LYS A 2 10.747 19.493 10.157 1.00 15.00 C ATOM 17 CG LYS A 2 11.568 20.296 11.168 1.00 15.00 C ATOM 18 CD LYS A 2 12.331 19.412 12.123 1.00 15.00 C ATOM 19 CE LYS A 2 13.083 20.248 13.142 1.00 15.00 C ATOM 20 NZ LYS A 2 13.589 19.439 14.261 1.00 15.00 N ATOM 0 H LYS A 2 7.936 20.501 9.991 1.00 15.00 H new ATOM 0 HA LYS A 2 10.541 21.041 8.723 1.00 15.00 H new ATOM 0 HB2 LYS A 2 10.112 18.791 10.698 1.00 15.00 H new ATOM 0 HB3 LYS A 2 11.426 18.901 9.544 1.00 15.00 H new ATOM 0 HG2 LYS A 2 12.268 20.939 10.634 1.00 15.00 H new ATOM 0 HG3 LYS A 2 10.904 20.949 11.734 1.00 15.00 H new ATOM 0 HD2 LYS A 2 11.642 18.740 12.634 1.00 15.00 H new ATOM 0 HD3 LYS A 2 13.032 18.788 11.568 1.00 15.00 H new ATOM 0 HE2 LYS A 2 13.918 20.750 12.653 1.00 15.00 H new ATOM 0 HE3 LYS A 2 12.425 21.026 13.527 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 14.535 19.775 14.533 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 12.944 19.526 15.072 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 13.647 18.442 13.970 1.00 15.00 H new ATOM 34 N TRP A 3 9.175 19.639 7.061 1.00 15.00 N ATOM 35 CA TRP A 3 8.290 18.973 6.164 1.00 15.00 C ATOM 36 C TRP A 3 9.084 18.059 5.307 1.00 15.00 C ATOM 37 O TRP A 3 9.953 18.490 4.548 1.00 15.00 O ATOM 38 CB TRP A 3 7.605 20.027 5.264 1.00 15.00 C ATOM 39 CG TRP A 3 6.414 19.482 4.524 1.00 15.00 C ATOM 40 CD1 TRP A 3 5.116 19.543 4.936 1.00 15.00 C ATOM 41 CD2 TRP A 3 6.403 18.779 3.271 1.00 15.00 C ATOM 42 NE1 TRP A 3 4.302 18.923 4.029 1.00 15.00 N ATOM 43 CE2 TRP A 3 5.065 18.447 2.997 1.00 15.00 C ATOM 44 CE3 TRP A 3 7.392 18.399 2.359 1.00 15.00 C ATOM 45 CZ2 TRP A 3 4.693 17.753 1.853 1.00 15.00 C ATOM 46 CZ3 TRP A 3 7.019 17.710 1.227 1.00 15.00 C ATOM 47 CH2 TRP A 3 5.682 17.394 0.982 1.00 15.00 C ATOM 0 H TRP A 3 9.876 20.228 6.611 1.00 15.00 H new ATOM 0 HA TRP A 3 7.540 18.413 6.722 1.00 15.00 H new ATOM 0 HB2 TRP A 3 7.290 20.871 5.877 1.00 15.00 H new ATOM 0 HB3 TRP A 3 8.329 20.409 4.545 1.00 15.00 H new ATOM 0 HD1 TRP A 3 4.779 20.013 5.848 1.00 15.00 H new ATOM 0 HE1 TRP A 3 3.289 18.830 4.109 1.00 15.00 H new ATOM 0 HE3 TRP A 3 8.429 18.641 2.539 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 3.660 17.506 1.659 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 7.774 17.409 0.516 1.00 15.00 H new ATOM 0 HH2 TRP A 3 5.423 16.853 0.083 1.00 15.00 H new ATOM 58 N ILE A 4 8.820 16.789 5.447 1.00 15.00 N ATOM 59 CA ILE A 4 9.418 15.772 4.633 1.00 15.00 C ATOM 60 C ILE A 4 8.293 14.968 4.072 1.00 15.00 C ATOM 61 O ILE A 4 7.172 15.013 4.617 1.00 15.00 O ATOM 62 CB ILE A 4 10.303 14.813 5.468 1.00 15.00 C ATOM 63 CG1 ILE A 4 9.411 14.012 6.466 1.00 15.00 C ATOM 64 CG2 ILE A 4 11.365 15.608 6.189 1.00 15.00 C ATOM 65 CD1 ILE A 4 10.103 12.954 7.286 1.00 15.00 C ATOM 0 H ILE A 4 8.170 16.427 6.145 1.00 15.00 H new ATOM 0 HA ILE A 4 10.043 16.239 3.872 1.00 15.00 H new ATOM 0 HB ILE A 4 10.801 14.098 4.813 1.00 15.00 H new ATOM 0 HG12 ILE A 4 8.942 14.721 7.149 1.00 15.00 H new ATOM 0 HG13 ILE A 4 8.610 13.536 5.901 1.00 15.00 H new ATOM 0 HG21 ILE A 4 11.988 14.934 6.777 1.00 15.00 H new ATOM 0 HG22 ILE A 4 11.984 16.132 5.461 1.00 15.00 H new ATOM 0 HG23 ILE A 4 10.891 16.333 6.851 1.00 15.00 H new ATOM 0 HD11 ILE A 4 9.378 12.469 7.940 1.00 15.00 H new ATOM 0 HD12 ILE A 4 10.547 12.212 6.622 1.00 15.00 H new ATOM 0 HD13 ILE A 4 10.885 13.415 7.890 1.00 15.00 H new ATOM 77 N LYS A 5 8.510 14.303 2.985 1.00 15.00 N ATOM 78 CA LYS A 5 7.526 13.406 2.513 1.00 15.00 C ATOM 79 C LYS A 5 7.944 11.954 2.899 1.00 15.00 C ATOM 80 O LYS A 5 8.449 11.747 3.997 1.00 15.00 O ATOM 81 CB LYS A 5 7.348 13.670 1.015 1.00 15.00 C ATOM 82 CG LYS A 5 6.102 13.087 0.379 1.00 15.00 C ATOM 83 CD LYS A 5 6.000 13.586 -1.040 1.00 15.00 C ATOM 84 CE LYS A 5 4.715 13.175 -1.714 1.00 15.00 C ATOM 85 NZ LYS A 5 4.525 13.926 -2.966 1.00 15.00 N ATOM 0 H LYS A 5 9.354 14.367 2.416 1.00 15.00 H new ATOM 0 HA LYS A 5 6.547 13.549 2.971 1.00 15.00 H new ATOM 0 HB2 LYS A 5 7.343 14.748 0.855 1.00 15.00 H new ATOM 0 HB3 LYS A 5 8.218 13.274 0.491 1.00 15.00 H new ATOM 0 HG2 LYS A 5 6.145 11.998 0.394 1.00 15.00 H new ATOM 0 HG3 LYS A 5 5.218 13.378 0.946 1.00 15.00 H new ATOM 0 HD2 LYS A 5 6.075 14.673 -1.044 1.00 15.00 H new ATOM 0 HD3 LYS A 5 6.844 13.206 -1.615 1.00 15.00 H new ATOM 0 HE2 LYS A 5 4.734 12.106 -1.924 1.00 15.00 H new ATOM 0 HE3 LYS A 5 3.873 13.354 -1.045 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 3.701 13.549 -3.475 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 4.367 14.931 -2.748 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 5.373 13.830 -3.561 1.00 15.00 H new ATOM 99 N PHE A 6 7.845 11.007 1.992 1.00 15.00 N ATOM 100 CA PHE A 6 7.968 9.629 2.428 1.00 15.00 C ATOM 101 C PHE A 6 8.254 8.631 1.330 1.00 15.00 C ATOM 102 O PHE A 6 8.309 8.978 0.141 1.00 15.00 O ATOM 103 CB PHE A 6 6.599 9.247 3.051 1.00 15.00 C ATOM 104 CG PHE A 6 6.681 8.576 4.410 1.00 15.00 C ATOM 105 CD1 PHE A 6 7.418 9.144 5.438 1.00 15.00 C ATOM 106 CD2 PHE A 6 6.017 7.390 4.656 1.00 15.00 C ATOM 107 CE1 PHE A 6 7.490 8.541 6.677 1.00 15.00 C ATOM 108 CE2 PHE A 6 6.083 6.785 5.893 1.00 15.00 C ATOM 109 CZ PHE A 6 6.821 7.360 6.905 1.00 15.00 C ATOM 0 H PHE A 6 7.687 11.150 0.994 1.00 15.00 H new ATOM 0 HA PHE A 6 8.816 9.582 3.111 1.00 15.00 H new ATOM 0 HB2 PHE A 6 5.994 10.149 3.143 1.00 15.00 H new ATOM 0 HB3 PHE A 6 6.077 8.581 2.364 1.00 15.00 H new ATOM 0 HD1 PHE A 6 7.943 10.072 5.266 1.00 15.00 H new ATOM 0 HD2 PHE A 6 5.438 6.930 3.869 1.00 15.00 H new ATOM 0 HE1 PHE A 6 8.070 8.995 7.467 1.00 15.00 H new ATOM 0 HE2 PHE A 6 5.556 5.859 6.069 1.00 15.00 H new ATOM 0 HZ PHE A 6 6.874 6.885 7.874 1.00 15.00 H new ATOM 119 N THR A 7 8.432 7.389 1.745 1.00 15.00 N ATOM 120 CA THR A 7 8.233 6.267 0.899 1.00 15.00 C ATOM 121 C THR A 7 6.709 6.193 0.856 1.00 15.00 C ATOM 122 O THR A 7 6.097 6.132 1.904 1.00 15.00 O ATOM 123 CB THR A 7 8.686 5.013 1.683 1.00 15.00 C ATOM 124 OG1 THR A 7 8.469 5.253 3.093 1.00 15.00 O ATOM 125 CG2 THR A 7 10.115 4.647 1.461 1.00 15.00 C ATOM 0 H THR A 7 8.722 7.148 2.693 1.00 15.00 H new ATOM 0 HA THR A 7 8.740 6.329 -0.064 1.00 15.00 H new ATOM 0 HB THR A 7 8.095 4.174 1.317 1.00 15.00 H new ATOM 0 HG1 THR A 7 7.563 5.600 3.230 1.00 15.00 H new ATOM 0 HG21 THR A 7 10.358 3.758 2.044 1.00 15.00 H new ATOM 0 HG22 THR A 7 10.278 4.443 0.403 1.00 15.00 H new ATOM 0 HG23 THR A 7 10.755 5.472 1.774 1.00 15.00 H new ATOM 133 N THR A 8 6.092 6.233 -0.267 1.00 15.00 N ATOM 134 CA THR A 8 4.665 6.194 -0.297 1.00 15.00 C ATOM 135 C THR A 8 4.301 4.877 -0.957 1.00 15.00 C ATOM 136 O THR A 8 4.184 4.806 -2.188 1.00 15.00 O ATOM 137 CB THR A 8 4.182 7.415 -1.123 1.00 15.00 C ATOM 138 OG1 THR A 8 5.023 7.577 -2.282 1.00 15.00 O ATOM 139 CG2 THR A 8 4.240 8.689 -0.286 1.00 15.00 C ATOM 0 H THR A 8 6.545 6.293 -1.179 1.00 15.00 H new ATOM 0 HA THR A 8 4.199 6.250 0.687 1.00 15.00 H new ATOM 0 HB THR A 8 3.151 7.238 -1.429 1.00 15.00 H new ATOM 0 HG1 THR A 8 5.106 6.719 -2.749 1.00 15.00 H new ATOM 0 HG21 THR A 8 3.897 9.533 -0.884 1.00 15.00 H new ATOM 0 HG22 THR A 8 3.598 8.579 0.588 1.00 15.00 H new ATOM 0 HG23 THR A 8 5.266 8.866 0.037 1.00 15.00 H new ATOM 147 N ASN A 9 4.201 3.810 -0.186 1.00 15.00 N ATOM 148 CA ASN A 9 4.143 2.495 -0.784 1.00 15.00 C ATOM 149 C ASN A 9 3.278 1.483 -0.025 1.00 15.00 C ATOM 150 O ASN A 9 2.126 1.228 -0.399 1.00 15.00 O ATOM 151 CB ASN A 9 5.597 1.939 -0.845 1.00 15.00 C ATOM 152 CG ASN A 9 5.700 0.616 -1.592 1.00 15.00 C ATOM 153 OD1 ASN A 9 4.928 0.345 -2.507 1.00 15.00 O ATOM 154 ND2 ASN A 9 6.655 -0.204 -1.218 1.00 15.00 N ATOM 0 H ASN A 9 4.159 3.828 0.833 1.00 15.00 H new ATOM 0 HA ASN A 9 3.682 2.616 -1.764 1.00 15.00 H new ATOM 0 HB2 ASN A 9 6.240 2.674 -1.329 1.00 15.00 H new ATOM 0 HB3 ASN A 9 5.972 1.806 0.170 1.00 15.00 H new ATOM 0 HD21 ASN A 9 6.773 -1.099 -1.692 1.00 15.00 H new ATOM 0 HD22 ASN A 9 7.278 0.054 -0.453 1.00 15.00 H new ATOM 161 N LEU A 10 3.826 0.942 1.050 1.00 15.00 N ATOM 162 CA LEU A 10 3.217 -0.180 1.738 1.00 15.00 C ATOM 163 C LEU A 10 3.254 0.066 3.259 1.00 15.00 C ATOM 164 O LEU A 10 3.278 1.170 3.670 1.00 15.00 O ATOM 165 CB LEU A 10 3.928 -1.482 1.306 1.00 15.00 C ATOM 166 CG LEU A 10 3.123 -2.783 1.481 1.00 15.00 C ATOM 167 CD1 LEU A 10 1.846 -2.719 0.663 1.00 15.00 C ATOM 168 CD2 LEU A 10 3.938 -3.978 1.041 1.00 15.00 C ATOM 0 H LEU A 10 4.699 1.266 1.467 1.00 15.00 H new ATOM 0 HA LEU A 10 2.166 -0.285 1.467 1.00 15.00 H new ATOM 0 HB2 LEU A 10 4.206 -1.389 0.256 1.00 15.00 H new ATOM 0 HB3 LEU A 10 4.854 -1.572 1.874 1.00 15.00 H new ATOM 0 HG LEU A 10 2.876 -2.891 2.537 1.00 15.00 H new ATOM 0 HD11 LEU A 10 1.284 -3.644 0.793 1.00 15.00 H new ATOM 0 HD12 LEU A 10 1.241 -1.876 0.998 1.00 15.00 H new ATOM 0 HD13 LEU A 10 2.095 -2.591 -0.391 1.00 15.00 H new ATOM 0 HD21 LEU A 10 3.351 -4.887 1.173 1.00 15.00 H new ATOM 0 HD22 LEU A 10 4.206 -3.868 -0.010 1.00 15.00 H new ATOM 0 HD23 LEU A 10 4.845 -4.041 1.642 1.00 15.00 H new ATOM 180 N THR A 11 3.238 -0.943 4.074 1.00 15.00 N ATOM 181 CA THR A 11 3.165 -0.740 5.455 1.00 15.00 C ATOM 182 C THR A 11 4.355 -1.395 6.034 1.00 15.00 C ATOM 183 O THR A 11 5.098 -0.756 6.788 1.00 15.00 O ATOM 184 CB THR A 11 1.843 -1.290 6.043 1.00 15.00 C ATOM 185 OG1 THR A 11 0.755 -0.782 5.254 1.00 15.00 O ATOM 186 CG2 THR A 11 1.666 -0.823 7.483 1.00 15.00 C ATOM 0 H THR A 11 3.276 -1.920 3.785 1.00 15.00 H new ATOM 0 HA THR A 11 3.160 0.323 5.698 1.00 15.00 H new ATOM 0 HB THR A 11 1.864 -2.380 6.026 1.00 15.00 H new ATOM 0 HG1 THR A 11 -0.093 -1.121 5.610 1.00 15.00 H new ATOM 0 HG21 THR A 11 0.732 -1.218 7.882 1.00 15.00 H new ATOM 0 HG22 THR A 11 2.499 -1.182 8.087 1.00 15.00 H new ATOM 0 HG23 THR A 11 1.640 0.266 7.512 1.00 15.00 H new ATOM 194 N PRO A 12 4.615 -2.708 5.690 1.00 15.00 N ATOM 195 CA PRO A 12 5.842 -3.309 6.065 1.00 15.00 C ATOM 196 C PRO A 12 7.077 -2.525 5.572 1.00 15.00 C ATOM 197 O PRO A 12 8.127 -2.528 6.215 1.00 15.00 O ATOM 198 CB PRO A 12 5.800 -4.736 5.508 1.00 15.00 C ATOM 199 CG PRO A 12 4.626 -4.762 4.602 1.00 15.00 C ATOM 200 CD PRO A 12 3.688 -3.744 5.142 1.00 15.00 C ATOM 0 HA PRO A 12 5.949 -3.310 7.150 1.00 15.00 H new ATOM 0 HB2 PRO A 12 6.718 -4.977 4.971 1.00 15.00 H new ATOM 0 HB3 PRO A 12 5.697 -5.469 6.308 1.00 15.00 H new ATOM 0 HG2 PRO A 12 4.915 -4.526 3.578 1.00 15.00 H new ATOM 0 HG3 PRO A 12 4.166 -5.750 4.584 1.00 15.00 H new ATOM 0 HD2 PRO A 12 3.039 -3.338 4.366 1.00 15.00 H new ATOM 0 HD3 PRO A 12 3.040 -4.158 5.915 1.00 15.00 H new ATOM 208 N GLU A 13 6.957 -1.869 4.431 1.00 15.00 N ATOM 209 CA GLU A 13 8.040 -1.052 3.932 1.00 15.00 C ATOM 210 C GLU A 13 8.127 0.368 4.511 1.00 15.00 C ATOM 211 O GLU A 13 9.113 1.049 4.270 1.00 15.00 O ATOM 212 CB GLU A 13 8.200 -1.063 2.408 1.00 15.00 C ATOM 213 CG GLU A 13 8.751 -2.363 1.829 1.00 15.00 C ATOM 214 CD GLU A 13 7.779 -3.512 1.805 1.00 15.00 C ATOM 215 OE1 GLU A 13 7.068 -3.656 0.812 1.00 15.00 O ATOM 216 OE2 GLU A 13 7.760 -4.333 2.755 1.00 15.00 O ATOM 0 H GLU A 13 6.126 -1.888 3.839 1.00 15.00 H new ATOM 0 HA GLU A 13 8.909 -1.572 4.334 1.00 15.00 H new ATOM 0 HB2 GLU A 13 7.230 -0.863 1.954 1.00 15.00 H new ATOM 0 HB3 GLU A 13 8.861 -0.245 2.121 1.00 15.00 H new ATOM 0 HG2 GLU A 13 9.092 -2.174 0.811 1.00 15.00 H new ATOM 0 HG3 GLU A 13 9.626 -2.659 2.408 1.00 15.00 H new ATOM 223 N GLU A 14 7.174 0.827 5.343 1.00 15.00 N ATOM 224 CA GLU A 14 7.256 2.220 5.840 1.00 15.00 C ATOM 225 C GLU A 14 7.615 2.092 7.342 1.00 15.00 C ATOM 226 O GLU A 14 7.500 2.992 8.150 1.00 15.00 O ATOM 227 CB GLU A 14 5.925 2.978 5.577 1.00 15.00 C ATOM 228 CG GLU A 14 5.620 3.131 4.069 1.00 15.00 C ATOM 229 CD GLU A 14 4.326 3.898 3.716 1.00 15.00 C ATOM 230 OE1 GLU A 14 3.637 4.421 4.624 1.00 15.00 O ATOM 231 OE2 GLU A 14 3.989 3.956 2.482 1.00 15.00 O ATOM 0 H GLU A 14 6.374 0.288 5.675 1.00 15.00 H new ATOM 0 HA GLU A 14 8.011 2.814 5.325 1.00 15.00 H new ATOM 0 HB2 GLU A 14 5.105 2.444 6.058 1.00 15.00 H new ATOM 0 HB3 GLU A 14 5.976 3.965 6.036 1.00 15.00 H new ATOM 0 HG2 GLU A 14 6.461 3.640 3.598 1.00 15.00 H new ATOM 0 HG3 GLU A 14 5.562 2.136 3.627 1.00 15.00 H new ATOM 238 N ALA A 15 8.164 0.919 7.589 1.00 15.00 N ATOM 239 CA ALA A 15 8.560 0.352 8.879 1.00 15.00 C ATOM 240 C ALA A 15 10.065 0.397 9.013 1.00 15.00 C ATOM 241 O ALA A 15 10.610 0.088 10.063 1.00 15.00 O ATOM 242 CB ALA A 15 8.098 -1.095 8.949 1.00 15.00 C ATOM 0 H ALA A 15 8.366 0.273 6.826 1.00 15.00 H new ATOM 0 HA ALA A 15 8.106 0.929 9.685 1.00 15.00 H new ATOM 0 HB1 ALA A 15 8.390 -1.524 9.908 1.00 15.00 H new ATOM 0 HB2 ALA A 15 7.013 -1.136 8.848 1.00 15.00 H new ATOM 0 HB3 ALA A 15 8.559 -1.664 8.142 1.00 15.00 H new ATOM 248 N LYS A 16 10.739 0.784 7.948 1.00 15.00 N ATOM 249 CA LYS A 16 12.184 0.953 7.974 1.00 15.00 C ATOM 250 C LYS A 16 12.604 2.013 9.001 1.00 15.00 C ATOM 251 O LYS A 16 13.619 1.863 9.684 1.00 15.00 O ATOM 252 CB LYS A 16 12.711 1.280 6.533 1.00 15.00 C ATOM 253 CG LYS A 16 14.184 1.737 6.430 1.00 15.00 C ATOM 254 CD LYS A 16 14.317 3.241 6.721 1.00 15.00 C ATOM 255 CE LYS A 16 15.751 3.701 6.815 1.00 15.00 C ATOM 256 NZ LYS A 16 15.834 5.173 6.985 1.00 15.00 N ATOM 0 H LYS A 16 10.308 0.989 7.047 1.00 15.00 H new ATOM 0 HA LYS A 16 12.642 0.017 8.293 1.00 15.00 H new ATOM 0 HB2 LYS A 16 12.584 0.393 5.913 1.00 15.00 H new ATOM 0 HB3 LYS A 16 12.080 2.060 6.107 1.00 15.00 H new ATOM 0 HG2 LYS A 16 14.794 1.172 7.135 1.00 15.00 H new ATOM 0 HG3 LYS A 16 14.566 1.521 5.432 1.00 15.00 H new ATOM 0 HD2 LYS A 16 13.812 3.803 5.935 1.00 15.00 H new ATOM 0 HD3 LYS A 16 13.806 3.471 7.656 1.00 15.00 H new ATOM 0 HE2 LYS A 16 16.239 3.207 7.655 1.00 15.00 H new ATOM 0 HE3 LYS A 16 16.290 3.406 5.915 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 16.596 5.403 7.654 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 16.034 5.618 6.067 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 14.930 5.531 7.353 1.00 15.00 H new ATOM 270 N ILE A 17 11.813 3.083 9.083 1.00 15.00 N ATOM 271 CA ILE A 17 12.088 4.275 9.909 1.00 15.00 C ATOM 272 C ILE A 17 12.462 3.986 11.399 1.00 15.00 C ATOM 273 O ILE A 17 13.257 4.704 11.977 1.00 15.00 O ATOM 274 CB ILE A 17 10.843 5.235 9.820 1.00 15.00 C ATOM 275 CG1 ILE A 17 11.086 6.582 10.505 1.00 15.00 C ATOM 276 CG2 ILE A 17 9.586 4.561 10.380 1.00 15.00 C ATOM 277 CD1 ILE A 17 9.955 7.584 10.343 1.00 15.00 C ATOM 0 H ILE A 17 10.937 3.154 8.565 1.00 15.00 H new ATOM 0 HA ILE A 17 12.985 4.740 9.499 1.00 15.00 H new ATOM 0 HB ILE A 17 10.686 5.441 8.761 1.00 15.00 H new ATOM 0 HG12 ILE A 17 11.253 6.410 11.568 1.00 15.00 H new ATOM 0 HG13 ILE A 17 12.001 7.019 10.106 1.00 15.00 H new ATOM 0 HG21 ILE A 17 8.742 5.247 10.306 1.00 15.00 H new ATOM 0 HG22 ILE A 17 9.372 3.658 9.808 1.00 15.00 H new ATOM 0 HG23 ILE A 17 9.749 4.298 11.425 1.00 15.00 H new ATOM 0 HD11 ILE A 17 10.212 8.509 10.859 1.00 15.00 H new ATOM 0 HD12 ILE A 17 9.801 7.790 9.284 1.00 15.00 H new ATOM 0 HD13 ILE A 17 9.040 7.172 10.769 1.00 15.00 H new ATOM 289 N VAL A 18 11.989 2.858 11.927 1.00 15.00 N ATOM 290 CA VAL A 18 12.036 2.549 13.369 1.00 15.00 C ATOM 291 C VAL A 18 13.417 2.740 14.023 1.00 15.00 C ATOM 292 O VAL A 18 13.520 3.391 15.011 1.00 15.00 O ATOM 293 CB VAL A 18 11.567 1.082 13.617 1.00 15.00 C ATOM 294 CG1 VAL A 18 11.613 0.705 15.093 1.00 15.00 C ATOM 295 CG2 VAL A 18 10.172 0.883 13.087 1.00 15.00 C ATOM 0 H VAL A 18 11.557 2.122 11.368 1.00 15.00 H new ATOM 0 HA VAL A 18 11.366 3.270 13.837 1.00 15.00 H new ATOM 0 HB VAL A 18 12.260 0.430 13.085 1.00 15.00 H new ATOM 0 HG11 VAL A 18 11.278 -0.325 15.216 1.00 15.00 H new ATOM 0 HG12 VAL A 18 12.634 0.801 15.461 1.00 15.00 H new ATOM 0 HG13 VAL A 18 10.960 1.369 15.659 1.00 15.00 H new ATOM 0 HG21 VAL A 18 9.858 -0.145 13.267 1.00 15.00 H new ATOM 0 HG22 VAL A 18 9.489 1.565 13.594 1.00 15.00 H new ATOM 0 HG23 VAL A 18 10.157 1.085 12.016 1.00 15.00 H new ATOM 305 N GLN A 19 14.452 2.205 13.459 1.00 15.00 N ATOM 306 CA GLN A 19 15.767 2.302 14.108 1.00 15.00 C ATOM 307 C GLN A 19 16.344 3.748 14.220 1.00 15.00 C ATOM 308 O GLN A 19 17.013 4.066 15.204 1.00 15.00 O ATOM 309 CB GLN A 19 16.781 1.298 13.557 1.00 15.00 C ATOM 310 CG GLN A 19 18.084 1.254 14.352 1.00 15.00 C ATOM 311 CD GLN A 19 17.897 0.813 15.803 1.00 15.00 C ATOM 312 OE1 GLN A 19 18.644 1.226 16.687 1.00 15.00 O ATOM 313 NE2 GLN A 19 16.934 -0.033 16.056 1.00 15.00 N ATOM 0 H GLN A 19 14.439 1.703 12.571 1.00 15.00 H new ATOM 0 HA GLN A 19 15.572 2.013 15.141 1.00 15.00 H new ATOM 0 HB2 GLN A 19 16.332 0.305 13.553 1.00 15.00 H new ATOM 0 HB3 GLN A 19 17.005 1.550 12.521 1.00 15.00 H new ATOM 0 HG2 GLN A 19 18.778 0.573 13.860 1.00 15.00 H new ATOM 0 HG3 GLN A 19 18.543 2.242 14.337 1.00 15.00 H new ATOM 0 HE21 GLN A 19 16.330 -0.358 15.301 1.00 15.00 H new ATOM 0 HE22 GLN A 19 16.787 -0.368 17.008 1.00 15.00 H new ATOM 322 N TYR A 20 16.045 4.592 13.269 1.00 15.00 N ATOM 323 CA TYR A 20 16.682 5.919 13.205 1.00 15.00 C ATOM 324 C TYR A 20 16.219 6.881 14.336 1.00 15.00 C ATOM 325 O TYR A 20 16.980 7.159 15.278 1.00 15.00 O ATOM 326 CB TYR A 20 16.445 6.531 11.835 1.00 15.00 C ATOM 327 CG TYR A 20 17.208 7.800 11.574 1.00 15.00 C ATOM 328 CD1 TYR A 20 18.508 7.753 11.109 1.00 15.00 C ATOM 329 CD2 TYR A 20 16.625 9.041 11.763 1.00 15.00 C ATOM 330 CE1 TYR A 20 19.198 8.902 10.836 1.00 15.00 C ATOM 331 CE2 TYR A 20 17.310 10.194 11.502 1.00 15.00 C ATOM 332 CZ TYR A 20 18.593 10.118 11.036 1.00 15.00 C ATOM 333 OH TYR A 20 19.267 11.255 10.740 1.00 15.00 O ATOM 0 H TYR A 20 15.373 4.405 12.525 1.00 15.00 H new ATOM 0 HA TYR A 20 17.751 5.773 13.363 1.00 15.00 H new ATOM 0 HB2 TYR A 20 16.713 5.799 11.073 1.00 15.00 H new ATOM 0 HB3 TYR A 20 15.380 6.733 11.722 1.00 15.00 H new ATOM 0 HD1 TYR A 20 18.986 6.796 10.959 1.00 15.00 H new ATOM 0 HD2 TYR A 20 15.609 9.099 12.124 1.00 15.00 H new ATOM 0 HE1 TYR A 20 20.211 8.853 10.466 1.00 15.00 H new ATOM 0 HE2 TYR A 20 16.843 11.155 11.662 1.00 15.00 H new ATOM 0 HH TYR A 20 19.087 11.930 11.427 1.00 15.00 H new ATOM 343 N GLU A 21 14.983 7.353 14.253 1.00 15.00 N ATOM 344 CA GLU A 21 14.355 8.256 15.235 1.00 15.00 C ATOM 345 C GLU A 21 14.256 7.603 16.618 1.00 15.00 C ATOM 346 O GLU A 21 14.356 8.266 17.654 1.00 15.00 O ATOM 347 CB GLU A 21 12.960 8.690 14.728 1.00 15.00 C ATOM 348 CG GLU A 21 12.939 9.581 13.457 1.00 15.00 C ATOM 349 CD GLU A 21 13.312 8.866 12.150 1.00 15.00 C ATOM 350 OE1 GLU A 21 13.421 7.621 12.142 1.00 15.00 O ATOM 351 OE2 GLU A 21 13.500 9.547 11.121 1.00 15.00 O ATOM 0 H GLU A 21 14.362 7.116 13.480 1.00 15.00 H new ATOM 0 HA GLU A 21 14.985 9.139 15.342 1.00 15.00 H new ATOM 0 HB2 GLU A 21 12.374 7.793 14.527 1.00 15.00 H new ATOM 0 HB3 GLU A 21 12.455 9.227 15.531 1.00 15.00 H new ATOM 0 HG2 GLU A 21 11.941 10.006 13.348 1.00 15.00 H new ATOM 0 HG3 GLU A 21 13.626 10.414 13.605 1.00 15.00 H new ATOM 358 N LEU A 22 14.119 6.338 16.612 1.00 15.00 N ATOM 359 CA LEU A 22 14.081 5.572 17.836 1.00 15.00 C ATOM 360 C LEU A 22 15.439 5.458 18.449 1.00 15.00 C ATOM 361 O LEU A 22 15.519 5.473 19.656 1.00 15.00 O ATOM 362 CB LEU A 22 13.344 4.233 17.773 1.00 15.00 C ATOM 363 CG LEU A 22 11.800 4.302 17.746 1.00 15.00 C ATOM 364 CD1 LEU A 22 11.249 4.928 16.471 1.00 15.00 C ATOM 365 CD2 LEU A 22 11.207 2.932 17.984 1.00 15.00 C ATOM 0 H LEU A 22 14.028 5.780 15.763 1.00 15.00 H new ATOM 0 HA LEU A 22 13.449 6.159 18.503 1.00 15.00 H new ATOM 0 HB2 LEU A 22 13.678 3.700 16.883 1.00 15.00 H new ATOM 0 HB3 LEU A 22 13.645 3.636 18.634 1.00 15.00 H new ATOM 0 HG LEU A 22 11.500 4.964 18.558 1.00 15.00 H new ATOM 0 HD11 LEU A 22 10.160 4.946 16.516 1.00 15.00 H new ATOM 0 HD12 LEU A 22 11.625 5.946 16.374 1.00 15.00 H new ATOM 0 HD13 LEU A 22 11.567 4.340 15.610 1.00 15.00 H new ATOM 0 HD21 LEU A 22 10.119 2.998 17.962 1.00 15.00 H new ATOM 0 HD22 LEU A 22 11.545 2.249 17.205 1.00 15.00 H new ATOM 0 HD23 LEU A 22 11.528 2.560 18.957 1.00 15.00 H new ATOM 377 N SER A 23 16.524 5.308 17.703 1.00 15.00 N ATOM 378 CA SER A 23 17.819 5.465 18.385 1.00 15.00 C ATOM 379 C SER A 23 17.968 6.876 19.063 1.00 15.00 C ATOM 380 O SER A 23 18.524 6.991 20.142 1.00 15.00 O ATOM 381 CB SER A 23 18.986 5.162 17.427 1.00 15.00 C ATOM 382 OG SER A 23 20.244 5.132 18.098 1.00 15.00 O ATOM 0 H SER A 23 16.551 5.095 16.706 1.00 15.00 H new ATOM 0 HA SER A 23 17.853 4.733 19.192 1.00 15.00 H new ATOM 0 HB2 SER A 23 18.814 4.202 16.940 1.00 15.00 H new ATOM 0 HB3 SER A 23 19.014 5.917 16.642 1.00 15.00 H new ATOM 0 HG SER A 23 20.954 4.935 17.452 1.00 15.00 H new ATOM 388 N THR A 24 17.431 7.921 18.432 1.00 15.00 N ATOM 389 CA THR A 24 17.566 9.292 18.950 1.00 15.00 C ATOM 390 C THR A 24 16.601 9.637 20.118 1.00 15.00 C ATOM 391 O THR A 24 16.895 10.525 20.883 1.00 15.00 O ATOM 392 CB THR A 24 17.444 10.332 17.811 1.00 15.00 C ATOM 393 OG1 THR A 24 16.203 10.167 17.110 1.00 15.00 O ATOM 394 CG2 THR A 24 18.599 10.189 16.828 1.00 15.00 C ATOM 0 H THR A 24 16.900 7.850 17.564 1.00 15.00 H new ATOM 0 HA THR A 24 18.568 9.339 19.376 1.00 15.00 H new ATOM 0 HB THR A 24 17.475 11.325 18.259 1.00 15.00 H new ATOM 0 HG1 THR A 24 15.668 9.474 17.551 1.00 15.00 H new ATOM 0 HG21 THR A 24 18.495 10.929 16.034 1.00 15.00 H new ATOM 0 HG22 THR A 24 19.543 10.347 17.350 1.00 15.00 H new ATOM 0 HG23 THR A 24 18.587 9.189 16.395 1.00 15.00 H new ATOM 402 N ARG A 25 15.598 8.757 20.306 1.00 15.00 N ATOM 403 CA ARG A 25 14.344 8.890 21.190 1.00 15.00 C ATOM 404 C ARG A 25 13.851 10.306 21.636 1.00 15.00 C ATOM 405 O ARG A 25 12.640 10.554 21.612 1.00 15.00 O ATOM 406 CB ARG A 25 14.353 7.985 22.419 1.00 15.00 C ATOM 407 CG ARG A 25 14.309 6.517 22.119 1.00 15.00 C ATOM 408 CD ARG A 25 14.133 5.698 23.374 1.00 15.00 C ATOM 409 NE ARG A 25 12.801 5.896 23.978 1.00 15.00 N ATOM 410 CZ ARG A 25 12.329 5.207 25.024 1.00 15.00 C ATOM 411 NH1 ARG A 25 13.082 4.293 25.625 1.00 15.00 N ATOM 412 NH2 ARG A 25 11.105 5.436 25.464 1.00 15.00 N ATOM 0 H ARG A 25 15.610 7.858 19.825 1.00 15.00 H new ATOM 0 HA ARG A 25 13.617 8.565 20.446 1.00 15.00 H new ATOM 0 HB2 ARG A 25 15.250 8.196 23.001 1.00 15.00 H new ATOM 0 HB3 ARG A 25 13.499 8.239 23.046 1.00 15.00 H new ATOM 0 HG2 ARG A 25 13.489 6.310 21.431 1.00 15.00 H new ATOM 0 HG3 ARG A 25 15.229 6.220 21.616 1.00 15.00 H new ATOM 0 HD2 ARG A 25 14.273 4.642 23.141 1.00 15.00 H new ATOM 0 HD3 ARG A 25 14.903 5.970 24.096 1.00 15.00 H new ATOM 0 HE ARG A 25 12.197 6.609 23.569 1.00 15.00 H new ATOM 0 HH11 ARG A 25 14.028 4.111 25.290 1.00 15.00 H new ATOM 0 HH12 ARG A 25 12.714 3.773 26.421 1.00 15.00 H new ATOM 0 HH21 ARG A 25 10.521 6.137 25.007 1.00 15.00 H new ATOM 0 HH22 ARG A 25 10.743 4.912 26.261 1.00 15.00 H new ATOM 426 N ASP A 26 14.756 11.173 22.070 1.00 15.00 N ATOM 427 CA ASP A 26 14.410 12.480 22.644 1.00 15.00 C ATOM 428 C ASP A 26 13.744 13.369 21.626 1.00 15.00 C ATOM 429 O ASP A 26 12.627 13.868 21.856 1.00 15.00 O ATOM 430 CB ASP A 26 15.638 13.203 23.242 1.00 15.00 C ATOM 431 CG ASP A 26 16.227 12.535 24.461 1.00 15.00 C ATOM 432 OD1 ASP A 26 15.674 12.711 25.571 1.00 15.00 O ATOM 433 OD2 ASP A 26 17.270 11.865 24.361 1.00 15.00 O ATOM 0 H ASP A 26 15.760 10.994 22.036 1.00 15.00 H new ATOM 0 HA ASP A 26 13.709 12.280 23.454 1.00 15.00 H new ATOM 0 HB2 ASP A 26 16.409 13.276 22.475 1.00 15.00 H new ATOM 0 HB3 ASP A 26 15.352 14.221 23.504 1.00 15.00 H new ATOM 438 N GLU A 27 14.461 13.643 20.555 1.00 15.00 N ATOM 439 CA GLU A 27 13.945 14.330 19.370 1.00 15.00 C ATOM 440 C GLU A 27 12.649 13.805 18.790 1.00 15.00 C ATOM 441 O GLU A 27 12.114 12.799 19.206 1.00 15.00 O ATOM 442 CB GLU A 27 14.999 14.377 18.263 1.00 15.00 C ATOM 443 CG GLU A 27 16.129 15.358 18.487 1.00 15.00 C ATOM 444 CD GLU A 27 16.976 15.086 19.686 1.00 15.00 C ATOM 445 OE1 GLU A 27 17.337 13.926 19.930 1.00 15.00 O ATOM 446 OE2 GLU A 27 17.292 16.046 20.402 1.00 15.00 O ATOM 0 H GLU A 27 15.446 13.391 20.475 1.00 15.00 H new ATOM 0 HA GLU A 27 13.710 15.325 19.747 1.00 15.00 H new ATOM 0 HB2 GLU A 27 15.423 13.380 18.146 1.00 15.00 H new ATOM 0 HB3 GLU A 27 14.505 14.626 17.324 1.00 15.00 H new ATOM 0 HG2 GLU A 27 16.767 15.361 17.604 1.00 15.00 H new ATOM 0 HG3 GLU A 27 15.708 16.359 18.579 1.00 15.00 H new ATOM 453 N PHE A 28 12.086 14.665 17.957 1.00 15.00 N ATOM 454 CA PHE A 28 10.936 14.410 17.083 1.00 15.00 C ATOM 455 C PHE A 28 9.613 14.787 17.696 1.00 15.00 C ATOM 456 O PHE A 28 9.113 15.888 17.416 1.00 15.00 O ATOM 457 CB PHE A 28 10.908 13.064 16.198 1.00 15.00 C ATOM 458 CG PHE A 28 10.653 11.705 16.852 1.00 15.00 C ATOM 459 CD1 PHE A 28 9.356 11.256 17.055 1.00 15.00 C ATOM 460 CD2 PHE A 28 11.699 10.865 17.206 1.00 15.00 C ATOM 461 CE1 PHE A 28 9.111 10.016 17.604 1.00 15.00 C ATOM 462 CE2 PHE A 28 11.455 9.626 17.763 1.00 15.00 C ATOM 463 CZ PHE A 28 10.164 9.203 17.961 1.00 15.00 C ATOM 0 H PHE A 28 12.435 15.619 17.862 1.00 15.00 H new ATOM 0 HA PHE A 28 11.132 15.130 16.289 1.00 15.00 H new ATOM 0 HB2 PHE A 28 10.145 13.200 15.432 1.00 15.00 H new ATOM 0 HB3 PHE A 28 11.867 12.998 15.684 1.00 15.00 H new ATOM 0 HD1 PHE A 28 8.525 11.888 16.778 1.00 15.00 H new ATOM 0 HD2 PHE A 28 12.718 11.185 17.044 1.00 15.00 H new ATOM 0 HE1 PHE A 28 8.095 9.682 17.754 1.00 15.00 H new ATOM 0 HE2 PHE A 28 12.281 8.989 18.043 1.00 15.00 H new ATOM 0 HZ PHE A 28 9.974 8.233 18.397 1.00 15.00 H new ATOM 473 N TYR A 29 9.103 13.947 18.590 1.00 15.00 N ATOM 474 CA TYR A 29 7.770 14.089 19.205 1.00 15.00 C ATOM 475 C TYR A 29 6.630 14.222 18.163 1.00 15.00 C ATOM 476 O TYR A 29 5.871 13.290 17.980 1.00 15.00 O ATOM 477 CB TYR A 29 7.722 15.217 20.263 1.00 15.00 C ATOM 478 CG TYR A 29 6.355 15.393 20.896 1.00 15.00 C ATOM 479 CD1 TYR A 29 5.916 14.542 21.893 1.00 15.00 C ATOM 480 CD2 TYR A 29 5.502 16.409 20.480 1.00 15.00 C ATOM 481 CE1 TYR A 29 4.666 14.692 22.455 1.00 15.00 C ATOM 482 CE2 TYR A 29 4.259 16.567 21.037 1.00 15.00 C ATOM 483 CZ TYR A 29 3.843 15.706 22.024 1.00 15.00 C ATOM 484 OH TYR A 29 2.589 15.859 22.577 1.00 15.00 O ATOM 0 H TYR A 29 9.610 13.126 18.921 1.00 15.00 H new ATOM 0 HA TYR A 29 7.591 13.153 19.733 1.00 15.00 H new ATOM 0 HB2 TYR A 29 8.451 15.003 21.045 1.00 15.00 H new ATOM 0 HB3 TYR A 29 8.021 16.155 19.796 1.00 15.00 H new ATOM 0 HD1 TYR A 29 6.562 13.748 22.237 1.00 15.00 H new ATOM 0 HD2 TYR A 29 5.825 17.087 19.703 1.00 15.00 H new ATOM 0 HE1 TYR A 29 4.335 14.017 23.230 1.00 15.00 H new ATOM 0 HE2 TYR A 29 3.611 17.363 20.702 1.00 15.00 H new ATOM 0 HH TYR A 29 2.139 16.623 22.161 1.00 15.00 H new ATOM 494 N ARG A 30 6.467 15.422 17.600 1.00 15.00 N ATOM 495 CA ARG A 30 5.511 15.697 16.518 1.00 15.00 C ATOM 496 C ARG A 30 5.631 14.636 15.405 1.00 15.00 C ATOM 497 O ARG A 30 6.678 14.501 14.784 1.00 15.00 O ATOM 498 CB ARG A 30 5.819 17.089 15.930 1.00 15.00 C ATOM 499 CG ARG A 30 4.843 17.609 14.859 1.00 15.00 C ATOM 500 CD ARG A 30 3.488 18.034 15.435 1.00 15.00 C ATOM 501 NE ARG A 30 2.663 16.913 15.929 1.00 15.00 N ATOM 502 CZ ARG A 30 2.140 16.844 17.167 1.00 15.00 C ATOM 503 NH1 ARG A 30 2.498 17.732 18.098 1.00 15.00 N ATOM 504 NH2 ARG A 30 1.281 15.885 17.480 1.00 15.00 N ATOM 0 H ARG A 30 7.001 16.243 17.885 1.00 15.00 H new ATOM 0 HA ARG A 30 4.498 15.667 16.918 1.00 15.00 H new ATOM 0 HB2 ARG A 30 5.843 17.808 16.749 1.00 15.00 H new ATOM 0 HB3 ARG A 30 6.819 17.064 15.498 1.00 15.00 H new ATOM 0 HG2 ARG A 30 5.295 18.458 14.346 1.00 15.00 H new ATOM 0 HG3 ARG A 30 4.685 16.831 14.112 1.00 15.00 H new ATOM 0 HD2 ARG A 30 3.657 18.734 16.253 1.00 15.00 H new ATOM 0 HD3 ARG A 30 2.931 18.570 14.666 1.00 15.00 H new ATOM 0 HE ARG A 30 2.477 16.140 15.290 1.00 15.00 H new ATOM 0 HH11 ARG A 30 3.170 18.465 17.872 1.00 15.00 H new ATOM 0 HH12 ARG A 30 2.100 17.677 19.035 1.00 15.00 H new ATOM 0 HH21 ARG A 30 1.012 15.193 16.781 1.00 15.00 H new ATOM 0 HH22 ARG A 30 0.889 15.839 18.420 1.00 15.00 H new ATOM 518 N VAL A 31 4.568 13.887 15.209 1.00 15.00 N ATOM 519 CA VAL A 31 4.485 12.816 14.218 1.00 15.00 C ATOM 520 C VAL A 31 3.219 13.034 13.380 1.00 15.00 C ATOM 521 O VAL A 31 2.265 13.675 13.855 1.00 15.00 O ATOM 522 CB VAL A 31 4.446 11.375 14.901 1.00 15.00 C ATOM 523 CG1 VAL A 31 4.394 10.245 13.874 1.00 15.00 C ATOM 524 CG2 VAL A 31 5.650 11.157 15.798 1.00 15.00 C ATOM 0 H VAL A 31 3.709 14.003 15.746 1.00 15.00 H new ATOM 0 HA VAL A 31 5.375 12.848 13.590 1.00 15.00 H new ATOM 0 HB VAL A 31 3.532 11.352 15.495 1.00 15.00 H new ATOM 0 HG11 VAL A 31 4.369 9.285 14.390 1.00 15.00 H new ATOM 0 HG12 VAL A 31 3.499 10.351 13.261 1.00 15.00 H new ATOM 0 HG13 VAL A 31 5.277 10.291 13.237 1.00 15.00 H new ATOM 0 HG21 VAL A 31 5.594 10.166 16.248 1.00 15.00 H new ATOM 0 HG22 VAL A 31 6.563 11.236 15.207 1.00 15.00 H new ATOM 0 HG23 VAL A 31 5.660 11.912 16.584 1.00 15.00 H new ATOM 534 N PHE A 32 3.230 12.490 12.175 1.00 15.00 N ATOM 535 CA PHE A 32 2.175 12.540 11.161 1.00 15.00 C ATOM 536 C PHE A 32 2.446 11.304 10.333 1.00 15.00 C ATOM 537 O PHE A 32 3.595 10.888 10.212 1.00 15.00 O ATOM 538 CB PHE A 32 2.101 13.815 10.294 1.00 15.00 C ATOM 539 CG PHE A 32 1.643 15.061 11.008 1.00 15.00 C ATOM 540 CD1 PHE A 32 0.292 15.321 11.164 1.00 15.00 C ATOM 541 CD2 PHE A 32 2.550 15.968 11.510 1.00 15.00 C ATOM 542 CE1 PHE A 32 -0.138 16.462 11.811 1.00 15.00 C ATOM 543 CE2 PHE A 32 2.127 17.111 12.157 1.00 15.00 C ATOM 544 CZ PHE A 32 0.781 17.358 12.309 1.00 15.00 C ATOM 0 H PHE A 32 4.037 11.959 11.849 1.00 15.00 H new ATOM 0 HA PHE A 32 1.196 12.569 11.640 1.00 15.00 H new ATOM 0 HB2 PHE A 32 3.087 14.002 9.870 1.00 15.00 H new ATOM 0 HB3 PHE A 32 1.426 13.627 9.459 1.00 15.00 H new ATOM 0 HD1 PHE A 32 -0.434 14.623 10.775 1.00 15.00 H new ATOM 0 HD2 PHE A 32 3.608 15.782 11.396 1.00 15.00 H new ATOM 0 HE1 PHE A 32 -1.195 16.652 11.927 1.00 15.00 H new ATOM 0 HE2 PHE A 32 2.852 17.812 12.544 1.00 15.00 H new ATOM 0 HZ PHE A 32 0.448 18.251 12.817 1.00 15.00 H new ATOM 554 N ILE A 33 1.397 10.675 9.863 1.00 15.00 N ATOM 555 CA ILE A 33 1.486 9.383 9.202 1.00 15.00 C ATOM 556 C ILE A 33 0.561 9.317 7.988 1.00 15.00 C ATOM 557 O ILE A 33 -0.039 10.317 7.612 1.00 15.00 O ATOM 558 CB ILE A 33 1.171 8.153 10.164 1.00 15.00 C ATOM 559 CG1 ILE A 33 -0.263 8.197 10.786 1.00 15.00 C ATOM 560 CG2 ILE A 33 2.237 7.990 11.246 1.00 15.00 C ATOM 561 CD1 ILE A 33 -0.498 9.257 11.850 1.00 15.00 C ATOM 0 H ILE A 33 0.448 11.042 9.926 1.00 15.00 H new ATOM 0 HA ILE A 33 2.525 9.295 8.885 1.00 15.00 H new ATOM 0 HB ILE A 33 1.198 7.270 9.525 1.00 15.00 H new ATOM 0 HG12 ILE A 33 -0.981 8.353 9.981 1.00 15.00 H new ATOM 0 HG13 ILE A 33 -0.479 7.221 11.221 1.00 15.00 H new ATOM 0 HG21 ILE A 33 1.985 7.140 11.880 1.00 15.00 H new ATOM 0 HG22 ILE A 33 3.207 7.818 10.779 1.00 15.00 H new ATOM 0 HG23 ILE A 33 2.282 8.895 11.852 1.00 15.00 H new ATOM 0 HD11 ILE A 33 -1.526 9.192 12.208 1.00 15.00 H new ATOM 0 HD12 ILE A 33 0.187 9.095 12.682 1.00 15.00 H new ATOM 0 HD13 ILE A 33 -0.324 10.245 11.424 1.00 15.00 H new ATOM 573 N ASN A 34 0.487 8.109 7.421 1.00 15.00 N ATOM 574 CA ASN A 34 -0.384 7.686 6.282 1.00 15.00 C ATOM 575 C ASN A 34 0.141 6.346 5.758 1.00 15.00 C ATOM 576 O ASN A 34 0.551 6.261 4.599 1.00 15.00 O ATOM 577 CB ASN A 34 -0.498 8.710 5.114 1.00 15.00 C ATOM 578 CG ASN A 34 -1.830 9.466 5.048 1.00 15.00 C ATOM 579 OD1 ASN A 34 -2.795 9.014 4.430 1.00 15.00 O ATOM 580 ND2 ASN A 34 -1.895 10.610 5.663 1.00 15.00 N ATOM 0 H ASN A 34 1.066 7.338 7.756 1.00 15.00 H new ATOM 0 HA ASN A 34 -1.398 7.608 6.675 1.00 15.00 H new ATOM 0 HB2 ASN A 34 0.311 9.435 5.205 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -0.349 8.183 4.172 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -2.758 11.153 5.640 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -1.083 10.964 6.168 1.00 15.00 H new ATOM 587 N PRO A 35 0.140 5.278 6.599 1.00 15.00 N ATOM 588 CA PRO A 35 0.820 4.004 6.267 1.00 15.00 C ATOM 589 C PRO A 35 0.230 3.275 5.059 1.00 15.00 C ATOM 590 O PRO A 35 -0.831 2.694 5.160 1.00 15.00 O ATOM 591 CB PRO A 35 0.655 3.150 7.540 1.00 15.00 C ATOM 592 CG PRO A 35 0.224 4.110 8.601 1.00 15.00 C ATOM 593 CD PRO A 35 -0.550 5.184 7.897 1.00 15.00 C ATOM 0 HA PRO A 35 1.856 4.190 5.984 1.00 15.00 H new ATOM 0 HB2 PRO A 35 -0.087 2.365 7.394 1.00 15.00 H new ATOM 0 HB3 PRO A 35 1.590 2.659 7.809 1.00 15.00 H new ATOM 0 HG2 PRO A 35 -0.392 3.613 9.350 1.00 15.00 H new ATOM 0 HG3 PRO A 35 1.085 4.528 9.122 1.00 15.00 H new ATOM 0 HD2 PRO A 35 -1.600 4.916 7.780 1.00 15.00 H new ATOM 0 HD3 PRO A 35 -0.521 6.128 8.441 1.00 15.00 H new ATOM 601 N TYR A 36 0.880 3.482 3.916 1.00 15.00 N ATOM 602 CA TYR A 36 0.674 2.820 2.582 1.00 15.00 C ATOM 603 C TYR A 36 -0.267 3.640 1.749 1.00 15.00 C ATOM 604 O TYR A 36 -0.465 3.378 0.556 1.00 15.00 O ATOM 605 CB TYR A 36 0.243 1.293 2.585 1.00 15.00 C ATOM 606 CG TYR A 36 -1.261 0.932 2.462 1.00 15.00 C ATOM 607 CD1 TYR A 36 -1.833 0.723 1.208 1.00 15.00 C ATOM 608 CD2 TYR A 36 -2.078 0.769 3.564 1.00 15.00 C ATOM 609 CE1 TYR A 36 -3.160 0.375 1.074 1.00 15.00 C ATOM 610 CE2 TYR A 36 -3.407 0.425 3.432 1.00 15.00 C ATOM 611 CZ TYR A 36 -3.939 0.230 2.189 1.00 15.00 C ATOM 612 OH TYR A 36 -5.269 -0.122 2.061 1.00 15.00 O ATOM 0 H TYR A 36 1.632 4.170 3.870 1.00 15.00 H new ATOM 0 HA TYR A 36 1.672 2.788 2.144 1.00 15.00 H new ATOM 0 HB2 TYR A 36 0.767 0.802 1.764 1.00 15.00 H new ATOM 0 HB3 TYR A 36 0.613 0.849 3.509 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -1.224 0.836 0.323 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -1.666 0.914 4.552 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -3.583 0.217 0.093 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -4.026 0.310 4.310 1.00 15.00 H new ATOM 0 HH TYR A 36 -5.678 -0.184 2.949 1.00 15.00 H new ATOM 622 N ALA A 37 -0.751 4.699 2.349 1.00 15.00 N ATOM 623 CA ALA A 37 -1.770 5.540 1.775 1.00 15.00 C ATOM 624 C ALA A 37 -1.270 6.421 0.625 1.00 15.00 C ATOM 625 O ALA A 37 -2.011 7.274 0.130 1.00 15.00 O ATOM 626 CB ALA A 37 -2.438 6.350 2.850 1.00 15.00 C ATOM 0 H ALA A 37 -0.440 5.007 3.271 1.00 15.00 H new ATOM 0 HA ALA A 37 -2.506 4.877 1.321 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -3.206 6.982 2.405 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -2.896 5.681 3.578 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -1.697 6.976 3.348 1.00 15.00 H new ATOM 632 N LYS A 38 -0.003 6.233 0.213 1.00 15.00 N ATOM 633 CA LYS A 38 0.586 6.858 -0.973 1.00 15.00 C ATOM 634 C LYS A 38 0.724 8.386 -0.904 1.00 15.00 C ATOM 635 O LYS A 38 0.935 9.006 -1.939 1.00 15.00 O ATOM 636 CB LYS A 38 -0.214 6.474 -2.248 1.00 15.00 C ATOM 637 CG LYS A 38 -0.408 4.971 -2.486 1.00 15.00 C ATOM 638 CD LYS A 38 0.903 4.228 -2.685 1.00 15.00 C ATOM 639 CE LYS A 38 0.658 2.761 -3.038 1.00 15.00 C ATOM 640 NZ LYS A 38 -0.008 2.003 -1.945 1.00 15.00 N ATOM 0 H LYS A 38 0.650 5.628 0.711 1.00 15.00 H new ATOM 0 HA LYS A 38 1.601 6.464 -1.015 1.00 15.00 H new ATOM 0 HB2 LYS A 38 -1.196 6.944 -2.193 1.00 15.00 H new ATOM 0 HB3 LYS A 38 0.294 6.897 -3.114 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.939 4.540 -1.637 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -1.038 4.826 -3.363 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.478 4.705 -3.479 1.00 15.00 H new ATOM 0 HD3 LYS A 38 1.502 4.291 -1.776 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.043 2.707 -3.937 1.00 15.00 H new ATOM 0 HE3 LYS A 38 1.610 2.286 -3.274 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.670 1.340 -1.519 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -0.346 2.666 -1.219 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -0.814 1.472 -2.332 1.00 15.00 H new ATOM 654 N VAL A 39 0.747 8.986 0.290 1.00 15.00 N ATOM 655 CA VAL A 39 0.738 10.497 0.363 1.00 15.00 C ATOM 656 C VAL A 39 1.283 11.076 1.684 1.00 15.00 C ATOM 657 O VAL A 39 1.037 12.241 1.978 1.00 15.00 O ATOM 658 CB VAL A 39 -0.730 11.099 0.215 1.00 15.00 C ATOM 659 CG1 VAL A 39 -1.327 10.930 -1.180 1.00 15.00 C ATOM 660 CG2 VAL A 39 -1.671 10.519 1.270 1.00 15.00 C ATOM 0 H VAL A 39 0.771 8.504 1.188 1.00 15.00 H new ATOM 0 HA VAL A 39 1.388 10.781 -0.465 1.00 15.00 H new ATOM 0 HB VAL A 39 -0.624 12.172 0.376 1.00 15.00 H new ATOM 0 HG11 VAL A 39 -2.327 11.364 -1.203 1.00 15.00 H new ATOM 0 HG12 VAL A 39 -0.695 11.436 -1.910 1.00 15.00 H new ATOM 0 HG13 VAL A 39 -1.386 9.869 -1.424 1.00 15.00 H new ATOM 0 HG21 VAL A 39 -2.666 10.947 1.145 1.00 15.00 H new ATOM 0 HG22 VAL A 39 -1.725 9.437 1.154 1.00 15.00 H new ATOM 0 HG23 VAL A 39 -1.295 10.759 2.264 1.00 15.00 H new ATOM 670 N ALA A 40 2.041 10.328 2.447 1.00 15.00 N ATOM 671 CA ALA A 40 2.393 10.734 3.805 1.00 15.00 C ATOM 672 C ALA A 40 3.466 11.790 3.916 1.00 15.00 C ATOM 673 O ALA A 40 4.645 11.496 3.789 1.00 15.00 O ATOM 674 CB ALA A 40 2.883 9.489 4.549 1.00 15.00 C ATOM 0 H ALA A 40 2.432 9.431 2.159 1.00 15.00 H new ATOM 0 HA ALA A 40 1.493 11.180 4.227 1.00 15.00 H new ATOM 0 HB1 ALA A 40 3.155 9.758 5.570 1.00 15.00 H new ATOM 0 HB2 ALA A 40 2.090 8.742 4.570 1.00 15.00 H new ATOM 0 HB3 ALA A 40 3.754 9.079 4.038 1.00 15.00 H new ATOM 680 N GLU A 41 3.066 13.049 4.030 1.00 15.00 N ATOM 681 CA GLU A 41 3.979 14.055 4.526 1.00 15.00 C ATOM 682 C GLU A 41 4.131 13.914 6.049 1.00 15.00 C ATOM 683 O GLU A 41 3.176 13.529 6.745 1.00 15.00 O ATOM 684 CB GLU A 41 3.441 15.450 4.177 1.00 15.00 C ATOM 685 CG GLU A 41 2.063 15.746 4.774 1.00 15.00 C ATOM 686 CD GLU A 41 1.508 17.092 4.389 1.00 15.00 C ATOM 687 OE1 GLU A 41 0.834 17.191 3.357 1.00 15.00 O ATOM 688 OE2 GLU A 41 1.693 18.074 5.149 1.00 15.00 O ATOM 0 H GLU A 41 2.134 13.388 3.790 1.00 15.00 H new ATOM 0 HA GLU A 41 4.956 13.921 4.061 1.00 15.00 H new ATOM 0 HB2 GLU A 41 4.148 16.201 4.529 1.00 15.00 H new ATOM 0 HB3 GLU A 41 3.386 15.547 3.093 1.00 15.00 H new ATOM 0 HG2 GLU A 41 1.366 14.971 4.455 1.00 15.00 H new ATOM 0 HG3 GLU A 41 2.128 15.688 5.860 1.00 15.00 H new ATOM 695 N VAL A 42 5.294 14.197 6.557 1.00 15.00 N ATOM 696 CA VAL A 42 5.533 14.128 7.983 1.00 15.00 C ATOM 697 C VAL A 42 6.179 15.415 8.460 1.00 15.00 C ATOM 698 O VAL A 42 7.342 15.709 8.168 1.00 15.00 O ATOM 699 CB VAL A 42 6.439 12.921 8.385 1.00 15.00 C ATOM 700 CG1 VAL A 42 6.622 12.852 9.902 1.00 15.00 C ATOM 701 CG2 VAL A 42 5.878 11.605 7.863 1.00 15.00 C ATOM 0 H VAL A 42 6.104 14.481 6.006 1.00 15.00 H new ATOM 0 HA VAL A 42 4.563 13.986 8.460 1.00 15.00 H new ATOM 0 HB VAL A 42 7.414 13.081 7.924 1.00 15.00 H new ATOM 0 HG11 VAL A 42 7.257 12.002 10.154 1.00 15.00 H new ATOM 0 HG12 VAL A 42 7.090 13.771 10.254 1.00 15.00 H new ATOM 0 HG13 VAL A 42 5.650 12.733 10.381 1.00 15.00 H new ATOM 0 HG21 VAL A 42 6.533 10.786 8.161 1.00 15.00 H new ATOM 0 HG22 VAL A 42 4.883 11.443 8.278 1.00 15.00 H new ATOM 0 HG23 VAL A 42 5.815 11.642 6.775 1.00 15.00 H new ATOM 711 N VAL A 43 5.358 16.221 9.109 1.00 15.00 N ATOM 712 CA VAL A 43 5.840 17.345 9.834 1.00 15.00 C ATOM 713 C VAL A 43 6.294 16.885 11.207 1.00 15.00 C ATOM 714 O VAL A 43 5.539 16.287 11.969 1.00 15.00 O ATOM 715 CB VAL A 43 4.769 18.458 9.961 1.00 15.00 C ATOM 716 CG1 VAL A 43 5.273 19.619 10.805 1.00 15.00 C ATOM 717 CG2 VAL A 43 4.348 18.950 8.586 1.00 15.00 C ATOM 0 H VAL A 43 4.345 16.102 9.138 1.00 15.00 H new ATOM 0 HA VAL A 43 6.679 17.776 9.287 1.00 15.00 H new ATOM 0 HB VAL A 43 3.902 18.029 10.463 1.00 15.00 H new ATOM 0 HG11 VAL A 43 4.498 20.382 10.874 1.00 15.00 H new ATOM 0 HG12 VAL A 43 5.521 19.262 11.805 1.00 15.00 H new ATOM 0 HG13 VAL A 43 6.162 20.046 10.342 1.00 15.00 H new ATOM 0 HG21 VAL A 43 3.596 19.731 8.694 1.00 15.00 H new ATOM 0 HG22 VAL A 43 5.215 19.351 8.062 1.00 15.00 H new ATOM 0 HG23 VAL A 43 3.931 18.121 8.015 1.00 15.00 H new ATOM 727 N ILE A 44 7.499 17.156 11.491 1.00 15.00 N ATOM 728 CA ILE A 44 8.152 16.827 12.729 1.00 15.00 C ATOM 729 C ILE A 44 8.706 18.127 13.230 1.00 15.00 C ATOM 730 O ILE A 44 8.969 19.005 12.439 1.00 15.00 O ATOM 731 CB ILE A 44 9.234 15.707 12.478 1.00 15.00 C ATOM 732 CG1 ILE A 44 10.121 15.353 13.707 1.00 15.00 C ATOM 733 CG2 ILE A 44 10.080 16.016 11.261 1.00 15.00 C ATOM 734 CD1 ILE A 44 11.288 16.306 13.986 1.00 15.00 C ATOM 0 H ILE A 44 8.113 17.644 10.839 1.00 15.00 H new ATOM 0 HA ILE A 44 7.490 16.402 13.484 1.00 15.00 H new ATOM 0 HB ILE A 44 8.652 14.805 12.288 1.00 15.00 H new ATOM 0 HG12 ILE A 44 9.485 15.319 14.592 1.00 15.00 H new ATOM 0 HG13 ILE A 44 10.522 14.350 13.564 1.00 15.00 H new ATOM 0 HG21 ILE A 44 10.815 15.224 11.118 1.00 15.00 H new ATOM 0 HG22 ILE A 44 9.441 16.081 10.381 1.00 15.00 H new ATOM 0 HG23 ILE A 44 10.594 16.966 11.407 1.00 15.00 H new ATOM 0 HD11 ILE A 44 11.836 15.963 14.863 1.00 15.00 H new ATOM 0 HD12 ILE A 44 11.956 16.325 13.125 1.00 15.00 H new ATOM 0 HD13 ILE A 44 10.903 17.309 14.169 1.00 15.00 H new ATOM 746 N ASP A 45 8.785 18.315 14.524 1.00 15.00 N ATOM 747 CA ASP A 45 9.176 19.628 14.987 1.00 15.00 C ATOM 748 C ASP A 45 10.160 19.626 16.151 1.00 15.00 C ATOM 749 O ASP A 45 11.320 19.944 15.947 1.00 15.00 O ATOM 750 CB ASP A 45 7.927 20.456 15.340 1.00 15.00 C ATOM 751 CG ASP A 45 8.244 21.894 15.690 1.00 15.00 C ATOM 752 OD1 ASP A 45 8.348 22.736 14.761 1.00 15.00 O ATOM 753 OD2 ASP A 45 8.370 22.226 16.889 1.00 15.00 O ATOM 0 H ASP A 45 8.596 17.618 15.245 1.00 15.00 H new ATOM 0 HA ASP A 45 9.714 20.086 14.157 1.00 15.00 H new ATOM 0 HB2 ASP A 45 7.237 20.438 14.497 1.00 15.00 H new ATOM 0 HB3 ASP A 45 7.415 19.989 16.181 1.00 15.00 H new ATOM 758 N ASP A 46 9.694 19.083 17.290 1.00 15.00 N ATOM 759 CA ASP A 46 10.226 19.294 18.628 1.00 15.00 C ATOM 760 C ASP A 46 11.710 19.583 18.702 1.00 15.00 C ATOM 761 O ASP A 46 12.146 20.702 18.399 1.00 15.00 O ATOM 762 CB ASP A 46 9.759 18.199 19.614 1.00 15.00 C ATOM 763 CG ASP A 46 10.176 18.433 21.052 1.00 15.00 C ATOM 764 OD1 ASP A 46 9.471 19.159 21.773 1.00 15.00 O ATOM 765 OD2 ASP A 46 11.207 17.876 21.480 1.00 15.00 O ATOM 0 H ASP A 46 8.892 18.452 17.290 1.00 15.00 H new ATOM 0 HA ASP A 46 9.783 20.233 18.958 1.00 15.00 H new ATOM 0 HB2 ASP A 46 8.672 18.128 19.571 1.00 15.00 H new ATOM 0 HB3 ASP A 46 10.155 17.238 19.285 1.00 15.00 H new ATOM 770 N SER A 47 12.481 18.655 19.111 1.00 15.00 N ATOM 771 CA SER A 47 13.903 18.933 19.266 1.00 15.00 C ATOM 772 C SER A 47 14.790 18.816 18.028 1.00 15.00 C ATOM 773 O SER A 47 14.598 17.958 17.177 1.00 15.00 O ATOM 774 CB SER A 47 14.484 18.061 20.410 1.00 15.00 C ATOM 775 OG SER A 47 15.861 18.345 20.662 1.00 15.00 O ATOM 0 H SER A 47 12.188 17.707 19.347 1.00 15.00 H new ATOM 0 HA SER A 47 13.929 19.998 19.496 1.00 15.00 H new ATOM 0 HB2 SER A 47 13.908 18.229 21.320 1.00 15.00 H new ATOM 0 HB3 SER A 47 14.374 17.008 20.153 1.00 15.00 H new ATOM 0 HG SER A 47 16.400 17.551 20.464 1.00 15.00 H new ATOM 781 N LYS A 48 15.589 19.866 17.912 1.00 15.00 N ATOM 782 CA LYS A 48 16.879 20.035 17.169 1.00 15.00 C ATOM 783 C LYS A 48 16.717 20.714 15.840 1.00 15.00 C ATOM 784 O LYS A 48 15.611 20.821 15.322 1.00 15.00 O ATOM 785 CB LYS A 48 17.779 18.755 17.012 1.00 15.00 C ATOM 786 CG LYS A 48 17.300 17.739 15.966 1.00 15.00 C ATOM 787 CD LYS A 48 18.198 16.491 15.820 1.00 15.00 C ATOM 788 CE LYS A 48 19.588 16.779 15.236 1.00 15.00 C ATOM 789 NZ LYS A 48 20.558 17.308 16.225 1.00 15.00 N ATOM 0 H LYS A 48 15.340 20.736 18.384 1.00 15.00 H new ATOM 0 HA LYS A 48 17.427 20.691 17.845 1.00 15.00 H new ATOM 0 HB2 LYS A 48 18.789 19.071 16.751 1.00 15.00 H new ATOM 0 HB3 LYS A 48 17.841 18.254 17.978 1.00 15.00 H new ATOM 0 HG2 LYS A 48 16.292 17.416 16.228 1.00 15.00 H new ATOM 0 HG3 LYS A 48 17.234 18.237 14.999 1.00 15.00 H new ATOM 0 HD2 LYS A 48 18.317 16.027 16.799 1.00 15.00 H new ATOM 0 HD3 LYS A 48 17.692 15.766 15.183 1.00 15.00 H new ATOM 0 HE2 LYS A 48 19.988 15.861 14.805 1.00 15.00 H new ATOM 0 HE3 LYS A 48 19.487 17.496 14.421 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 21.521 17.029 15.950 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 20.493 18.346 16.254 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 20.341 16.921 17.166 1.00 15.00 H new ATOM 803 N VAL A 49 17.813 21.237 15.322 1.00 15.00 N ATOM 804 CA VAL A 49 17.951 21.691 13.966 1.00 15.00 C ATOM 805 C VAL A 49 17.503 20.647 12.954 1.00 15.00 C ATOM 806 O VAL A 49 17.718 19.456 13.166 1.00 15.00 O ATOM 807 CB VAL A 49 19.525 21.808 13.715 1.00 15.00 C ATOM 808 CG1 VAL A 49 19.818 22.507 12.396 1.00 15.00 C ATOM 809 CG2 VAL A 49 20.231 22.555 14.848 1.00 15.00 C ATOM 0 H VAL A 49 18.666 21.359 15.867 1.00 15.00 H new ATOM 0 HA VAL A 49 17.367 22.604 13.846 1.00 15.00 H new ATOM 0 HB VAL A 49 19.910 20.789 13.679 1.00 15.00 H new ATOM 0 HG11 VAL A 49 20.896 22.573 12.251 1.00 15.00 H new ATOM 0 HG12 VAL A 49 19.376 21.939 11.577 1.00 15.00 H new ATOM 0 HG13 VAL A 49 19.392 23.510 12.413 1.00 15.00 H new ATOM 0 HG21 VAL A 49 21.299 22.611 14.637 1.00 15.00 H new ATOM 0 HG22 VAL A 49 19.823 23.563 14.929 1.00 15.00 H new ATOM 0 HG23 VAL A 49 20.075 22.024 15.787 1.00 15.00 H new ATOM 819 N ASN A 50 16.896 21.092 11.869 1.00 15.00 N ATOM 820 CA ASN A 50 16.456 20.212 10.769 1.00 15.00 C ATOM 821 C ASN A 50 17.614 19.362 10.186 1.00 15.00 C ATOM 822 O ASN A 50 17.414 18.235 9.758 1.00 15.00 O ATOM 823 CB ASN A 50 15.778 21.039 9.655 1.00 15.00 C ATOM 824 CG ASN A 50 15.241 20.209 8.472 1.00 15.00 C ATOM 825 OD1 ASN A 50 15.222 20.688 7.343 1.00 15.00 O ATOM 826 ND2 ASN A 50 14.783 19.000 8.713 1.00 15.00 N ATOM 0 H ASN A 50 16.687 22.078 11.712 1.00 15.00 H new ATOM 0 HA ASN A 50 15.732 19.515 11.190 1.00 15.00 H new ATOM 0 HB2 ASN A 50 14.952 21.602 10.091 1.00 15.00 H new ATOM 0 HB3 ASN A 50 16.495 21.767 9.275 1.00 15.00 H new ATOM 0 HD21 ASN A 50 14.401 18.438 7.952 1.00 15.00 H new ATOM 0 HD22 ASN A 50 14.810 18.624 9.661 1.00 15.00 H new ATOM 833 N ILE A 51 18.818 19.878 10.189 1.00 15.00 N ATOM 834 CA ILE A 51 19.914 19.118 9.605 1.00 15.00 C ATOM 835 C ILE A 51 20.589 18.239 10.690 1.00 15.00 C ATOM 836 O ILE A 51 20.701 18.634 11.845 1.00 15.00 O ATOM 837 CB ILE A 51 20.868 19.935 8.686 1.00 15.00 C ATOM 838 CG1 ILE A 51 21.982 19.070 8.077 1.00 15.00 C ATOM 839 CG2 ILE A 51 21.460 21.114 9.446 1.00 15.00 C ATOM 840 CD1 ILE A 51 22.838 19.802 7.066 1.00 15.00 C ATOM 0 H ILE A 51 19.068 20.789 10.573 1.00 15.00 H new ATOM 0 HA ILE A 51 19.490 18.430 8.874 1.00 15.00 H new ATOM 0 HB ILE A 51 20.269 20.310 7.857 1.00 15.00 H new ATOM 0 HG12 ILE A 51 22.620 18.698 8.879 1.00 15.00 H new ATOM 0 HG13 ILE A 51 21.533 18.200 7.598 1.00 15.00 H new ATOM 0 HG21 ILE A 51 22.125 21.674 8.788 1.00 15.00 H new ATOM 0 HG22 ILE A 51 20.657 21.765 9.790 1.00 15.00 H new ATOM 0 HG23 ILE A 51 22.023 20.748 10.304 1.00 15.00 H new ATOM 0 HD11 ILE A 51 23.602 19.127 6.680 1.00 15.00 H new ATOM 0 HD12 ILE A 51 22.213 20.150 6.244 1.00 15.00 H new ATOM 0 HD13 ILE A 51 23.317 20.656 7.545 1.00 15.00 H new ATOM 852 N GLU A 52 20.942 17.026 10.241 1.00 15.00 N ATOM 853 CA GLU A 52 21.392 15.804 10.970 1.00 15.00 C ATOM 854 C GLU A 52 20.244 14.839 10.827 1.00 15.00 C ATOM 855 O GLU A 52 20.424 13.726 10.414 1.00 15.00 O ATOM 856 CB GLU A 52 21.846 15.937 12.416 1.00 15.00 C ATOM 857 CG GLU A 52 23.074 16.771 12.673 1.00 15.00 C ATOM 858 CD GLU A 52 23.415 16.719 14.128 1.00 15.00 C ATOM 859 OE1 GLU A 52 22.894 17.551 14.905 1.00 15.00 O ATOM 860 OE2 GLU A 52 24.144 15.782 14.549 1.00 15.00 O ATOM 0 H GLU A 52 20.920 16.843 9.238 1.00 15.00 H new ATOM 0 HA GLU A 52 22.330 15.478 10.520 1.00 15.00 H new ATOM 0 HB2 GLU A 52 21.023 16.360 12.992 1.00 15.00 H new ATOM 0 HB3 GLU A 52 22.028 14.936 12.807 1.00 15.00 H new ATOM 0 HG2 GLU A 52 23.909 16.400 12.079 1.00 15.00 H new ATOM 0 HG3 GLU A 52 22.897 17.802 12.366 1.00 15.00 H new ATOM 867 N GLU A 53 19.058 15.335 11.133 1.00 15.00 N ATOM 868 CA GLU A 53 17.783 14.667 10.769 1.00 15.00 C ATOM 869 C GLU A 53 17.772 14.443 9.268 1.00 15.00 C ATOM 870 O GLU A 53 17.184 13.476 8.775 1.00 15.00 O ATOM 871 CB GLU A 53 16.639 15.583 11.023 1.00 15.00 C ATOM 872 CG GLU A 53 16.402 16.067 12.411 1.00 15.00 C ATOM 873 CD GLU A 53 15.193 16.976 12.414 1.00 15.00 C ATOM 874 OE1 GLU A 53 14.793 17.470 11.303 1.00 15.00 O ATOM 875 OE2 GLU A 53 14.618 17.207 13.477 1.00 15.00 O ATOM 0 H GLU A 53 18.932 16.211 11.640 1.00 15.00 H new ATOM 0 HA GLU A 53 17.700 13.745 11.344 1.00 15.00 H new ATOM 0 HB2 GLU A 53 16.769 16.458 10.386 1.00 15.00 H new ATOM 0 HB3 GLU A 53 15.732 15.078 10.690 1.00 15.00 H new ATOM 0 HG2 GLU A 53 16.241 15.223 13.082 1.00 15.00 H new ATOM 0 HG3 GLU A 53 17.277 16.603 12.778 1.00 15.00 H new ATOM 882 N LEU A 54 18.434 15.386 8.571 1.00 15.00 N ATOM 883 CA LEU A 54 18.692 15.370 7.121 1.00 15.00 C ATOM 884 C LEU A 54 19.300 14.044 6.668 1.00 15.00 C ATOM 885 O LEU A 54 19.353 13.759 5.466 1.00 15.00 O ATOM 886 CB LEU A 54 19.657 16.511 6.751 1.00 15.00 C ATOM 887 CG LEU A 54 19.129 17.660 5.861 1.00 15.00 C ATOM 888 CD1 LEU A 54 18.758 17.158 4.483 1.00 15.00 C ATOM 889 CD2 LEU A 54 17.953 18.377 6.498 1.00 15.00 C ATOM 0 H LEU A 54 18.820 16.215 9.024 1.00 15.00 H new ATOM 0 HA LEU A 54 17.735 15.501 6.617 1.00 15.00 H new ATOM 0 HB2 LEU A 54 20.023 16.951 7.679 1.00 15.00 H new ATOM 0 HB3 LEU A 54 20.517 16.069 6.247 1.00 15.00 H new ATOM 0 HG LEU A 54 19.941 18.380 5.760 1.00 15.00 H new ATOM 0 HD11 LEU A 54 18.390 17.988 3.880 1.00 15.00 H new ATOM 0 HD12 LEU A 54 19.636 16.724 4.005 1.00 15.00 H new ATOM 0 HD13 LEU A 54 17.980 16.400 4.569 1.00 15.00 H new ATOM 0 HD21 LEU A 54 17.614 19.176 5.839 1.00 15.00 H new ATOM 0 HD22 LEU A 54 17.139 17.670 6.659 1.00 15.00 H new ATOM 0 HD23 LEU A 54 18.260 18.801 7.454 1.00 15.00 H new ATOM 901 N LYS A 55 19.843 13.277 7.608 1.00 15.00 N ATOM 902 CA LYS A 55 20.345 11.976 7.310 1.00 15.00 C ATOM 903 C LYS A 55 19.203 10.992 7.014 1.00 15.00 C ATOM 904 O LYS A 55 19.204 10.457 5.910 1.00 15.00 O ATOM 905 CB LYS A 55 21.351 11.468 8.350 1.00 15.00 C ATOM 906 CG LYS A 55 21.761 10.011 8.203 1.00 15.00 C ATOM 907 CD LYS A 55 22.626 9.740 6.995 1.00 15.00 C ATOM 908 CE LYS A 55 22.929 8.253 6.889 1.00 15.00 C ATOM 909 NZ LYS A 55 23.535 7.711 8.131 1.00 15.00 N ATOM 0 H LYS A 55 19.939 13.553 8.585 1.00 15.00 H new ATOM 0 HA LYS A 55 20.926 12.055 6.391 1.00 15.00 H new ATOM 0 HB2 LYS A 55 22.247 12.087 8.297 1.00 15.00 H new ATOM 0 HB3 LYS A 55 20.924 11.609 9.343 1.00 15.00 H new ATOM 0 HG2 LYS A 55 22.298 9.702 9.100 1.00 15.00 H new ATOM 0 HG3 LYS A 55 20.864 9.395 8.141 1.00 15.00 H new ATOM 0 HD2 LYS A 55 22.119 10.081 6.092 1.00 15.00 H new ATOM 0 HD3 LYS A 55 23.556 10.304 7.071 1.00 15.00 H new ATOM 0 HE2 LYS A 55 22.008 7.712 6.670 1.00 15.00 H new ATOM 0 HE3 LYS A 55 23.606 8.081 6.052 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 23.938 6.772 7.939 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 24.287 8.351 8.458 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 22.805 7.630 8.867 1.00 15.00 H new ATOM 923 N GLU A 56 18.247 10.685 7.949 1.00 15.00 N ATOM 924 CA GLU A 56 17.205 9.713 7.495 1.00 15.00 C ATOM 925 C GLU A 56 15.790 10.170 7.083 1.00 15.00 C ATOM 926 O GLU A 56 15.097 9.431 6.379 1.00 15.00 O ATOM 927 CB GLU A 56 17.433 8.208 7.742 1.00 15.00 C ATOM 928 CG GLU A 56 18.668 7.660 7.023 1.00 15.00 C ATOM 929 CD GLU A 56 18.890 6.189 7.189 1.00 15.00 C ATOM 930 OE1 GLU A 56 18.214 5.559 7.999 1.00 15.00 O ATOM 931 OE2 GLU A 56 19.763 5.629 6.491 1.00 15.00 O ATOM 0 H GLU A 56 18.175 11.043 8.901 1.00 15.00 H new ATOM 0 HA GLU A 56 17.578 9.867 6.482 1.00 15.00 H new ATOM 0 HB2 GLU A 56 17.537 8.034 8.813 1.00 15.00 H new ATOM 0 HB3 GLU A 56 16.553 7.655 7.413 1.00 15.00 H new ATOM 0 HG2 GLU A 56 18.580 7.882 5.959 1.00 15.00 H new ATOM 0 HG3 GLU A 56 19.548 8.189 7.388 1.00 15.00 H new ATOM 938 N LYS A 57 15.323 11.383 7.512 1.00 15.00 N ATOM 939 CA LYS A 57 13.990 11.948 6.983 1.00 15.00 C ATOM 940 C LYS A 57 14.144 12.264 5.451 1.00 15.00 C ATOM 941 O LYS A 57 13.206 12.621 4.736 1.00 15.00 O ATOM 942 CB LYS A 57 13.497 13.136 7.734 1.00 15.00 C ATOM 943 CG LYS A 57 13.591 13.055 9.247 1.00 15.00 C ATOM 944 CD LYS A 57 12.793 14.175 9.922 1.00 15.00 C ATOM 945 CE LYS A 57 12.991 15.559 9.267 1.00 15.00 C ATOM 946 NZ LYS A 57 14.379 15.968 9.114 1.00 15.00 N ATOM 0 H LYS A 57 15.803 11.979 8.186 1.00 15.00 H new ATOM 0 HA LYS A 57 13.227 11.185 7.137 1.00 15.00 H new ATOM 0 HB2 LYS A 57 14.058 14.009 7.402 1.00 15.00 H new ATOM 0 HB3 LYS A 57 12.455 13.305 7.463 1.00 15.00 H new ATOM 0 HG2 LYS A 57 13.218 12.088 9.584 1.00 15.00 H new ATOM 0 HG3 LYS A 57 14.636 13.118 9.551 1.00 15.00 H new ATOM 0 HD2 LYS A 57 11.734 13.920 9.898 1.00 15.00 H new ATOM 0 HD3 LYS A 57 13.083 14.234 10.971 1.00 15.00 H new ATOM 0 HE2 LYS A 57 12.519 15.552 8.285 1.00 15.00 H new ATOM 0 HE3 LYS A 57 12.470 16.307 9.865 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 14.459 16.636 8.321 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 14.704 16.428 9.988 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 14.968 15.132 8.923 1.00 15.00 H new ATOM 960 N LEU A 58 15.336 12.051 5.065 1.00 15.00 N ATOM 961 CA LEU A 58 15.814 11.844 3.710 1.00 15.00 C ATOM 962 C LEU A 58 14.980 10.668 3.031 1.00 15.00 C ATOM 963 O LEU A 58 15.113 10.427 1.856 1.00 15.00 O ATOM 964 CB LEU A 58 17.338 11.574 3.787 1.00 15.00 C ATOM 965 CG LEU A 58 18.090 11.006 2.577 1.00 15.00 C ATOM 966 CD1 LEU A 58 19.530 11.446 2.629 1.00 15.00 C ATOM 967 CD2 LEU A 58 18.064 9.484 2.615 1.00 15.00 C ATOM 0 H LEU A 58 16.100 12.008 5.739 1.00 15.00 H new ATOM 0 HA LEU A 58 15.665 12.719 3.077 1.00 15.00 H new ATOM 0 HB2 LEU A 58 17.819 12.516 4.051 1.00 15.00 H new ATOM 0 HB3 LEU A 58 17.502 10.888 4.618 1.00 15.00 H new ATOM 0 HG LEU A 58 17.609 11.367 1.668 1.00 15.00 H new ATOM 0 HD11 LEU A 58 20.065 11.043 1.769 1.00 15.00 H new ATOM 0 HD12 LEU A 58 19.579 12.535 2.609 1.00 15.00 H new ATOM 0 HD13 LEU A 58 19.990 11.079 3.547 1.00 15.00 H new ATOM 0 HD21 LEU A 58 18.600 9.089 1.752 1.00 15.00 H new ATOM 0 HD22 LEU A 58 18.542 9.135 3.530 1.00 15.00 H new ATOM 0 HD23 LEU A 58 17.031 9.137 2.590 1.00 15.00 H new ATOM 979 N LYS A 59 14.127 9.988 3.811 1.00 15.00 N ATOM 980 CA LYS A 59 13.193 8.941 3.431 1.00 15.00 C ATOM 981 C LYS A 59 12.866 8.767 1.915 1.00 15.00 C ATOM 982 O LYS A 59 13.391 7.936 1.344 1.00 15.00 O ATOM 983 CB LYS A 59 11.852 9.250 4.177 1.00 15.00 C ATOM 984 CG LYS A 59 10.771 8.150 4.106 1.00 15.00 C ATOM 985 CD LYS A 59 10.964 6.980 5.100 1.00 15.00 C ATOM 986 CE LYS A 59 12.237 6.167 4.896 1.00 15.00 C ATOM 987 NZ LYS A 59 12.362 5.611 3.531 1.00 15.00 N ATOM 0 H LYS A 59 14.076 10.181 4.811 1.00 15.00 H new ATOM 0 HA LYS A 59 13.684 8.006 3.702 1.00 15.00 H new ATOM 0 HB2 LYS A 59 12.078 9.443 5.226 1.00 15.00 H new ATOM 0 HB3 LYS A 59 11.434 10.170 3.767 1.00 15.00 H new ATOM 0 HG2 LYS A 59 9.798 8.605 4.289 1.00 15.00 H new ATOM 0 HG3 LYS A 59 10.750 7.747 3.093 1.00 15.00 H new ATOM 0 HD2 LYS A 59 10.965 7.380 6.114 1.00 15.00 H new ATOM 0 HD3 LYS A 59 10.107 6.311 5.022 1.00 15.00 H new ATOM 0 HE2 LYS A 59 13.101 6.798 5.104 1.00 15.00 H new ATOM 0 HE3 LYS A 59 12.258 5.350 5.617 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 13.247 5.070 3.456 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 11.555 4.984 3.336 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 12.372 6.388 2.839 1.00 15.00 H new ATOM 1001 N GLY A 60 11.929 9.603 1.352 1.00 15.00 N ATOM 1002 CA GLY A 60 11.509 9.550 -0.141 1.00 15.00 C ATOM 1003 C GLY A 60 11.486 8.081 -0.697 1.00 15.00 C ATOM 1004 O GLY A 60 11.172 7.191 0.064 1.00 15.00 O ATOM 0 H GLY A 60 11.441 10.323 1.884 1.00 15.00 H new ATOM 0 HA2 GLY A 60 10.521 9.996 -0.255 1.00 15.00 H new ATOM 0 HA3 GLY A 60 12.200 10.150 -0.733 1.00 15.00 H new ATOM 1008 N GLU A 61 11.723 7.834 -2.033 1.00 15.00 N ATOM 1009 CA GLU A 61 12.115 6.505 -2.618 1.00 15.00 C ATOM 1010 C GLU A 61 11.533 5.151 -2.265 1.00 15.00 C ATOM 1011 O GLU A 61 10.698 4.983 -1.423 1.00 15.00 O ATOM 1012 CB GLU A 61 13.600 6.416 -2.882 1.00 15.00 C ATOM 1013 CG GLU A 61 13.933 6.435 -4.391 1.00 15.00 C ATOM 1014 CD GLU A 61 13.340 7.609 -5.198 1.00 15.00 C ATOM 1015 OE1 GLU A 61 12.149 8.002 -5.006 1.00 15.00 O ATOM 1016 OE2 GLU A 61 14.031 8.118 -6.083 1.00 15.00 O ATOM 0 H GLU A 61 11.645 8.565 -2.740 1.00 15.00 H new ATOM 0 HA GLU A 61 11.462 6.638 -3.481 1.00 15.00 H new ATOM 0 HB2 GLU A 61 14.104 7.249 -2.391 1.00 15.00 H new ATOM 0 HB3 GLU A 61 13.991 5.500 -2.438 1.00 15.00 H new ATOM 0 HG2 GLU A 61 15.017 6.453 -4.504 1.00 15.00 H new ATOM 0 HG3 GLU A 61 13.582 5.502 -4.832 1.00 15.00 H new ATOM 1023 N VAL A 62 11.867 4.217 -3.202 1.00 15.00 N ATOM 1024 CA VAL A 62 11.775 2.771 -3.047 1.00 15.00 C ATOM 1025 C VAL A 62 12.245 2.364 -1.677 1.00 15.00 C ATOM 1026 O VAL A 62 11.660 1.539 -0.986 1.00 15.00 O ATOM 1027 CB VAL A 62 12.915 2.205 -3.998 1.00 15.00 C ATOM 1028 CG1 VAL A 62 12.968 0.683 -3.961 1.00 15.00 C ATOM 1029 CG2 VAL A 62 12.707 2.678 -5.430 1.00 15.00 C ATOM 0 H VAL A 62 12.221 4.485 -4.120 1.00 15.00 H new ATOM 0 HA VAL A 62 10.757 2.431 -3.239 1.00 15.00 H new ATOM 0 HB VAL A 62 13.866 2.590 -3.629 1.00 15.00 H new ATOM 0 HG11 VAL A 62 13.759 0.330 -4.623 1.00 15.00 H new ATOM 0 HG12 VAL A 62 13.172 0.351 -2.943 1.00 15.00 H new ATOM 0 HG13 VAL A 62 12.011 0.278 -4.290 1.00 15.00 H new ATOM 0 HG21 VAL A 62 13.499 2.279 -6.064 1.00 15.00 H new ATOM 0 HG22 VAL A 62 11.741 2.327 -5.792 1.00 15.00 H new ATOM 0 HG23 VAL A 62 12.732 3.767 -5.461 1.00 15.00 H new ATOM 1039 N ILE A 63 13.341 3.013 -1.328 1.00 15.00 N ATOM 1040 CA ILE A 63 13.972 2.927 -0.065 1.00 15.00 C ATOM 1041 C ILE A 63 14.132 4.323 0.493 1.00 15.00 C ATOM 1042 O ILE A 63 13.232 4.798 1.148 1.00 15.00 O ATOM 1043 CB ILE A 63 15.300 2.049 0.044 1.00 15.00 C ATOM 1044 CG1 ILE A 63 16.482 2.459 -0.908 1.00 15.00 C ATOM 1045 CG2 ILE A 63 14.989 0.573 -0.087 1.00 15.00 C ATOM 1046 CD1 ILE A 63 16.212 2.375 -2.392 1.00 15.00 C ATOM 0 H ILE A 63 13.825 3.643 -1.968 1.00 15.00 H new ATOM 0 HA ILE A 63 13.301 2.335 0.557 1.00 15.00 H new ATOM 0 HB ILE A 63 15.676 2.264 1.044 1.00 15.00 H new ATOM 0 HG12 ILE A 63 16.771 3.483 -0.671 1.00 15.00 H new ATOM 0 HG13 ILE A 63 17.339 1.825 -0.681 1.00 15.00 H new ATOM 0 HG21 ILE A 63 15.912 -0.002 -0.009 1.00 15.00 H new ATOM 0 HG22 ILE A 63 14.306 0.273 0.708 1.00 15.00 H new ATOM 0 HG23 ILE A 63 14.524 0.384 -1.055 1.00 15.00 H new ATOM 0 HD11 ILE A 63 17.102 2.683 -2.942 1.00 15.00 H new ATOM 0 HD12 ILE A 63 15.958 1.349 -2.658 1.00 15.00 H new ATOM 0 HD13 ILE A 63 15.382 3.033 -2.649 1.00 15.00 H new ATOM 1058 N GLU A 64 15.219 5.018 0.229 1.00 15.00 N ATOM 1059 CA GLU A 64 15.431 6.334 0.755 1.00 15.00 C ATOM 1060 C GLU A 64 15.824 7.289 -0.413 1.00 15.00 C ATOM 1061 O GLU A 64 16.383 6.807 -1.402 1.00 15.00 O ATOM 1062 CB GLU A 64 16.719 6.225 1.626 1.00 15.00 C ATOM 1063 CG GLU A 64 16.696 5.154 2.729 1.00 15.00 C ATOM 1064 CD GLU A 64 15.587 5.314 3.743 1.00 15.00 C ATOM 1065 OE1 GLU A 64 15.597 6.276 4.532 1.00 15.00 O ATOM 1066 OE2 GLU A 64 14.691 4.460 3.798 1.00 15.00 O ATOM 0 H GLU A 64 15.979 4.677 -0.360 1.00 15.00 H new ATOM 0 HA GLU A 64 14.547 6.691 1.284 1.00 15.00 H new ATOM 0 HB2 GLU A 64 17.563 6.022 0.967 1.00 15.00 H new ATOM 0 HB3 GLU A 64 16.903 7.194 2.091 1.00 15.00 H new ATOM 0 HG2 GLU A 64 16.604 4.173 2.262 1.00 15.00 H new ATOM 0 HG3 GLU A 64 17.652 5.170 3.252 1.00 15.00 H new ATOM 1073 N GLU A 65 15.578 8.605 -0.312 1.00 15.00 N ATOM 1074 CA GLU A 65 16.012 9.561 -1.366 1.00 15.00 C ATOM 1075 C GLU A 65 16.549 10.867 -0.733 1.00 15.00 C ATOM 1076 O GLU A 65 17.747 10.974 -0.461 1.00 15.00 O ATOM 1077 CB GLU A 65 14.900 9.850 -2.401 1.00 15.00 C ATOM 1078 CG GLU A 65 15.404 10.166 -3.818 1.00 15.00 C ATOM 1079 CD GLU A 65 16.111 11.492 -3.957 1.00 15.00 C ATOM 1080 OE1 GLU A 65 15.436 12.512 -4.144 1.00 15.00 O ATOM 1081 OE2 GLU A 65 17.348 11.546 -3.920 1.00 15.00 O ATOM 0 H GLU A 65 15.089 9.035 0.473 1.00 15.00 H new ATOM 0 HA GLU A 65 16.825 9.086 -1.915 1.00 15.00 H new ATOM 0 HB2 GLU A 65 14.236 8.987 -2.451 1.00 15.00 H new ATOM 0 HB3 GLU A 65 14.303 10.691 -2.047 1.00 15.00 H new ATOM 0 HG2 GLU A 65 16.083 9.373 -4.132 1.00 15.00 H new ATOM 0 HG3 GLU A 65 14.556 10.149 -4.502 1.00 15.00 H new ATOM 1088 N LYS A 66 15.670 11.864 -0.529 1.00 15.00 N ATOM 1089 CA LYS A 66 16.043 13.083 0.159 1.00 15.00 C ATOM 1090 C LYS A 66 14.846 13.732 0.841 1.00 15.00 C ATOM 1091 O LYS A 66 13.682 13.460 0.476 1.00 15.00 O ATOM 1092 CB LYS A 66 16.676 14.129 -0.793 1.00 15.00 C ATOM 1093 CG LYS A 66 15.747 14.709 -1.852 1.00 15.00 C ATOM 1094 CD LYS A 66 16.426 15.843 -2.622 1.00 15.00 C ATOM 1095 CE LYS A 66 17.629 15.376 -3.440 1.00 15.00 C ATOM 1096 NZ LYS A 66 17.245 14.481 -4.550 1.00 15.00 N ATOM 0 H LYS A 66 14.698 11.836 -0.837 1.00 15.00 H new ATOM 0 HA LYS A 66 16.780 12.782 0.903 1.00 15.00 H new ATOM 0 HB2 LYS A 66 17.068 14.949 -0.192 1.00 15.00 H new ATOM 0 HB3 LYS A 66 17.526 13.668 -1.296 1.00 15.00 H new ATOM 0 HG2 LYS A 66 15.447 13.924 -2.546 1.00 15.00 H new ATOM 0 HG3 LYS A 66 14.838 15.081 -1.378 1.00 15.00 H new ATOM 0 HD2 LYS A 66 15.699 16.308 -3.288 1.00 15.00 H new ATOM 0 HD3 LYS A 66 16.749 16.610 -1.918 1.00 15.00 H new ATOM 0 HE2 LYS A 66 18.150 16.245 -3.842 1.00 15.00 H new ATOM 0 HE3 LYS A 66 18.330 14.858 -2.786 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 17.958 13.731 -4.654 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 16.320 14.052 -4.346 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 17.186 15.028 -5.433 1.00 15.00 H new ATOM 1110 N GLU A 67 15.135 14.595 1.790 1.00 15.00 N ATOM 1111 CA GLU A 67 14.146 15.468 2.342 1.00 15.00 C ATOM 1112 C GLU A 67 14.437 16.817 1.747 1.00 15.00 C ATOM 1113 O GLU A 67 15.510 17.379 1.971 1.00 15.00 O ATOM 1114 CB GLU A 67 14.138 15.514 3.908 1.00 15.00 C ATOM 1115 CG GLU A 67 15.377 16.020 4.626 1.00 15.00 C ATOM 1116 CD GLU A 67 15.188 16.040 6.137 1.00 15.00 C ATOM 1117 OE1 GLU A 67 14.592 17.009 6.689 1.00 15.00 O ATOM 1118 OE2 GLU A 67 15.605 15.093 6.812 1.00 15.00 O ATOM 0 H GLU A 67 16.065 14.704 2.195 1.00 15.00 H new ATOM 0 HA GLU A 67 13.147 15.109 2.095 1.00 15.00 H new ATOM 0 HB2 GLU A 67 13.299 16.137 4.217 1.00 15.00 H new ATOM 0 HB3 GLU A 67 13.935 14.505 4.268 1.00 15.00 H new ATOM 0 HG2 GLU A 67 16.227 15.386 4.375 1.00 15.00 H new ATOM 0 HG3 GLU A 67 15.615 17.025 4.276 1.00 15.00 H new ATOM 1125 N ILE A 68 13.588 17.261 0.850 1.00 15.00 N ATOM 1126 CA ILE A 68 13.817 18.497 0.162 1.00 15.00 C ATOM 1127 C ILE A 68 13.735 19.787 1.030 1.00 15.00 C ATOM 1128 O ILE A 68 14.638 20.025 1.821 1.00 15.00 O ATOM 1129 CB ILE A 68 13.096 18.548 -1.238 1.00 15.00 C ATOM 1130 CG1 ILE A 68 13.405 19.838 -2.023 1.00 15.00 C ATOM 1131 CG2 ILE A 68 11.589 18.295 -1.113 1.00 15.00 C ATOM 1132 CD1 ILE A 68 12.835 19.869 -3.426 1.00 15.00 C ATOM 0 H ILE A 68 12.730 16.778 0.583 1.00 15.00 H new ATOM 0 HA ILE A 68 14.881 18.500 -0.075 1.00 15.00 H new ATOM 0 HB ILE A 68 13.511 17.730 -1.827 1.00 15.00 H new ATOM 0 HG12 ILE A 68 13.014 20.690 -1.466 1.00 15.00 H new ATOM 0 HG13 ILE A 68 14.486 19.964 -2.080 1.00 15.00 H new ATOM 0 HG21 ILE A 68 11.130 18.339 -2.100 1.00 15.00 H new ATOM 0 HG22 ILE A 68 11.420 17.310 -0.678 1.00 15.00 H new ATOM 0 HG23 ILE A 68 11.144 19.056 -0.472 1.00 15.00 H new ATOM 0 HD11 ILE A 68 13.100 20.811 -3.906 1.00 15.00 H new ATOM 0 HD12 ILE A 68 13.245 19.040 -4.004 1.00 15.00 H new ATOM 0 HD13 ILE A 68 11.750 19.778 -3.380 1.00 15.00 H new ATOM 1144 N THR A 69 12.671 20.550 0.961 1.00 15.00 N ATOM 1145 CA THR A 69 12.686 21.911 1.544 1.00 15.00 C ATOM 1146 C THR A 69 11.345 22.602 1.615 1.00 15.00 C ATOM 1147 O THR A 69 10.745 22.629 2.683 1.00 15.00 O ATOM 1148 CB THR A 69 13.696 22.883 0.851 1.00 15.00 C ATOM 1149 OG1 THR A 69 13.909 22.525 -0.524 1.00 15.00 O ATOM 1150 CG2 THR A 69 15.013 22.992 1.594 1.00 15.00 C ATOM 0 H THR A 69 11.791 20.279 0.521 1.00 15.00 H new ATOM 0 HA THR A 69 13.011 21.705 2.564 1.00 15.00 H new ATOM 0 HB THR A 69 13.237 23.871 0.880 1.00 15.00 H new ATOM 0 HG1 THR A 69 14.543 23.152 -0.931 1.00 15.00 H new ATOM 0 HG21 THR A 69 15.673 23.680 1.066 1.00 15.00 H new ATOM 0 HG22 THR A 69 14.832 23.365 2.602 1.00 15.00 H new ATOM 0 HG23 THR A 69 15.482 22.010 1.649 1.00 15.00 H new ATOM 1158 N LEU A 70 10.863 23.117 0.470 1.00 15.00 N ATOM 1159 CA LEU A 70 9.799 24.109 0.431 1.00 15.00 C ATOM 1160 C LEU A 70 8.592 23.783 1.283 1.00 15.00 C ATOM 1161 O LEU A 70 8.407 24.313 2.383 1.00 15.00 O ATOM 1162 CB LEU A 70 9.260 24.212 -1.047 1.00 15.00 C ATOM 1163 CG LEU A 70 10.170 24.859 -2.125 1.00 15.00 C ATOM 1164 CD1 LEU A 70 11.382 24.003 -2.474 1.00 15.00 C ATOM 1165 CD2 LEU A 70 9.364 25.166 -3.374 1.00 15.00 C ATOM 0 H LEU A 70 11.208 22.849 -0.452 1.00 15.00 H new ATOM 0 HA LEU A 70 10.249 25.025 0.814 1.00 15.00 H new ATOM 0 HB2 LEU A 70 9.016 23.204 -1.381 1.00 15.00 H new ATOM 0 HB3 LEU A 70 8.326 24.774 -1.021 1.00 15.00 H new ATOM 0 HG LEU A 70 10.555 25.785 -1.699 1.00 15.00 H new ATOM 0 HD11 LEU A 70 11.979 24.509 -3.233 1.00 15.00 H new ATOM 0 HD12 LEU A 70 11.987 23.847 -1.581 1.00 15.00 H new ATOM 0 HD13 LEU A 70 11.048 23.039 -2.858 1.00 15.00 H new ATOM 0 HD21 LEU A 70 10.013 25.620 -4.123 1.00 15.00 H new ATOM 0 HD22 LEU A 70 8.942 24.243 -3.771 1.00 15.00 H new ATOM 0 HD23 LEU A 70 8.558 25.857 -3.126 1.00 15.00 H new ATOM 1177 N GLN A 71 7.854 22.807 0.758 1.00 15.00 N ATOM 1178 CA GLN A 71 6.585 22.275 1.164 1.00 15.00 C ATOM 1179 C GLN A 71 6.241 21.360 0.008 1.00 15.00 C ATOM 1180 O GLN A 71 7.143 20.968 -0.760 1.00 15.00 O ATOM 1181 CB GLN A 71 5.476 23.416 1.039 1.00 15.00 C ATOM 1182 CG GLN A 71 5.499 24.566 2.036 1.00 15.00 C ATOM 1183 CD GLN A 71 4.372 25.548 1.783 1.00 15.00 C ATOM 1184 OE1 GLN A 71 4.518 26.507 1.029 1.00 15.00 O ATOM 1185 NE2 GLN A 71 3.238 25.305 2.381 1.00 15.00 N ATOM 0 H GLN A 71 8.191 22.317 -0.071 1.00 15.00 H new ATOM 0 HA GLN A 71 6.618 21.846 2.166 1.00 15.00 H new ATOM 0 HB2 GLN A 71 5.552 23.843 0.039 1.00 15.00 H new ATOM 0 HB3 GLN A 71 4.499 22.937 1.108 1.00 15.00 H new ATOM 0 HG2 GLN A 71 5.418 24.172 3.049 1.00 15.00 H new ATOM 0 HG3 GLN A 71 6.455 25.085 1.972 1.00 15.00 H new ATOM 0 HE21 GLN A 71 3.151 24.500 3.001 1.00 15.00 H new ATOM 0 HE22 GLN A 71 2.439 25.920 2.228 1.00 15.00 H new ATOM 1194 N GLU A 72 4.999 21.047 -0.140 1.00 15.00 N ATOM 1195 CA GLU A 72 4.468 20.831 -1.468 1.00 15.00 C ATOM 1196 C GLU A 72 3.277 21.755 -1.477 1.00 15.00 C ATOM 1197 O GLU A 72 2.814 22.111 -0.383 1.00 15.00 O ATOM 1198 CB GLU A 72 4.212 19.390 -1.961 1.00 15.00 C ATOM 1199 CG GLU A 72 3.124 18.595 -1.265 1.00 15.00 C ATOM 1200 CD GLU A 72 2.905 17.249 -1.947 1.00 15.00 C ATOM 1201 OE1 GLU A 72 3.779 16.352 -1.849 1.00 15.00 O ATOM 1202 OE2 GLU A 72 1.853 17.079 -2.617 1.00 15.00 O ATOM 0 H GLU A 72 4.330 20.933 0.622 1.00 15.00 H new ATOM 0 HA GLU A 72 5.220 21.049 -2.226 1.00 15.00 H new ATOM 0 HB2 GLU A 72 3.968 19.436 -3.022 1.00 15.00 H new ATOM 0 HB3 GLU A 72 5.145 18.833 -1.872 1.00 15.00 H new ATOM 0 HG2 GLU A 72 3.396 18.437 -0.221 1.00 15.00 H new ATOM 0 HG3 GLU A 72 2.194 19.164 -1.270 1.00 15.00 H new ATOM 1209 N LEU A 73 2.772 22.185 -2.598 1.00 15.00 N ATOM 1210 CA LEU A 73 1.812 23.259 -2.542 1.00 15.00 C ATOM 1211 C LEU A 73 0.421 22.781 -2.249 1.00 15.00 C ATOM 1212 O LEU A 73 -0.307 22.363 -3.152 1.00 15.00 O ATOM 1213 CB LEU A 73 1.827 24.105 -3.841 1.00 15.00 C ATOM 1214 CG LEU A 73 3.063 25.013 -4.071 1.00 15.00 C ATOM 1215 CD1 LEU A 73 4.324 24.224 -4.407 1.00 15.00 C ATOM 1216 CD2 LEU A 73 2.773 26.046 -5.139 1.00 15.00 C ATOM 0 H LEU A 73 2.994 21.829 -3.528 1.00 15.00 H new ATOM 0 HA LEU A 73 2.120 23.892 -1.710 1.00 15.00 H new ATOM 0 HB2 LEU A 73 1.742 23.426 -4.689 1.00 15.00 H new ATOM 0 HB3 LEU A 73 0.937 24.735 -3.846 1.00 15.00 H new ATOM 0 HG LEU A 73 3.259 25.523 -3.128 1.00 15.00 H new ATOM 0 HD11 LEU A 73 5.155 24.913 -4.557 1.00 15.00 H new ATOM 0 HD12 LEU A 73 4.558 23.546 -3.586 1.00 15.00 H new ATOM 0 HD13 LEU A 73 4.161 23.648 -5.318 1.00 15.00 H new ATOM 0 HD21 LEU A 73 3.652 26.674 -5.286 1.00 15.00 H new ATOM 0 HD22 LEU A 73 2.525 25.543 -6.074 1.00 15.00 H new ATOM 0 HD23 LEU A 73 1.933 26.666 -4.827 1.00 15.00 H new ATOM 1228 N ILE A 74 0.060 22.813 -1.000 1.00 15.00 N ATOM 1229 CA ILE A 74 -1.232 22.407 -0.546 1.00 15.00 C ATOM 1230 C ILE A 74 -1.425 23.015 0.824 1.00 15.00 C ATOM 1231 O ILE A 74 -0.355 23.526 1.349 1.00 15.00 O ATOM 1232 CB ILE A 74 -1.372 20.855 -0.484 1.00 15.00 C ATOM 1233 CG1 ILE A 74 -2.794 20.450 -0.089 1.00 15.00 C ATOM 1234 CG2 ILE A 74 -0.347 20.232 0.461 1.00 15.00 C ATOM 1235 CD1 ILE A 74 -3.853 20.908 -1.066 1.00 15.00 C ATOM 0 H ILE A 74 0.675 23.131 -0.251 1.00 15.00 H new ATOM 0 HA ILE A 74 -1.995 22.750 -1.244 1.00 15.00 H new ATOM 0 HB ILE A 74 -1.171 20.470 -1.484 1.00 15.00 H new ATOM 0 HG12 ILE A 74 -2.841 19.365 0.001 1.00 15.00 H new ATOM 0 HG13 ILE A 74 -3.019 20.861 0.895 1.00 15.00 H new ATOM 0 HG21 ILE A 74 -0.477 19.150 0.477 1.00 15.00 H new ATOM 0 HG22 ILE A 74 0.659 20.472 0.116 1.00 15.00 H new ATOM 0 HG23 ILE A 74 -0.490 20.629 1.466 1.00 15.00 H new ATOM 0 HD11 ILE A 74 -4.834 20.584 -0.718 1.00 15.00 H new ATOM 0 HD12 ILE A 74 -3.835 21.995 -1.139 1.00 15.00 H new ATOM 0 HD13 ILE A 74 -3.655 20.476 -2.047 1.00 15.00 H new